data_5389 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5389 _Entry.Title ; 1H, 13C and 15N assignments for the cold shock response protein Yfia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-09 _Entry.Accession_date 2002-06-10 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _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 Alexander Kalinin . . . 5389 2 Alexej Rak . . . 5389 3 Dimitry Shcherbakov . . . 5389 4 Peter Bayer . . . 5389 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5389 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 809 5389 '13C chemical shifts' 490 5389 '15N chemical shifts' 117 5389 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 . . 2002-09-25 2002-06-09 original author . 5389 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5389 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the ribosome-associated cold shock response protein Yfia of Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 335 _Citation.Page_last 336 _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 Alexander Kalinin . . . 5389 1 2 Alexej Rak . . . 5389 1 3 Dimitry Shcherbakov . . . 5389 1 4 Peter Bayer . . . 5389 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cold shock protein' 5389 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Yfia_RaiA _Assembly.Sf_category assembly _Assembly.Sf_framecode Yfia_RaiA _Assembly.Entry_ID 5389 _Assembly.ID 1 _Assembly.Name 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 5389 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 'Yfia subunit 1' 1 $Yfia_monomer . . . native . . . . . 5389 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Yfia system 5389 1 'Yfia, RaiA' abbreviation 5389 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cold shock response protein' 5389 1 'translation inhibitor' 5389 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yfia_monomer _Entity.Sf_category entity _Entity.Sf_framecode Yfia_monomer _Entity.Entry_ID 5389 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cold shock response 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 ; MTMNITSKQMEITPAIRQHV ADRLAKLEKWQTHLINPHII LSKEPQGFVADATINTPNGV LVASGKHEDMYTAINELINK LERQLNKLQHKGEARRAATS VKDANFVEEVEEE ; _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 113 _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 12784.5 _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 5315 . pY . . . . . 99.12 112 100.00 100.00 2.82e-75 . . . . 5389 1 2 no PDB 1L4S . "Solution Structure Of Ribosome Associated Factor Y" . . . . . 99.12 112 100.00 100.00 2.82e-75 . . . . 5389 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 3.24e-76 . . . . 5389 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 " . . . . . 79.65 90 100.00 100.00 1.74e-58 . . . . 5389 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 " . . . . . 79.65 90 100.00 100.00 1.74e-58 . . . . 5389 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 " . . . . . 79.65 90 100.00 100.00 1.74e-58 . . . . 5389 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 " . . . . . 79.65 90 100.00 100.00 1.74e-58 . . . . 5389 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 " . . . . . 79.65 90 100.00 100.00 1.74e-58 . . . . 5389 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 5.69e-76 . . . . 5389 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 5.69e-76 . . . . 5389 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 3.24e-76 . . . . 5389 1 12 no DBJ BAB36883 . "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 13 no DBJ BAG78406 . "putative sigma 54 modulation protein [Escherichia coli SE11]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 14 no DBJ BAI26837 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 99.12 116 100.00 100.00 1.38e-75 . . . . 5389 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 3.24e-76 . . . . 5389 1 16 no EMBL CAA94436 . "URF1 (ORFS54) [Escherichia coli K-12]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 17 no EMBL CAP77041 . "ribosome-associated inhibitor A [Escherichia coli LF82]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 18 no EMBL CAQ32967 . "stationary phase translation inhibitor and ribosome stability factor [Escherichia coli BL21(DE3)]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 19 no EMBL CAQ88030 . "cold shock protein associated with 30S ribosomal subunit [Escherichia fergusonii ATCC 35469]" . . . . . 99.12 114 97.32 99.11 3.21e-73 . . . . 5389 1 20 no EMBL CAQ99546 . "cold shock protein associated with 30S ribosomal subunit [Escherichia coli IAI1]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 21 no GB AAA24328 . "12,785 MW protein (URF1) [Escherichia coli]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 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 3.24e-76 . . . . 5389 1 23 no GB AAG57709 . "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 24 no GB AAN44153 . "putative yhbH sigma 54 modulator [Shigella flexneri 2a str. 301]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 25 no GB AAN81568 . "Protein yfiA [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 26 no REF NP_289151 . "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 27 no REF NP_311487 . "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 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 3.24e-76 . . . . 5389 1 29 no REF NP_708446 . "translation inhibitor protein RaiA [Shigella flexneri 2a str. 301]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 30 no REF NP_755000 . "translation inhibitor protein RaiA [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 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 3.24e-76 . . . . 5389 1 32 no SP P0AD50 . "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli CFT073]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 33 no SP P0AD51 . "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli O157:H7]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 34 no SP P0AD52 . "RecName: Full=Ribosome-associated inhibitor A [Shigella flexneri]" . . . . . 100.00 113 100.00 100.00 3.24e-76 . . . . 5389 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cold shock response protein Yfia' common 5389 1 'protein Y' abbreviation 5389 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5389 1 2 . THR . 5389 1 3 . MET . 5389 1 4 . ASN . 5389 1 5 . ILE . 5389 1 6 . THR . 5389 1 7 . SER . 5389 1 8 . LYS . 5389 1 9 . GLN . 5389 1 10 . MET . 5389 1 11 . GLU . 5389 1 12 . ILE . 5389 1 13 . THR . 5389 1 14 . PRO . 5389 1 15 . ALA . 5389 1 16 . ILE . 5389 1 17 . ARG . 5389 1 18 . GLN . 5389 1 19 . HIS . 5389 1 20 . VAL . 5389 1 21 . ALA . 5389 1 22 . ASP . 5389 1 23 . ARG . 5389 1 24 . LEU . 5389 1 25 . ALA . 5389 1 26 . LYS . 5389 1 27 . LEU . 5389 1 28 . GLU . 5389 1 29 . LYS . 5389 1 30 . TRP . 5389 1 31 . GLN . 5389 1 32 . THR . 5389 1 33 . HIS . 5389 1 34 . LEU . 5389 1 35 . ILE . 5389 1 36 . ASN . 5389 1 37 . PRO . 5389 1 38 . HIS . 5389 1 39 . ILE . 5389 1 40 . ILE . 5389 1 41 . LEU . 5389 1 42 . SER . 5389 1 43 . LYS . 5389 1 44 . GLU . 5389 1 45 . PRO . 5389 1 46 . GLN . 5389 1 47 . GLY . 5389 1 48 . PHE . 5389 1 49 . VAL . 5389 1 50 . ALA . 5389 1 51 . ASP . 5389 1 52 . ALA . 5389 1 53 . THR . 5389 1 54 . ILE . 5389 1 55 . ASN . 5389 1 56 . THR . 5389 1 57 . PRO . 5389 1 58 . ASN . 5389 1 59 . GLY . 5389 1 60 . VAL . 5389 1 61 . LEU . 5389 1 62 . VAL . 5389 1 63 . ALA . 5389 1 64 . SER . 5389 1 65 . GLY . 5389 1 66 . LYS . 5389 1 67 . HIS . 5389 1 68 . GLU . 5389 1 69 . ASP . 5389 1 70 . MET . 5389 1 71 . TYR . 5389 1 72 . THR . 5389 1 73 . ALA . 5389 1 74 . ILE . 5389 1 75 . ASN . 5389 1 76 . GLU . 5389 1 77 . LEU . 5389 1 78 . ILE . 5389 1 79 . ASN . 5389 1 80 . LYS . 5389 1 81 . LEU . 5389 1 82 . GLU . 5389 1 83 . ARG . 5389 1 84 . GLN . 5389 1 85 . LEU . 5389 1 86 . ASN . 5389 1 87 . LYS . 5389 1 88 . LEU . 5389 1 89 . GLN . 5389 1 90 . HIS . 5389 1 91 . LYS . 5389 1 92 . GLY . 5389 1 93 . GLU . 5389 1 94 . ALA . 5389 1 95 . ARG . 5389 1 96 . ARG . 5389 1 97 . ALA . 5389 1 98 . ALA . 5389 1 99 . THR . 5389 1 100 . SER . 5389 1 101 . VAL . 5389 1 102 . LYS . 5389 1 103 . ASP . 5389 1 104 . ALA . 5389 1 105 . ASN . 5389 1 106 . PHE . 5389 1 107 . VAL . 5389 1 108 . GLU . 5389 1 109 . GLU . 5389 1 110 . VAL . 5389 1 111 . GLU . 5389 1 112 . GLU . 5389 1 113 . GLU . 5389 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5389 1 . THR 2 2 5389 1 . MET 3 3 5389 1 . ASN 4 4 5389 1 . ILE 5 5 5389 1 . THR 6 6 5389 1 . SER 7 7 5389 1 . LYS 8 8 5389 1 . GLN 9 9 5389 1 . MET 10 10 5389 1 . GLU 11 11 5389 1 . ILE 12 12 5389 1 . THR 13 13 5389 1 . PRO 14 14 5389 1 . ALA 15 15 5389 1 . ILE 16 16 5389 1 . ARG 17 17 5389 1 . GLN 18 18 5389 1 . HIS 19 19 5389 1 . VAL 20 20 5389 1 . ALA 21 21 5389 1 . ASP 22 22 5389 1 . ARG 23 23 5389 1 . LEU 24 24 5389 1 . ALA 25 25 5389 1 . LYS 26 26 5389 1 . LEU 27 27 5389 1 . GLU 28 28 5389 1 . LYS 29 29 5389 1 . TRP 30 30 5389 1 . GLN 31 31 5389 1 . THR 32 32 5389 1 . HIS 33 33 5389 1 . LEU 34 34 5389 1 . ILE 35 35 5389 1 . ASN 36 36 5389 1 . PRO 37 37 5389 1 . HIS 38 38 5389 1 . ILE 39 39 5389 1 . ILE 40 40 5389 1 . LEU 41 41 5389 1 . SER 42 42 5389 1 . LYS 43 43 5389 1 . GLU 44 44 5389 1 . PRO 45 45 5389 1 . GLN 46 46 5389 1 . GLY 47 47 5389 1 . PHE 48 48 5389 1 . VAL 49 49 5389 1 . ALA 50 50 5389 1 . ASP 51 51 5389 1 . ALA 52 52 5389 1 . THR 53 53 5389 1 . ILE 54 54 5389 1 . ASN 55 55 5389 1 . THR 56 56 5389 1 . PRO 57 57 5389 1 . ASN 58 58 5389 1 . GLY 59 59 5389 1 . VAL 60 60 5389 1 . LEU 61 61 5389 1 . VAL 62 62 5389 1 . ALA 63 63 5389 1 . SER 64 64 5389 1 . GLY 65 65 5389 1 . LYS 66 66 5389 1 . HIS 67 67 5389 1 . GLU 68 68 5389 1 . ASP 69 69 5389 1 . MET 70 70 5389 1 . TYR 71 71 5389 1 . THR 72 72 5389 1 . ALA 73 73 5389 1 . ILE 74 74 5389 1 . ASN 75 75 5389 1 . GLU 76 76 5389 1 . LEU 77 77 5389 1 . ILE 78 78 5389 1 . ASN 79 79 5389 1 . LYS 80 80 5389 1 . LEU 81 81 5389 1 . GLU 82 82 5389 1 . ARG 83 83 5389 1 . GLN 84 84 5389 1 . LEU 85 85 5389 1 . ASN 86 86 5389 1 . LYS 87 87 5389 1 . LEU 88 88 5389 1 . GLN 89 89 5389 1 . HIS 90 90 5389 1 . LYS 91 91 5389 1 . GLY 92 92 5389 1 . GLU 93 93 5389 1 . ALA 94 94 5389 1 . ARG 95 95 5389 1 . ARG 96 96 5389 1 . ALA 97 97 5389 1 . ALA 98 98 5389 1 . THR 99 99 5389 1 . SER 100 100 5389 1 . VAL 101 101 5389 1 . LYS 102 102 5389 1 . ASP 103 103 5389 1 . ALA 104 104 5389 1 . ASN 105 105 5389 1 . PHE 106 106 5389 1 . VAL 107 107 5389 1 . GLU 108 108 5389 1 . GLU 109 109 5389 1 . VAL 110 110 5389 1 . GLU 111 111 5389 1 . GLU 112 112 5389 1 . GLU 113 113 5389 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 5389 _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 $Yfia_monomer . 562 . . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5389 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 5389 _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 $Yfia_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5389 _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 'cold shock response protein Yfia' '[U-13C; U-15N]' . . 1 $Yfia_monomer . . . 0.5 0.8 mM . . . . 5389 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5389 _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 'cold shock response protein Yfia' . . . 1 $Yfia_monomer . . . 0.5 0.8 mM . . . . 5389 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 5389 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.65 0.15 n/a 5389 1 temperature 300 0.2 K 5389 1 stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5389 _Software.ID 1 _Software.Name Aurelia _Software.Version 2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Assignment of 3D-spectra' 5389 1 stop_ save_ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 5389 _Software.ID 2 _Software.Name NDEE _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Assignment of 2D-spectra' 5389 2 details 5389 2 'Spin-Up, Dortmund, Germany' 5389 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5389 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5389 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5389 _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_spectrometer1 Bruker DRX . 500 . . . 5389 1 2 NMR_spectrometer2 Varian INOVA . 600 . . . 5389 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 5389 _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 3D-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 2 3D-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 3 3D-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 4 3D-HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 5 3D-C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 6 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 7 3D-1H,15N-HSQC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 8 3D-1H,15N-HSQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 9 3D-1H,13C-HSQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 10 2D-1H,13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 11 2D-1H,15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 12 2D-1H,1H-DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 13 2D-1H,1H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 1 14 2D-1H,1H-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5389 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 5389 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-HC(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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-1H,15N-HSQC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 3D-1H,15N-HSQC-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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-1H,13C-HSQC-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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 2D-1H,13C-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 11 _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 2D-1H,1H-DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 13 _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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5389 _NMR_spec_expt.ID 14 _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_ #################### # 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 5389 _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 . . . . . . . . . 