data_4956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4956 _Entry.Title ; 1H, 13C and 15N resonance assignment of YajQ, a protein of unknown structure and function from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-12 _Entry.Accession_date 2001-01-12 _Entry.Last_release_date 2001-07-30 _Entry.Original_release_date 2001-07-30 _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 Simona Miron . . . 4956 2 Tudor Borza . . . 4956 3 Cosmin Saveanu . . . 4956 4 Anne-Marie Gilles . . . 4956 5 Octavian Barzu . . . 4956 6 Constantin Craescu . T. . 4956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 144 4956 '15N chemical shifts' 155 4956 '1H chemical shifts' 771 4956 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-07-30 2001-02-12 original author . 4956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4956 _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 assignment of YajQ, a protein of unknown structure and function from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 3 _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 287 _Citation.Page_last 288 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simona Miron . . . 4956 1 2 Tudor Borza . . . 4956 1 3 Cosmin Saveanu . . . 4956 1 4 Anne-Marie Gilles . . . 4956 1 5 Octavian Barzu . . . 4956 1 6 Constantin Craescu . T. . 4956 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E.coli 4956 1 NMR 4956 1 'nuclear magnetic resonance' 4956 1 protein 4956 1 'resonance assignment' 4956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YajQ _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YajQ _Assembly.Entry_ID 4956 _Assembly.ID 1 _Assembly.Name 'YajQ from E.coli' _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 4956 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 YajQ 1 $YajQ . . . native . . . . . 4956 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YajQ abbreviation 4956 1 'YajQ from E.coli' system 4956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YajQ _Entity.Sf_category entity _Entity.Sf_framecode YajQ _Entity.Entry_ID 4956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'YajQ from E.coli' _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 ; MPSFDIVSEVDLQEARNAVD NASREVESRFDFRNVEASFE LNDASKTIKVLSESDFQVNQ LLDILRAKLLKRGIEGSSLD VPENIVHSGKTWFVEAKLKQ GIESATQKKIVKMIKDSKLK VQAQIQGDEIRVTGKSRDDL QAVMAMVRGGDLGQPFQFKN FRD ; _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 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB33903 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 169 100.00 100.00 1.88e-111 . . . . 4956 1 2 no DBJ BAE76206 . "predicted nucleotide binding protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 3 no DBJ BAG75972 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 4 no DBJ BAI23797 . "predicted nucleotide binding protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 5 no DBJ BAI29268 . "predicted nucleotide binding protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 6 no EMBL CAP74960 . "UPF0234 protein yajQ [Escherichia coli LF82]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 7 no EMBL CAQ30895 . "nucleotide binding protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 8 no EMBL CAQ90094 . "putative nucleotide binding protein (UPF0234 protein) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 9 no EMBL CAQ97298 . "putative nucleotide binding protein (UPF0234 protein) [Escherichia coli IAI1]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 10 no EMBL CAR01769 . "putative nucleotide binding protein (UPF0234 protein) [Escherichia coli S88]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 11 no GB AAB40182 . "similar to H. influenzae HI1034 [Escherichia coli]" . . . . . 100.00 169 100.00 100.00 1.88e-111 . . . . 4956 1 12 no GB AAC73529 . "phage Phi6 host factor, ATP/GTP binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 13 no GB AAG54776 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 169 100.00 100.00 1.88e-111 . . . . 4956 1 14 no GB AAN42021 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 163 99.39 99.39 1.16e-110 . . . . 4956 1 15 no GB AAN79015 . "Protein yajQ [Escherichia coli CFT073]" . . . . . 100.00 219 100.00 100.00 1.25e-111 . . . . 4956 1 16 no REF NP_286168 . "nucleotide-binding protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 17 no REF NP_308507 . "nucleotide-binding protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 18 no REF NP_414960 . "phage Phi6 host factor, ATP/GTP binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 19 no REF NP_706314 . "nucleotide-binding protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 163 99.39 99.39 1.16e-110 . . . . 4956 1 20 no REF NP_752471 . "nucleotide-binding protein [Escherichia coli CFT073]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 21 no SP A7ZII0 . "RecName: Full=UPF0234 protein YajQ [Escherichia coli E24377A]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 22 no SP A7ZX79 . "RecName: Full=UPF0234 protein YajQ [Escherichia coli HS]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 23 no SP B1J023 . "RecName: Full=UPF0234 protein YajQ [Escherichia coli ATCC 8739]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 24 no SP B1LJH6 . "RecName: Full=UPF0234 protein YajQ [Escherichia coli SMS-3-5]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 25 no SP B1XFL4 . "RecName: Full=UPF0234 protein YajQ [Escherichia coli str. K-12 substr. DH10B]" . . . . . 100.00 163 100.00 100.00 1.85e-111 . . . . 4956 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YajQ abbreviation 4956 1 'YajQ from E.coli' common 4956 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 . 4956 1 2 . PRO . 4956 1 3 . SER . 4956 1 4 . PHE . 4956 1 5 . ASP . 4956 1 6 . ILE . 4956 1 7 . VAL . 4956 1 8 . SER . 4956 1 9 . GLU . 4956 1 10 . VAL . 4956 1 11 . ASP . 4956 1 12 . LEU . 4956 1 13 . GLN . 4956 1 14 . GLU . 4956 1 15 . ALA . 4956 1 16 . ARG . 4956 1 17 . ASN . 4956 1 18 . ALA . 4956 1 19 . VAL . 4956 1 20 . ASP . 4956 1 21 . ASN . 4956 1 22 . ALA . 4956 1 23 . SER . 4956 1 24 . ARG . 4956 1 25 . GLU . 4956 1 26 . VAL . 4956 1 27 . GLU . 4956 1 28 . SER . 4956 1 29 . ARG . 4956 1 30 . PHE . 4956 1 31 . ASP . 4956 1 32 . PHE . 4956 1 33 . ARG . 4956 1 34 . ASN . 4956 1 35 . VAL . 4956 1 36 . GLU . 4956 1 37 . ALA . 4956 1 38 . SER . 4956 1 39 . PHE . 4956 1 40 . GLU . 4956 1 41 . LEU . 4956 1 42 . ASN . 4956 1 43 . ASP . 4956 1 44 . ALA . 4956 1 45 . SER . 4956 1 46 . LYS . 4956 1 47 . THR . 4956 1 48 . ILE . 4956 1 49 . LYS . 4956 1 50 . VAL . 4956 1 51 . LEU . 4956 1 52 . SER . 4956 1 53 . GLU . 4956 1 54 . SER . 4956 1 55 . ASP . 4956 1 56 . PHE . 4956 1 57 . GLN . 4956 1 58 . VAL . 4956 1 59 . ASN . 4956 1 60 . GLN . 4956 1 61 . LEU . 4956 1 62 . LEU . 4956 1 63 . ASP . 4956 1 64 . ILE . 4956 1 65 . LEU . 4956 1 66 . ARG . 4956 1 67 . ALA . 4956 1 68 . LYS . 4956 1 69 . LEU . 4956 1 70 . LEU . 4956 1 71 . LYS . 4956 1 72 . ARG . 4956 1 73 . GLY . 4956 1 74 . ILE . 4956 1 75 . GLU . 4956 1 76 . GLY . 4956 1 77 . SER . 4956 1 78 . SER . 4956 1 79 . LEU . 4956 1 80 . ASP . 4956 1 81 . VAL . 4956 1 82 . PRO . 4956 1 83 . GLU . 4956 1 84 . ASN . 4956 1 85 . ILE . 4956 1 86 . VAL . 4956 1 87 . HIS . 4956 1 88 . SER . 4956 1 89 . GLY . 4956 1 90 . LYS . 4956 1 91 . THR . 4956 1 92 . TRP . 4956 1 93 . PHE . 4956 1 94 . VAL . 4956 1 95 . GLU . 4956 1 96 . ALA . 4956 1 97 . LYS . 4956 1 98 . LEU . 4956 1 99 . LYS . 4956 1 100 . GLN . 4956 1 101 . GLY . 4956 1 102 . ILE . 4956 1 103 . GLU . 4956 1 104 . SER . 4956 1 105 . ALA . 4956 1 106 . THR . 4956 1 107 . GLN . 4956 1 108 . LYS . 4956 1 109 . LYS . 4956 1 110 . ILE . 4956 1 111 . VAL . 4956 1 112 . LYS . 4956 1 113 . MET . 4956 1 114 . ILE . 4956 1 115 . LYS . 4956 1 116 . ASP . 4956 1 117 . SER . 4956 1 118 . LYS . 4956 1 119 . LEU . 4956 1 120 . LYS . 4956 1 121 . VAL . 4956 1 122 . GLN . 4956 1 123 . ALA . 4956 1 124 . GLN . 4956 1 125 . ILE . 4956 1 126 . GLN . 4956 1 127 . GLY . 4956 1 128 . ASP . 4956 1 129 . GLU . 4956 1 130 . ILE . 4956 1 131 . ARG . 4956 1 132 . VAL . 4956 1 133 . THR . 4956 1 134 . GLY . 4956 1 135 . LYS . 4956 1 136 . SER . 4956 1 137 . ARG . 4956 1 138 . ASP . 4956 1 139 . ASP . 4956 1 140 . LEU . 4956 1 141 . GLN . 4956 1 142 . ALA . 4956 1 143 . VAL . 4956 1 144 . MET . 4956 1 145 . ALA . 4956 1 146 . MET . 4956 1 147 . VAL . 4956 1 148 . ARG . 4956 1 149 . GLY . 4956 1 150 . GLY . 4956 1 151 . ASP . 4956 1 152 . LEU . 4956 1 153 . GLY . 4956 1 154 . GLN . 4956 1 155 . PRO . 4956 1 156 . PHE . 4956 1 157 . GLN . 4956 1 158 . PHE . 4956 1 159 . LYS . 4956 1 160 . ASN . 4956 1 161 . PHE . 4956 1 162 . ARG . 4956 1 163 . ASP . 4956 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 4956 1 . PRO 2 2 4956 1 . SER 3 3 4956 1 . PHE 4 4 4956 1 . ASP 5 5 4956 1 . ILE 6 6 4956 1 . VAL 7 7 4956 1 . SER 8 8 4956 1 . GLU 9 9 4956 1 . VAL 10 10 4956 1 . ASP 11 11 4956 1 . LEU 12 12 4956 1 . GLN 13 13 4956 1 . GLU 14 14 4956 1 . ALA 15 15 4956 1 . ARG 16 16 4956 1 . ASN 17 17 4956 1 . ALA 18 18 4956 1 . VAL 19 19 4956 1 . ASP 20 20 4956 1 . ASN 21 21 4956 1 . ALA 22 22 4956 1 . SER 23 23 4956 1 . ARG 24 24 4956 1 . GLU 25 25 4956 1 . VAL 26 26 4956 1 . GLU 27 27 4956 1 . SER 28 28 4956 1 . ARG 29 29 4956 1 . PHE 30 30 4956 1 . ASP 31 31 4956 1 . PHE 32 32 4956 1 . ARG 33 33 4956 1 . ASN 34 34 4956 1 . VAL 35 35 4956 1 . GLU 36 36 4956 1 . ALA 37 37 4956 1 . SER 38 38 4956 1 . PHE 39 39 4956 1 . GLU 40 40 4956 1 . LEU 41 41 4956 1 . ASN 42 42 4956 1 . ASP 43 43 4956 1 . ALA 44 44 4956 1 . SER 45 45 4956 1 . LYS 46 46 4956 1 . THR 47 47 4956 1 . ILE 48 48 4956 1 . LYS 49 49 4956 1 . VAL 50 50 4956 1 . LEU 51 51 4956 1 . SER 52 52 4956 1 . GLU 53 53 4956 1 . SER 54 54 4956 1 . ASP 55 55 4956 1 . PHE 56 56 4956 1 . GLN 57 57 4956 1 . VAL 58 58 4956 1 . ASN 59 59 4956 1 . GLN 60 60 4956 1 . LEU 61 61 4956 1 . LEU 62 62 4956 1 . ASP 63 63 4956 1 . ILE 64 64 4956 1 . LEU 65 65 4956 1 . ARG 66 66 4956 1 . ALA 67 67 4956 1 . LYS 68 68 4956 1 . LEU 69 69 4956 1 . LEU 70 70 4956 1 . LYS 71 71 4956 1 . ARG 72 72 4956 1 . GLY 73 73 4956 1 . ILE 74 74 4956 1 . GLU 75 75 4956 1 . GLY 76 76 4956 1 . SER 77 77 4956 1 . SER 78 78 4956 1 . LEU 79 79 4956 1 . ASP 80 80 4956 1 . VAL 81 81 4956 1 . PRO 82 82 4956 1 . GLU 83 83 4956 1 . ASN 84 84 4956 1 . ILE 85 85 4956 1 . VAL 86 86 4956 1 . HIS 87 87 4956 1 . SER 88 88 4956 1 . GLY 89 89 4956 1 . LYS 90 90 4956 1 . THR 91 91 4956 1 . TRP 92 92 4956 1 . PHE 93 93 4956 1 . VAL 94 94 4956 1 . GLU 95 95 4956 1 . ALA 96 96 4956 1 . LYS 97 97 4956 1 . LEU 98 98 4956 1 . LYS 99 99 4956 1 . GLN 100 100 4956 1 . GLY 101 101 4956 1 . ILE 102 102 4956 1 . GLU 103 103 4956 1 . SER 104 104 4956 1 . ALA 105 105 4956 1 . THR 106 106 4956 1 . GLN 107 107 4956 1 . LYS 108 108 4956 1 . LYS 109 109 4956 1 . ILE 110 110 4956 1 . VAL 111 111 4956 1 . LYS 112 112 4956 1 . MET 113 113 4956 1 . ILE 114 114 4956 1 . LYS 115 115 4956 1 . ASP 116 116 4956 1 . SER 117 117 4956 1 . LYS 118 118 4956 1 . LEU 119 119 4956 1 . LYS 120 120 4956 1 . VAL 121 121 4956 1 . GLN 122 122 4956 1 . ALA 123 123 4956 1 . GLN 124 124 4956 1 . ILE 125 125 4956 1 . GLN 126 126 4956 1 . GLY 127 127 4956 1 . ASP 128 128 4956 1 . GLU 129 129 4956 1 . ILE 130 130 4956 1 . ARG 131 131 4956 1 . VAL 132 132 4956 1 . THR 133 133 4956 1 . GLY 134 134 4956 1 . LYS 135 135 4956 1 . SER 136 136 4956 1 . ARG 137 137 4956 1 . ASP 138 138 4956 1 . ASP 139 139 4956 1 . LEU 140 140 4956 1 . GLN 141 141 4956 1 . ALA 142 142 4956 1 . VAL 143 143 4956 1 . MET 144 144 4956 1 . ALA 145 145 4956 1 . MET 146 146 4956 1 . VAL 147 147 4956 1 . ARG 148 148 4956 1 . GLY 149 149 4956 1 . GLY 150 150 4956 1 . ASP 151 151 4956 1 . LEU 152 152 4956 1 . GLY 153 153 4956 1 . GLN 154 154 4956 1 . PRO 155 155 4956 1 . PHE 156 156 4956 1 . GLN 157 157 4956 1 . PHE 158 158 4956 1 . LYS 159 159 4956 1 . ASN 160 160 4956 1 . PHE 161 161 4956 1 . ARG 162 162 4956 1 . ASP 163 163 4956 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 4956 _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 $YajQ . 