5389 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5389 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5389 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 5389 _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 ; The ambiguity for the atoms 343 - 350, 360 arises from missing HN resonances of amino acids GLN31, THR32, HIS33, and LEU34 in the 15N-HSQC spectra. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5389 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.05 0.02 . 5 . . . . . . . . 5389 1 2 . 1 1 1 1 MET HE2 H 1 2.05 0.02 . 5 . . . . . . . . 5389 1 3 . 1 1 1 1 MET HE3 H 1 2.05 0.02 . 5 . . . . . . . . 5389 1 4 . 1 1 1 1 MET CE C 13 16.2 0.05 . 5 . . . . . . . . 5389 1 5 . 1 1 2 2 THR HA H 1 4.21 0.02 . 1 . . . . . . . . 5389 1 6 . 1 1 2 2 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 5389 1 7 . 1 1 2 2 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5389 1 8 . 1 1 2 2 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5389 1 9 . 1 1 2 2 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5389 1 10 . 1 1 2 2 THR CB C 13 69.5 0.05 . 1 . . . . . . . . 5389 1 11 . 1 1 2 2 THR CG2 C 13 21.3 0.05 . 1 . . . . . . . . 5389 1 12 . 1 1 3 3 MET H H 1 8.47 0.02 . 5 . . . . . . . . 5389 1 13 . 1 1 3 3 MET HA H 1 4.62 0.02 . 1 . . . . . . . . 5389 1 14 . 1 1 3 3 MET HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5389 1 15 . 1 1 3 3 MET HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5389 1 16 . 1 1 3 3 MET HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5389 1 17 . 1 1 3 3 MET HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5389 1 18 . 1 1 3 3 MET HE1 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 19 . 1 1 3 3 MET HE2 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 20 . 1 1 3 3 MET HE3 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 21 . 1 1 3 3 MET C C 13 174.1 0.05 . 1 . . . . . . . . 5389 1 22 . 1 1 3 3 MET CA C 13 54.9 0.05 . 1 . . . . . . . . 5389 1 23 . 1 1 3 3 MET CB C 13 33.1 0.05 . 1 . . . . . . . . 5389 1 24 . 1 1 3 3 MET CG C 13 31.2 0.05 . 1 . . . . . . . . 5389 1 25 . 1 1 3 3 MET CE C 13 16.9 0.05 . 1 . . . . . . . . 5389 1 26 . 1 1 3 3 MET N N 15 118.2 0.1 . 1 . . . . . . . . 5389 1 27 . 1 1 4 4 ASN H H 1 8.46 0.02 . 1 . . . . . . . . 5389 1 28 . 1 1 4 4 ASN HA H 1 4.93 0.02 . 1 . . . . . . . . 5389 1 29 . 1 1 4 4 ASN HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5389 1 30 . 1 1 4 4 ASN HB3 H 1 2.40 0.02 . 2 . . . . . . . . 5389 1 31 . 1 1 4 4 ASN HD21 H 1 7.66 0.02 . 1 . . . . . . . . 5389 1 32 . 1 1 4 4 ASN HD22 H 1 7.00 0.02 . 1 . . . . . . . . 5389 1 33 . 1 1 4 4 ASN C C 13 173.0 0.05 . 1 . . . . . . . . 5389 1 34 . 1 1 4 4 ASN CA C 13 52.3 0.05 . 1 . . . . . . . . 5389 1 35 . 1 1 4 4 ASN CB C 13 39.9 0.05 . 1 . . . . . . . . 5389 1 36 . 1 1 4 4 ASN CG C 13 177.5 0.05 . 1 . . . . . . . . 5389 1 37 . 1 1 4 4 ASN N N 15 123.9 0.1 . 1 . . . . . . . . 5389 1 38 . 1 1 4 4 ASN ND2 N 15 111.6 0.1 . 1 . . . . . . . . 5389 1 39 . 1 1 5 5 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 5389 1 40 . 1 1 5 5 ILE HA H 1 5.45 0.02 . 1 . . . . . . . . 5389 1 41 . 1 1 5 5 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 5389 1 42 . 1 1 5 5 ILE HG12 H 1 1.32 0.02 . 1 . . . . . . . . 5389 1 43 . 1 1 5 5 ILE HG13 H 1 1.09 0.02 . 1 . . . . . . . . 5389 1 44 . 1 1 5 5 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5389 1 45 . 1 1 5 5 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5389 1 46 . 1 1 5 5 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5389 1 47 . 1 1 5 5 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 5389 1 48 . 1 1 5 5 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 5389 1 49 . 1 1 5 5 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 5389 1 50 . 1 1 5 5 ILE C C 13 174.6 0.05 . 1 . . . . . . . . 5389 1 51 . 1 1 5 5 ILE CA C 13 59.2 0.05 . 1 . . . . . . . . 5389 1 52 . 1 1 5 5 ILE CB C 13 39.8 0.05 . 1 . . . . . . . . 5389 1 53 . 1 1 5 5 ILE CG1 C 13 27.5 0.05 . 1 . . . . . . . . 5389 1 54 . 1 1 5 5 ILE CG2 C 13 16.9 0.05 . 1 . . . . . . . . 5389 1 55 . 1 1 5 5 ILE CD1 C 13 14.8 0.05 . 1 . . . . . . . . 5389 1 56 . 1 1 5 5 ILE N N 15 123.4 0.1 . 1 . . . . . . . . 5389 1 57 . 1 1 6 6 THR H H 1 8.92 0.02 . 1 . . . . . . . . 5389 1 58 . 1 1 6 6 THR HA H 1 4.87 0.02 . 1 . . . . . . . . 5389 1 59 . 1 1 6 6 THR HB H 1 4.30 0.02 . 1 . . . . . . . . 5389 1 60 . 1 1 6 6 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5389 1 61 . 1 1 6 6 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5389 1 62 . 1 1 6 6 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5389 1 63 . 1 1 6 6 THR C C 13 172.4 0.05 . 1 . . . . . . . . 5389 1 64 . 1 1 6 6 THR CA C 13 59.8 0.05 . 1 . . . . . . . . 5389 1 65 . 1 1 6 6 THR CB C 13 72.0 0.05 . 1 . . . . . . . . 5389 1 66 . 1 1 6 6 THR CG2 C 13 21.4 0.05 . 1 . . . . . . . . 5389 1 67 . 1 1 6 6 THR N N 15 117.6 0.1 . 1 . . . . . . . . 5389 1 68 . 1 1 7 7 SER H H 1 8.43 0.02 . 1 . . . . . . . . 5389 1 69 . 1 1 7 7 SER HA H 1 5.13 0.02 . 1 . . . . . . . . 5389 1 70 . 1 1 7 7 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 5389 1 71 . 1 1 7 7 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5389 1 72 . 1 1 7 7 SER C C 13 174.4 0.05 . 1 . . . . . . . . 5389 1 73 . 1 1 7 7 SER CA C 13 57.4 0.05 . 1 . . . . . . . . 5389 1 74 . 1 1 7 7 SER CB C 13 65.8 0.05 . 1 . . . . . . . . 5389 1 75 . 1 1 7 7 SER N N 15 111.1 0.1 . 1 . . . . . . . . 5389 1 76 . 1 1 8 8 LYS H H 1 9.04 0.02 . 1 . . . . . . . . 5389 1 77 . 1 1 8 8 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 5389 1 78 . 1 1 8 8 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5389 1 79 . 1 1 8 8 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5389 1 80 . 1 1 8 8 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 5389 1 81 . 1 1 8 8 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 5389 1 82 . 1 1 8 8 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 5389 1 83 . 1 1 8 8 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 5389 1 84 . 1 1 8 8 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5389 1 85 . 1 1 8 8 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5389 1 86 . 1 1 8 8 LYS C C 13 176.6 0.05 . 1 . . . . . . . . 5389 1 87 . 1 1 8 8 LYS CA C 13 56.3 0.05 . 1 . . . . . . . . 5389 1 88 . 1 1 8 8 LYS CB C 13 33.2 0.05 . 1 . . . . . . . . 5389 1 89 . 1 1 8 8 LYS CG C 13 25.1 0.05 . 1 . . . . . . . . 5389 1 90 . 1 1 8 8 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 5389 1 91 . 1 1 8 8 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5389 1 92 . 1 1 9 9 GLN H H 1 8.47 0.02 . 1 . . . . . . . . 5389 1 93 . 1 1 9 9 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 5389 1 94 . 1 1 9 9 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5389 1 95 . 1 1 9 9 GLN HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5389 1 96 . 1 1 9 9 GLN HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5389 1 97 . 1 1 9 9 GLN HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5389 1 98 . 1 1 9 9 GLN HE21 H 1 7.57 0.02 . 1 . . . . . . . . 5389 1 99 . 1 1 9 9 GLN HE22 H 1 7.00 0.02 . 1 . . . . . . . . 5389 1 100 . 1 1 9 9 GLN C C 13 173.5 0.05 . 1 . . . . . . . . 5389 1 101 . 1 1 9 9 GLN CA C 13 56.5 0.05 . 1 . . . . . . . . 5389 1 102 . 1 1 9 9 GLN CB C 13 30.2 0.05 . 1 . . . . . . . . 5389 1 103 . 1 1 9 9 GLN CG C 13 34.3 0.05 . 1 . . . . . . . . 5389 1 104 . 1 1 9 9 GLN CD C 13 180.2 0.05 . 1 . . . . . . . . 5389 1 105 . 1 1 9 9 GLN N N 15 115.3 0.1 . 1 . . . . . . . . 5389 1 106 . 1 1 9 9 GLN NE2 N 15 110.8 0.1 . 1 . . . . . . . . 5389 1 107 . 1 1 10 10 MET H H 1 7.54 0.02 . 1 . . . . . . . . 5389 1 108 . 1 1 10 10 MET HA H 1 4.70 0.02 . 1 . . . . . . . . 5389 1 109 . 1 1 10 10 MET HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5389 1 110 . 1 1 10 10 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5389 1 111 . 1 1 10 10 MET HG2 H 1 2.57 0.02 . 2 . . . . . . . . 5389 1 112 . 1 1 10 10 MET HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5389 1 113 . 1 1 10 10 MET HE1 H 1 1.92 0.02 . 1 . . . . . . . . 5389 1 114 . 1 1 10 10 MET HE2 H 1 1.92 0.02 . 1 . . . . . . . . 5389 1 115 . 1 1 10 10 MET HE3 H 1 1.92 0.02 . 1 . . . . . . . . 5389 1 116 . 1 1 10 10 MET C C 13 173.7 0.05 . 1 . . . . . . . . 5389 1 117 . 1 1 10 10 MET CA C 13 54.4 0.05 . 1 . . . . . . . . 5389 1 118 . 1 1 10 10 MET CB C 13 34.6 0.05 . 1 . . . . . . . . 5389 1 119 . 1 1 10 10 MET CG C 13 30.1 0.05 . 1 . . . . . . . . 5389 1 120 . 1 1 10 10 MET N N 15 113.5 0.1 . 1 . . . . . . . . 5389 1 121 . 1 1 11 11 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5389 1 122 . 1 1 11 11 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 5389 1 123 . 1 1 11 11 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5389 1 124 . 1 1 11 11 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5389 1 125 . 1 1 11 11 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 126 . 1 1 11 11 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 127 . 1 1 11 11 GLU C C 13 175.7 0.05 . 1 . . . . . . . . 5389 1 128 . 1 1 11 11 GLU CA C 13 55.3 0.05 . 1 . . . . . . . . 5389 1 129 . 1 1 11 11 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 5389 1 130 . 1 1 11 11 GLU CG C 13 35.7 0.05 . 1 . . . . . . . . 5389 1 131 . 1 1 11 11 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 5389 1 132 . 1 1 12 12 ILE H H 1 8.79 0.02 . 1 . . . . . . . . 5389 1 133 . 1 1 12 12 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5389 1 134 . 1 1 12 12 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . 5389 1 135 . 1 1 12 12 ILE HG12 H 1 1.58 0.02 . 2 . . . . . . . . 5389 1 136 . 1 1 12 12 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 5389 1 137 . 1 1 12 12 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5389 1 138 . 1 1 12 12 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5389 1 139 . 1 1 12 12 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5389 1 140 . 1 1 12 12 ILE HD11 H 1 0.60 0.02 . 1 . . . . . . . . 5389 1 141 . 1 1 12 12 ILE HD12 H 1 0.60 0.02 . 1 . . . . . . . . 5389 1 142 . 1 1 12 12 ILE HD13 H 1 0.60 0.02 . 1 . . . . . . . . 5389 1 143 . 1 1 12 12 ILE C C 13 175.3 0.05 . 1 . . . . . . . . 5389 1 144 . 1 1 12 12 ILE CA C 13 59.0 0.05 . 1 . . . . . . . . 5389 1 145 . 1 1 12 12 ILE CB C 13 34.6 0.05 . 1 . . . . . . . . 5389 1 146 . 1 1 12 12 ILE CG1 C 13 25.4 0.05 . 1 . . . . . . . . 5389 1 147 . 1 1 12 12 ILE CG2 C 13 17.4 0.05 . 1 . . . . . . . . 5389 1 148 . 1 1 12 12 ILE CD1 C 13 10.4 0.05 . 1 . . . . . . . . 5389 1 149 . 1 1 12 12 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5389 1 150 . 1 1 13 13 THR H H 1 6.67 0.02 . 1 . . . . . . . . 5389 1 151 . 1 1 13 13 THR HA H 1 4.80 0.02 . 1 . . . . . . . . 5389 1 152 . 1 1 13 13 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 5389 1 153 . 1 1 13 13 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 154 . 1 1 13 13 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 155 . 1 1 13 13 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 156 . 1 1 13 13 THR CA C 13 58.6 0.05 . 1 . . . . . . . . 5389 1 157 . 1 1 13 13 THR CB C 13 68.4 0.05 . 1 . . . . . . . . 5389 1 158 . 1 1 13 13 THR CG2 C 13 21.0 0.05 . 1 . . . . . . . . 5389 1 159 . 1 1 13 13 THR N N 15 116.9 0.1 . 1 . . . . . . . . 5389 1 160 . 1 1 14 14 PRO HA H 1 4.18 0.02 . 1 . . . . . . . . 5389 1 161 . 1 1 14 14 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5389 1 162 . 1 1 14 14 PRO HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 163 . 1 1 14 14 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . 5389 1 164 . 1 1 14 14 PRO HG3 H 1 1.97 0.02 . 1 . . . . . . . . 5389 1 165 . 1 1 14 14 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 5389 1 166 . 1 1 14 14 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . 5389 1 167 . 1 1 14 14 PRO C C 13 178.5 0.05 . 1 . . . . . . . . 5389 1 168 . 1 1 14 14 PRO CA C 13 65.4 0.05 . 1 . . . . . . . . 5389 1 169 . 1 1 14 14 PRO CB C 13 31.4 0.05 . 1 . . . . . . . . 5389 1 170 . 1 1 14 14 PRO CG C 13 27.7 0.05 . 1 . . . . . . . . 5389 1 171 . 1 1 15 15 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 5389 1 172 . 1 1 15 15 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5389 1 173 . 1 1 15 15 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 174 . 1 1 15 15 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 175 . 1 1 15 15 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 176 . 1 1 15 15 ALA C C 13 180.5 0.05 . 1 . . . . . . . . 5389 1 177 . 1 1 15 15 ALA CA C 13 54.9 0.05 . 1 . . . . . . . . 5389 1 178 . 1 1 15 15 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5389 1 179 . 1 1 15 15 ALA N N 15 117.2 0.1 . 1 . . . . . . . . 5389 1 180 . 1 1 16 16 ILE H H 1 7.54 0.02 . 1 . . . . . . . . 5389 1 181 . 1 1 16 16 ILE HA H 1 3.70 0.02 . 1 . . . . . . . . 5389 1 182 . 1 1 16 16 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5389 1 183 . 1 1 16 16 ILE HG12 H 1 1.36 0.02 . 2 . . . . . . . . 5389 1 184 . 1 1 16 16 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 185 . 1 1 16 16 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 186 . 1 1 16 16 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 187 . 1 1 16 16 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 188 . 1 1 16 16 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 189 . 1 1 16 16 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 190 . 1 1 16 16 ILE C C 13 177.2 0.05 . 1 . . . . . . . . 5389 1 191 . 1 1 16 16 ILE CA C 13 65.3 0.05 . 1 . . . . . . . . 5389 1 192 . 1 1 16 16 ILE CB C 13 38.3 0.05 . 1 . . . . . . . . 5389 1 193 . 1 1 16 16 ILE CG1 C 13 29.2 0.05 . 1 . . . . . . . . 5389 1 194 . 1 1 16 16 ILE CG2 C 13 17.2 0.05 . 1 . . . . . . . . 5389 1 195 . 1 1 16 16 ILE CD1 C 13 14.1 0.05 . 1 . . . . . . . . 5389 1 196 . 1 1 16 16 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 5389 1 197 . 1 1 17 17 ARG H H 1 7.95 0.02 . 1 . . . . . . . . 5389 1 198 . 1 1 17 17 ARG HA H 1 3.61 0.02 . 1 . . . . . . . . 5389 1 199 . 1 1 17 17 ARG HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5389 1 200 . 1 1 17 17 ARG HB3 H 1 1.42 0.02 . 2 . . . . . . . . 5389 1 201 . 1 1 17 17 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 5389 1 202 . 1 1 17 17 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 5389 1 203 . 