562 . . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4956 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 4956 _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 $YajQ . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4956 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4956 _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 'YajQ from E.coli' . . . 1 $YajQ . . 1.3 . . mM . . . . 4956 1 2 H2O . . . . . . . 95 . . % . . . . 4956 1 3 D2O . . . . . . . 5 . . % . . . . 4956 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4956 _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 'YajQ from E.coli' [U-15N] . . 1 $YajQ . . 1.1 . . mM . . . . 4956 2 2 H2O . . . . . . . 95 . . % . . . . 4956 2 3 D2O . . . . . . . 5 . . % . . . . 4956 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4956 _Sample.ID 3 _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 'YajQ from E.coli' '[U-15N; U-13C]' . . 1 $YajQ . . 1.0 . . mM . . . . 4956 3 2 H2O . . . . . . . 95 . . % . . . . 4956 3 3 D2O . . . . . . . 5 . . % . . . . 4956 3 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_conditions_one _Sample_condition_list.Entry_ID 4956 _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 6.5 . n/a 4956 1 temperature 308 . K 4956 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4956 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Unity . 500 . . . 4956 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 4956 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4956 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0.0 external direct . . . . . . . . . . 4956 1 H 1 H2O protons . . . . ppm 4.68 internal direct . . . . . . . . . . 4956 1 N 15 NH3 nitrogen . . . . ppm 0.0 external direct . . . . . . . . . . 4956 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_chemical_shift_assignment_Yajq _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_Yajq _Assigned_chem_shift_list.Entry_ID 4956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4956 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 3 3 SER H H 1 9.13 0.01 . 1 . . . . . . . . 4956 1 2 . 1 1 3 3 SER HA H 1 5.74 0.01 . 1 . . . . . . . . 4956 1 3 . 1 1 3 3 SER HB2 H 1 3.80 0.01 . 1 . . . . . . . . 4956 1 4 . 1 1 3 3 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 4956 1 5 . 1 1 3 3 SER N N 15 115.7 0.1 . 1 . . . . . . . . 4956 1 6 . 1 1 3 3 SER CA C 13 55.8 0.1 . 1 . . . . . . . . 4956 1 7 . 1 1 4 4 PHE H H 1 8.71 0.01 . 1 . . . . . . . . 4956 1 8 . 1 1 4 4 PHE HA H 1 4.80 0.01 . 1 . . . . . . . . 4956 1 9 . 1 1 4 4 PHE HB2 H 1 3.11 0.01 . 2 . . . . . . . . 4956 1 10 . 1 1 4 4 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 4956 1 11 . 1 1 4 4 PHE HD1 H 1 6.83 0.01 . 1 . . . . . . . . 4956 1 12 . 1 1 4 4 PHE HD2 H 1 6.83 0.01 . 1 . . . . . . . . 4956 1 13 . 1 1 4 4 PHE N N 15 115.3 0.1 . 1 . . . . . . . . 4956 1 14 . 1 1 4 4 PHE CA C 13 54.2 0.1 . 1 . . . . . . . . 4956 1 15 . 1 1 5 5 ASP H H 1 9.10 0.01 . 1 . . . . . . . . 4956 1 16 . 1 1 5 5 ASP HA H 1 5.73 0.01 . 1 . . . . . . . . 4956 1 17 . 1 1 5 5 ASP HB2 H 1 2.36 0.01 . 1 . . . . . . . . 4956 1 18 . 1 1 5 5 ASP HB3 H 1 2.36 0.01 . 1 . . . . . . . . 4956 1 19 . 1 1 5 5 ASP N N 15 119.3 0.1 . 1 . . . . . . . . 4956 1 20 . 1 1 5 5 ASP CA C 13 54.8 0.1 . 1 . . . . . . . . 4956 1 21 . 1 1 6 6 ILE H H 1 9.64 0.01 . 1 . . . . . . . . 4956 1 22 . 1 1 6 6 ILE HA H 1 4.75 0.01 . 1 . . . . . . . . 4956 1 23 . 1 1 6 6 ILE HB H 1 1.75 0.01 . 2 . . . . . . . . 4956 1 24 . 1 1 6 6 ILE N N 15 123.3 0.1 . 1 . . . . . . . . 4956 1 25 . 1 1 7 7 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 4956 1 26 . 1 1 7 7 VAL HA H 1 5.10 0.01 . 1 . . . . . . . . 4956 1 27 . 1 1 7 7 VAL HB H 1 2.28 0.01 . 1 . . . . . . . . 4956 1 28 . 1 1 7 7 VAL HG11 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 29 . 1 1 7 7 VAL HG12 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 30 . 1 1 7 7 VAL HG13 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 31 . 1 1 7 7 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 32 . 1 1 7 7 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 33 . 1 1 7 7 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 34 . 1 1 7 7 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 35 . 1 1 7 7 VAL CA C 13 56.4 0.1 . 1 . . . . . . . . 4956 1 36 . 1 1 8 8 SER H H 1 8.81 0.01 . 1 . . . . . . . . 4956 1 37 . 1 1 8 8 SER HA H 1 4.77 0.01 . 1 . . . . . . . . 4956 1 38 . 1 1 8 8 SER HB2 H 1 3.40 0.01 . 1 . . . . . . . . 4956 1 39 . 1 1 8 8 SER HB3 H 1 3.40 0.01 . 1 . . . . . . . . 4956 1 40 . 1 1 8 8 SER N N 15 115.7 0.1 . 1 . . . . . . . . 4956 1 41 . 1 1 8 8 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 4956 1 42 . 1 1 9 9 GLU H H 1 9.17 0.01 . 1 . . . . . . . . 4956 1 43 . 1 1 9 9 GLU HA H 1 4.86 0.01 . 1 . . . . . . . . 4956 1 44 . 1 1 9 9 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 4956 1 45 . 1 1 9 9 GLU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4956 1 46 . 1 1 9 9 GLU N N 15 126.7 0.1 . 1 . . . . . . . . 4956 1 47 . 1 1 9 9 GLU CA C 13 52.0 0.1 . 1 . . . . . . . . 4956 1 48 . 1 1 10 10 VAL H H 1 8.64 0.01 . 1 . . . . . . . . 4956 1 49 . 1 1 10 10 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 4956 1 50 . 1 1 10 10 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 4956 1 51 . 1 1 10 10 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 52 . 1 1 10 10 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 53 . 1 1 10 10 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 54 . 1 1 10 10 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 55 . 1 1 10 10 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 56 . 1 1 10 10 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 57 . 1 1 10 10 VAL N N 15 122.6 0.1 . 1 . . . . . . . . 4956 1 58 . 1 1 10 10 VAL CA C 13 59.1 0.1 . 1 . . . . . . . . 4956 1 59 . 1 1 11 11 ASP H H 1 8.60 0.01 . 1 . . . . . . . . 4956 1 60 . 1 1 11 11 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 4956 1 61 . 1 1 11 11 ASP HB2 H 1 2.60 0.01 . 2 . . . . . . . . 4956 1 62 . 1 1 11 11 ASP HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4956 1 63 . 1 1 11 11 ASP N N 15 127.6 0.1 . 1 . . . . . . . . 4956 1 64 . 1 1 11 11 ASP CA C 13 51.2 0.1 . 1 . . . . . . . . 4956 1 65 . 1 1 12 12 LEU H H 1 8.74 0.01 . 1 . . . . . . . . 4956 1 66 . 1 1 12 12 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 4956 1 67 . 1 1 12 12 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 68 . 1 1 12 12 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 69 . 1 1 12 12 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 4956 1 70 . 1 1 12 12 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 71 . 1 1 12 12 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 72 . 1 1 12 12 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 73 . 1 1 12 12 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 74 . 1 1 12 12 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 75 . 1 1 12 12 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 76 . 1 1 12 12 LEU N N 15 129.3 0.1 . 1 . . . . . . . . 4956 1 77 . 1 1 12 12 LEU CA C 13 55.0 0.1 . 1 . . . . . . . . 4956 1 78 . 1 1 13 13 GLN H H 1 8.42 0.01 . 1 . . . . . . . . 4956 1 79 . 1 1 13 13 GLN HA H 1 4.08 0.01 . 1 . . . . . . . . 4956 1 80 . 1 1 13 13 GLN HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4956 1 81 . 1 1 13 13 GLN HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4956 1 82 . 1 1 13 13 GLN N N 15 120.8 0.1 . 1 . . . . . . . . 4956 1 83 . 1 1 13 13 GLN CA C 13 56.5 0.1 . 1 . . . . . . . . 4956 1 84 . 1 1 14 14 GLU H H 1 7.76 0.01 . 1 . . . . . . . . 4956 1 85 . 1 1 14 14 GLU HA H 1 4.58 0.01 . 1 . . . . . . . . 4956 1 86 . 1 1 14 14 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4956 1 87 . 1 1 14 14 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 4956 1 88 . 1 1 15 15 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4956 1 89 . 1 1 15 15 ALA HA H 1 3.78 0.01 . 1 . . . . . . . . 4956 1 90 . 1 1 15 15 ALA HB1 H 1 1.25 0.01 . 1 . . . . . . . . 4956 1 91 . 1 1 15 15 ALA HB2 H 1 1.25 0.01 . 1 . . . . . . . . 4956 1 92 . 1 1 15 15 ALA HB3 H 1 1.25 0.01 . 1 . . . . . . . . 4956 1 93 . 1 1 15 15 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 4956 1 94 . 1 1 16 16 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 4956 1 95 . 1 1 16 16 ARG HA H 1 3.71 0.01 . 1 . . . . . . . . 4956 1 96 . 1 1 16 16 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4956 1 97 . 1 1 16 16 ARG N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 98 . 1 1 16 16 ARG CA C 13 58.0 0.1 . 1 . . . . . . . . 4956 1 99 . 1 1 17 17 ASN H H 1 8.03 0.01 . 1 . . . . . . . . 4956 1 100 . 1 1 17 17 ASN HA H 1 4.43 0.01 . 1 . . . . . . . . 4956 1 101 . 1 1 17 17 ASN HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4956 1 102 . 1 1 17 17 ASN HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4956 1 103 . 1 1 17 17 ASN N N 15 118.9 0.1 . 1 . . . . . . . . 4956 1 104 . 1 1 17 17 ASN CA C 13 53.6 0.1 . 1 . . . . . . . . 4956 1 105 . 1 1 18 18 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 4956 1 106 . 1 1 18 18 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4956 1 107 . 1 1 18 18 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 4956 1 108 . 1 1 18 18 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 4956 1 109 . 1 1 18 18 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 4956 1 110 . 1 1 18 18 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 4956 1 111 . 1 1 18 18 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 4956 1 112 . 1 1 19 19 VAL H H 1 8.24 0.01 . 1 . . . . . . . . 4956 1 113 . 1 1 19 19 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4956 1 114 . 1 1 19 19 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 115 . 1 1 19 19 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 116 . 1 1 19 19 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 117 . 1 1 19 19 VAL HG21 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 118 . 1 1 19 19 VAL HG22 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 119 . 1 1 19 19 VAL HG23 H 1 0.89 0.01 . 1 . . . . . . . . 4956 1 120 . 1 1 19 19 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 4956 1 121 . 1 1 19 19 VAL CA C 13 64.6 0.1 . 1 . . . . . . . . 4956 1 122 . 1 1 20 20 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 4956 1 123 . 1 1 20 20 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4956 1 124 . 1 1 20 20 ASP HB2 H 1 2.80 0.01 . 2 . . . . . . . . 4956 1 125 . 1 1 20 20 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4956 1 126 . 1 1 20 20 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 4956 1 127 . 1 1 20 20 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 4956 1 128 . 1 1 21 21 ASN H H 1 8.28 0.01 . 1 . . . . . . . . 4956 1 129 . 1 1 21 21 ASN HA H 1 4.45 0.01 . 1 . . . . . . . . 4956 1 130 . 1 1 21 21 ASN HB2 H 1 2.93 0.01 . 1 . . . . . . . . 4956 1 131 . 1 1 21 21 ASN HB3 H 1 2.93 0.01 . 1 . . . . . . . . 4956 1 132 . 1 1 21 21 ASN N N 15 119.3 0.1 . 1 . . . . . . . . 4956 1 133 . 1 1 21 21 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 4956 1 134 . 1 1 22 22 ALA H H 1 8.75 0.01 . 1 . . . . . . . . 4956 1 135 . 1 1 22 22 ALA HA H 1 3.69 0.01 . 1 . . . . . . . . 4956 1 136 . 1 1 22 22 ALA HB1 H 1 0.75 0.01 . 1 . . . . . . . . 4956 1 137 . 1 1 22 22 ALA HB2 H 1 0.75 0.01 . 1 . . . . . . . . 4956 1 138 . 1 1 22 22 ALA HB3 H 1 0.75 0.01 . 1 . . . . . . . . 4956 1 139 . 1 1 22 22 ALA N N 15 126.5 0.1 . 1 . . . . . . . . 4956 1 140 . 1 1 22 22 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4956 1 141 . 1 1 23 23 SER H H 1 8.61 0.01 . 1 . . . . . . . . 4956 1 142 . 1 1 23 23 SER HA H 1 4.30 0.01 . 1 . . . . . . . . 4956 1 143 . 1 1 23 23 SER HB2 H 1 4.09 0.01 . 1 . . . . . . . . 4956 1 144 . 1 1 23 23 SER HB3 H 1 4.09 0.01 . 1 . . . . . . . . 4956 1 145 . 1 1 23 23 SER N N 15 116.4 0.1 . 1 . . . . . . . . 4956 1 146 . 1 1 23 23 SER CA C 13 52.6 0.1 . 1 . . . . . . . . 4956 1 147 . 1 1 24 24 ARG H H 1 8.03 0.01 . 1 . . . . . . . . 4956 1 148 . 1 1 24 24 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 4956 1 149 . 1 1 24 24 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4956 1 150 . 1 1 24 24 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 4956 1 151 . 1 1 24 24 ARG CA C 13 57.1 0.1 . 1 . . . . . . . . 4956 1 152 . 1 1 25 25 GLU H H 1 7.87 0.01 . 1 . . . . . . . . 4956 1 153 . 1 1 25 25 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 4956 1 154 . 1 1 25 25 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4956 1 155 . 1 1 25 25 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 4956 1 156 . 1 1 25 25 GLU CA C 13 57.6 0.1 . 1 . . . . . . . . 4956 1 157 . 1 1 26 26 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 4956 1 158 . 1 1 26 26 VAL HA H 1 3.33 0.01 . 1 . . . . . . . . 4956 1 159 . 1 1 26 26 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 4956 1 160 . 1 1 26 26 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 4956 1 161 . 1 1 26 26 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 4956 1 162 . 1 1 26 26 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 4956 1 163 . 1 1 26 26 VAL HG21 H 1 0.69 0.01 . 2 . . . . . . . . 4956 1 164 . 1 1 26 26 VAL HG22 H 1 0.69 0.01 . 2 . . . . . . . . 4956 1 165 . 1 1 26 26 VAL HG23 H 1 0.69 0.01 . 2 . . . . . . . . 4956 1 166 . 1 1 26 26 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 4956 1 167 . 1 1 26 26 VAL CA C 13 64.9 0.1 . 1 . . . . . . . . 4956 1 168 . 1 1 27 27 GLU H H 1 7.72 0.01 . 1 . . . . . . . . 4956 1 169 . 1 1 27 27 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 4956 1 170 . 1 1 27 27 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4956 1 171 . 1 1 27 27 GLU HB3 H 1 2.19 0.01 . 2 . . . . . . . . 4956 1 172 . 1 1 27 27 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 4956 1 173 . 1 1 27 27 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4956 1 174 . 1 1 28 28 SER H H 1 7.54 0.01 . 1 . . . . . . . . 4956 1 175 . 1 1 28 28 SER HA H 1 4.03 0.01 . 1 . . . . . . . . 4956 1 176 . 1 1 28 28 SER HB2 H 1 3.67 0.01 . 2 . . . . . . . . 4956 1 177 . 1 1 28 28 SER N N 15 112.4 0.1 . 1 . . . . . . . . 4956 1 178 . 1 1 28 28 SER CA C 13 57.1 0.1 . 1 . . . . . . . . 4956 1 179 . 1 1 29 29 ARG H H 1 7.63 0.01 . 1 . . . . . . . . 4956 1 180 . 1 1 29 29 ARG HA H 1 4.50 0.01 . 1 . . . . . . . . 4956 1 181 . 1 1 29 29 ARG HB2 H 1 2.25 0.01 . 2 . . . . . . . . 4956 1 182 . 1 1 29 29 ARG N N 15 123.3 0.1 . 1 . . . . . . . . 4956 1 183 . 1 1 29 29 ARG CA C 13 53.4 0.1 . 1 . . . . . . . . 4956 1 184 . 1 1 30 30 PHE H H 1 7.53 0.01 . 1 . . . . . . . . 4956 1 185 . 1 1 30 30 PHE HA H 1 4.65 0.01 . 1 . . . . . . . . 4956 1 186 . 1 1 30 30 PHE HB2 H 1 3.37 0.01 . 2 . . . . . . . . 4956 1 187 . 1 1 30 30 PHE HB3 H 1 3.16 0.01 . 2 . . . . . . . . 4956 1 188 . 1 1 30 30 PHE N N 15 114.7 0.1 . 1 . . . . . . . . 4956 1 189 . 1 1 31 31 ASP H H 1 9.09 0.01 . 1 . . . . . . . . 4956 1 190 . 1 1 31 31 ASP HA H 1 4.25 0.01 . 1 . . . . . . . . 4956 1 191 . 1 1 31 31 ASP HB2 H 1 2.50 0.01 . 1 . . . . . . . . 4956 1 192 . 1 1 31 31 ASP HB3 H 1 2.50 0.01 . 1 . . . . . . . . 4956 1 193 . 1 1 31 31 ASP N N 15 115.6 0.1 . 1 . . . . . . . . 4956 1 194 . 1 1 31 31 ASP CA C 13 51.4 0.1 . 1 . . . . . . . . 4956 1 195 . 1 1 32 32 PHE H H 1 7.46 0.01 . 1 . . . . . . . . 4956 1 196 . 1 1 32 32 PHE HA H 1 4.47 0.01 . 1 . . . . . . . . 4956 1 197 . 1 1 32 32 PHE HB2 H 1 3.51 0.01 . 2 . . . . . . . . 4956 1 198 . 1 1 32 32 PHE HB3 H 1 2.79 0.01 . 2 . . . . . . . . 4956 1 199 . 1 1 32 32 PHE HD1 H 1 7.07 0.01 . 1 . . . . . . . . 4956 1 200 . 1 1 32 32 PHE HD2 H 1 7.07 0.01 . 1 . . . . . . . . 4956 1 201 . 1 1 32 32 PHE N N 15 118.0 0.1 . 1 . . . . . . . . 4956 1 202 . 1 1 32 32 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 4956 1 203 . 1 1 33 33 ARG H H 1 7.26 0.01 . 1 . . . . . . . . 4956 1 204 . 1 1 33 33 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 4956 1 205 . 1 1 33 33 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 4956 1 206 . 1 1 33 33 ARG HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4956 1 207 . 1 1 33 33 ARG N N 15 121.7 0.1 . 1 . . . . . . . . 4956 1 208 . 1 1 33 33 ARG CA C 13 56.6 0.1 . 1 . . . . . . . . 4956 1 209 . 1 1 34 34 ASN H H 1 8.99 0.01 . 1 . . . . . . . . 4956 1 210 . 1 1 34 34 ASN HA H 1 4.53 0.01 . 1 . . . . . . . . 4956 1 211 . 1 1 34 34 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4956 1 212 . 1 1 34 34 ASN HB3 H 1 3.04 0.01 . 2 . . . . . . . . 4956 1 213 . 1 1 34 34 ASN N N 15 118.5 0.1 . 1 . . . . . . . . 4956 1 214 . 1 1 34 34 ASN CA C 13 51.2 0.1 . 1 . . . . . . . . 4956 1 215 . 1 1 35 35 VAL H H 1 7.47 0.01 . 1 . . . . . . . . 4956 1 216 . 1 1 35 35 VAL HA H 1 4.23 0.01 . 1 . . . . . . . . 4956 1 217 . 1 1 35 35 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 4956 1 218 . 1 1 35 35 VAL HG11 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 219 . 1 1 35 35 VAL HG12 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 220 . 1 1 35 35 VAL HG13 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 221 . 1 1 35 35 VAL HG21 H 1 0.75 0.01 . 2 . . . . . . . . 4956 1 222 . 1 1 35 35 VAL HG22 H 1 0.75 0.01 . 2 . . . . . . . . 4956 1 223 . 1 1 35 35 VAL HG23 H 1 0.75 0.01 . 2 . . . . . . . . 4956 1 224 . 1 1 35 35 VAL N N 15 119.3 0.1 . 1 . . . . . . . . 4956 1 225 . 1 1 35 35 VAL CA C 13 59.0 0.1 . 1 . . . . . . . . 4956 1 226 . 1 1 36 36 GLU H H 1 9.37 0.01 . 1 . . . . . . . . 4956 1 227 . 1 1 36 36 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 4956 1 228 . 1 1 36 36 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4956 1 229 . 1 1 36 36 GLU HB3 H 1 2.15 0.01 . 2 . . . . . . . . 4956 1 230 . 1 1 36 36 GLU N N 15 128.7 0.1 . 1 . . . . . . . . 4956 1 231 . 1 1 36 36 GLU CA C 13 55.2 0.1 . 1 . . . . . . . . 4956 1 232 . 1 1 37 37 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 4956 1 233 . 1 1 37 37 ALA HA H 1 5.18 0.01 . 1 . . . . . . . . 4956 1 234 . 1 1 37 37 ALA HB1 H 1 1.24 0.01 . 1 . . . . . . . . 4956 1 235 . 1 1 37 37 ALA HB2 H 1 1.24 0.01 . 1 . . . . . . . . 4956 1 236 . 1 1 37 37 ALA HB3 H 1 1.24 0.01 . 1 . . . . . . . . 4956 1 237 . 1 1 37 37 ALA N N 15 130.2 0.1 . 1 . . . . . . . . 4956 1 238 . 1 1 37 37 ALA CA C 13 51.0 0.1 . 1 . . . . . . . . 4956 1 239 . 1 1 38 38 SER H H 1 8.77 0.01 . 1 . . . . . . . . 4956 1 240 . 1 1 38 38 SER HA H 1 4.70 0.01 . 1 . . . . . . . . 4956 1 241 . 1 1 38 38 SER HB2 H 1 3.79 0.01 . 1 . . . . . . . . 4956 1 242 . 1 1 38 38 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4956 1 243 . 1 1 38 38 SER N N 15 116.8 0.1 . 1 . . . . . . . . 4956 1 244 . 1 1 38 38 SER CA C 13 54.8 0.1 . 1 . . . . . . . . 4956 1 245 . 1 1 39 39 PHE H H 1 8.39 0.01 . 1 . . . . . . . . 4956 1 246 . 1 1 39 39 PHE HA H 1 5.48 0.01 . 1 . . . . . . . . 4956 1 247 . 1 1 39 39 PHE HB2 H 1 2.87 0.01 . 2 . . . . . . . . 4956 1 248 . 1 1 39 39 PHE HB3 H 1 2.65 0.01 . 2 . . . . . . . . 4956 1 249 . 1 1 39 39 PHE HD1 H 1 7.21 0.01 . 1 . . . . . . . . 4956 1 250 . 1 1 39 39 PHE HD2 H 1 7.21 0.01 . 1 . . . . . . . . 4956 1 251 . 1 1 39 39 PHE N N 15 118.2 0.1 . 1 . . . . . . . . 4956 1 252 . 1 1 39 39 PHE CA C 13 53.5 0.1 . 1 . . . . . . . . 4956 1 253 . 1 1 40 40 GLU H H 1 8.80 0.01 . 1 . . . . . . . . 4956 1 254 . 1 1 40 40 GLU HA H 1 4.69 0.01 . 1 . . . . . . . . 4956 1 255 . 1 1 40 40 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4956 1 256 . 1 1 40 40 GLU HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4956 1 257 . 1 1 40 40 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 4956 1 258 . 1 1 40 40 GLU CA C 13 52.9 0.1 . 1 . . . . . . . . 4956 1 259 . 1 1 41 41 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 4956 1 260 . 1 1 41 41 LEU HA H 1 4.99 0.01 . 1 . . . . . . . . 4956 1 261 . 1 1 41 41 LEU HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4956 1 262 . 1 1 41 41 LEU HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4956 1 263 . 1 1 41 41 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 4956 1 264 . 1 1 41 41 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 265 . 1 1 41 41 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 266 . 1 1 41 41 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 267 . 1 1 41 41 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 268 . 1 1 41 41 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 269 . 