1 1 17 17 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5389 1 204 . 1 1 17 17 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5389 1 205 . 1 1 17 17 ARG C C 13 178.1 0.05 . 1 . . . . . . . . 5389 1 206 . 1 1 17 17 ARG CA C 13 60.2 0.05 . 1 . . . . . . . . 5389 1 207 . 1 1 17 17 ARG CB C 13 29.5 0.05 . 1 . . . . . . . . 5389 1 208 . 1 1 17 17 ARG CG C 13 28.2 0.05 . 1 . . . . . . . . 5389 1 209 . 1 1 17 17 ARG CD C 13 42.8 0.05 . 1 . . . . . . . . 5389 1 210 . 1 1 17 17 ARG N N 15 117.4 0.1 . 1 . . . . . . . . 5389 1 211 . 1 1 18 18 GLN H H 1 8.46 0.02 . 1 . . . . . . . . 5389 1 212 . 1 1 18 18 GLN HA H 1 3.89 0.02 . 1 . . . . . . . . 5389 1 213 . 1 1 18 18 GLN HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5389 1 214 . 1 1 18 18 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5389 1 215 . 1 1 18 18 GLN HG2 H 1 2.40 0.02 . 2 . . . . . . . . 5389 1 216 . 1 1 18 18 GLN HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5389 1 217 . 1 1 18 18 GLN HE21 H 1 7.79 0.02 . 1 . . . . . . . . 5389 1 218 . 1 1 18 18 GLN HE22 H 1 6.82 0.02 . 1 . . . . . . . . 5389 1 219 . 1 1 18 18 GLN C C 13 176.9 0.05 . 1 . . . . . . . . 5389 1 220 . 1 1 18 18 GLN CA C 13 57.8 0.05 . 1 . . . . . . . . 5389 1 221 . 1 1 18 18 GLN CB C 13 28.2 0.05 . 1 . . . . . . . . 5389 1 222 . 1 1 18 18 GLN CG C 13 33.2 0.05 . 1 . . . . . . . . 5389 1 223 . 1 1 18 18 GLN CD C 13 180.4 0.05 . 1 . . . . . . . . 5389 1 224 . 1 1 18 18 GLN N N 15 117.0 0.1 . 1 . . . . . . . . 5389 1 225 . 1 1 18 18 GLN NE2 N 15 113.9 0.1 . 1 . . . . . . . . 5389 1 226 . 1 1 19 19 HIS H H 1 7.93 0.02 . 1 . . . . . . . . 5389 1 227 . 1 1 19 19 HIS HA H 1 4.22 0.02 . 1 . . . . . . . . 5389 1 228 . 1 1 19 19 HIS HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5389 1 229 . 1 1 19 19 HIS HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5389 1 230 . 1 1 19 19 HIS HD2 H 1 6.41 0.02 . 1 . . . . . . . . 5389 1 231 . 1 1 19 19 HIS HE1 H 1 7.75 0.02 . 1 . . . . . . . . 5389 1 232 . 1 1 19 19 HIS C C 13 177.6 0.05 . 1 . . . . . . . . 5389 1 233 . 1 1 19 19 HIS CA C 13 60.1 0.05 . 1 . . . . . . . . 5389 1 234 . 1 1 19 19 HIS CB C 13 30.8 0.05 . 1 . . . . . . . . 5389 1 235 . 1 1 19 19 HIS CD2 C 13 117.0 0.05 . 1 . . . . . . . . 5389 1 236 . 1 1 19 19 HIS CE1 C 13 138.8 0.05 . 1 . . . . . . . . 5389 1 237 . 1 1 19 19 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5389 1 238 . 1 1 20 20 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5389 1 239 . 1 1 20 20 VAL HA H 1 3.15 0.02 . 1 . . . . . . . . 5389 1 240 . 1 1 20 20 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 5389 1 241 . 1 1 20 20 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 5389 1 242 . 1 1 20 20 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5389 1 243 . 1 1 20 20 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 5389 1 244 . 1 1 20 20 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 245 . 1 1 20 20 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 246 . 1 1 20 20 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 247 . 1 1 20 20 VAL C C 13 176.8 0.05 . 1 . . . . . . . . 5389 1 248 . 1 1 20 20 VAL CA C 13 66.9 0.05 . 1 . . . . . . . . 5389 1 249 . 1 1 20 20 VAL CB C 13 31.1 0.05 . 1 . . . . . . . . 5389 1 250 . 1 1 20 20 VAL CG1 C 13 23.1 0.05 . 1 . . . . . . . . 5389 1 251 . 1 1 20 20 VAL CG2 C 13 22.1 0.05 . 1 . . . . . . . . 5389 1 252 . 1 1 20 20 VAL N N 15 115.6 0.1 . 1 . . . . . . . . 5389 1 253 . 1 1 21 21 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 5389 1 254 . 1 1 21 21 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 5389 1 255 . 1 1 21 21 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5389 1 256 . 1 1 21 21 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5389 1 257 . 1 1 21 21 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5389 1 258 . 1 1 21 21 ALA C C 13 180.4 0.05 . 1 . . . . . . . . 5389 1 259 . 1 1 21 21 ALA CA C 13 55.6 0.05 . 1 . . . . . . . . 5389 1 260 . 1 1 21 21 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 5389 1 261 . 1 1 21 21 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 5389 1 262 . 1 1 22 22 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5389 1 263 . 1 1 22 22 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 264 . 1 1 22 22 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5389 1 265 . 1 1 22 22 ASP HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5389 1 266 . 1 1 22 22 ASP C C 13 178.8 0.05 . 1 . . . . . . . . 5389 1 267 . 1 1 22 22 ASP CA C 13 56.8 0.05 . 1 . . . . . . . . 5389 1 268 . 1 1 22 22 ASP CB C 13 40.1 0.05 . 1 . . . . . . . . 5389 1 269 . 1 1 22 22 ASP N N 15 117.4 0.1 . 1 . . . . . . . . 5389 1 270 . 1 1 23 23 ARG H H 1 7.78 0.02 . 1 . . . . . . . . 5389 1 271 . 1 1 23 23 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 5389 1 272 . 1 1 23 23 ARG HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5389 1 273 . 1 1 23 23 ARG HB3 H 1 1.38 0.02 . 2 . . . . . . . . 5389 1 274 . 1 1 23 23 ARG HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5389 1 275 . 1 1 23 23 ARG HG3 H 1 1.47 0.02 . 1 . . . . . . . . 5389 1 276 . 1 1 23 23 ARG HD2 H 1 2.94 0.02 . 1 . . . . . . . . 5389 1 277 . 1 1 23 23 ARG HD3 H 1 2.94 0.02 . 1 . . . . . . . . 5389 1 278 . 1 1 23 23 ARG C C 13 179.5 0.05 . 1 . . . . . . . . 5389 1 279 . 1 1 23 23 ARG CA C 13 56.9 0.05 . 1 . . . . . . . . 5389 1 280 . 1 1 23 23 ARG CB C 13 28.7 0.05 . 1 . . . . . . . . 5389 1 281 . 1 1 23 23 ARG CG C 13 25.9 0.05 . 1 . . . . . . . . 5389 1 282 . 1 1 23 23 ARG CD C 13 41.3 0.05 . 1 . . . . . . . . 5389 1 283 . 1 1 23 23 ARG N N 15 117.0 0.1 . 1 . . . . . . . . 5389 1 284 . 1 1 24 24 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 5389 1 285 . 1 1 24 24 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5389 1 286 . 1 1 24 24 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 5389 1 287 . 1 1 24 24 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5389 1 288 . 1 1 24 24 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5389 1 289 . 1 1 24 24 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5389 1 290 . 1 1 24 24 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5389 1 291 . 1 1 24 24 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5389 1 292 . 1 1 24 24 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 5389 1 293 . 1 1 24 24 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 5389 1 294 . 1 1 24 24 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 5389 1 295 . 1 1 24 24 LEU C C 13 179.0 0.05 . 1 . . . . . . . . 5389 1 296 . 1 1 24 24 LEU CA C 13 57.0 0.05 . 1 . . . . . . . . 5389 1 297 . 1 1 24 24 LEU CB C 13 41.0 0.05 . 1 . . . . . . . . 5389 1 298 . 1 1 24 24 LEU CG C 13 25.9 0.05 . 1 . . . . . . . . 5389 1 299 . 1 1 24 24 LEU CD1 C 13 22.3 0.05 . 1 . . . . . . . . 5389 1 300 . 1 1 24 24 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 5389 1 301 . 1 1 25 25 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 5389 1 302 . 1 1 25 25 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 5389 1 303 . 1 1 25 25 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5389 1 304 . 1 1 25 25 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5389 1 305 . 1 1 25 25 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5389 1 306 . 1 1 25 25 ALA C C 13 179.2 0.05 . 1 . . . . . . . . 5389 1 307 . 1 1 25 25 ALA CA C 13 54.1 0.05 . 1 . . . . . . . . 5389 1 308 . 1 1 25 25 ALA CB C 13 17.7 0.05 . 1 . . . . . . . . 5389 1 309 . 1 1 25 25 ALA N N 15 119.7 0.1 . 1 . . . . . . . . 5389 1 310 . 1 1 26 26 LYS H H 1 7.15 0.02 . 1 . . . . . . . . 5389 1 311 . 1 1 26 26 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5389 1 312 . 1 1 26 26 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5389 1 313 . 1 1 26 26 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5389 1 314 . 1 1 26 26 LYS HG2 H 1 1.50 0.02 . 1 . . . . . . . . 5389 1 315 . 1 1 26 26 LYS HG3 H 1 1.50 0.02 . 1 . . . . . . . . 5389 1 316 . 1 1 26 26 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 317 . 1 1 26 26 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 318 . 1 1 26 26 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5389 1 319 . 1 1 26 26 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5389 1 320 . 1 1 26 26 LYS C C 13 177.6 0.05 . 1 . . . . . . . . 5389 1 321 . 1 1 26 26 LYS CA C 13 57.0 0.05 . 1 . . . . . . . . 5389 1 322 . 1 1 26 26 LYS CB C 13 31.8 0.05 . 1 . . . . . . . . 5389 1 323 . 1 1 26 26 LYS CG C 13 24.8 0.05 . 1 . . . . . . . . 5389 1 324 . 1 1 26 26 LYS CD C 13 28.3 0.05 . 1 . . . . . . . . 5389 1 325 . 1 1 26 26 LYS N N 15 114.4 0.1 . 1 . . . . . . . . 5389 1 326 . 1 1 27 27 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 5389 1 327 . 1 1 27 27 LEU HA H 1 4.48 0.02 . 1 . . . . . . . . 5389 1 328 . 1 1 27 27 LEU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5389 1 329 . 1 1 27 27 LEU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5389 1 330 . 1 1 27 27 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 5389 1 331 . 1 1 27 27 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 5389 1 332 . 1 1 27 27 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 5389 1 333 . 1 1 27 27 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 5389 1 334 . 1 1 27 27 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 335 . 1 1 27 27 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 336 . 1 1 27 27 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 337 . 1 1 27 27 LEU C C 13 177.4 0.05 . 1 . . . . . . . . 5389 1 338 . 1 1 27 27 LEU CA C 13 54.7 0.05 . 1 . . . . . . . . 5389 1 339 . 1 1 27 27 LEU CB C 13 40.4 0.05 . 1 . . . . . . . . 5389 1 340 . 1 1 27 27 LEU CG C 13 25.5 0.05 . 1 . . . . . . . . 5389 1 341 . 1 1 27 27 LEU N N 15 118.7 0.1 . 1 . . . . . . . . 5389 1 342 . 1 1 28 28 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 5389 1 343 . 1 1 28 28 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 5389 1 344 . 1 1 28 28 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 345 . 1 1 28 28 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 346 . 1 1 28 28 GLU HG2 H 1 2.40 0.02 . 1 . . . . . . . . 5389 1 347 . 1 1 28 28 GLU HG3 H 1 2.40 0.02 . 1 . . . . . . . . 5389 1 348 . 1 1 28 28 GLU CA C 13 58.5 0.05 . 1 . . . . . . . . 5389 1 349 . 1 1 28 28 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 5389 1 350 . 1 1 28 28 GLU CG C 13 31.3 0.05 . 1 . . . . . . . . 5389 1 351 . 1 1 28 28 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5389 1 352 . 1 1 29 29 LYS H H 1 7.78 0.02 . 1 . . . . . . . . 5389 1 353 . 1 1 29 29 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 5389 1 354 . 1 1 29 29 LYS HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5389 1 355 . 1 1 29 29 LYS HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5389 1 356 . 1 1 29 29 LYS HG2 H 1 0.93 0.02 . 2 . . . . . . . . 5389 1 357 . 1 1 29 29 LYS HG3 H 1 0.82 0.02 . 2 . . . . . . . . 5389 1 358 . 1 1 29 29 LYS C C 13 176.9 0.05 . 1 . . . . . . . . 5389 1 359 . 1 1 29 29 LYS CA C 13 56.9 0.05 . 1 . . . . . . . . 5389 1 360 . 1 1 29 29 LYS CB C 13 29.1 0.05 . 1 . . . . . . . . 5389 1 361 . 1 1 29 29 LYS CG C 13 23.9 0.05 . 1 . . . . . . . . 5389 1 362 . 1 1 29 29 LYS CD C 13 28.6 0.05 . 1 . . . . . . . . 5389 1 363 . 1 1 29 29 LYS N N 15 117.1 0.1 . 1 . . . . . . . . 5389 1 364 . 1 1 30 30 TRP H H 1 7.65 0.02 . 1 . . . . . . . . 5389 1 365 . 1 1 30 30 TRP HA H 1 4.70 0.02 . 1 . . . . . . . . 5389 1 366 . 1 1 30 30 TRP HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5389 1 367 . 1 1 30 30 TRP HB3 H 1 3.07 0.02 . 2 . . . . . . . . 5389 1 368 . 1 1 30 30 TRP HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5389 1 369 . 1 1 30 30 TRP HE1 H 1 10.41 0.02 . 1 . . . . . . . . 5389 1 370 . 1 1 30 30 TRP HE3 H 1 7.34 0.02 . 1 . . . . . . . . 5389 1 371 . 1 1 30 30 TRP HZ2 H 1 7.42 0.02 . 1 . . . . . . . . 5389 1 372 . 1 1 30 30 TRP HZ3 H 1 6.90 0.02 . 1 . . . . . . . . 5389 1 373 . 1 1 30 30 TRP HH2 H 1 7.10 0.02 . 1 . . . . . . . . 5389 1 374 . 1 1 30 30 TRP CA C 13 57.0 0.05 . 1 . . . . . . . . 5389 1 375 . 1 1 30 30 TRP CB C 13 29.5 0.05 . 1 . . . . . . . . 5389 1 376 . 1 1 30 30 TRP CD1 C 13 126.8 0.05 . 1 . . . . . . . . 5389 1 377 . 1 1 30 30 TRP CZ2 C 13 114.2 0.05 . 1 . . . . . . . . 5389 1 378 . 1 1 30 30 TRP CZ3 C 13 121.0 0.05 . 1 . . . . . . . . 5389 1 379 . 1 1 30 30 TRP CH2 C 13 124.2 0.05 . 1 . . . . . . . . 5389 1 380 . 1 1 30 30 TRP N N 15 117.0 0.1 . 1 . . . . . . . . 5389 1 381 . 1 1 31 31 GLN HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5389 1 382 . 1 1 31 31 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5389 1 383 . 1 1 31 31 GLN HG2 H 1 2.14 0.02 . 1 . . . . . . . . 5389 1 384 . 1 1 31 31 GLN HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5389 1 385 . 1 1 31 31 GLN CA C 13 54.3 0.05 . 9 . . . . . . . . 5389 1 386 . 1 1 32 32 THR HA H 1 4.22 0.02 . 5 . . . . . . . . 5389 1 387 . 1 1 32 32 THR HB H 1 4.09 0.02 . 5 . . . . . . . . 5389 1 388 . 1 1 32 32 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 5389 1 389 . 1 1 32 32 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 5389 1 390 . 1 1 32 32 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 5389 1 391 . 1 1 32 32 THR CA C 13 62.2 0.05 . 5 . . . . . . . . 5389 1 392 . 1 1 32 32 THR CB C 13 69.5 0.05 . 5 . . . . . . . . 5389 1 393 . 1 1 32 32 THR CG2 C 13 21.3 0.05 . 5 . . . . . . . . 5389 1 394 . 1 1 33 33 HIS H H 1 7.89 0.02 . 5 . . . . . . . . 5389 1 395 . 1 1 33 33 HIS HA H 1 4.00 0.02 . 1 . . . . . . . . 5389 1 396 . 1 1 33 33 HIS HB2 H 1 3.16 0.02 . 1 . . . . . . . . 5389 1 397 . 1 1 33 33 HIS HB3 H 1 3.08 0.02 . 1 . . . . . . . . 5389 1 398 . 1 1 33 33 HIS HD2 H 1 7.00 0.02 . 1 . . . . . . . . 5389 1 399 . 1 1 33 33 HIS HE1 H 1 7.90 0.02 . 1 . . . . . . . . 5389 1 400 . 1 1 33 33 HIS CA C 13 58.5 0.05 . 1 . . . . . . . . 5389 1 401 . 1 1 33 33 HIS CB C 13 30.4 0.05 . 1 . . . . . . . . 5389 1 402 . 1 1 33 33 HIS CD2 C 13 119.0 0.05 . 1 . . . . . . . . 5389 1 403 . 1 1 33 33 HIS CE1 C 13 138.2 0.05 . 1 . . . . . . . . 5389 1 404 . 1 1 33 33 HIS N N 15 122.3 0.1 . 5 . . . . . . . . 5389 1 405 . 1 1 34 34 LEU HA H 1 4.45 0.02 . 1 . . . . . . . . 5389 1 406 . 1 1 34 34 LEU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5389 1 407 . 