1 1 41 41 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 4956 1 270 . 1 1 41 41 LEU N N 15 130.6 0.1 . 1 . . . . . . . . 4956 1 271 . 1 1 41 41 LEU CA C 13 51.4 0.1 . 1 . . . . . . . . 4956 1 272 . 1 1 42 42 ASN H H 1 9.10 0.01 . 1 . . . . . . . . 4956 1 273 . 1 1 42 42 ASN HA H 1 5.00 0.01 . 1 . . . . . . . . 4956 1 274 . 1 1 42 42 ASN HB2 H 1 3.22 0.01 . 2 . . . . . . . . 4956 1 275 . 1 1 42 42 ASN HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4956 1 276 . 1 1 42 42 ASN N N 15 128.2 0.1 . 1 . . . . . . . . 4956 1 277 . 1 1 42 42 ASN CA C 13 51.2 0.1 . 1 . . . . . . . . 4956 1 278 . 1 1 43 43 ASP H H 1 8.81 0.01 . 1 . . . . . . . . 4956 1 279 . 1 1 43 43 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4956 1 280 . 1 1 43 43 ASP HB2 H 1 2.70 0.01 . 1 . . . . . . . . 4956 1 281 . 1 1 43 43 ASP HB3 H 1 2.70 0.01 . 1 . . . . . . . . 4956 1 282 . 1 1 43 43 ASP N N 15 126.2 0.1 . 1 . . . . . . . . 4956 1 283 . 1 1 43 43 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 4956 1 284 . 1 1 44 44 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 4956 1 285 . 1 1 44 44 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4956 1 286 . 1 1 44 44 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 4956 1 287 . 1 1 44 44 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4956 1 288 . 1 1 44 44 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4956 1 289 . 1 1 44 44 ALA N N 15 121.5 0.1 . 1 . . . . . . . . 4956 1 290 . 1 1 44 44 ALA CA C 13 51.2 0.1 . 1 . . . . . . . . 4956 1 291 . 1 1 45 45 SER H H 1 7.67 0.01 . 1 . . . . . . . . 4956 1 292 . 1 1 45 45 SER HA H 1 4.50 0.01 . 1 . . . . . . . . 4956 1 293 . 1 1 45 45 SER HB2 H 1 3.94 0.01 . 2 . . . . . . . . 4956 1 294 . 1 1 45 45 SER HB3 H 1 3.77 0.01 . 2 . . . . . . . . 4956 1 295 . 1 1 45 45 SER N N 15 119.6 0.1 . 1 . . . . . . . . 4956 1 296 . 1 1 45 45 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 4956 1 297 . 1 1 46 46 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 4956 1 298 . 1 1 46 46 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 4956 1 299 . 1 1 46 46 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4956 1 300 . 1 1 46 46 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4956 1 301 . 1 1 46 46 LYS N N 15 120.7 0.1 . 1 . . . . . . . . 4956 1 302 . 1 1 46 46 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 4956 1 303 . 1 1 47 47 THR H H 1 7.57 0.01 . 1 . . . . . . . . 4956 1 304 . 1 1 47 47 THR HA H 1 5.25 0.01 . 1 . . . . . . . . 4956 1 305 . 1 1 47 47 THR HB H 1 3.99 0.01 . 1 . . . . . . . . 4956 1 306 . 1 1 47 47 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 4956 1 307 . 1 1 47 47 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 4956 1 308 . 1 1 47 47 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 4956 1 309 . 1 1 47 47 THR N N 15 108.1 0.1 . 1 . . . . . . . . 4956 1 310 . 1 1 47 47 THR CA C 13 57.8 0.1 . 1 . . . . . . . . 4956 1 311 . 1 1 48 48 ILE H H 1 9.24 0.01 . 1 . . . . . . . . 4956 1 312 . 1 1 48 48 ILE HA H 1 4.94 0.01 . 1 . . . . . . . . 4956 1 313 . 1 1 48 48 ILE N N 15 122.4 0.1 . 1 . . . . . . . . 4956 1 314 . 1 1 48 48 ILE CA C 13 58.0 0.1 . 1 . . . . . . . . 4956 1 315 . 1 1 49 49 LYS H H 1 9.15 0.01 . 1 . . . . . . . . 4956 1 316 . 1 1 49 49 LYS HA H 1 5.17 0.01 . 1 . . . . . . . . 4956 1 317 . 1 1 49 49 LYS HB2 H 1 1.80 0.01 . 2 . . . . . . . . 4956 1 318 . 1 1 49 49 LYS N N 15 130.4 0.1 . 1 . . . . . . . . 4956 1 319 . 1 1 49 49 LYS CA C 13 53.3 0.1 . 1 . . . . . . . . 4956 1 320 . 1 1 50 50 VAL H H 1 9.01 0.01 . 1 . . . . . . . . 4956 1 321 . 1 1 50 50 VAL HA H 1 4.57 0.01 . 1 . . . . . . . . 4956 1 322 . 1 1 50 50 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4956 1 323 . 1 1 50 50 VAL HG11 H 1 1.04 0.01 . 2 . . . . . . . . 4956 1 324 . 1 1 50 50 VAL HG12 H 1 1.04 0.01 . 2 . . . . . . . . 4956 1 325 . 1 1 50 50 VAL HG13 H 1 1.04 0.01 . 2 . . . . . . . . 4956 1 326 . 1 1 50 50 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 327 . 1 1 50 50 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 328 . 1 1 50 50 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 4956 1 329 . 1 1 50 50 VAL N N 15 130.6 0.1 . 1 . . . . . . . . 4956 1 330 . 1 1 50 50 VAL CA C 13 59.4 0.1 . 1 . . . . . . . . 4956 1 331 . 1 1 51 51 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 4956 1 332 . 1 1 51 51 LEU HA H 1 5.54 0.01 . 1 . . . . . . . . 4956 1 333 . 1 1 51 51 LEU HB2 H 1 1.67 0.01 . 1 . . . . . . . . 4956 1 334 . 1 1 51 51 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 4956 1 335 . 1 1 51 51 LEU HG H 1 1.41 0.01 . 1 . . . . . . . . 4956 1 336 . 1 1 51 51 LEU HD11 H 1 0.72 0.01 . 2 . . . . . . . . 4956 1 337 . 1 1 51 51 LEU HD12 H 1 0.72 0.01 . 2 . . . . . . . . 4956 1 338 . 1 1 51 51 LEU HD13 H 1 0.72 0.01 . 2 . . . . . . . . 4956 1 339 . 1 1 51 51 LEU N N 15 128.4 0.1 . 1 . . . . . . . . 4956 1 340 . 1 1 51 51 LEU CA C 13 51.3 0.1 . 1 . . . . . . . . 4956 1 341 . 1 1 52 52 SER H H 1 9.17 0.01 . 1 . . . . . . . . 4956 1 342 . 1 1 52 52 SER HA H 1 4.90 0.01 . 1 . . . . . . . . 4956 1 343 . 1 1 52 52 SER N N 15 116.4 0.1 . 1 . . . . . . . . 4956 1 344 . 1 1 52 52 SER CA C 13 54.6 0.1 . 1 . . . . . . . . 4956 1 345 . 1 1 53 53 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 4956 1 346 . 1 1 53 53 GLU HA H 1 4.99 0.01 . 1 . . . . . . . . 4956 1 347 . 1 1 53 53 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4956 1 348 . 1 1 53 53 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4956 1 349 . 1 1 53 53 GLU HG2 H 1 2.67 0.01 . 1 . . . . . . . . 4956 1 350 . 1 1 53 53 GLU HG3 H 1 2.67 0.01 . 1 . . . . . . . . 4956 1 351 . 1 1 53 53 GLU N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 352 . 1 1 53 53 GLU CA C 13 51.4 0.1 . 1 . . . . . . . . 4956 1 353 . 1 1 54 54 SER H H 1 7.51 0.01 . 1 . . . . . . . . 4956 1 354 . 1 1 54 54 SER HA H 1 3.16 0.01 . 1 . . . . . . . . 4956 1 355 . 1 1 54 54 SER N N 15 109.6 0.1 . 1 . . . . . . . . 4956 1 356 . 1 1 54 54 SER CA C 13 55.2 0.1 . 1 . . . . . . . . 4956 1 357 . 1 1 55 55 ASP H H 1 7.67 0.01 . 1 . . . . . . . . 4956 1 358 . 1 1 55 55 ASP HA H 1 3.70 0.01 . 1 . . . . . . . . 4956 1 359 . 1 1 55 55 ASP HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4956 1 360 . 1 1 55 55 ASP HB3 H 1 2.35 0.01 . 2 . . . . . . . . 4956 1 361 . 1 1 55 55 ASP N N 15 121.4 0.1 . 1 . . . . . . . . 4956 1 362 . 1 1 55 55 ASP CA C 13 54.5 0.1 . 1 . . . . . . . . 4956 1 363 . 1 1 56 56 PHE H H 1 8.08 0.01 . 1 . . . . . . . . 4956 1 364 . 1 1 56 56 PHE HA H 1 4.28 0.01 . 1 . . . . . . . . 4956 1 365 . 1 1 56 56 PHE HB2 H 1 3.19 0.01 . 2 . . . . . . . . 4956 1 366 . 1 1 56 56 PHE HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4956 1 367 . 1 1 56 56 PHE HD1 H 1 7.13 0.01 . 1 . . . . . . . . 4956 1 368 . 1 1 56 56 PHE HD2 H 1 7.13 0.01 . 1 . . . . . . . . 4956 1 369 . 1 1 56 56 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 4956 1 370 . 1 1 56 56 PHE CA C 13 60.0 0.1 . 1 . . . . . . . . 4956 1 371 . 1 1 57 57 GLN H H 1 7.79 0.01 . 1 . . . . . . . . 4956 1 372 . 1 1 57 57 GLN HA H 1 4.20 0.01 . 2 . . . . . . . . 4956 1 373 . 1 1 57 57 GLN HB2 H 1 2.05 0.01 . 1 . . . . . . . . 4956 1 374 . 1 1 57 57 GLN HB3 H 1 2.05 0.01 . 1 . . . . . . . . 4956 1 375 . 1 1 57 57 GLN HG2 H 1 2.35 0.01 . 1 . . . . . . . . 4956 1 376 . 1 1 57 57 GLN HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4956 1 377 . 1 1 57 57 GLN N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 378 . 1 1 57 57 GLN CA C 13 57.4 0.1 . 1 . . . . . . . . 4956 1 379 . 1 1 58 58 VAL H H 1 7.84 0.01 . 1 . . . . . . . . 4956 1 380 . 1 1 58 58 VAL HA H 1 3.42 0.01 . 1 . . . . . . . . 4956 1 381 . 1 1 58 58 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 4956 1 382 . 1 1 58 58 VAL HG11 H 1 0.99 0.01 . 2 . . . . . . . . 4956 1 383 . 1 1 58 58 VAL HG12 H 1 0.99 0.01 . 2 . . . . . . . . 4956 1 384 . 1 1 58 58 VAL HG13 H 1 0.99 0.01 . 2 . . . . . . . . 4956 1 385 . 1 1 58 58 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 386 . 1 1 58 58 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 387 . 1 1 58 58 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 388 . 1 1 58 58 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 4956 1 389 . 1 1 58 58 VAL CA C 13 65.6 0.1 . 1 . . . . . . . . 4956 1 390 . 1 1 59 59 ASN H H 1 7.95 0.01 . 1 . . . . . . . . 4956 1 391 . 1 1 59 59 ASN HA H 1 4.47 0.01 . 1 . . . . . . . . 4956 1 392 . 1 1 59 59 ASN HB2 H 1 2.75 0.01 . 1 . . . . . . . . 4956 1 393 . 1 1 59 59 ASN HB3 H 1 2.75 0.01 . 1 . . . . . . . . 4956 1 394 . 1 1 59 59 ASN N N 15 118.4 0.1 . 1 . . . . . . . . 4956 1 395 . 1 1 59 59 ASN CA C 13 54.7 0.1 . 1 . . . . . . . . 4956 1 396 . 1 1 60 60 GLN H H 1 7.98 0.01 . 1 . . . . . . . . 4956 1 397 . 1 1 60 60 GLN HA H 1 4.15 0.01 . 1 . . . . . . . . 4956 1 398 . 1 1 60 60 GLN HB2 H 1 2.54 0.01 . 2 . . . . . . . . 4956 1 399 . 1 1 60 60 GLN HB3 H 1 2.14 0.01 . 2 . . . . . . . . 4956 1 400 . 1 1 60 60 GLN N N 15 120.4 0.1 . 1 . . . . . . . . 4956 1 401 . 1 1 60 60 GLN CA C 13 57.6 0.1 . 1 . . . . . . . . 4956 1 402 . 1 1 61 61 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 4956 1 403 . 1 1 61 61 LEU HA H 1 4.02 0.01 . 1 . . . . . . . . 4956 1 404 . 1 1 61 61 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 4956 1 405 . 1 1 61 61 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . 4956 1 406 . 1 1 62 62 LEU H H 1 8.69 0.01 . 1 . . . . . . . . 4956 1 407 . 1 1 62 62 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 4956 1 408 . 1 1 62 62 LEU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4956 1 409 . 1 1 62 62 LEU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4956 1 410 . 1 1 62 62 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 4956 1 411 . 1 1 62 62 LEU HD11 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 412 . 1 1 62 62 LEU HD12 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 413 . 1 1 62 62 LEU HD13 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 414 . 1 1 62 62 LEU HD21 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 415 . 1 1 62 62 LEU HD22 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 416 . 1 1 62 62 LEU HD23 H 1 0.85 0.01 . 1 . . . . . . . . 4956 1 417 . 1 1 62 62 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 4956 1 418 . 1 1 62 62 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4956 1 419 . 1 1 63 63 ASP H H 1 7.79 0.01 . 1 . . . . . . . . 4956 1 420 . 1 1 63 63 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 4956 1 421 . 1 1 63 63 ASP HB2 H 1 2.90 0.01 . 2 . . . . . . . . 4956 1 422 . 1 1 63 63 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4956 1 423 . 1 1 63 63 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 4956 1 424 . 1 1 63 63 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 4956 1 425 . 1 1 64 64 ILE H H 1 7.73 0.01 . 1 . . . . . . . . 4956 1 426 . 1 1 64 64 ILE HA H 1 3.82 0.01 . 1 . . . . . . . . 4956 1 427 . 1 1 64 64 ILE N N 15 123.1 0.1 . 1 . . . . . . . . 4956 1 428 . 1 1 64 64 ILE CA C 13 62.6 0.1 . 1 . . . . . . . . 4956 1 429 . 1 1 65 65 LEU H H 1 8.64 0.01 . 1 . . . . . . . . 4956 1 430 . 1 1 65 65 LEU HA H 1 3.64 0.01 . 1 . . . . . . . . 4956 1 431 . 1 1 65 65 LEU HB2 H 1 1.60 0.01 . 1 . . . . . . . . 4956 1 432 . 1 1 65 65 LEU HB3 H 1 1.60 0.01 . 1 . . . . . . . . 4956 1 433 . 1 1 65 65 LEU N N 15 120.9 0.1 . 1 . . . . . . . . 4956 1 434 . 1 1 65 65 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4956 1 435 . 1 1 66 66 ARG H H 1 8.96 0.01 . 1 . . . . . . . . 4956 1 436 . 1 1 66 66 ARG HA H 1 3.79 0.01 . 1 . . . . . . . . 4956 1 437 . 1 1 66 66 ARG N N 15 118.0 0.1 . 1 . . . . . . . . 4956 1 438 . 1 1 66 66 ARG CA C 13 58.3 0.1 . 1 . . . . . . . . 4956 1 439 . 1 1 67 67 ALA H H 1 7.65 0.01 . 1 . . . . . . . . 4956 1 440 . 1 1 67 67 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4956 1 441 . 1 1 67 67 ALA HB1 H 1 1.59 0.01 . 1 . . . . . . . . 4956 1 442 . 1 1 67 67 ALA HB2 H 1 1.59 0.01 . 1 . . . . . . . . 4956 1 443 . 1 1 67 67 ALA HB3 H 1 1.59 0.01 . 1 . . . . . . . . 4956 1 444 . 1 1 67 67 ALA N N 15 122.0 0.1 . 1 . . . . . . . . 4956 1 445 . 1 1 67 67 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 4956 1 446 . 1 1 68 68 LYS H H 1 8.17 0.01 . 1 . . . . . . . . 4956 1 447 . 1 1 68 68 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 4956 1 448 . 1 1 68 68 LYS N N 15 117.1 0.1 . 1 . . . . . . . . 4956 1 449 . 1 1 68 68 LYS CA C 13 54.8 0.1 . 1 . . . . . . . . 4956 1 450 . 1 1 69 69 LEU H H 1 8.71 0.01 . 1 . . . . . . . . 4956 1 451 . 1 1 69 69 LEU HA H 1 3.77 0.01 . 1 . . . . . . . . 4956 1 452 . 1 1 69 69 LEU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4956 1 453 . 1 1 69 69 LEU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4956 1 454 . 1 1 69 69 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 4956 1 455 . 1 1 69 69 LEU HD11 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 456 . 1 1 69 69 LEU HD12 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 457 . 1 1 69 69 LEU HD13 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 458 . 1 1 69 69 LEU HD21 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 459 . 1 1 69 69 LEU HD22 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 460 . 1 1 69 69 LEU HD23 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 461 . 1 1 70 70 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 4956 1 462 . 1 1 70 70 LEU CA C 13 56.4 0.1 . 1 . . . . . . . . 4956 1 463 . 1 1 70 70 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 4956 1 464 . 1 1 70 70 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 4956 1 465 . 1 1 70 70 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 466 . 1 1 70 70 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 467 . 1 1 71 71 LYS H H 1 7.46 0.01 . 1 . . . . . . . . 4956 1 468 . 1 1 71 71 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 4956 1 469 . 1 1 71 71 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4956 1 470 . 1 1 71 71 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 4956 1 471 . 1 1 72 72 ARG H H 1 7.40 0.01 . 1 . . . . . . . . 4956 1 472 . 1 1 72 72 ARG HA H 1 4.47 0.01 . 1 . . . . . . . . 4956 1 473 . 1 1 72 72 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 4956 1 474 . 1 1 72 72 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 4956 1 475 . 1 1 72 72 ARG N N 15 116.4 0.1 . 1 . . . . . . . . 4956 1 476 . 1 1 72 72 ARG CA C 13 50.6 0.1 . 1 . . . . . . . . 4956 1 477 . 1 1 73 73 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 4956 1 478 . 1 1 73 73 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4956 1 479 . 1 1 73 73 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 4956 1 480 . 1 1 73 73 GLY N N 15 107.2 0.1 . 1 . . . . . . . . 4956 1 481 . 1 1 73 73 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4956 1 482 . 1 1 74 74 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 4956 1 483 . 1 1 74 74 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4956 1 484 . 1 1 74 74 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 4956 1 485 . 1 1 74 74 ILE N N 15 123.8 0.1 . 1 . . . . . . . . 4956 1 486 . 1 1 74 74 ILE CA C 13 58.0 0.1 . 1 . . . . . . . . 4956 1 487 . 1 1 75 75 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 4956 1 488 . 1 1 75 75 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4956 1 489 . 1 1 75 75 GLU HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4956 1 490 . 1 1 75 75 GLU HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4956 1 491 . 1 1 75 75 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 4956 1 492 . 1 1 75 75 GLU N N 15 126.1 0.1 . 1 . . . . . . . . 4956 1 493 . 1 1 75 75 GLU CA C 13 54.2 0.1 . 1 . . . . . . . . 4956 1 494 . 1 1 76 76 GLY H H 1 8.68 0.01 . 1 . . . . . . . . 4956 1 495 . 1 1 76 76 GLY HA2 H 1 3.97 0.01 . 2 . . . . . . . . 4956 1 496 . 1 1 76 76 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4956 1 497 . 1 1 76 76 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4956 1 498 . 1 1 76 76 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4956 1 499 . 1 1 77 77 SER H H 1 7.98 0.01 . 1 . . . . . . . . 4956 1 500 . 1 1 77 77 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 4956 1 501 . 1 1 77 77 SER N N 15 114.0 0.1 . 1 . . . . . . . . 4956 1 502 . 1 1 77 77 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 4956 1 503 . 1 1 78 78 SER H H 1 7.98 0.01 . 1 . . . . . . . . 4956 1 504 . 1 1 78 78 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 4956 1 505 . 1 1 78 78 SER HB2 H 1 3.92 0.01 . 2 . . . . . . . . 4956 1 506 . 1 1 78 78 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 4956 1 507 . 1 1 78 78 SER N N 15 117.5 0.1 . 1 . . . . . . . . 4956 1 508 . 1 1 78 78 SER CA C 13 58.2 0.1 . 1 . . . . . . . . 4956 1 509 . 1 1 79 79 LEU H H 1 7.58 0.01 . 1 . . . . . . . . 4956 1 510 . 1 1 79 79 LEU HA H 1 4.94 0.01 . 1 . . . . . . . . 4956 1 511 . 1 1 79 79 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 512 . 1 1 79 79 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4956 1 513 . 1 1 79 79 LEU HG H 1 1.20 0.01 . 1 . . . . . . . . 4956 1 514 . 1 1 79 79 LEU HD11 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 515 . 1 1 79 79 LEU HD12 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 516 . 1 1 79 79 LEU HD13 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 517 . 1 1 79 79 LEU HD21 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 518 . 1 1 79 79 LEU HD22 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 519 . 1 1 79 79 LEU HD23 H 1 0.65 0.01 . 1 . . . . . . . . 4956 1 520 . 1 1 79 79 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 4956 1 521 . 1 1 79 79 LEU CA C 13 50.7 0.1 . 1 . . . . . . . . 4956 1 522 . 1 1 80 80 ASP H H 1 9.40 0.01 . 1 . . . . . . . . 4956 1 523 . 1 1 80 80 ASP HA H 1 4.86 0.01 . 1 . . . . . . . . 4956 1 524 . 1 1 80 80 ASP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 4956 1 525 . 1 1 80 80 ASP HB3 H 1 2.36 0.01 . 2 . . . . . . . . 4956 1 526 . 1 1 80 80 ASP N N 15 127.9 0.1 . 1 . . . . . . . . 4956 1 527 . 1 1 80 80 ASP CA C 13 50.0 0.1 . 1 . . . . . . . . 4956 1 528 . 1 1 81 81 VAL H H 1 8.49 0.01 . 1 . . . . . . . . 4956 1 529 . 1 1 81 81 VAL HA H 1 4.51 0.01 . 1 . . . . . . . . 4956 1 530 . 1 1 81 81 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 4956 1 531 . 1 1 81 81 VAL HG11 H 1 1.05 0.01 . 2 . . . . . . . . 4956 1 532 . 1 1 81 81 VAL HG12 H 1 1.05 0.01 . 2 . . . . . . . . 4956 1 533 . 1 1 81 81 VAL HG13 H 1 1.05 0.01 . 2 . . . . . . . . 4956 1 534 . 1 1 81 81 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 535 . 1 1 81 81 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 536 . 1 1 81 81 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 4956 1 537 . 1 1 81 81 VAL N N 15 127.3 0.1 . 1 . . . . . . . . 4956 1 538 . 1 1 81 81 VAL CA C 13 57.5 0.1 . 1 . . . . . . . . 4956 1 539 . 1 1 83 83 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 4956 1 540 . 1 1 83 83 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 4956 1 541 . 1 1 83 83 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4956 1 542 . 1 1 83 83 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4956 1 543 . 1 1 83 83 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 4956 1 544 . 1 1 83 83 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 4956 1 545 . 1 1 83 83 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 4956 1 546 . 1 1 83 83 GLU CA C 13 54.9 0.1 . 1 . . . . . . . . 4956 1 547 . 1 1 84 84 ASN H H 1 7.62 0.01 . 1 . . . . . . . . 4956 1 548 . 1 1 84 84 ASN HA H 1 4.89 0.01 . 1 . . . . . . . . 4956 1 549 . 1 1 84 84 ASN HB2 H 1 2.65 0.01 . 1 . . . . . . . . 4956 1 550 . 1 1 84 84 ASN HB3 H 1 2.65 0.01 . 1 . . . . . . . . 4956 1 551 . 1 1 84 84 ASN N N 15 115.7 0.1 . 1 . . . . . . . . 4956 1 552 . 1 1 84 84 ASN CA C 13 49.0 0.1 . 1 . . . . . . . . 4956 1 553 . 1 1 85 85 ILE H H 1 8.29 0.01 . 1 . . . . . . . . 4956 1 554 . 1 1 85 85 ILE HA H 1 4.07 0.01 . 1 . . . . . . . . 4956 1 555 . 1 1 85 85 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 4956 1 556 . 1 1 85 85 ILE N N 15 124.3 0.1 . 1 . . . . . . . . 4956 1 557 . 1 1 85 85 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 4956 1 558 . 1 1 86 86 VAL H H 1 8.50 0.01 . 1 . . . . . . . . 4956 1 559 . 1 1 86 86 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 4956 1 560 . 1 1 86 86 VAL HB H 1 0.81 0.01 . 1 . . . . . . . . 4956 1 561 . 1 1 86 86 VAL HG11 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 562 . 1 1 86 86 VAL HG12 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 563 . 1 1 86 86 VAL HG13 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 564 . 1 1 86 86 VAL HG21 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 565 . 1 1 86 86 VAL HG22 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 566 . 1 1 86 86 VAL HG23 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 567 . 1 1 86 86 VAL N N 15 129.3 0.1 . 1 . . . . . . . . 4956 1 568 . 1 1 86 86 VAL CA C 13 59.4 0.1 . 1 . . . . . . . . 4956 1 569 . 1 1 87 87 HIS H H 1 8.54 0.01 . 1 . . . . . . . . 4956 1 570 . 1 1 87 87 HIS HA H 1 4.35 0.01 . 1 . . . . . . . . 4956 1 571 . 1 1 87 87 HIS HB2 H 1 3.69 0.01 . 2 . . . . . . . . 4956 1 572 . 1 1 87 87 HIS HB3 H 1 3.54 0.01 . 2 . . . . . . . . 4956 1 573 . 1 1 87 87 HIS HD1 H 1 6.13 0.01 . 4 . . . . . . . . 4956 1 574 . 1 1 87 87 HIS HE1 H 1 8.35 0.01 . 4 . . . . . . . . 4956 1 575 . 1 1 87 87 HIS N N 15 122.6 0.1 . 1 . . . . . . . . 4956 1 576 . 1 1 87 87 HIS CA C 13 53.5 0.1 . 1 . . . . . . . . 4956 1 577 . 1 1 88 88 SER H H 1 8.08 0.01 . 1 . . . . . . . . 4956 1 578 . 1 1 88 88 SER HA H 1 4.53 0.01 . 1 . . . . . . . . 4956 1 579 . 1 1 88 88 SER HB2 H 1 2.29 0.01 . 2 . . . . . . . . 4956 1 580 . 