1 1 34 34 LEU HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5389 1 408 . 1 1 34 34 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5389 1 409 . 1 1 34 34 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5389 1 410 . 1 1 34 34 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5389 1 411 . 1 1 34 34 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 412 . 1 1 34 34 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 413 . 1 1 34 34 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 414 . 1 1 34 34 LEU C C 13 175.1 0.05 . 1 . . . . . . . . 5389 1 415 . 1 1 34 34 LEU CA C 13 55.8 0.05 . 1 . . . . . . . . 5389 1 416 . 1 1 34 34 LEU CB C 13 43.0 0.05 . 1 . . . . . . . . 5389 1 417 . 1 1 34 34 LEU CG C 13 30.4 0.05 . 1 . . . . . . . . 5389 1 418 . 1 1 34 34 LEU CD1 C 13 26.7 0.05 . 1 . . . . . . . . 5389 1 419 . 1 1 35 35 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 5389 1 420 . 1 1 35 35 ILE HA H 1 4.00 0.02 . 1 . . . . . . . . 5389 1 421 . 1 1 35 35 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 5389 1 422 . 1 1 35 35 ILE HG12 H 1 1.35 0.02 . 1 . . . . . . . . 5389 1 423 . 1 1 35 35 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5389 1 424 . 1 1 35 35 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5389 1 425 . 1 1 35 35 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5389 1 426 . 1 1 35 35 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5389 1 427 . 1 1 35 35 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5389 1 428 . 1 1 35 35 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5389 1 429 . 1 1 35 35 ILE C C 13 174.9 0.05 . 1 . . . . . . . . 5389 1 430 . 1 1 35 35 ILE CA C 13 60.8 0.05 . 1 . . . . . . . . 5389 1 431 . 1 1 35 35 ILE CB C 13 38.0 0.05 . 1 . . . . . . . . 5389 1 432 . 1 1 35 35 ILE CG1 C 13 26.9 0.05 . 1 . . . . . . . . 5389 1 433 . 1 1 35 35 ILE CG2 C 13 17.1 0.05 . 1 . . . . . . . . 5389 1 434 . 1 1 35 35 ILE CD1 C 13 12.6 0.05 . 1 . . . . . . . . 5389 1 435 . 1 1 35 35 ILE N N 15 126.8 0.1 . 9 . . . . . . . . 5389 1 436 . 1 1 36 36 ASN H H 1 8.83 0.02 . 1 . . . . . . . . 5389 1 437 . 1 1 36 36 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 5389 1 438 . 1 1 36 36 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5389 1 439 . 1 1 36 36 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5389 1 440 . 1 1 36 36 ASN HD21 H 1 7.60 0.02 . 1 . . . . . . . . 5389 1 441 . 1 1 36 36 ASN HD22 H 1 6.85 0.02 . 1 . . . . . . . . 5389 1 442 . 1 1 36 36 ASN CA C 13 52.4 0.05 . 1 . . . . . . . . 5389 1 443 . 1 1 36 36 ASN CB C 13 38.2 0.05 . 1 . . . . . . . . 5389 1 444 . 1 1 36 36 ASN CG C 13 177.6 0.05 . 1 . . . . . . . . 5389 1 445 . 1 1 36 36 ASN N N 15 120.8 0.1 . 1 . . . . . . . . 5389 1 446 . 1 1 36 36 ASN ND2 N 15 112.0 0.1 . 1 . . . . . . . . 5389 1 447 . 1 1 37 37 PRO HA H 1 4.55 0.02 . 1 . . . . . . . . 5389 1 448 . 1 1 37 37 PRO HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5389 1 449 . 1 1 37 37 PRO HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5389 1 450 . 1 1 37 37 PRO HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5389 1 451 . 1 1 37 37 PRO HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5389 1 452 . 1 1 37 37 PRO HD2 H 1 3.77 0.02 . 1 . . . . . . . . 5389 1 453 . 1 1 37 37 PRO HD3 H 1 3.77 0.02 . 1 . . . . . . . . 5389 1 454 . 1 1 37 37 PRO C C 13 175.3 0.05 . 1 . . . . . . . . 5389 1 455 . 1 1 37 37 PRO CA C 13 63.6 0.05 . 1 . . . . . . . . 5389 1 456 . 1 1 37 37 PRO CB C 13 31.6 0.05 . 1 . . . . . . . . 5389 1 457 . 1 1 37 37 PRO CG C 13 27.5 0.05 . 1 . . . . . . . . 5389 1 458 . 1 1 37 37 PRO CD C 13 50.0 0.05 . 1 . . . . . . . . 5389 1 459 . 1 1 38 38 HIS H H 1 8.45 0.02 . 1 . . . . . . . . 5389 1 460 . 1 1 38 38 HIS HA H 1 5.54 0.02 . 1 . . . . . . . . 5389 1 461 . 1 1 38 38 HIS HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5389 1 462 . 1 1 38 38 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5389 1 463 . 1 1 38 38 HIS HD2 H 1 6.95 0.02 . 1 . . . . . . . . 5389 1 464 . 1 1 38 38 HIS HE1 H 1 7.89 0.02 . 1 . . . . . . . . 5389 1 465 . 1 1 38 38 HIS C C 13 174.1 0.05 . 1 . . . . . . . . 5389 1 466 . 1 1 38 38 HIS CA C 13 53.9 0.05 . 1 . . . . . . . . 5389 1 467 . 1 1 38 38 HIS CB C 13 31.2 0.05 . 1 . . . . . . . . 5389 1 468 . 1 1 38 38 HIS CD2 C 13 119.4 0.05 . 1 . . . . . . . . 5389 1 469 . 1 1 38 38 HIS CE1 C 13 138.2 0.05 . 1 . . . . . . . . 5389 1 470 . 1 1 38 38 HIS N N 15 121.8 0.1 . 1 . . . . . . . . 5389 1 471 . 1 1 39 39 ILE H H 1 8.91 0.02 . 1 . . . . . . . . 5389 1 472 . 1 1 39 39 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 5389 1 473 . 1 1 39 39 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . 5389 1 474 . 1 1 39 39 ILE HG12 H 1 1.43 0.02 . 1 . . . . . . . . 5389 1 475 . 1 1 39 39 ILE HG13 H 1 1.06 0.02 . 1 . . . . . . . . 5389 1 476 . 1 1 39 39 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5389 1 477 . 1 1 39 39 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5389 1 478 . 1 1 39 39 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5389 1 479 . 1 1 39 39 ILE HD11 H 1 0.63 0.02 . 1 . . . . . . . . 5389 1 480 . 1 1 39 39 ILE HD12 H 1 0.63 0.02 . 1 . . . . . . . . 5389 1 481 . 1 1 39 39 ILE HD13 H 1 0.63 0.02 . 1 . . . . . . . . 5389 1 482 . 1 1 39 39 ILE C C 13 173.6 0.05 . 1 . . . . . . . . 5389 1 483 . 1 1 39 39 ILE CA C 13 59.2 0.05 . 1 . . . . . . . . 5389 1 484 . 1 1 39 39 ILE CB C 13 39.9 0.05 . 1 . . . . . . . . 5389 1 485 . 1 1 39 39 ILE CG1 C 13 28.2 0.05 . 1 . . . . . . . . 5389 1 486 . 1 1 39 39 ILE CG2 C 13 16.7 0.05 . 1 . . . . . . . . 5389 1 487 . 1 1 39 39 ILE CD1 C 13 13.0 0.05 . 1 . . . . . . . . 5389 1 488 . 1 1 39 39 ILE N N 15 126.5 0.1 . 1 . . . . . . . . 5389 1 489 . 1 1 40 40 ILE H H 1 9.13 0.02 . 1 . . . . . . . . 5389 1 490 . 1 1 40 40 ILE HA H 1 4.93 0.02 . 1 . . . . . . . . 5389 1 491 . 1 1 40 40 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 5389 1 492 . 1 1 40 40 ILE HG13 H 1 1.09 0.02 . 1 . . . . . . . . 5389 1 493 . 1 1 40 40 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 494 . 1 1 40 40 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 495 . 1 1 40 40 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5389 1 496 . 1 1 40 40 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 497 . 1 1 40 40 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 498 . 1 1 40 40 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5389 1 499 . 1 1 40 40 ILE C C 13 175.9 0.05 . 1 . . . . . . . . 5389 1 500 . 1 1 40 40 ILE CA C 13 59.8 0.05 . 1 . . . . . . . . 5389 1 501 . 1 1 40 40 ILE CB C 13 40.3 0.05 . 1 . . . . . . . . 5389 1 502 . 1 1 40 40 ILE CG1 C 13 27.4 0.05 . 1 . . . . . . . . 5389 1 503 . 1 1 40 40 ILE CG2 C 13 17.7 0.05 . 1 . . . . . . . . 5389 1 504 . 1 1 40 40 ILE CD1 C 13 13.7 0.05 . 1 . . . . . . . . 5389 1 505 . 1 1 40 40 ILE N N 15 126.6 0.1 . 1 . . . . . . . . 5389 1 506 . 1 1 41 41 LEU H H 1 8.78 0.02 . 1 . . . . . . . . 5389 1 507 . 1 1 41 41 LEU HA H 1 5.45 0.02 . 1 . . . . . . . . 5389 1 508 . 1 1 41 41 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5389 1 509 . 1 1 41 41 LEU HB3 H 1 1.49 0.02 . 2 . . . . . . . . 5389 1 510 . 1 1 41 41 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 511 . 1 1 41 41 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 512 . 1 1 41 41 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 513 . 1 1 41 41 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 514 . 1 1 41 41 LEU HD21 H 1 0.75 0.02 . 2 . . . . . . . . 5389 1 515 . 1 1 41 41 LEU HD22 H 1 0.75 0.02 . 2 . . . . . . . . 5389 1 516 . 1 1 41 41 LEU HD23 H 1 0.75 0.02 . 2 . . . . . . . . 5389 1 517 . 1 1 41 41 LEU C C 13 175.8 0.05 . 1 . . . . . . . . 5389 1 518 . 1 1 41 41 LEU CA C 13 52.9 0.05 . 1 . . . . . . . . 5389 1 519 . 1 1 41 41 LEU CB C 13 44.8 0.05 . 1 . . . . . . . . 5389 1 520 . 1 1 41 41 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 5389 1 521 . 1 1 41 41 LEU CD1 C 13 25.0 0.05 . 1 . . . . . . . . 5389 1 522 . 1 1 41 41 LEU CD2 C 13 24.5 0.05 . 1 . . . . . . . . 5389 1 523 . 1 1 41 41 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 5389 1 524 . 1 1 42 42 SER H H 1 9.63 0.02 . 1 . . . . . . . . 5389 1 525 . 1 1 42 42 SER HA H 1 5.06 0.02 . 1 . . . . . . . . 5389 1 526 . 1 1 42 42 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5389 1 527 . 1 1 42 42 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5389 1 528 . 1 1 42 42 SER C C 13 171.8 0.05 . 2 . . . . . . . . 5389 1 529 . 1 1 42 42 SER CA C 13 57.0 0.05 . 2 . . . . . . . . 5389 1 530 . 1 1 42 42 SER CB C 13 65.4 0.05 . 2 . . . . . . . . 5389 1 531 . 1 1 42 42 SER N N 15 119.7 0.1 . 2 . . . . . . . . 5389 1 532 . 1 1 43 43 LYS H H 1 8.30 0.02 . 2 . . . . . . . . 5389 1 533 . 1 1 43 43 LYS HA H 1 4.40 0.02 . 2 . . . . . . . . 5389 1 534 . 1 1 43 43 LYS HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5389 1 535 . 1 1 43 43 LYS HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5389 1 536 . 1 1 43 43 LYS HG2 H 1 0.96 0.02 . 2 . . . . . . . . 5389 1 537 . 1 1 43 43 LYS HG3 H 1 0.71 0.02 . 2 . . . . . . . . 5389 1 538 . 1 1 43 43 LYS HD2 H 1 1.41 0.02 . 2 . . . . . . . . 5389 1 539 . 1 1 43 43 LYS HD3 H 1 1.13 0.02 . 2 . . . . . . . . 5389 1 540 . 1 1 43 43 LYS HE2 H 1 2.98 0.02 . 2 . . . . . . . . 5389 1 541 . 1 1 43 43 LYS HE3 H 1 2.70 0.02 . 2 . . . . . . . . 5389 1 542 . 1 1 43 43 LYS C C 13 174.5 0.05 . 1 . . . . . . . . 5389 1 543 . 1 1 43 43 LYS CA C 13 55.4 0.05 . 1 . . . . . . . . 5389 1 544 . 1 1 43 43 LYS CB C 13 34.4 0.05 . 1 . . . . . . . . 5389 1 545 . 1 1 43 43 LYS CG C 13 24.4 0.05 . 1 . . . . . . . . 5389 1 546 . 1 1 43 43 LYS CD C 13 28.3 0.05 . 1 . . . . . . . . 5389 1 547 . 1 1 43 43 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5389 1 548 . 1 1 44 44 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 5389 1 549 . 1 1 44 44 GLU HA H 1 4.74 0.02 . 1 . . . . . . . . 5389 1 550 . 1 1 44 44 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 551 . 1 1 44 44 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 552 . 1 1 44 44 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . 5389 1 553 . 1 1 44 44 GLU HG3 H 1 2.10 0.02 . 1 . . . . . . . . 5389 1 554 . 1 1 44 44 GLU CA C 13 53.7 0.05 . 1 . . . . . . . . 5389 1 555 . 1 1 44 44 GLU CB C 13 29.5 0.05 . 1 . . . . . . . . 5389 1 556 . 1 1 44 44 GLU N N 15 126.5 0.1 . 1 . . . . . . . . 5389 1 557 . 1 1 45 45 PRO HA H 1 4.07 0.02 . 1 . . . . . . . . 5389 1 558 . 1 1 45 45 PRO HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5389 1 559 . 1 1 45 45 PRO HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5389 1 560 . 1 1 45 45 PRO HG2 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 561 . 1 1 45 45 PRO HG3 H 1 1.84 0.02 . 2 . . . . . . . . 5389 1 562 . 1 1 45 45 PRO HD2 H 1 3.80 0.02 . 2 . . . . . . . . 5389 1 563 . 1 1 45 45 PRO HD3 H 1 3.76 0.02 . 2 . . . . . . . . 5389 1 564 . 1 1 45 45 PRO C C 13 177.7 0.05 . 1 . . . . . . . . 5389 1 565 . 1 1 45 45 PRO CA C 13 66.1 0.05 . 1 . . . . . . . . 5389 1 566 . 1 1 45 45 PRO CB C 13 31.2 0.05 . 1 . . . . . . . . 5389 1 567 . 1 1 45 45 PRO CG C 13 27.9 0.05 . 1 . . . . . . . . 5389 1 568 . 1 1 45 45 PRO CD C 13 49.9 0.05 . 1 . . . . . . . . 5389 1 569 . 1 1 46 46 GLN H H 1 8.06 0.02 . 1 . . . . . . . . 5389 1 570 . 1 1 46 46 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 571 . 1 1 46 46 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5389 1 572 . 1 1 46 46 GLN HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5389 1 573 . 1 1 46 46 GLN HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5389 1 574 . 1 1 46 46 GLN HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5389 1 575 . 1 1 46 46 GLN HE21 H 1 7.49 0.02 . 1 . . . . . . . . 5389 1 576 . 1 1 46 46 GLN HE22 H 1 6.80 0.02 . 1 . . . . . . . . 5389 1 577 . 1 1 46 46 GLN C C 13 175.2 0.05 . 1 . . . . . . . . 5389 1 578 . 1 1 46 46 GLN CA C 13 55.6 0.05 . 1 . . . . . . . . 5389 1 579 . 1 1 46 46 GLN CB C 13 27.9 0.05 . 1 . . . . . . . . 5389 1 580 . 1 1 46 46 GLN CG C 13 33.5 0.05 . 1 . . . . . . . . 5389 1 581 . 1 1 46 46 GLN CD C 13 180.6 0.05 . 1 . . . . . . . . 5389 1 582 . 1 1 46 46 GLN N N 15 109.9 0.1 . 1 . . . . . . . . 5389 1 583 . 1 1 46 46 GLN NE2 N 15 111.0 0.1 . 1 . . . . . . . . 5389 1 584 . 1 1 47 47 GLY H H 1 7.43 0.02 . 1 . . . . . . . . 5389 1 585 . 1 1 47 47 GLY HA2 H 1 4.15 0.02 . 2 . . . . . . . . 5389 1 586 . 1 1 47 47 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 5389 1 587 . 1 1 47 47 GLY C C 13 170.9 0.05 . 1 . . . . . . . . 5389 1 588 . 1 1 47 47 GLY CA C 13 45.3 0.05 . 1 . . . . . . . . 5389 1 589 . 1 1 47 47 GLY N N 15 106.7 0.1 . 1 . . . . . . . . 5389 1 590 . 1 1 48 48 PHE H H 1 8.59 0.02 . 1 . . . . . . . . 5389 1 591 . 1 1 48 48 PHE HA H 1 5.00 0.02 . 1 . . . . . . . . 5389 1 592 . 1 1 48 48 PHE HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5389 1 593 . 1 1 48 48 PHE HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5389 1 594 . 1 1 48 48 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 5389 1 595 . 1 1 48 48 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 5389 1 596 . 1 1 48 48 PHE HE1 H 1 7.49 0.02 . 1 . . . . . . . . 5389 1 597 . 1 1 48 48 PHE HE2 H 1 7.49 0.02 . 1 . . . . . . . . 5389 1 598 . 1 1 48 48 PHE HZ H 1 7.39 0.02 . 1 . . . . . . . . 5389 1 599 . 1 1 48 48 PHE C C 13 175.1 0.05 . 1 . . . . . . . . 5389 1 600 . 1 1 48 48 PHE CA C 13 57.8 0.05 . 1 . . . . . . . . 5389 1 601 . 1 1 48 48 PHE CB C 13 42.1 0.05 . 1 . . . . . . . . 5389 1 602 . 1 1 48 48 PHE CD1 C 13 131.6 0.05 . 1 . . . . . . . . 5389 1 603 . 1 1 48 48 PHE CD2 C 13 131.6 0.05 . 1 . . . . . . . . 5389 1 604 . 1 1 48 48 PHE CE1 C 13 131.7 0.05 . 1 . . . . . . . . 5389 1 605 . 1 1 48 48 PHE CE2 C 13 131.7 0.05 . 1 . . . . . . . . 5389 1 606 . 1 1 48 48 PHE CZ C 13 129.7 0.05 . 1 . . . . . . . . 5389 1 607 . 1 1 48 48 PHE N N 15 117.4 0.1 . 1 . . . . . . . . 5389 1 608 . 1 1 49 49 VAL H H 1 8.82 0.02 . 1 . . . . . . . . 5389 1 609 . 1 1 49 49 VAL HA H 1 4.73 0.02 . 1 . . . . . . . . 5389 1 610 . 1 1 49 49 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 5389 1 611 . 1 1 49 49 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 5389 1 612 . 1 1 49 49 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 5389 1 613 . 1 1 49 49 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 5389 1 614 . 