1 1 88 88 SER HB3 H 1 1.30 0.01 . 2 . . . . . . . . 4956 1 581 . 1 1 88 88 SER N N 15 124.0 0.1 . 1 . . . . . . . . 4956 1 582 . 1 1 91 91 THR H H 1 7.98 0.01 . 1 . . . . . . . . 4956 1 583 . 1 1 91 91 THR HA H 1 4.97 0.01 . 1 . . . . . . . . 4956 1 584 . 1 1 91 91 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 4956 1 585 . 1 1 91 91 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 586 . 1 1 91 91 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 587 . 1 1 91 91 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 588 . 1 1 91 91 THR N N 15 111.6 0.1 . 1 . . . . . . . . 4956 1 589 . 1 1 91 91 THR CA C 13 60.0 0.1 . 1 . . . . . . . . 4956 1 590 . 1 1 92 92 TRP H H 1 8.98 0.01 . 1 . . . . . . . . 4956 1 591 . 1 1 92 92 TRP HA H 1 5.62 0.01 . 1 . . . . . . . . 4956 1 592 . 1 1 92 92 TRP HB2 H 1 2.47 0.01 . 2 . . . . . . . . 4956 1 593 . 1 1 92 92 TRP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4956 1 594 . 1 1 92 92 TRP HD1 H 1 6.83 0.01 . 1 . . . . . . . . 4956 1 595 . 1 1 92 92 TRP N N 15 125.7 0.1 . 1 . . . . . . . . 4956 1 596 . 1 1 92 92 TRP CA C 13 53.1 0.1 . 1 . . . . . . . . 4956 1 597 . 1 1 93 93 PHE H H 1 9.22 0.01 . 1 . . . . . . . . 4956 1 598 . 1 1 93 93 PHE HA H 1 6.09 0.01 . 1 . . . . . . . . 4956 1 599 . 1 1 93 93 PHE HD1 H 1 6.80 0.01 . 1 . . . . . . . . 4956 1 600 . 1 1 93 93 PHE HD2 H 1 6.80 0.01 . 1 . . . . . . . . 4956 1 601 . 1 1 93 93 PHE N N 15 117.1 0.1 . 1 . . . . . . . . 4956 1 602 . 1 1 93 93 PHE CA C 13 54.2 0.1 . 1 . . . . . . . . 4956 1 603 . 1 1 94 94 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 4956 1 604 . 1 1 94 94 VAL HA H 1 4.74 0.01 . 1 . . . . . . . . 4956 1 605 . 1 1 94 94 VAL HB H 1 2.15 0.01 . 1 . . . . . . . . 4956 1 606 . 1 1 94 94 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 4956 1 607 . 1 1 94 94 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 4956 1 608 . 1 1 94 94 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 4956 1 609 . 1 1 94 94 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 610 . 1 1 94 94 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 611 . 1 1 94 94 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4956 1 612 . 1 1 94 94 VAL N N 15 114.8 0.1 . 1 . . . . . . . . 4956 1 613 . 1 1 94 94 VAL CA C 13 58.1 0.1 . 1 . . . . . . . . 4956 1 614 . 1 1 95 95 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 4956 1 615 . 1 1 95 95 GLU HA H 1 4.97 0.01 . 1 . . . . . . . . 4956 1 616 . 1 1 95 95 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4956 1 617 . 1 1 95 95 GLU HB3 H 1 2.22 0.01 . 2 . . . . . . . . 4956 1 618 . 1 1 95 95 GLU N N 15 126.1 0.1 . 1 . . . . . . . . 4956 1 619 . 1 1 95 95 GLU CA C 13 53.0 0.1 . 1 . . . . . . . . 4956 1 620 . 1 1 96 96 ALA H H 1 9.03 0.01 . 1 . . . . . . . . 4956 1 621 . 1 1 96 96 ALA HA H 1 4.85 0.01 . 1 . . . . . . . . 4956 1 622 . 1 1 96 96 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 623 . 1 1 96 96 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 624 . 1 1 96 96 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 4956 1 625 . 1 1 96 96 ALA N N 15 128.3 0.1 . 1 . . . . . . . . 4956 1 626 . 1 1 96 96 ALA CA C 13 49.0 0.1 . 1 . . . . . . . . 4956 1 627 . 1 1 97 97 LYS H H 1 8.72 0.01 . 1 . . . . . . . . 4956 1 628 . 1 1 97 97 LYS HA H 1 4.86 0.01 . 1 . . . . . . . . 4956 1 629 . 1 1 97 97 LYS HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4956 1 630 . 1 1 97 97 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 4956 1 631 . 1 1 97 97 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4956 1 632 . 1 1 97 97 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4956 1 633 . 1 1 97 97 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 4956 1 634 . 1 1 97 97 LYS CA C 13 53.0 0.1 . 1 . . . . . . . . 4956 1 635 . 1 1 98 98 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4956 1 636 . 1 1 98 98 LEU HA H 1 4.82 0.01 . 1 . . . . . . . . 4956 1 637 . 1 1 98 98 LEU HB2 H 1 1.85 0.01 . 1 . . . . . . . . 4956 1 638 . 1 1 98 98 LEU HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4956 1 639 . 1 1 98 98 LEU HG H 1 1.22 0.01 . 1 . . . . . . . . 4956 1 640 . 1 1 98 98 LEU HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4956 1 641 . 1 1 98 98 LEU HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4956 1 642 . 1 1 98 98 LEU HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4956 1 643 . 1 1 98 98 LEU HD21 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 644 . 1 1 98 98 LEU HD22 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 645 . 1 1 98 98 LEU HD23 H 1 0.67 0.01 . 1 . . . . . . . . 4956 1 646 . 1 1 98 98 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 4956 1 647 . 1 1 98 98 LEU CA C 13 51.0 0.1 . 1 . . . . . . . . 4956 1 648 . 1 1 99 99 LYS H H 1 8.66 0.01 . 1 . . . . . . . . 4956 1 649 . 1 1 99 99 LYS HA H 1 4.22 0.01 . 1 . . . . . . . . 4956 1 650 . 1 1 99 99 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4956 1 651 . 1 1 99 99 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 4956 1 652 . 1 1 99 99 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 4956 1 653 . 1 1 99 99 LYS N N 15 125.7 0.1 . 1 . . . . . . . . 4956 1 654 . 1 1 99 99 LYS CA C 13 55.1 0.1 . 1 . . . . . . . . 4956 1 655 . 1 1 100 100 GLN H H 1 8.08 0.01 . 1 . . . . . . . . 4956 1 656 . 1 1 100 100 GLN HA H 1 4.77 0.01 . 1 . . . . . . . . 4956 1 657 . 1 1 100 100 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4956 1 658 . 1 1 100 100 GLN HB3 H 1 2.39 0.01 . 2 . . . . . . . . 4956 1 659 . 1 1 100 100 GLN N N 15 122.9 0.1 . 1 . . . . . . . . 4956 1 660 . 1 1 100 100 GLN CA C 13 51.5 0.1 . 1 . . . . . . . . 4956 1 661 . 1 1 101 101 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4956 1 662 . 1 1 101 101 GLY HA2 H 1 4.50 0.01 . 2 . . . . . . . . 4956 1 663 . 1 1 101 101 GLY HA3 H 1 4.30 0.01 . 2 . . . . . . . . 4956 1 664 . 1 1 101 101 GLY N N 15 113.4 0.1 . 1 . . . . . . . . 4956 1 665 . 1 1 101 101 GLY CA C 13 41.4 0.1 . 1 . . . . . . . . 4956 1 666 . 1 1 102 102 ILE H H 1 8.13 0.01 . 1 . . . . . . . . 4956 1 667 . 1 1 102 102 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4956 1 668 . 1 1 102 102 ILE HB H 1 1.52 0.01 . 1 . . . . . . . . 4956 1 669 . 1 1 102 102 ILE N N 15 122.0 0.1 . 1 . . . . . . . . 4956 1 670 . 1 1 102 102 ILE CA C 13 58.9 0.1 . 1 . . . . . . . . 4956 1 671 . 1 1 103 103 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 4956 1 672 . 1 1 103 103 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4956 1 673 . 1 1 103 103 GLU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4956 1 674 . 1 1 103 103 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4956 1 675 . 1 1 103 103 GLU HG2 H 1 2.47 0.01 . 1 . . . . . . . . 4956 1 676 . 1 1 103 103 GLU HG3 H 1 2.47 0.01 . 1 . . . . . . . . 4956 1 677 . 1 1 103 103 GLU N N 15 129.3 0.1 . 1 . . . . . . . . 4956 1 678 . 1 1 103 103 GLU CA C 13 54.9 0.1 . 1 . . . . . . . . 4956 1 679 . 1 1 104 104 SER H H 1 7.18 0.01 . 1 . . . . . . . . 4956 1 680 . 1 1 104 104 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 4956 1 681 . 1 1 104 104 SER HB2 H 1 3.39 0.01 . 1 . . . . . . . . 4956 1 682 . 1 1 104 104 SER HB3 H 1 3.39 0.01 . 1 . . . . . . . . 4956 1 683 . 1 1 104 104 SER N N 15 110.2 0.1 . 1 . . . . . . . . 4956 1 684 . 1 1 105 105 ALA H H 1 8.96 0.01 . 1 . . . . . . . . 4956 1 685 . 1 1 105 105 ALA HA H 1 4.69 0.01 . 1 . . . . . . . . 4956 1 686 . 1 1 105 105 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4956 1 687 . 1 1 105 105 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4956 1 688 . 1 1 105 105 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4956 1 689 . 1 1 105 105 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 4956 1 690 . 1 1 106 106 THR H H 1 7.51 0.01 . 1 . . . . . . . . 4956 1 691 . 1 1 106 106 THR HA H 1 4.43 0.01 . 1 . . . . . . . . 4956 1 692 . 1 1 106 106 THR HB H 1 3.97 0.01 . 1 . . . . . . . . 4956 1 693 . 1 1 106 106 THR HG21 H 1 1.44 0.01 . 1 . . . . . . . . 4956 1 694 . 1 1 106 106 THR HG22 H 1 1.44 0.01 . 1 . . . . . . . . 4956 1 695 . 1 1 106 106 THR HG23 H 1 1.44 0.01 . 1 . . . . . . . . 4956 1 696 . 1 1 106 106 THR N N 15 117.5 0.1 . 1 . . . . . . . . 4956 1 697 . 1 1 106 106 THR CA C 13 63.6 0.1 . 1 . . . . . . . . 4956 1 698 . 1 1 107 107 GLN H H 1 8.69 0.01 . 1 . . . . . . . . 4956 1 699 . 1 1 107 107 GLN HA H 1 3.71 0.01 . 1 . . . . . . . . 4956 1 700 . 1 1 107 107 GLN HB2 H 1 2.61 0.01 . 2 . . . . . . . . 4956 1 701 . 1 1 107 107 GLN HB3 H 1 2.41 0.01 . 2 . . . . . . . . 4956 1 702 . 1 1 107 107 GLN N N 15 122.6 0.1 . 1 . . . . . . . . 4956 1 703 . 1 1 107 107 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4956 1 704 . 1 1 108 108 LYS H H 1 7.95 0.01 . 1 . . . . . . . . 4956 1 705 . 1 1 108 108 LYS HA H 1 3.89 0.01 . 1 . . . . . . . . 4956 1 706 . 1 1 108 108 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 4956 1 707 . 1 1 108 108 LYS HB3 H 1 1.90 0.01 . 1 . . . . . . . . 4956 1 708 . 1 1 108 108 LYS N N 15 116.7 0.1 . 1 . . . . . . . . 4956 1 709 . 1 1 108 108 LYS CA C 13 58.1 0.1 . 1 . . . . . . . . 4956 1 710 . 1 1 109 109 LYS H H 1 7.58 0.01 . 1 . . . . . . . . 4956 1 711 . 1 1 109 109 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 4956 1 712 . 1 1 109 109 LYS HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4956 1 713 . 1 1 109 109 LYS HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4956 1 714 . 1 1 109 109 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 4956 1 715 . 1 1 109 109 LYS CA C 13 58.3 0.1 . 1 . . . . . . . . 4956 1 716 . 1 1 110 110 ILE H H 1 8.18 0.01 . 1 . . . . . . . . 4956 1 717 . 1 1 110 110 ILE HA H 1 3.65 0.01 . 1 . . . . . . . . 4956 1 718 . 1 1 110 110 ILE HB H 1 1.78 0.01 . 1 . . . . . . . . 4956 1 719 . 1 1 110 110 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 4956 1 720 . 1 1 110 110 ILE CA C 13 63.2 0.1 . 1 . . . . . . . . 4956 1 721 . 1 1 111 111 VAL H H 1 8.11 0.01 . 1 . . . . . . . . 4956 1 722 . 1 1 111 111 VAL HA H 1 3.38 0.01 . 1 . . . . . . . . 4956 1 723 . 1 1 111 111 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . 4956 1 724 . 1 1 111 111 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 725 . 1 1 111 111 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 726 . 1 1 111 111 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 727 . 1 1 111 111 VAL HG21 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 728 . 1 1 111 111 VAL HG22 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 729 . 1 1 111 111 VAL HG23 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 730 . 1 1 111 111 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 4956 1 731 . 1 1 111 111 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . 4956 1 732 . 1 1 112 112 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 4956 1 733 . 1 1 112 112 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 4956 1 734 . 1 1 112 112 LYS HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4956 1 735 . 1 1 112 112 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 4956 1 736 . 1 1 112 112 LYS CA C 13 58.0 0.1 . 1 . . . . . . . . 4956 1 737 . 1 1 113 113 MET H H 1 8.14 0.01 . 1 . . . . . . . . 4956 1 738 . 1 1 113 113 MET HA H 1 4.12 0.01 . 1 . . . . . . . . 4956 1 739 . 1 1 113 113 MET N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 740 . 1 1 113 113 MET CA C 13 57.5 0.1 . 1 . . . . . . . . 4956 1 741 . 1 1 114 114 ILE H H 1 8.13 0.01 . 1 . . . . . . . . 4956 1 742 . 1 1 114 114 ILE HA H 1 4.11 0.01 . 1 . . . . . . . . 4956 1 743 . 1 1 114 114 ILE N N 15 119.8 0.1 . 1 . . . . . . . . 4956 1 744 . 1 1 114 114 ILE CA C 13 63.6 0.1 . 1 . . . . . . . . 4956 1 745 . 1 1 115 115 LYS H H 1 8.81 0.01 . 1 . . . . . . . . 4956 1 746 . 1 1 115 115 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4956 1 747 . 1 1 115 115 LYS HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4956 1 748 . 1 1 115 115 LYS HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4956 1 749 . 1 1 115 115 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 4956 1 750 . 1 1 115 115 LYS CA C 13 58.2 0.1 . 1 . . . . . . . . 4956 1 751 . 1 1 116 116 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 4956 1 752 . 1 1 116 116 ASP HA H 1 4.48 0.01 . 1 . . . . . . . . 4956 1 753 . 1 1 116 116 ASP HB2 H 1 2.74 0.01 . 2 . . . . . . . . 4956 1 754 . 1 1 116 116 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4956 1 755 . 1 1 116 116 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 4956 1 756 . 1 1 116 116 ASP CA C 13 53.8 0.1 . 1 . . . . . . . . 4956 1 757 . 1 1 117 117 SER H H 1 7.65 0.01 . 1 . . . . . . . . 4956 1 758 . 1 1 117 117 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 4956 1 759 . 1 1 117 117 SER HB2 H 1 4.04 0.01 . 1 . . . . . . . . 4956 1 760 . 1 1 117 117 SER HB3 H 1 4.04 0.01 . 1 . . . . . . . . 4956 1 761 . 1 1 117 117 SER N N 15 115.7 0.1 . 1 . . . . . . . . 4956 1 762 . 1 1 117 117 SER CA C 13 59.5 0.1 . 1 . . . . . . . . 4956 1 763 . 1 1 118 118 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 4956 1 764 . 1 1 118 118 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 4956 1 765 . 1 1 118 118 LYS HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4956 1 766 . 1 1 118 118 LYS HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4956 1 767 . 1 1 118 118 LYS N N 15 114.2 0.1 . 1 . . . . . . . . 4956 1 768 . 1 1 118 118 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 4956 1 769 . 1 1 119 119 LEU H H 1 7.85 0.01 . 1 . . . . . . . . 4956 1 770 . 1 1 119 119 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4956 1 771 . 1 1 119 119 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4956 1 772 . 1 1 119 119 LEU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4956 1 773 . 1 1 119 119 LEU HG H 1 1.17 0.01 . 1 . . . . . . . . 4956 1 774 . 1 1 119 119 LEU HD11 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 775 . 1 1 119 119 LEU HD12 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 776 . 1 1 119 119 LEU HD13 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 777 . 1 1 119 119 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 778 . 1 1 119 119 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 779 . 1 1 119 119 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 4956 1 780 . 1 1 119 119 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4956 1 781 . 1 1 119 119 LEU CA C 13 52.4 0.1 . 1 . . . . . . . . 4956 1 782 . 1 1 120 120 LYS H H 1 9.07 0.01 . 1 . . . . . . . . 4956 1 783 . 1 1 120 120 LYS HA H 1 4.50 0.01 . 1 . . . . . . . . 4956 1 784 . 1 1 120 120 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4956 1 785 . 1 1 120 120 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4956 1 786 . 1 1 120 120 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 4956 1 787 . 1 1 120 120 LYS CA C 13 52.6 0.1 . 1 . . . . . . . . 4956 1 788 . 1 1 121 121 VAL H H 1 7.97 0.01 . 1 . . . . . . . . 4956 1 789 . 1 1 121 121 VAL HA H 1 5.02 0.01 . 1 . . . . . . . . 4956 1 790 . 1 1 121 121 VAL HB H 1 1.87 0.01 . 1 . . . . . . . . 4956 1 791 . 1 1 121 121 VAL HG11 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 792 . 1 1 121 121 VAL HG12 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 793 . 1 1 121 121 VAL HG13 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 794 . 1 1 121 121 VAL HG21 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 795 . 1 1 121 121 VAL HG22 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 796 . 1 1 121 121 VAL HG23 H 1 0.50 0.01 . 2 . . . . . . . . 4956 1 797 . 1 1 121 121 VAL N N 15 117.4 0.1 . 1 . . . . . . . . 4956 1 798 . 1 1 121 121 VAL CA C 13 56.4 0.1 . 1 . . . . . . . . 4956 1 799 . 1 1 122 122 GLN H H 1 8.99 0.01 . 1 . . . . . . . . 4956 1 800 . 1 1 122 122 GLN HA H 1 4.69 0.01 . 1 . . . . . . . . 4956 1 801 . 1 1 122 122 GLN HB2 H 1 1.93 0.01 . 2 . . . . . . . . 4956 1 802 . 1 1 122 122 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 4956 1 803 . 1 1 122 122 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 4956 1 804 . 1 1 122 122 GLN CA C 13 51.7 0.1 . 1 . . . . . . . . 4956 1 805 . 1 1 123 123 ALA H H 1 8.76 0.01 . 1 . . . . . . . . 4956 1 806 . 1 1 123 123 ALA HA H 1 5.30 0.01 . 1 . . . . . . . . 4956 1 807 . 1 1 123 123 ALA HB1 H 1 1.17 0.01 . 1 . . . . . . . . 4956 1 808 . 1 1 123 123 ALA HB2 H 1 1.17 0.01 . 1 . . . . . . . . 4956 1 809 . 1 1 123 123 ALA HB3 H 1 1.17 0.01 . 1 . . . . . . . . 4956 1 810 . 1 1 123 123 ALA N N 15 126.6 0.1 . 1 . . . . . . . . 4956 1 811 . 1 1 123 123 ALA CA C 13 48.2 0.1 . 1 . . . . . . . . 4956 1 812 . 1 1 124 124 GLN H H 1 9.03 0.01 . 1 . . . . . . . . 4956 1 813 . 1 1 124 124 GLN HA H 1 4.68 0.01 . 1 . . . . . . . . 4956 1 814 . 1 1 124 124 GLN HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4956 1 815 . 1 1 124 124 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4956 1 816 . 1 1 124 124 GLN HG2 H 1 2.23 0.01 . 1 . . . . . . . . 4956 1 817 . 1 1 124 124 GLN HG3 H 1 2.23 0.01 . 1 . . . . . . . . 4956 1 818 . 1 1 124 124 GLN N N 15 122.0 0.1 . 1 . . . . . . . . 4956 1 819 . 1 1 124 124 GLN CA C 13 51.0 0.1 . 1 . . . . . . . . 4956 1 820 . 1 1 125 125 ILE H H 1 8.80 0.01 . 1 . . . . . . . . 4956 1 821 . 1 1 125 125 ILE HA H 1 3.93 0.01 . 1 . . . . . . . . 4956 1 822 . 1 1 125 125 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . 4956 1 823 . 1 1 125 125 ILE N N 15 127.8 0.1 . 1 . . . . . . . . 4956 1 824 . 1 1 125 125 ILE CA C 13 59.9 0.1 . 1 . . . . . . . . 4956 1 825 . 1 1 126 126 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 4956 1 826 . 1 1 126 126 GLN HA H 1 4.67 0.01 . 1 . . . . . . . . 4956 1 827 . 1 1 126 126 GLN HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4956 1 828 . 1 1 126 126 GLN HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4956 1 829 . 1 1 126 126 GLN HG2 H 1 2.15 0.01 . 2 . . . . . . . . 4956 1 830 . 1 1 126 126 GLN HG3 H 1 2.26 0.01 . 2 . . . . . . . . 4956 1 831 . 1 1 126 126 GLN N N 15 130.4 0.1 . 1 . . . . . . . . 4956 1 832 . 1 1 126 126 GLN CA C 13 54.6 0.1 . 1 . . . . . . . . 4956 1 833 . 1 1 127 127 GLY H H 1 7.30 0.01 . 1 . . . . . . . . 4956 1 834 . 1 1 127 127 GLY HA2 H 1 4.64 0.01 . 2 . . . . . . . . 4956 1 835 . 1 1 127 127 GLY HA3 H 1 3.30 0.01 . 2 . . . . . . . . 4956 1 836 . 1 1 127 127 GLY N N 15 115.4 0.1 . 1 . . . . . . . . 4956 1 837 . 1 1 127 127 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4956 1 838 . 1 1 128 128 ASP H H 1 8.63 0.01 . 1 . . . . . . . . 4956 1 839 . 1 1 128 128 ASP HA H 1 4.80 0.01 . 1 . . . . . . . . 4956 1 840 . 1 1 128 128 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 4956 1 841 . 1 1 128 128 ASP HB3 H 1 2.90 0.01 . 2 . . . . . . . . 4956 1 842 . 1 1 128 128 ASP N N 15 128.6 0.1 . 1 . . . . . . . . 4956 1 843 . 1 1 128 128 ASP CA C 13 51.1 0.1 . 1 . . . . . . . . 4956 1 844 . 1 1 129 129 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 4956 1 845 . 1 1 129 129 GLU HA H 1 4.99 0.01 . 1 . . . . . . . . 4956 1 846 . 1 1 129 129 GLU HB2 H 1 2.23 0.01 . 1 . . . . . . . . 4956 1 847 . 1 1 129 129 GLU HB3 H 1 2.23 0.01 . 1 . . . . . . . . 4956 1 848 . 1 1 129 129 GLU HG2 H 1 2.45 0.01 . 1 . . . . . . . . 4956 1 849 . 1 1 129 129 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 4956 1 850 . 1 1 129 129 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 4956 1 851 . 1 1 129 129 GLU CA C 13 51.4 0.1 . 1 . . . . . . . . 4956 1 852 . 1 1 130 130 ILE H H 1 8.41 0.01 . 1 . . . . . . . . 4956 1 853 . 1 1 130 130 ILE HA H 1 4.67 0.01 . 1 . . . . . . . . 4956 1 854 . 1 1 130 130 ILE HB H 1 1.60 0.01 . 1 . . . . . . . . 4956 1 855 . 1 1 130 130 ILE N N 15 119.3 0.1 . 1 . . . . . . . . 4956 1 856 . 1 1 130 130 ILE CA C 13 57.6 0.1 . 1 . . . . . . . . 4956 1 857 . 1 1 131 131 ARG H H 1 8.93 0.01 . 1 . . . . . . . . 4956 1 858 . 1 1 131 131 ARG HA H 1 5.13 0.01 . 1 . . . . . . . . 4956 1 859 . 1 1 131 131 ARG HB2 H 1 1.73 0.01 . 1 . . . . . . . . 4956 1 860 . 1 1 131 131 ARG HB3 H 1 1.73 0.01 . 1 . . . . . . . . 4956 1 861 . 1 1 131 131 ARG N N 15 129.3 0.1 . 1 . . . . . . . . 4956 1 862 . 1 1 131 131 ARG CA C 13 52.5 0.1 . 1 . . . . . . . . 4956 1 863 . 1 1 132 132 VAL H H 1 9.21 0.01 . 1 . . . . . . . . 4956 1 864 . 1 1 132 132 VAL HA H 1 4.83 0.01 . 1 . . . . . . . . 4956 1 865 . 1 1 132 132 VAL HB H 1 1.08 0.01 . 1 . . . . . . . . 4956 1 866 . 1 1 132 132 VAL HG11 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 867 . 1 1 132 132 VAL HG12 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 868 . 1 1 132 132 VAL HG13 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 869 . 1 1 132 132 VAL HG21 H 1 0.53 0.01 . 2 . . . . . . . . 4956 1 870 . 1 1 132 132 VAL HG22 H 1 0.53 0.01 . 2 . . . . . . . . 4956 1 871 . 1 1 132 132 VAL HG23 H 1 0.53 0.01 . 2 . . . . . . . . 4956 1 872 . 1 1 132 132 VAL N N 15 131.3 0.1 . 1 . . . . . . . . 4956 1 873 . 1 1 132 132 VAL CA C 13 52.2 0.1 . 1 . . . . . . . . 4956 1 874 . 1 1 133 133 THR H H 1 8.65 0.01 . 1 . . . . . . . . 4956 1 875 . 1 1 133 133 THR HA H 1 5.08 0.01 . 1 . . . . . . . . 4956 1 876 . 1 1 133 133 THR HB H 1 3.90 0.01 . 1 . . . . . . . . 4956 1 877 . 1 1 133 133 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 4956 1 878 . 1 1 133 133 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 4956 1 879 . 1 1 133 133 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 4956 1 880 . 1 1 133 133 THR N N 15 120.0 0.1 . 1 . . . . . . . . 4956 1 881 . 1 1 134 134 GLY H H 1 8.60 0.01 . 1 . . . . . . . . 4956 1 882 . 1 1 134 134 GLY HA2 H 1 4.65 0.01 . 2 . . . . . . . . 4956 1 883 . 1 1 134 134 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4956 1 884 . 1 1 134 134 GLY N N 15 110.8 0.1 . 1 . . . . . . . . 4956 1 885 . 1 1 134 134 GLY CA C 13 42.8 0.1 . 