1 1 49 49 VAL HG21 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 615 . 1 1 49 49 VAL HG22 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 616 . 1 1 49 49 VAL HG23 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 617 . 1 1 49 49 VAL C C 13 173.6 0.05 . 1 . . . . . . . . 5389 1 618 . 1 1 49 49 VAL CA C 13 60.9 0.05 . 1 . . . . . . . . 5389 1 619 . 1 1 49 49 VAL CB C 13 34.4 0.05 . 1 . . . . . . . . 5389 1 620 . 1 1 49 49 VAL CG1 C 13 21.5 0.05 . 1 . . . . . . . . 5389 1 621 . 1 1 49 49 VAL CG2 C 13 20.8 0.05 . 1 . . . . . . . . 5389 1 622 . 1 1 49 49 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5389 1 623 . 1 1 50 50 ALA H H 1 9.41 0.02 . 1 . . . . . . . . 5389 1 624 . 1 1 50 50 ALA HA H 1 5.39 0.02 . 1 . . . . . . . . 5389 1 625 . 1 1 50 50 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 5389 1 626 . 1 1 50 50 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 5389 1 627 . 1 1 50 50 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 5389 1 628 . 1 1 50 50 ALA C C 13 173.8 0.05 . 1 . . . . . . . . 5389 1 629 . 1 1 50 50 ALA CA C 13 49.4 0.05 . 1 . . . . . . . . 5389 1 630 . 1 1 50 50 ALA CB C 13 21.2 0.05 . 1 . . . . . . . . 5389 1 631 . 1 1 50 50 ALA N N 15 129.9 0.1 . 1 . . . . . . . . 5389 1 632 . 1 1 51 51 ASP H H 1 9.09 0.02 . 1 . . . . . . . . 5389 1 633 . 1 1 51 51 ASP HA H 1 5.52 0.02 . 1 . . . . . . . . 5389 1 634 . 1 1 51 51 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5389 1 635 . 1 1 51 51 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5389 1 636 . 1 1 51 51 ASP C C 13 174.8 0.05 . 1 . . . . . . . . 5389 1 637 . 1 1 51 51 ASP CA C 13 53.4 0.05 . 1 . . . . . . . . 5389 1 638 . 1 1 51 51 ASP CB C 13 45.5 0.05 . 1 . . . . . . . . 5389 1 639 . 1 1 51 51 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 5389 1 640 . 1 1 52 52 ALA H H 1 8.75 0.02 . 1 . . . . . . . . 5389 1 641 . 1 1 52 52 ALA HA H 1 5.45 0.02 . 1 . . . . . . . . 5389 1 642 . 1 1 52 52 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5389 1 643 . 1 1 52 52 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5389 1 644 . 1 1 52 52 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5389 1 645 . 1 1 52 52 ALA C C 13 175.9 0.05 . 1 . . . . . . . . 5389 1 646 . 1 1 52 52 ALA CA C 13 51.1 0.05 . 1 . . . . . . . . 5389 1 647 . 1 1 52 52 ALA CB C 13 24.5 0.05 . 1 . . . . . . . . 5389 1 648 . 1 1 52 52 ALA N N 15 118.8 0.1 . 1 . . . . . . . . 5389 1 649 . 1 1 53 53 THR H H 1 8.46 0.02 . 1 . . . . . . . . 5389 1 650 . 1 1 53 53 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 5389 1 651 . 1 1 53 53 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 5389 1 652 . 1 1 53 53 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5389 1 653 . 1 1 53 53 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5389 1 654 . 1 1 53 53 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5389 1 655 . 1 1 53 53 THR C C 13 174.1 0.05 . 1 . . . . . . . . 5389 1 656 . 1 1 53 53 THR CA C 13 61.4 0.05 . 1 . . . . . . . . 5389 1 657 . 1 1 53 53 THR CB C 13 70.9 0.05 . 1 . . . . . . . . 5389 1 658 . 1 1 53 53 THR CG2 C 13 21.2 0.05 . 1 . . . . . . . . 5389 1 659 . 1 1 53 53 THR N N 15 114.7 0.1 . 1 . . . . . . . . 5389 1 660 . 1 1 54 54 ILE H H 1 9.27 0.02 . 1 . . . . . . . . 5389 1 661 . 1 1 54 54 ILE HA H 1 4.48 0.02 . 1 . . . . . . . . 5389 1 662 . 1 1 54 54 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 5389 1 663 . 1 1 54 54 ILE HG12 H 1 1.45 0.02 . 1 . . . . . . . . 5389 1 664 . 1 1 54 54 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5389 1 665 . 1 1 54 54 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5389 1 666 . 1 1 54 54 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5389 1 667 . 1 1 54 54 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5389 1 668 . 1 1 54 54 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5389 1 669 . 1 1 54 54 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5389 1 670 . 1 1 54 54 ILE C C 13 173.8 0.05 . 1 . . . . . . . . 5389 1 671 . 1 1 54 54 ILE CA C 13 59.9 0.05 . 1 . . . . . . . . 5389 1 672 . 1 1 54 54 ILE CB C 13 41.3 0.05 . 1 . . . . . . . . 5389 1 673 . 1 1 54 54 ILE CG1 C 13 26.7 0.05 . 1 . . . . . . . . 5389 1 674 . 1 1 54 54 ILE CG2 C 13 18.0 0.05 . 1 . . . . . . . . 5389 1 675 . 1 1 54 54 ILE CD1 C 13 14.4 0.05 . 1 . . . . . . . . 5389 1 676 . 1 1 54 54 ILE N N 15 123.6 0.1 . 1 . . . . . . . . 5389 1 677 . 1 1 55 55 ASN H H 1 8.77 0.02 . 1 . . . . . . . . 5389 1 678 . 1 1 55 55 ASN HA H 1 4.91 0.02 . 1 . . . . . . . . 5389 1 679 . 1 1 55 55 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . 5389 1 680 . 1 1 55 55 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5389 1 681 . 1 1 55 55 ASN HD21 H 1 7.41 0.02 . 1 . . . . . . . . 5389 1 682 . 1 1 55 55 ASN HD22 H 1 6.78 0.02 . 1 . . . . . . . . 5389 1 683 . 1 1 55 55 ASN C C 13 173.4 0.05 . 1 . . . . . . . . 5389 1 684 . 1 1 55 55 ASN CA C 13 53.6 0.05 . 1 . . . . . . . . 5389 1 685 . 1 1 55 55 ASN CB C 13 38.9 0.05 . 1 . . . . . . . . 5389 1 686 . 1 1 55 55 ASN CG C 13 176.3 0.05 . 1 . . . . . . . . 5389 1 687 . 1 1 55 55 ASN N N 15 125.3 0.1 . 1 . . . . . . . . 5389 1 688 . 1 1 55 55 ASN ND2 N 15 110.6 0.1 . 1 . . . . . . . . 5389 1 689 . 1 1 56 56 THR H H 1 7.78 0.02 . 1 . . . . . . . . 5389 1 690 . 1 1 56 56 THR HA H 1 5.26 0.02 . 1 . . . . . . . . 5389 1 691 . 1 1 56 56 THR HB H 1 4.49 0.02 . 1 . . . . . . . . 5389 1 692 . 1 1 56 56 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 5389 1 693 . 1 1 56 56 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 5389 1 694 . 1 1 56 56 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 5389 1 695 . 1 1 56 56 THR CA C 13 59.7 0.05 . 1 . . . . . . . . 5389 1 696 . 1 1 56 56 THR CB C 13 69.8 0.05 . 1 . . . . . . . . 5389 1 697 . 1 1 56 56 THR CG2 C 13 21.0 0.05 . 1 . . . . . . . . 5389 1 698 . 1 1 56 56 THR N N 15 113.4 0.1 . 1 . . . . . . . . 5389 1 699 . 1 1 57 57 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 5389 1 700 . 1 1 57 57 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5389 1 701 . 1 1 57 57 PRO HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5389 1 702 . 1 1 57 57 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 703 . 1 1 57 57 PRO HG3 H 1 1.06 0.02 . 2 . . . . . . . . 5389 1 704 . 1 1 57 57 PRO HD2 H 1 4.00 0.02 . 2 . . . . . . . . 5389 1 705 . 1 1 57 57 PRO HD3 H 1 3.63 0.02 . 2 . . . . . . . . 5389 1 706 . 1 1 57 57 PRO C C 13 176.2 0.05 . 1 . . . . . . . . 5389 1 707 . 1 1 57 57 PRO CA C 13 64.5 0.05 . 1 . . . . . . . . 5389 1 708 . 1 1 57 57 PRO CB C 13 31.8 0.05 . 1 . . . . . . . . 5389 1 709 . 1 1 57 57 PRO CG C 13 27.9 0.05 . 1 . . . . . . . . 5389 1 710 . 1 1 57 57 PRO CD C 13 50.6 0.05 . 1 . . . . . . . . 5389 1 711 . 1 1 58 58 ASN H H 1 7.86 0.02 . 1 . . . . . . . . 5389 1 712 . 1 1 58 58 ASN HA H 1 5.00 0.02 . 1 . . . . . . . . 5389 1 713 . 1 1 58 58 ASN HB2 H 1 2.95 0.02 . 1 . . . . . . . . 5389 1 714 . 1 1 58 58 ASN HB3 H 1 2.39 0.02 . 1 . . . . . . . . 5389 1 715 . 1 1 58 58 ASN HD21 H 1 7.12 0.02 . 1 . . . . . . . . 5389 1 716 . 1 1 58 58 ASN HD22 H 1 6.62 0.02 . 1 . . . . . . . . 5389 1 717 . 1 1 58 58 ASN C C 13 173.6 0.05 . 1 . . . . . . . . 5389 1 718 . 1 1 58 58 ASN CA C 13 52.1 0.05 . 1 . . . . . . . . 5389 1 719 . 1 1 58 58 ASN CB C 13 40.0 0.05 . 1 . . . . . . . . 5389 1 720 . 1 1 58 58 ASN CG C 13 176.0 0.05 . 1 . . . . . . . . 5389 1 721 . 1 1 58 58 ASN N N 15 111.4 0.1 . 1 . . . . . . . . 5389 1 722 . 1 1 58 58 ASN ND2 N 15 110.7 0.1 . 1 . . . . . . . . 5389 1 723 . 1 1 59 59 GLY H H 1 7.46 0.02 . 1 . . . . . . . . 5389 1 724 . 1 1 59 59 GLY HA2 H 1 4.47 0.02 . 2 . . . . . . . . 5389 1 725 . 1 1 59 59 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 5389 1 726 . 1 1 59 59 GLY C C 13 173.4 0.05 . 1 . . . . . . . . 5389 1 727 . 1 1 59 59 GLY CA C 13 43.9 0.05 . 1 . . . . . . . . 5389 1 728 . 1 1 59 59 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 5389 1 729 . 1 1 60 60 VAL H H 1 8.46 0.02 . 1 . . . . . . . . 5389 1 730 . 1 1 60 60 VAL HA H 1 4.55 0.02 . 1 . . . . . . . . 5389 1 731 . 1 1 60 60 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 5389 1 732 . 1 1 60 60 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 5389 1 733 . 1 1 60 60 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 5389 1 734 . 1 1 60 60 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5389 1 735 . 1 1 60 60 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 5389 1 736 . 1 1 60 60 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 5389 1 737 . 1 1 60 60 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 5389 1 738 . 1 1 60 60 VAL C C 13 175.3 0.05 . 1 . . . . . . . . 5389 1 739 . 1 1 60 60 VAL CA C 13 62.2 0.05 . 1 . . . . . . . . 5389 1 740 . 1 1 60 60 VAL CB C 13 32.8 0.05 . 1 . . . . . . . . 5389 1 741 . 1 1 60 60 VAL CG1 C 13 21.4 0.05 . 2 . . . . . . . . 5389 1 742 . 1 1 60 60 VAL CG2 C 13 20.9 0.05 . 2 . . . . . . . . 5389 1 743 . 1 1 60 60 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 5389 1 744 . 1 1 61 61 LEU H H 1 9.16 0.02 . 1 . . . . . . . . 5389 1 745 . 1 1 61 61 LEU HA H 1 4.67 0.02 . 1 . . . . . . . . 5389 1 746 . 1 1 61 61 LEU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 5389 1 747 . 1 1 61 61 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5389 1 748 . 1 1 61 61 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5389 1 749 . 1 1 61 61 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5389 1 750 . 1 1 61 61 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5389 1 751 . 1 1 61 61 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 752 . 1 1 61 61 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 753 . 1 1 61 61 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5389 1 754 . 1 1 61 61 LEU C C 13 174.8 0.05 . 1 . . . . . . . . 5389 1 755 . 1 1 61 61 LEU CA C 13 53.5 0.05 . 1 . . . . . . . . 5389 1 756 . 1 1 61 61 LEU CB C 13 43.7 0.05 . 1 . . . . . . . . 5389 1 757 . 1 1 61 61 LEU CG C 13 25.5 0.05 . 1 . . . . . . . . 5389 1 758 . 1 1 61 61 LEU CD1 C 13 23.8 0.05 . 1 . . . . . . . . 5389 1 759 . 1 1 61 61 LEU CD2 C 13 18.8 0.05 . 1 . . . . . . . . 5389 1 760 . 1 1 61 61 LEU N N 15 128.3 0.1 . 1 . . . . . . . . 5389 1 761 . 1 1 62 62 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 5389 1 762 . 1 1 62 62 VAL HA H 1 5.01 0.02 . 1 . . . . . . . . 5389 1 763 . 1 1 62 62 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5389 1 764 . 1 1 62 62 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5389 1 765 . 1 1 62 62 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5389 1 766 . 1 1 62 62 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5389 1 767 . 1 1 62 62 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 5389 1 768 . 1 1 62 62 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 5389 1 769 . 1 1 62 62 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 5389 1 770 . 1 1 62 62 VAL C C 13 175.2 0.05 . 1 . . . . . . . . 5389 1 771 . 1 1 62 62 VAL CA C 13 59.9 0.05 . 1 . . . . . . . . 5389 1 772 . 1 1 62 62 VAL CB C 13 34.5 0.05 . 1 . . . . . . . . 5389 1 773 . 1 1 62 62 VAL CG1 C 13 21.0 0.05 . 1 . . . . . . . . 5389 1 774 . 1 1 62 62 VAL CG2 C 13 20.3 0.05 . 1 . . . . . . . . 5389 1 775 . 1 1 62 62 VAL N N 15 119.8 0.1 . 1 . . . . . . . . 5389 1 776 . 1 1 63 63 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5389 1 777 . 1 1 63 63 ALA HA H 1 4.74 0.02 . 1 . . . . . . . . 5389 1 778 . 1 1 63 63 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 779 . 1 1 63 63 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 780 . 1 1 63 63 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 781 . 1 1 63 63 ALA C C 13 174.5 0.05 . 1 . . . . . . . . 5389 1 782 . 1 1 63 63 ALA CA C 13 51.1 0.05 . 1 . . . . . . . . 5389 1 783 . 1 1 63 63 ALA CB C 13 23.6 0.05 . 1 . . . . . . . . 5389 1 784 . 1 1 63 63 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 5389 1 785 . 1 1 64 64 SER H H 1 7.97 0.1 . 1 . . . . . . . . 5389 1 786 . 1 1 64 64 SER HA H 1 5.65 0.02 . 1 . . . . . . . . 5389 1 787 . 1 1 64 64 SER HB2 H 1 3.65 0.02 . 2 . . . . . . . . 5389 1 788 . 1 1 64 64 SER HB3 H 1 3.55 0.02 . 2 . . . . . . . . 5389 1 789 . 1 1 64 64 SER C C 13 173.4 0.05 . 1 . . . . . . . . 5389 1 790 . 1 1 64 64 SER CA C 13 57.0 0.05 . 1 . . . . . . . . 5389 1 791 . 1 1 64 64 SER CB C 13 65.7 0.05 . 1 . . . . . . . . 5389 1 792 . 1 1 64 64 SER N N 15 112.4 0.1 . 1 . . . . . . . . 5389 1 793 . 1 1 65 65 GLY H H 1 9.42 0.02 . 1 . . . . . . . . 5389 1 794 . 1 1 65 65 GLY HA2 H 1 4.67 0.02 . 2 . . . . . . . . 5389 1 795 . 1 1 65 65 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 5389 1 796 . 1 1 65 65 GLY C C 13 173.1 0.05 . 1 . . . . . . . . 5389 1 797 . 1 1 65 65 GLY CA C 13 43.9 0.05 . 1 . . . . . . . . 5389 1 798 . 1 1 65 65 GLY N N 15 111.9 0.1 . 1 . . . . . . . . 5389 1 799 . 1 1 66 66 LYS H H 1 8.46 0.02 . 1 . . . . . . . . 5389 1 800 . 1 1 66 66 LYS HA H 1 5.53 0.02 . 1 . . . . . . . . 5389 1 801 . 1 1 66 66 LYS HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5389 1 802 . 1 1 66 66 LYS HB3 H 1 1.74 0.02 . 1 . . . . . . . . 5389 1 803 . 1 1 66 66 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 5389 1 804 . 1 1 66 66 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5389 1 805 . 1 1 66 66 LYS HD2 H 1 1.45 0.02 . 1 . . . . . . . . 5389 1 806 . 1 1 66 66 LYS HD3 H 1 1.45 0.02 . 1 . . . . . . . . 5389 1 807 . 1 1 66 66 LYS HE2 H 1 2.76 0.02 . 1 . . . . . . . . 5389 1 808 . 1 1 66 66 LYS HE3 H 1 2.76 0.02 . 1 . . . . . . . . 5389 1 809 . 1 1 66 66 LYS C C 13 174.8 0.05 . 1 . . . . . . . . 5389 1 810 . 1 1 66 66 LYS CA C 13 54.5 0.05 . 1 . . . . . . . . 5389 1 811 . 1 1 66 66 LYS CB C 13 35.6 0.05 . 1 . . . . . . . . 5389 1 812 . 1 1 66 66 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 5389 1 813 . 1 1 66 66 LYS CD C 13 29.4 0.05 . 1 . . . . . . . . 5389 1 814 . 1 1 66 66 LYS CE C 13 41.7 0.05 . 1 . . . . . . . . 5389 1 815 . 1 1 66 66 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5389 1 816 . 1 1 67 67 HIS H H 1 8.57 0.02 . 1 . . . . . . . . 5389 1 817 . 1 1 67 67 HIS HA H 1 4.35 0.02 . 1 . . . . . . . . 5389 1 818 . 1 1 67 67 HIS HB2 H 1 3.17 0.02 . 2 . . . . . . . . 5389 1 819 . 1 1 67 67 HIS HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5389 1 820 . 1 1 67 67 HIS HD2 H 1 7.29 0.02 . 1 . . . . . . . . 5389 1 821 . 1 1 67 67 HIS HE1 H 1 7.82 0.02 . 1 . . . . . . . . 5389 1 822 . 1 1 67 67 HIS C C 13 173.2 0.05 . 1 . . . . . . . . 5389 1 823 . 1 1 67 67 HIS CA C 13 59.2 0.05 . 1 . . . . . . . . 5389 1 824 . 1 1 67 67 HIS CB C 13 32.5 0.05 . 1 . . . . . . . . 5389 1 825 . 1 1 67 67 HIS CD2 C 13 118.4 0.05 . 1 . . . . . . . . 5389 1 826 . 1 1 67 67 HIS CE1 C 13 137.2 0.05 . 1 . . . . . . . . 5389 1 827 . 1 1 67 67 HIS N N 15 121.6 0.1 . 1 . . . . . . . . 5389 1 828 . 1 1 68 68 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 5389 1 829 . 1 1 68 68 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5389 1 830 . 1 1 68 68 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5389 1 831 . 1 1 68 68 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5389 1 832 . 1 1 68 68 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 5389 1 833 . 1 1 68 68 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5389 1 834 . 1 1 68 68 GLU C C 13 175.9 0.05 . 1 . . . . . . . . 5389 1 835 . 1 1 68 68 GLU CA C 13 59.5 0.05 . 1 . . . . . . . . 5389 1 836 . 1 1 68 68 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5389 1 837 . 1 1 68 68 GLU CG C 13 36.2 0.05 . 1 . . . . . . . . 5389 1 838 . 1 1 68 68 GLU N N 15 124.1 0.1 . 1 . . . . . . . . 5389 1 839 . 1 1 69 69 ASP H H 1 11.9 0.02 . 1 . . . . . . . . 5389 1 840 . 1 1 69 69 ASP HA H 1 5.06 0.02 . 1 . . . . . . . . 5389 1 841 . 1 1 69 69 ASP HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5389 1 842 . 1 1 69 69 ASP HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5389 1 843 . 1 1 69 69 ASP C C 13 175.6 0.05 . 1 . . . . . . . . 5389 1 844 . 1 1 69 69 ASP CA C 13 52.9 0.05 . 1 . . . . . . . . 5389 1 845 . 1 1 69 69 ASP CB C 13 43.3 0.05 . 1 . . . . . . . . 5389 1 846 . 1 1 69 69 ASP N N 15 124.1 0.1 . 1 . . . . . . . . 5389 1 847 . 1 1 70 70 MET H H 1 8.33 0.02 . 1 . . . . . . . . 5389 1 848 . 1 1 70 70 MET HA H 1 3.10 0.02 . 1 . . . . . . . . 5389 1 849 . 1 1 70 70 MET HB2 H 1 1.00 0.02 . 2 . . . . . . . . 5389 1 850 . 1 1 70 70 MET HB3 H 1 0.16 0.02 . 2 . . . . . . . . 5389 1 851 . 1 1 70 70 MET HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5389 1 852 . 1 1 70 70 MET HG3 H 1 1.40 0.02 . 2 . . . . . . . . 5389 1 853 . 1 1 70 70 MET HE1 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 854 . 1 1 70 70 MET HE2 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 855 . 1 1 70 70 MET HE3 H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 856 . 1 1 70 70 MET C C 13 177.0 0.05 . 1 . . . . . . . . 5389 1 857 . 1 1 70 70 MET CA C 13 59.8 0.05 . 1 . . . . . . . . 5389 1 858 . 1 1 70 70 MET CB C 13 31.9 0.05 . 1 . . . . . . . . 5389 1 859 . 1 1 70 70 MET CG C 13 30.1 0.05 . 1 . . . . . . . . 5389 1 860 . 1 1 70 70 MET CE C 13 16.9 0.05 . 1 . . . . . . . . 5389 1 861 . 1 1 70 70 MET N N 15 126.7 0.1 . 1 . . . . . . . . 5389 1 862 . 1 1 71 71 TYR H H 1 8.02 0.02 . 1 . . . . . . . . 5389 1 863 . 1 1 71 71 TYR HA H 1 3.76 0.02 . 1 . . . . . . . . 5389 1 864 . 1 1 71 71 TYR HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5389 1 865 . 1 1 71 71 TYR HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5389 1 866 . 1 1 71 71 TYR HD1 H 1 6.52 0.02 . 1 . . . . . . . . 5389 1 867 . 1 1 71 71 TYR HD2 H 1 6.52 0.02 . 1 . . . . . . . . 5389 1 868 . 1 1 71 71 TYR HE1 H 1 6.41 0.02 . 1 . . . . . . . . 5389 1 869 . 1 1 71 71 TYR HE2 H 1 6.41 0.02 . 1 . . . . . . . . 5389 1 870 . 1 1 71 71 TYR C C 13 178.2 0.05 . 1 . . . . . . . . 5389 1 871 . 1 1 71 71 TYR CA C 13 61.4 0.05 . 1 . . . . . . . . 5389 1 872 . 1 1 71 71 TYR CB C 13 35.6 0.05 . 1 . . . . . . . . 5389 1 873 . 1 1 71 71 TYR CD1 C 13 131.3 0.05 . 1 . . . . . . . . 5389 1 874 . 1 1 71 71 TYR CD2 C 13 131.3 0.05 . 1 . . . . . . . . 5389 1 875 . 1 1 71 71 TYR CE1 C 13 117.0 0.05 . 1 . . . . . . . . 5389 1 876 . 1 1 71 71 TYR CE2 C 13 117.0 0.05 . 1 . . . . . . . . 5389 1 877 . 1 1 71 71 TYR N N 15 115.8 0.1 . 1 . . . . . . . . 5389 1 878 . 1 1 72 72 THR H H 1 8.07 0.02 . 1 . . . . . . . . 5389 1 879 . 1 1 72 72 THR HA H 1 3.80 0.02 . 1 . . . . . . . . 5389 1 880 . 1 1 72 72 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 5389 1 881 . 1 1 72 72 THR HG21 H 1 0.48 0.02 . 1 . . . . . . . . 5389 1 882 . 1 1 72 72 THR HG22 H 1 0.48 0.02 . 1 . . . . . . . . 5389 1 883 . 1 1 72 72 THR HG23 H 1 0.48 0.02 . 1 . . . . . . . . 5389 1 884 . 1 1 72 72 THR C C 13 175.5 0.05 . 1 . . . . . . . . 5389 1 885 . 1 1 72 72 THR CA C 13 66.5 0.05 . 1 . . . . . . . . 5389 1 886 . 1 1 72 72 THR CB C 13 67.9 0.05 . 1 . . . . . . . . 5389 1 887 . 1 1 72 72 THR CG2 C 13 20.5 0.05 . 1 . . . . . . . . 5389 1 888 . 1 1 72 72 THR N N 15 118.0 0.1 . 1 . . . . . . . . 5389 1 889 . 1 1 73 73 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 5389 1 890 . 1 1 73 73 ALA HA H 1 3.60 0.02 . 1 . . . . . . . . 5389 1 891 . 1 1 73 73 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 892 . 1 1 73 73 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 893 . 1 1 73 73 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 894 . 1 1 73 73 ALA C C 13 179.0 0.05 . 1 . . . . . . . . 5389 1 895 . 1 1 73 73 ALA CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 896 . 1 1 73 73 ALA CB C 13 17.0 0.05 . 1 . . . . . . . . 5389 1 897 . 1 1 73 73 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5389 1 898 . 1 1 74 74 ILE H H 1 7.58 0.02 . 1 . . . . . . . . 5389 1 899 . 1 1 74 74 ILE HA H 1 3.32 0.02 . 1 . . . . . . . . 5389 1 900 . 1 1 74 74 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5389 1 901 . 1 1 74 74 ILE HG12 H 1 1.45 0.02 . 1 . . . . . . . . 5389 1 902 . 1 1 74 74 ILE HG13 H 1 1.04 0.02 . 1 . . . . . . . . 5389 1 903 . 1 1 74 74 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 904 . 1 1 74 74 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 905 . 1 1 74 74 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 906 . 1 1 74 74 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 5389 1 907 . 1 1 74 74 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 5389 1 908 . 1 1 74 74 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 5389 1 909 . 1 1 74 74 ILE C C 13 176.6 0.05 . 1 . . . . . . . . 5389 1 910 . 1 1 74 74 ILE CA C 13 65.1 0.05 . 1 . . . . . . . . 5389 1 911 . 1 1 74 74 ILE CB C 13 37.7 0.05 . 1 . . . . . . . . 5389 1 912 . 1 1 74 74 ILE CG1 C 13 29.5 0.05 . 1 . . . . . . . . 5389 1 913 . 1 1 74 74 ILE CG2 C 13 17.8 0.05 . 1 . . . . . . . . 5389 1 914 . 1 1 74 74 ILE CD1 C 13 13.3 0.05 . 1 . . . . . . . . 5389 1 915 . 1 1 74 74 ILE N N 15 115.3 0.1 . 1 . . . . . . . . 5389 1 916 . 1 1 75 75 ASN H H 1 8.47 0.02 . 1 . . . . . . . . 5389 1 917 . 1 1 75 75 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 918 . 1 1 75 75 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5389 1 919 . 1 1 75 75 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5389 1 920 . 1 1 75 75 ASN HD21 H 1 7.52 0.02 . 1 . . . . . . . . 5389 1 921 . 1 1 75 75 ASN HD22 H 1 6.85 0.02 . 1 . . . . . . . . 5389 1 922 . 1 1 75 75 ASN C C 13 178.0 0.05 . 1 . . . . . . . . 5389 1 923 . 1 1 75 75 ASN CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 924 . 1 1 75 75 ASN CB C 13 37.7 0.05 . 1 . . . . . . . . 5389 1 925 . 1 1 75 75 ASN CG C 13 175.7 0.05 . 1 . . . . . . . . 5389 1 926 . 1 1 75 75 ASN N N 15 119.7 0.1 . 1 . . . . . . . . 5389 1 927 . 1 1 75 75 ASN ND2 N 15 109.3 0.1 . 1 . . . . . . . . 5389 1 928 . 1 1 76 76 GLU H H 1 8.67 0.02 . 1 . . . . . . . . 5389 1 929 . 1 1 76 76 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5389 1 930 . 1 1 76 76 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5389 1 931 . 1 1 76 76 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 5389 1 932 . 1 1 76 76 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5389 1 933 . 1 1 76 76 GLU HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5389 1 934 . 1 1 76 76 GLU C C 13 178.6 0.05 . 1 . . . . . . . . 5389 1 935 . 1 1 76 76 GLU CA C 13 58.1 0.05 . 1 . . . . . . . . 5389 1 936 . 1 1 76 76 GLU CB C 13 29.2 0.05 . 1 . . . . . . . . 5389 1 937 . 1 1 76 76 GLU CG C 13 36.4 0.05 . 1 . . . . . . . . 5389 1 938 . 1 1 76 76 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 5389 1 939 . 1 1 77 77 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 5389 1 940 . 1 1 77 77 LEU HA H 1 3.80 0.02 . 1 . . . . . . . . 5389 1 941 . 1 1 77 77 LEU HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5389 1 942 . 1 1 77 77 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 5389 1 943 . 1 1 77 77 LEU HG H 1 1.22 0.02 . 1 . . . . . . . . 5389 1 944 . 1 1 77 77 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5389 1 945 . 1 1 77 77 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5389 1 946 . 1 1 77 77 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5389 1 947 . 1 1 77 77 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 948 . 1 1 77 77 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 949 . 1 1 77 77 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 5389 1 950 . 1 1 77 77 LEU C C 13 177.5 0.05 . 1 . . . . . . . . 5389 1 951 . 1 1 77 77 LEU CA C 13 58.2 0.05 . 1 . . . . . . . . 5389 1 952 . 1 1 77 77 LEU CB C 13 40.3 0.05 . 1 . . . . . . . . 5389 1 953 . 1 1 77 77 LEU CG C 13 27.4 0.05 . 1 . . . . . . . . 5389 1 954 . 1 1 77 77 LEU CD1 C 13 25.5 0.05 . 1 . . . . . . . . 5389 1 955 . 1 1 77 77 LEU CD2 C 13 23.3 0.05 . 1 . . . . . . . . 5389 1 956 . 1 1 77 77 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 5389 1 957 . 1 1 78 78 ILE H H 1 8.16 0.02 . 1 . . . . . . . . 5389 1 958 . 1 1 78 78 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 5389 1 959 . 1 1 78 78 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5389 1 960 . 1 1 78 78 ILE HG12 H 1 1.41 0.02 . 1 . . . . . . . . 5389 1 961 . 1 1 78 78 ILE HG13 H 1 1.30 0.02 . 1 . . . . . . . . 5389 1 962 . 1 1 78 78 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 963 . 1 1 78 78 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 964 . 1 1 78 78 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 965 . 1 1 78 78 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 5389 1 966 . 1 1 78 78 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 5389 1 967 . 1 1 78 78 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 5389 1 968 . 1 1 78 78 ILE C C 13 177.3 0.05 . 1 . . . . . . . . 5389 1 969 . 1 1 78 78 ILE CA C 13 63.9 0.05 . 1 . . . . . . . . 5389 1 970 . 1 1 78 78 ILE CB C 13 35.6 0.05 . 1 . . . . . . . . 5389 1 971 . 1 1 78 78 ILE CG1 C 13 28.5 0.05 . 1 . . . . . . . . 5389 1 972 . 1 1 78 78 ILE CG2 C 13 17.8 0.05 . 1 . . . . . . . . 5389 1 973 . 1 1 78 78 ILE CD1 C 13 11.2 0.05 . 1 . . . . . . . . 5389 1 974 . 1 1 78 78 ILE N N 15 117.2 0.1 . 1 . . . . . . . . 5389 1 975 . 1 1 79 79 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 5389 1 976 . 1 1 79 79 ASN HA H 1 4.50 0.02 . 1 . . . . . . . . 5389 1 977 . 1 1 79 79 ASN HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5389 1 978 . 1 1 79 79 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5389 1 979 . 1 1 79 79 ASN HD21 H 1 7.58 0.02 . 1 . . . . . . . . 5389 1 980 . 1 1 79 79 ASN HD22 H 1 6.83 0.02 . 1 . . . . . . . . 5389 1 981 . 1 1 79 79 ASN C C 13 178.3 0.02 . 1 . . . . . . . . 5389 1 982 . 1 1 79 79 ASN CA C 13 56.0 0.05 . 1 . . . . . . . . 5389 1 983 . 1 1 79 79 ASN CB C 13 37.6 0.05 . 1 . . . . . . . . 5389 1 984 . 1 1 79 79 ASN CG C 13 175.6 0.05 . 1 . . . . . . . . 5389 1 985 . 1 1 79 79 ASN N N 15 118.4 0.1 . 1 . . . . . . . . 5389 1 986 . 1 1 79 79 ASN ND2 N 15 110.2 0.1 . 1 . . . . . . . . 5389 1 987 . 1 1 80 80 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5389 1 988 . 1 1 80 80 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5389 1 989 . 1 1 80 80 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 990 . 1 1 80 80 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 991 . 1 1 80 80 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 5389 1 992 . 1 1 80 80 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 5389 1 993 . 1 1 80 80 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 994 . 1 1 80 80 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 995 . 1 1 80 80 LYS HE2 H 1 3.14 0.02 . 1 . . . . . . . . 5389 1 996 . 1 1 80 80 LYS HE3 H 1 3.14 0.02 . 1 . . . . . . . . 5389 1 997 . 1 1 80 80 LYS C C 13 179.5 0.05 . 1 . . . . . . . . 5389 1 998 . 1 1 80 80 LYS CA C 13 59.7 0.05 . 1 . . . . . . . . 5389 1 999 . 1 1 80 80 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5389 1 1000 . 1 1 80 80 LYS CG C 13 26.0 0.05 . 1 . . . . . . . . 5389 1 1001 . 1 1 80 80 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5389 1 1002 . 1 1 80 80 LYS CE C 13 42.3 0.05 . 1 . . . . . . . . 5389 1 1003 . 1 1 80 80 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 5389 1 1004 . 1 1 81 81 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5389 1 1005 . 1 1 81 81 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5389 1 1006 . 1 1 81 81 LEU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5389 1 1007 . 1 1 81 81 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 5389 1 1008 . 1 1 81 81 LEU HG H 1 1.70 0.02 . 1 . . . . . . . . 5389 1 1009 . 1 1 81 81 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 5389 1 1010 . 1 1 81 81 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 5389 1 1011 . 1 1 81 81 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 5389 1 1012 . 1 1 81 81 LEU HD21 H 1 0.52 0.02 . 2 . . . . . . . . 5389 1 1013 . 1 1 81 81 LEU HD22 H 1 0.52 0.02 . 2 . . . . . . . . 5389 1 1014 . 1 1 81 81 LEU HD23 H 1 0.52 0.02 . 2 . . . . . . . . 5389 1 1015 . 1 1 81 81 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 5389 1 1016 . 1 1 81 81 LEU CA C 13 57.9 0.05 . 1 . . . . . . . . 5389 1 1017 . 1 1 81 81 LEU CB C 13 41.7 0.05 . 1 . . . . . . . . 5389 1 1018 . 1 1 81 81 LEU CG C 13 25.3 0.05 . 1 . . . . . . . . 5389 1 1019 . 1 1 81 81 LEU CD1 C 13 24.8 0.05 . 1 . . . . . . . . 5389 1 1020 . 1 1 81 81 LEU CD2 C 13 23.1 0.05 . 1 . . . . . . . . 5389 1 1021 . 1 1 81 81 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 5389 1 1022 . 1 1 82 82 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5389 1 1023 . 1 1 82 82 GLU HA H 1 3.56 0.02 . 1 . . . . . . . . 5389 1 1024 . 1 1 82 82 GLU HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5389 1 1025 . 1 1 82 82 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5389 1 1026 . 1 1 82 82 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 5389 1 1027 . 1 1 82 82 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5389 1 1028 . 1 1 82 82 GLU C C 13 177.9 0.05 . 1 . . . . . . . . 5389 1 1029 . 1 1 82 82 GLU CA C 13 60.2 0.05 . 1 . . . . . . . . 5389 1 1030 . 1 1 82 82 GLU CB C 13 29.3 0.05 . 1 . . . . . . . . 5389 1 1031 . 1 1 82 82 GLU CG C 13 36.2 0.05 . 1 . . . . . . . . 5389 1 1032 . 1 1 82 82 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 5389 1 1033 . 1 1 83 83 ARG H H 1 7.70 0.02 . 1 . . . . . . . . 5389 1 1034 . 1 1 83 83 ARG HA H 1 4.49 0.02 . 1 . . . . . . . . 5389 1 1035 . 1 1 83 83 ARG HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 1036 . 1 1 83 83 ARG HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5389 1 1037 . 1 1 83 83 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 5389 1 1038 . 1 1 83 83 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 5389 1 1039 . 1 1 83 83 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 5389 1 1040 . 1 1 83 83 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 5389 1 1041 . 1 1 83 83 ARG C C 13 179.2 0.05 . 1 . . . . . . . . 5389 1 1042 . 1 1 83 83 ARG CA C 13 59.1 0.05 . 1 . . . . . . . . 5389 1 1043 . 1 1 83 83 ARG CB C 13 30.1 0.05 . 1 . . . . . . . . 5389 1 1044 . 1 1 83 83 ARG CG C 13 27.5 0.05 . 1 . . . . . . . . 5389 1 1045 . 1 1 83 83 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . 5389 1 1046 . 1 1 83 83 ARG N N 15 116.6 0.1 . 1 . . . . . . . . 5389 1 1047 . 1 1 84 84 GLN H H 1 7.90 0.02 . 1 . . . . . . . . 5389 1 1048 . 1 1 84 84 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 5389 1 1049 . 1 1 84 84 GLN HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 1050 . 1 1 84 84 GLN HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 1051 . 1 1 84 84 GLN HG2 H 1 2.50 0.02 . 1 . . . . . . . . 5389 1 1052 . 1 1 84 84 GLN HG3 H 1 2.50 0.02 . 1 . . . . . . . . 5389 1 1053 . 1 1 84 84 GLN HE21 H 1 7.03 0.02 . 1 . . . . . . . . 5389 1 1054 . 1 1 84 84 GLN HE22 H 1 7.03 0.02 . 1 . . . . . . . . 5389 1 1055 . 1 1 84 84 GLN C C 13 178.6 0.05 . 1 . . . . . . . . 5389 1 1056 . 1 1 84 84 GLN CA C 13 58.6 0.05 . 1 . . . . . . . . 5389 1 1057 . 1 1 84 84 GLN CB C 13 28.9 0.05 . 1 . . . . . . . . 5389 1 1058 . 1 1 84 84 GLN CG C 13 34.2 0.05 . 1 . . . . . . . . 5389 1 1059 . 1 1 84 84 GLN CD C 13 179.0 0.05 . 1 . . . . . . . . 5389 1 1060 . 1 1 84 84 GLN N N 15 117.3 0.1 . 1 . . . . . . . . 5389 1 1061 . 1 1 84 84 GLN NE2 N 15 108.3 0.1 . 1 . . . . . . . . 5389 1 1062 . 1 1 85 85 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 5389 1 1063 . 1 1 85 85 LEU HA H 1 3.70 0.02 . 1 . . . . . . . . 5389 1 1064 . 1 1 85 85 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5389 1 1065 . 1 1 85 85 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 5389 1 1066 . 1 1 85 85 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 5389 1 1067 . 1 1 85 85 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 5389 1 1068 . 1 1 85 85 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 5389 1 1069 . 1 1 85 85 LEU HD21 H 1 0.56 0.02 . 2 . . . . . . . . 5389 1 1070 . 1 1 85 85 LEU HD22 H 1 0.56 0.02 . 2 . . . . . . . . 5389 1 1071 . 1 1 85 85 LEU HD23 H 1 0.56 0.02 . 2 . . . . . . . . 5389 1 1072 . 1 1 85 85 LEU C C 13 178.3 0.02 . 1 . . . . . . . . 5389 1 1073 . 1 1 85 85 LEU CA C 13 57.6 0.05 . 1 . . . . . . . . 5389 1 1074 . 1 1 85 85 LEU CB C 13 40.1 0.05 . 1 . . . . . . . . 5389 1 1075 . 1 1 85 85 LEU CG C 13 26.8 0.05 . 1 . . . . . . . . 5389 1 1076 . 1 1 85 85 LEU CD1 C 13 25.0 0.05 . 1 . . . . . . . . 5389 1 1077 . 1 1 85 85 LEU CD2 C 13 23.8 0.05 . 1 . . . . . . . . 5389 1 1078 . 1 1 85 85 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5389 1 1079 . 1 1 86 86 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 5389 1 1080 . 1 1 86 86 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 5389 1 1081 . 1 1 86 86 ASN HB2 H 1 2.74 0.02 . 1 . . . . . . . . 5389 1 1082 . 1 1 86 86 ASN HB3 H 1 2.74 0.02 . 1 . . . . . . . . 5389 1 1083 . 1 1 86 86 ASN HD21 H 1 7.47 0.02 . 1 . . . . . . . . 5389 1 1084 . 1 1 86 86 ASN HD22 H 1 7.03 0.02 . 1 . . . . . . . . 5389 1 1085 . 1 1 86 86 ASN C C 13 176.9 0.05 . 1 . . . . . . . . 5389 1 1086 . 1 1 86 86 ASN CA C 13 55.5 0.05 . 1 . . . . . . . . 5389 1 1087 . 1 1 86 86 ASN CB C 13 38.5 0.05 . 1 . . . . . . . . 5389 1 1088 . 1 1 86 86 ASN CG C 13 175.8 0.05 . 1 . . . . . . . . 5389 1 1089 . 1 1 86 86 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 5389 1 1090 . 1 1 86 86 ASN ND2 N 15 111.4 0.1 . 1 . . . . . . . . 5389 1 1091 . 1 1 87 87 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5389 1 1092 . 1 1 87 87 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5389 1 1093 . 1 1 87 87 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5389 1 1094 . 1 1 87 87 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5389 1 1095 . 1 1 87 87 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5389 1 1096 . 1 1 87 87 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 5389 1 1097 . 1 1 87 87 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5389 1 1098 . 1 1 87 87 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5389 1 1099 . 1 1 87 87 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 5389 1 1100 . 1 1 87 87 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 5389 1 1101 . 1 1 87 87 LYS C C 13 178.0 0.05 . 1 . . . . . . . . 5389 1 1102 . 1 1 87 87 LYS CA C 13 58.1 0.05 . 1 . . . . . . . . 5389 1 1103 . 1 1 87 87 LYS CB C 13 32.2 0.05 . 1 . . . . . . . . 5389 1 1104 . 1 1 87 87 LYS CG C 13 29.0 0.05 . 1 . . . . . . . . 5389 1 1105 . 1 1 87 87 LYS CD C 13 24.8 0.05 . 1 . . . . . . . . 5389 1 1106 . 1 1 87 87 LYS CE C 13 41.8 0.05 . 1 . . . . . . . . 5389 1 1107 . 1 1 87 87 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 5389 1 1108 . 1 1 88 88 LEU H H 1 7.70 0.02 . 1 . . . . . . . . 5389 1 1109 . 1 1 88 88 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5389 1 1110 . 1 1 88 88 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5389 1 1111 . 1 1 88 88 LEU HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5389 1 1112 . 1 1 88 88 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 1113 . 1 1 88 88 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 1114 . 1 1 88 88 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 5389 1 1115 . 1 1 88 88 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5389 1 1116 . 1 1 88 88 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5389 1 1117 . 1 1 88 88 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5389 1 1118 . 1 1 88 88 LEU C C 13 177.6 0.05 . 1 . . . . . . . . 5389 1 1119 . 1 1 88 88 LEU CA C 13 56.4 0.05 . 1 . . . . . . . . 5389 1 1120 . 1 1 88 88 LEU CB C 13 41.9 0.05 . 1 . . . . . . . . 5389 1 1121 . 1 1 88 88 LEU CG C 13 27.0 0.05 . 1 . . . . . . . . 5389 1 1122 . 1 1 88 88 LEU CD1 C 13 25.1 0.05 . 1 . . . . . . . . 5389 1 1123 . 1 1 88 88 LEU CD2 C 13 23.0 0.05 . 1 . . . . . . . . 5389 1 1124 . 1 1 88 88 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 5389 1 1125 . 1 1 89 89 GLN H H 1 7.84 0.02 . 1 . . . . . . . . 5389 1 1126 . 1 1 89 89 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 5389 1 1127 . 1 1 89 89 GLN HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 1128 . 1 1 89 89 GLN HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5389 1 1129 . 1 1 89 89 GLN HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5389 1 1130 . 1 1 89 89 GLN HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5389 1 1131 . 1 1 89 89 GLN HE21 H 1 7.38 0.02 . 1 . . . . . . . . 5389 1 1132 . 1 1 89 89 GLN HE22 H 1 6.81 0.02 . 1 . . . . . . . . 5389 1 1133 . 1 1 89 89 GLN C C 13 175.6 0.05 . 1 . . . . . . . . 5389 1 1134 . 1 1 89 89 GLN CA C 13 56.3 0.05 . 1 . . . . . . . . 5389 1 1135 . 1 1 89 89 GLN CB C 13 28.9 0.05 . 1 . . . . . . . . 5389 1 1136 . 1 1 89 89 GLN CG C 13 33.3 0.05 . 1 . . . . . . . . 5389 1 1137 . 1 1 89 89 GLN CD C 13 179.7 0.05 . 1 . . . . . . . . 5389 1 1138 . 1 1 89 89 GLN N N 15 117.0 0.1 . 1 . . . . . . . . 5389 1 1139 . 1 1 89 89 GLN NE2 N 15 110.6 0.1 . 1 . . . . . . . . 5389 1 1140 . 1 1 90 90 HIS H H 1 8.02 0.02 . 1 . . . . . . . . 5389 1 1141 . 1 1 90 90 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 5389 1 1142 . 1 1 90 90 HIS HB2 H 1 3.18 0.02 . 1 . . . . . . . . 5389 1 1143 . 1 1 90 90 HIS HB3 H 1 3.08 0.02 . 1 . . . . . . . . 5389 1 1144 . 1 1 90 90 HIS HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5389 1 1145 . 1 1 90 90 HIS HE1 H 1 8.11 0.02 . 1 . . . . . . . . 5389 1 1146 . 1 1 90 90 HIS C C 13 175.0 0.05 . 1 . . . . . . . . 5389 1 1147 . 1 1 90 90 HIS CA C 13 56.3 0.05 . 1 . . . . . . . . 5389 1 1148 . 1 1 90 90 HIS CB C 13 29.6 0.05 . 1 . . . . . . . . 5389 1 1149 . 1 1 90 90 HIS CD2 C 13 119.9 0.05 . 1 . . . . . . . . 5389 1 1150 . 1 1 90 90 HIS CE1 C 13 137.3 0.05 . 1 . . . . . . . . 5389 1 1151 . 1 1 90 90 HIS N N 15 117.9 0.1 . 1 . . . . . . . . 5389 1 1152 . 1 1 91 91 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5389 1 1153 . 1 1 91 91 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 5389 1 1154 . 1 1 91 91 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5389 1 1155 . 1 1 91 91 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5389 1 1156 . 1 1 91 91 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 5389 1 1157 . 1 1 91 91 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 5389 1 1158 . 1 1 91 91 LYS HE2 H 1 2.95 0.02 . 1 . . . . . . . . 5389 1 1159 . 1 1 91 91 LYS HE3 H 1 2.95 0.02 . 1 . . . . . . . . 5389 1 1160 . 1 1 91 91 LYS C C 13 176.7 0.05 . 1 . . . . . . . . 5389 1 1161 . 1 1 91 91 LYS CA C 13 56.8 0.05 . 1 . . . . . . . . 5389 1 1162 . 1 1 91 91 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5389 1 1163 . 1 1 91 91 LYS CG C 13 24.5 0.05 . 1 . . . . . . . . 5389 1 1164 . 1 1 91 91 LYS CD C 13 28.9 0.05 . 1 . . . . . . . . 5389 1 1165 . 1 1 91 91 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5389 1 1166 . 1 1 91 91 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 5389 1 1167 . 1 1 92 92 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 5389 1 1168 . 1 1 92 92 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5389 1 1169 . 1 1 92 92 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 5389 1 1170 . 1 1 92 92 GLY C C 13 173.7 0.05 . 1 . . . . . . . . 5389 1 1171 . 1 1 92 92 GLY CA C 13 45.2 0.05 . 1 . . . . . . . . 5389 1 1172 . 1 1 92 92 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5389 1 1173 . 1 1 93 93 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 5389 1 1174 . 1 1 93 93 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 5389 1 1175 . 1 1 93 93 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5389 1 1176 . 1 1 93 93 GLU HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5389 1 1177 . 1 1 93 93 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5389 1 1178 . 1 1 93 93 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . 5389 1 1179 . 1 1 93 93 GLU C C 13 175.8 0.05 . 1 . . . . . . . . 5389 1 1180 . 1 1 93 93 GLU CA C 13 56.3 0.05 . 1 . . . . . . . . 5389 1 1181 . 1 1 93 93 GLU CB C 13 30.1 0.05 . 1 . . . . . . . . 5389 1 1182 . 1 1 93 93 GLU CG C 13 36.0 0.05 . 1 . . . . . . . . 5389 1 1183 . 1 1 93 93 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 5389 1 1184 . 1 1 94 94 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5389 1 1185 . 1 1 94 94 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5389 1 1186 . 1 1 94 94 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 5389 1 1187 . 1 1 94 94 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 5389 1 1188 . 1 1 94 94 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 5389 1 1189 . 1 1 94 94 ALA C C 13 176.9 0.05 . 1 . . . . . . . . 5389 1 1190 . 1 1 94 94 ALA CA C 13 52.6 0.05 . 1 . . . . . . . . 5389 1 1191 . 1 1 94 94 ALA CB C 13 18.7 0.05 . 1 . . . . . . . . 5389 1 1192 . 1 1 94 94 ALA N N 15 123.6 0.1 . 1 . . . . . . . . 5389 1 1193 . 1 1 95 95 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 5389 1 1194 . 1 1 95 95 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 1195 . 1 1 95 95 ARG HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5389 1 1196 . 1 1 95 95 ARG HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5389 1 1197 . 1 1 95 95 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5389 1 1198 . 1 1 95 95 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5389 1 1199 . 1 1 95 95 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 5389 1 1200 . 1 1 95 95 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 5389 1 1201 . 1 1 95 95 ARG C C 13 175.8 0.05 . 1 . . . . . . . . 5389 1 1202 . 1 1 95 95 ARG CA C 13 56.0 0.05 . 1 . . . . . . . . 5389 1 1203 . 1 1 95 95 ARG CB C 13 30.4 0.05 . 1 . . . . . . . . 5389 1 1204 . 1 1 95 95 ARG CG C 13 26.9 0.05 . 1 . . . . . . . . 5389 1 1205 . 1 1 95 95 ARG CD C 13 43.0 0.05 . 1 . . . . . . . . 5389 1 1206 . 1 1 95 95 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 5389 1 1207 . 1 1 96 96 ARG H H 1 8.26 0.02 . 1 . . . . . . . . 5389 1 1208 . 1 1 96 96 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 1209 . 1 1 96 96 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5389 1 1210 . 1 1 96 96 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5389 1 1211 . 1 1 96 96 ARG HG2 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 1212 . 1 1 96 96 ARG HG3 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 1213 . 1 1 96 96 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5389 1 1214 . 1 1 96 96 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5389 1 1215 . 1 1 96 96 ARG C C 13 175.5 0.05 . 1 . . . . . . . . 5389 1 1216 . 1 1 96 96 ARG CA C 13 55.9 0.05 . 1 . . . . . . . . 5389 1 1217 . 1 1 96 96 ARG CB C 13 30.5 0.05 . 1 . . . . . . . . 5389 1 1218 . 1 1 96 96 ARG N N 15 121.4 0.1 . 1 . . . . . . . . 5389 1 1219 . 1 1 97 97 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 5389 1 1220 . 1 1 97 97 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5389 1 1221 . 1 1 97 97 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5389 1 1222 . 1 1 97 97 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5389 1 1223 . 1 1 97 97 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5389 1 1224 . 1 1 97 97 ALA C C 13 175.8 0.05 . 1 . . . . . . . . 5389 1 1225 . 1 1 97 97 ALA CA C 13 52.4 0.05 . 1 . . . . . . . . 5389 1 1226 . 1 1 97 97 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 5389 1 1227 . 1 1 97 97 ALA N N 15 124.1 0.1 . 1 . . . . . . . . 5389 1 1228 . 1 1 98 98 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 5389 1 1229 . 1 1 98 98 ALA HA H 1 4.35 0.02 . 1 . . . . . . . . 5389 1 1230 . 1 1 98 98 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5389 1 1231 . 1 1 98 98 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5389 1 1232 . 1 1 98 98 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5389 1 1233 . 1 1 98 98 ALA CA C 13 52.3 0.05 . 1 . . . . . . . . 5389 1 1234 . 1 1 98 98 ALA CB C 13 18.9 0.05 . 1 . . . . . . . . 5389 1 1235 . 1 1 98 98 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5389 1 1236 . 1 1 99 99 THR H H 1 8.03 0.02 . 1 . . . . . . . . 5389 1 1237 . 1 1 99 99 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 5389 1 1238 . 1 1 99 99 THR HB H 1 4.10 0.02 . 1 . . . . . . . . 5389 1 1239 . 1 1 99 99 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5389 1 1240 . 1 1 99 99 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5389 1 1241 . 1 1 99 99 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5389 1 1242 . 1 1 99 99 THR C C 13 177.5 0.05 . 1 . . . . . . . . 5389 1 1243 . 1 1 99 99 THR CA C 13 61.4 0.05 . 1 . . . . . . . . 5389 1 1244 . 1 1 99 99 THR CB C 13 69.5 0.05 . 1 . . . . . . . . 5389 1 1245 . 1 1 99 99 THR CG2 C 13 21.3 0.05 . 1 . . . . . . . . 5389 1 1246 . 1 1 99 99 THR N N 15 111.5 0.1 . 1 . . . . . . . . 5389 1 1247 . 1 1 100 100 SER H H 1 8.22 0.02 . 1 . . . . . . . . 5389 1 1248 . 1 1 100 100 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 5389 1 1249 . 1 1 100 100 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 5389 1 1250 . 1 1 100 100 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5389 1 1251 . 1 1 100 100 SER C C 13 176.9 0.05 . 1 . . . . . . . . 5389 1 1252 . 1 1 100 100 SER CA C 13 57.7 0.05 . 1 . . . . . . . . 5389 1 1253 . 1 1 100 100 SER CB C 13 63.7 0.05 . 1 . . . . . . . . 5389 1 1254 . 1 1 100 100 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5389 1 1255 . 1 1 101 101 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5389 1 1256 . 1 1 101 101 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 5389 1 1257 . 1 1 101 101 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5389 1 1258 . 1 1 101 101 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1259 . 1 1 101 101 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1260 . 1 1 101 101 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1261 . 1 1 101 101 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1262 . 1 1 101 101 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1263 . 1 1 101 101 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5389 1 1264 . 1 1 101 101 VAL C C 13 175.5 0.05 . 1 . . . . . . . . 5389 1 1265 . 1 1 101 101 VAL CA C 13 62.1 0.05 . 1 . . . . . . . . 5389 1 1266 . 1 1 101 101 VAL CB C 13 32.3 0.05 . 1 . . . . . . . . 5389 1 1267 . 1 1 101 101 VAL CG1 C 13 21.1 0.05 . 1 . . . . . . . . 5389 1 1268 . 1 1 101 101 VAL CG2 C 13 20.1 0.05 . 1 . . . . . . . . 5389 1 1269 . 1 1 101 101 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5389 1 1270 . 1 1 102 102 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 5389 1 1271 . 1 1 102 102 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5389 1 1272 . 1 1 102 102 LYS HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5389 1 1273 . 1 1 102 102 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5389 1 1274 . 1 1 102 102 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 5389 1 1275 . 1 1 102 102 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 5389 1 1276 . 1 1 102 102 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 1277 . 1 1 102 102 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5389 1 1278 . 1 1 102 102 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 5389 1 1279 . 1 1 102 102 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 5389 1 1280 . 1 1 102 102 LYS C C 13 176.0 0.05 . 1 . . . . . . . . 5389 1 1281 . 1 1 102 102 LYS CA C 13 56.0 0.05 . 1 . . . . . . . . 5389 1 1282 . 1 1 102 102 LYS CB C 13 32.5 0.05 . 1 . . . . . . . . 5389 1 1283 . 1 1 102 102 LYS CG C 13 24.4 0.05 . 1 . . . . . . . . 5389 1 1284 . 1 1 102 102 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5389 1 1285 . 1 1 102 102 LYS CE C 13 41.8 0.05 . 1 . . . . . . . . 5389 1 1286 . 1 1 102 102 LYS N N 15 123.6 0.1 . 1 . . . . . . . . 5389 1 1287 . 1 1 103 103 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 5389 1 1288 . 1 1 103 103 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 5389 1 1289 . 1 1 103 103 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5389 1 1290 . 1 1 103 103 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5389 1 1291 . 1 1 103 103 ASP C C 13 173.0 0.05 . 1 . . . . . . . . 5389 1 1292 . 1 1 103 103 ASP CA C 13 54.0 0.05 . 1 . . . . . . . . 5389 1 1293 . 1 1 103 103 ASP CB C 13 41.1 0.05 . 1 . . . . . . . . 5389 1 1294 . 1 1 103 103 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 5389 1 1295 . 1 1 104 104 ALA H H 1 8.20 0.02 . 1 . . . . . . . . 5389 1 1296 . 1 1 104 104 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 5389 1 1297 . 1 1 104 104 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 5389 1 1298 . 1 1 104 104 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 5389 1 1299 . 1 1 104 104 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 5389 1 1300 . 1 1 104 104 ALA C C 13 176.4 0.05 . 1 . . . . . . . . 5389 1 1301 . 1 1 104 104 ALA CA C 13 52.8 0.05 . 1 . . . . . . . . 5389 1 1302 . 1 1 104 104 ALA CB C 13 18.8 0.05 . 1 . . . . . . . . 5389 1 1303 . 1 1 104 104 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 5389 1 1304 . 1 1 105 105 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 5389 1 1305 . 1 1 105 105 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 5389 1 1306 . 1 1 105 105 ASN HB2 H 1 2.74 0.02 . 2 . . . . . . . . 5389 1 1307 . 1 1 105 105 ASN HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5389 1 1308 . 1 1 105 105 ASN HD21 H 1 7.51 0.02 . 1 . . . . . . . . 5389 1 1309 . 1 1 105 105 ASN HD22 H 1 6.84 0.02 . 1 . . . . . . . . 5389 1 1310 . 1 1 105 105 ASN C C 13 178.7 0.05 . 1 . . . . . . . . 5389 1 1311 . 1 1 105 105 ASN CA C 13 52.9 0.05 . 1 . . . . . . . . 5389 1 1312 . 1 1 105 105 ASN CB C 13 38.6 0.05 . 1 . . . . . . . . 5389 1 1313 . 1 1 105 105 ASN CG C 13 177.5 0.05 . 1 . . . . . . . . 5389 1 1314 . 1 1 105 105 ASN N N 15 115.7 0.1 . 1 . . . . . . . . 5389 1 1315 . 1 1 105 105 ASN ND2 N 15 112.5 0.1 . 1 . . . . . . . . 5389 1 1316 . 1 1 106 106 PHE H H 1 7.94 0.02 . 1 . . . . . . . . 5389 1 1317 . 1 1 106 106 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 5389 1 1318 . 1 1 106 106 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5389 1 1319 . 1 1 106 106 PHE HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5389 1 1320 . 1 1 106 106 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . 5389 1 1321 . 1 1 106 106 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5389 1 1322 . 1 1 106 106 PHE HE1 H 1 7.40 0.02 . 1 . . . . . . . . 5389 1 1323 . 1 1 106 106 PHE HE2 H 1 7.40 0.02 . 1 . . . . . . . . 5389 1 1324 . 1 1 106 106 PHE HZ H 1 7.35 0.02 . 1 . . . . . . . . 5389 1 1325 . 1 1 106 106 PHE C C 13 176.2 0.05 . 1 . . . . . . . . 5389 1 1326 . 1 1 106 106 PHE CA C 13 57.9 0.05 . 1 . . . . . . . . 5389 1 1327 . 1 1 106 106 PHE CB C 13 39.3 0.05 . 1 . . . . . . . . 5389 1 1328 . 1 1 106 106 PHE CD1 C 13 131.5 0.05 . 1 . . . . . . . . 5389 1 1329 . 1 1 106 106 PHE CD2 C 13 131.5 0.05 . 1 . . . . . . . . 5389 1 1330 . 1 1 106 106 PHE CE1 C 13 131.5 0.05 . 1 . . . . . . . . 5389 1 1331 . 1 1 106 106 PHE CE2 C 13 131.5 0.05 . 1 . . . . . . . . 5389 1 1332 . 1 1 106 106 PHE CZ C 13 130.0 0.05 . 1 . . . . . . . . 5389 1 1333 . 1 1 106 106 PHE N N 15 119.9 0.1 . 1 . . . . . . . . 5389 1 1334 . 1 1 107 107 VAL H H 1 7.88 0.02 . 1 . . . . . . . . 5389 1 1335 . 1 1 107 107 VAL HA H 1 4.02 0.02 . 1 . . . . . . . . 5389 1 1336 . 1 1 107 107 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5389 1 1337 . 1 1 107 107 VAL HG11 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1338 . 1 1 107 107 VAL HG12 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1339 . 1 1 107 107 VAL HG13 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1340 . 1 1 107 107 VAL HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1341 . 1 1 107 107 VAL HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1342 . 1 1 107 107 VAL HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5389 1 1343 . 1 1 107 107 VAL C C 13 175.5 0.05 . 1 . . . . . . . . 5389 1 1344 . 1 1 107 107 VAL CA C 13 61.6 0.05 . 1 . . . . . . . . 5389 1 1345 . 1 1 107 107 VAL CB C 13 32.8 0.05 . 1 . . . . . . . . 5389 1 1346 . 1 1 107 107 VAL CG1 C 13 21.0 0.05 . 1 . . . . . . . . 5389 1 1347 . 1 1 107 107 VAL CG2 C 13 20.4 0.05 . 1 . . . . . . . . 5389 1 1348 . 1 1 107 107 VAL N N 15 122.6 0.1 . 1 . . . . . . . . 5389 1 1349 . 1 1 108 108 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 5389 1 1350 . 1 1 108 108 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5389 1 1351 . 1 1 108 108 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 1352 . 1 1 108 108 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 1353 . 1 1 108 108 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5389 1 1354 . 1 1 108 108 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5389 1 1355 . 1 1 108 108 GLU C C 13 175.4 0.05 . 1 . . . . . . . . 5389 1 1356 . 1 1 108 108 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 1357 . 1 1 108 108 GLU CB C 13 30.8 0.05 . 1 . . . . . . . . 5389 1 1358 . 1 1 108 108 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5389 1 1359 . 1 1 108 108 GLU N N 15 124.0 0.1 . 1 . . . . . . . . 5389 1 1360 . 1 1 109 109 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 5389 1 1361 . 1 1 109 109 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 1362 . 1 1 109 109 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 1363 . 1 1 109 109 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 1364 . 1 1 109 109 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5389 1 1365 . 1 1 109 109 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5389 1 1366 . 1 1 109 109 GLU C C 13 175.9 0.05 . 1 . . . . . . . . 5389 1 1367 . 1 1 109 109 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 1368 . 1 1 109 109 GLU CB C 13 30.1 0.05 . 1 . . . . . . . . 5389 1 1369 . 1 1 109 109 GLU CG C 13 35.8 0.05 . 1 . . . . . . . . 5389 1 1370 . 1 1 109 109 GLU N N 15 122.1 0.1 . 1 . . . . . . . . 5389 1 1371 . 1 1 110 110 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 5389 1 1372 . 1 1 110 110 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 5389 1 1373 . 1 1 110 110 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 5389 1 1374 . 1 1 110 110 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5389 1 1375 . 1 1 110 110 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5389 1 1376 . 1 1 110 110 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5389 1 1377 . 1 1 110 110 VAL HG21 H 1 0.80 0.02 . 2 . . . . . . . . 5389 1 1378 . 1 1 110 110 VAL HG22 H 1 0.80 0.02 . 2 . . . . . . . . 5389 1 1379 . 1 1 110 110 VAL HG23 H 1 0.80 0.02 . 2 . . . . . . . . 5389 1 1380 . 1 1 110 110 VAL C C 13 175.6 0.05 . 1 . . . . . . . . 5389 1 1381 . 1 1 110 110 VAL CA C 13 61.7 0.05 . 1 . . . . . . . . 5389 1 1382 . 1 1 110 110 VAL CB C 13 32.9 0.05 . 1 . . . . . . . . 5389 1 1383 . 1 1 110 110 VAL CG1 C 13 21.0 0.05 . 1 . . . . . . . . 5389 1 1384 . 1 1 110 110 VAL CG2 C 13 20.1 0.05 . 1 . . . . . . . . 5389 1 1385 . 1 1 110 110 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 5389 1 1386 . 1 1 111 111 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5389 1 1387 . 1 1 111 111 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5389 1 1388 . 1 1 111 111 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 1389 . 1 1 111 111 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 1390 . 1 1 111 111 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1391 . 1 1 111 111 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1392 . 1 1 111 111 GLU C C 13 175.9 0.05 . 1 . . . . . . . . 5389 1 1393 . 1 1 111 111 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 1394 . 1 1 111 111 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 5389 1 1395 . 1 1 111 111 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5389 1 1396 . 1 1 111 111 GLU N N 15 124.6 0.1 . 1 . . . . . . . . 5389 1 1397 . 1 1 112 112 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 5389 1 1398 . 1 1 112 112 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5389 1 1399 . 1 1 112 112 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 1400 . 1 1 112 112 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5389 1 1401 . 1 1 112 112 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1402 . 1 1 112 112 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1403 . 1 1 112 112 GLU C C 13 175.2 0.05 . 1 . . . . . . . . 5389 1 1404 . 1 1 112 112 GLU CA C 13 56.1 0.05 . 1 . . . . . . . . 5389 1 1405 . 1 1 112 112 GLU CB C 13 30.5 0.05 . 1 . . . . . . . . 5389 1 1406 . 1 1 112 112 GLU CG C 13 35.9 0.05 . 1 . . . . . . . . 5389 1 1407 . 1 1 112 112 GLU N N 15 122.4 0.1 . 1 . . . . . . . . 5389 1 1408 . 1 1 113 113 GLU H H 1 8.04 0.02 . 1 . . . . . . . . 5389 1 1409 . 1 1 113 113 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5389 1 1410 . 1 1 113 113 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5389 1 1411 . 1 1 113 113 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5389 1 1412 . 1 1 113 113 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1413 . 1 1 113 113 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5389 1 1414 . 1 1 113 113 GLU CA C 13 57.8 0.05 . 1 . . . . . . . . 5389 1 1415 . 1 1 113 113 GLU CB C 13 30.8 0.05 . 1 . . . . . . . . 5389 1 1416 . 1 1 113 113 GLU N N 15 126.7 0.1 . 1 . . . . . . . . 5389 1 stop_ save_