1 . . . . . . . . 4956 1 886 . 1 1 136 136 SER H H 1 8.10 0.01 . 1 . . . . . . . . 4956 1 887 . 1 1 136 136 SER HA H 1 4.91 0.01 . 1 . . . . . . . . 4956 1 888 . 1 1 136 136 SER HB2 H 1 4.00 0.01 . 2 . . . . . . . . 4956 1 889 . 1 1 136 136 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . 4956 1 890 . 1 1 136 136 SER N N 15 111.6 0.1 . 1 . . . . . . . . 4956 1 891 . 1 1 136 136 SER CA C 13 53.0 0.1 . 1 . . . . . . . . 4956 1 892 . 1 1 137 137 ARG H H 1 8.82 0.01 . 1 . . . . . . . . 4956 1 893 . 1 1 137 137 ARG HA H 1 4.72 0.01 . 1 . . . . . . . . 4956 1 894 . 1 1 137 137 ARG HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4956 1 895 . 1 1 137 137 ARG HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4956 1 896 . 1 1 137 137 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 4956 1 897 . 1 1 137 137 ARG CA C 13 52.0 0.1 . 1 . . . . . . . . 4956 1 898 . 1 1 138 138 ASP H H 1 8.17 0.01 . 1 . . . . . . . . 4956 1 899 . 1 1 138 138 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4956 1 900 . 1 1 138 138 ASP HB2 H 1 2.55 0.01 . 2 . . . . . . . . 4956 1 901 . 1 1 138 138 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4956 1 902 . 1 1 138 138 ASP N N 15 127.7 0.1 . 1 . . . . . . . . 4956 1 903 . 1 1 138 138 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 4956 1 904 . 1 1 139 139 ASP H H 1 7.54 0.01 . 1 . . . . . . . . 4956 1 905 . 1 1 139 139 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 4956 1 906 . 1 1 139 139 ASP HB2 H 1 2.37 0.01 . 2 . . . . . . . . 4956 1 907 . 1 1 139 139 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4956 1 908 . 1 1 139 139 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4956 1 909 . 1 1 139 139 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 4956 1 910 . 1 1 140 140 LEU H H 1 7.35 0.01 . 1 . . . . . . . . 4956 1 911 . 1 1 140 140 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 4956 1 912 . 1 1 140 140 LEU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4956 1 913 . 1 1 140 140 LEU HB3 H 1 2.01 0.01 . 1 . . . . . . . . 4956 1 914 . 1 1 140 140 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 4956 1 915 . 1 1 140 140 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 4956 1 916 . 1 1 140 140 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 4956 1 917 . 1 1 140 140 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 4956 1 918 . 1 1 140 140 LEU HD21 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 919 . 1 1 140 140 LEU HD22 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 920 . 1 1 140 140 LEU HD23 H 1 0.70 0.01 . 2 . . . . . . . . 4956 1 921 . 1 1 140 140 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4956 1 922 . 1 1 140 140 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 4956 1 923 . 1 1 141 141 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 4956 1 924 . 1 1 141 141 GLN HA H 1 3.95 0.01 . 1 . . . . . . . . 4956 1 925 . 1 1 141 141 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4956 1 926 . 1 1 141 141 GLN N N 15 119.2 0.1 . 1 . . . . . . . . 4956 1 927 . 1 1 141 141 GLN CA C 13 57.0 0.1 . 1 . . . . . . . . 4956 1 928 . 1 1 142 142 ALA H H 1 7.82 0.01 . 1 . . . . . . . . 4956 1 929 . 1 1 142 142 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 4956 1 930 . 1 1 142 142 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4956 1 931 . 1 1 142 142 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4956 1 932 . 1 1 142 142 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4956 1 933 . 1 1 142 142 ALA N N 15 123.8 0.1 . 1 . . . . . . . . 4956 1 934 . 1 1 142 142 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 4956 1 935 . 1 1 143 143 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 4956 1 936 . 1 1 143 143 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 4956 1 937 . 1 1 143 143 VAL HB H 1 2.51 0.01 . 1 . . . . . . . . 4956 1 938 . 1 1 143 143 VAL HG11 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 939 . 1 1 143 143 VAL HG12 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 940 . 1 1 143 143 VAL HG13 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 941 . 1 1 143 143 VAL HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 942 . 1 1 143 143 VAL HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 943 . 1 1 143 143 VAL HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4956 1 944 . 1 1 143 143 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4956 1 945 . 1 1 143 143 VAL CA C 13 64.2 0.1 . 1 . . . . . . . . 4956 1 946 . 1 1 144 144 MET H H 1 7.84 0.01 . 1 . . . . . . . . 4956 1 947 . 1 1 144 144 MET HA H 1 3.35 0.01 . 1 . . . . . . . . 4956 1 948 . 1 1 144 144 MET N N 15 119.4 0.1 . 1 . . . . . . . . 4956 1 949 . 1 1 144 144 MET CA C 13 57.5 0.1 . 1 . . . . . . . . 4956 1 950 . 1 1 145 145 ALA H H 1 7.73 0.01 . 1 . . . . . . . . 4956 1 951 . 1 1 145 145 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4956 1 952 . 1 1 145 145 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4956 1 953 . 1 1 145 145 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4956 1 954 . 1 1 145 145 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4956 1 955 . 1 1 145 145 ALA N N 15 119.7 0.1 . 1 . . . . . . . . 4956 1 956 . 1 1 145 145 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 4956 1 957 . 1 1 146 146 MET H H 1 7.96 0.01 . 1 . . . . . . . . 4956 1 958 . 1 1 146 146 MET HA H 1 4.10 0.01 . 1 . . . . . . . . 4956 1 959 . 1 1 146 146 MET HB2 H 1 2.30 0.01 . 2 . . . . . . . . 4956 1 960 . 1 1 146 146 MET HB3 H 1 2.66 0.01 . 2 . . . . . . . . 4956 1 961 . 1 1 146 146 MET N N 15 119.7 0.1 . 1 . . . . . . . . 4956 1 962 . 1 1 146 146 MET CA C 13 56.8 0.1 . 1 . . . . . . . . 4956 1 963 . 1 1 147 147 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 4956 1 964 . 1 1 147 147 VAL HA H 1 3.65 0.01 . 1 . . . . . . . . 4956 1 965 . 1 1 147 147 VAL HB H 1 2.30 0.01 . 1 . . . . . . . . 4956 1 966 . 1 1 147 147 VAL HG11 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 967 . 1 1 147 147 VAL HG12 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 968 . 1 1 147 147 VAL HG13 H 1 0.97 0.01 . 2 . . . . . . . . 4956 1 969 . 1 1 147 147 VAL HG21 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 970 . 1 1 147 147 VAL HG22 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 971 . 1 1 147 147 VAL HG23 H 1 0.64 0.01 . 2 . . . . . . . . 4956 1 972 . 1 1 147 147 VAL N N 15 119.2 0.1 . 1 . . . . . . . . 4956 1 973 . 1 1 147 147 VAL CA C 13 63.9 0.1 . 1 . . . . . . . . 4956 1 974 . 1 1 148 148 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 4956 1 975 . 1 1 148 148 ARG HA H 1 4.39 0.01 . 1 . . . . . . . . 4956 1 976 . 1 1 148 148 ARG HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4956 1 977 . 1 1 148 148 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 4956 1 978 . 1 1 148 148 ARG CA C 13 57.5 0.1 . 1 . . . . . . . . 4956 1 979 . 1 1 149 149 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 4956 1 980 . 1 1 149 149 GLY HA2 H 1 4.40 0.01 . 2 . . . . . . . . 4956 1 981 . 1 1 149 149 GLY HA3 H 1 3.79 0.01 . 2 . . . . . . . . 4956 1 982 . 1 1 149 149 GLY N N 15 105.3 0.1 . 1 . . . . . . . . 4956 1 983 . 1 1 149 149 GLY CA C 13 42.7 0.1 . 1 . . . . . . . . 4956 1 984 . 1 1 150 150 GLY H H 1 7.54 0.01 . 1 . . . . . . . . 4956 1 985 . 1 1 150 150 GLY HA2 H 1 4.27 0.01 . 2 . . . . . . . . 4956 1 986 . 1 1 150 150 GLY HA3 H 1 3.50 0.01 . 2 . . . . . . . . 4956 1 987 . 1 1 150 150 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 4956 1 988 . 1 1 150 150 GLY CA C 13 42.8 0.1 . 1 . . . . . . . . 4956 1 989 . 1 1 151 151 ASP H H 1 8.57 0.01 . 1 . . . . . . . . 4956 1 990 . 1 1 151 151 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 4956 1 991 . 1 1 151 151 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4956 1 992 . 1 1 151 151 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4956 1 993 . 1 1 151 151 ASP N N 15 121.4 0.1 . 1 . . . . . . . . 4956 1 994 . 1 1 151 151 ASP CA C 13 51.2 0.1 . 1 . . . . . . . . 4956 1 995 . 1 1 152 152 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 4956 1 996 . 1 1 152 152 LEU HA H 1 4.41 0.01 . 1 . . . . . . . . 4956 1 997 . 1 1 152 152 LEU HB2 H 1 2.20 0.01 . 1 . . . . . . . . 4956 1 998 . 1 1 152 152 LEU HB3 H 1 2.20 0.01 . 1 . . . . . . . . 4956 1 999 . 1 1 152 152 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 4956 1 1000 . 1 1 152 152 LEU HD11 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1001 . 1 1 152 152 LEU HD12 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1002 . 1 1 152 152 LEU HD13 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1003 . 1 1 152 152 LEU HD21 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1004 . 1 1 152 152 LEU HD22 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1005 . 1 1 152 152 LEU HD23 H 1 0.97 0.01 . 1 . . . . . . . . 4956 1 1006 . 1 1 152 152 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 4956 1 1007 . 1 1 152 152 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 4956 1 1008 . 1 1 153 153 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 4956 1 1009 . 1 1 153 153 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 4956 1 1010 . 1 1 153 153 GLY HA3 H 1 3.71 0.01 . 2 . . . . . . . . 4956 1 1011 . 1 1 153 153 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 4956 1 1012 . 1 1 153 153 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 4956 1 1013 . 1 1 154 154 GLN H H 1 7.12 0.01 . 1 . . . . . . . . 4956 1 1014 . 1 1 154 154 GLN HA H 1 4.66 0.01 . 1 . . . . . . . . 4956 1 1015 . 1 1 154 154 GLN HB2 H 1 1.67 0.01 . 2 . . . . . . . . 4956 1 1016 . 1 1 154 154 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 4956 1 1017 . 1 1 154 154 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4956 1 1018 . 1 1 156 156 PHE H H 1 8.18 0.01 . 1 . . . . . . . . 4956 1 1019 . 1 1 156 156 PHE HA H 1 5.28 0.01 . 1 . . . . . . . . 4956 1 1020 . 1 1 156 156 PHE HB2 H 1 2.86 0.01 . 2 . . . . . . . . 4956 1 1021 . 1 1 156 156 PHE HB3 H 1 2.39 0.01 . 2 . . . . . . . . 4956 1 1022 . 1 1 156 156 PHE HD1 H 1 6.88 0.01 . 1 . . . . . . . . 4956 1 1023 . 1 1 156 156 PHE HD2 H 1 6.88 0.01 . 1 . . . . . . . . 4956 1 1024 . 1 1 156 156 PHE N N 15 118.2 0.1 . 1 . . . . . . . . 4956 1 1025 . 1 1 156 156 PHE CA C 13 54.0 0.1 . 1 . . . . . . . . 4956 1 1026 . 1 1 157 157 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 4956 1 1027 . 1 1 157 157 GLN HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4956 1 1028 . 1 1 157 157 GLN HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4956 1 1029 . 1 1 157 157 GLN HG2 H 1 2.43 0.01 . 1 . . . . . . . . 4956 1 1030 . 1 1 157 157 GLN HG3 H 1 2.43 0.01 . 1 . . . . . . . . 4956 1 1031 . 1 1 157 157 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 4956 1 1032 . 1 1 157 157 GLN CA C 13 51.8 0.1 . 1 . . . . . . . . 4956 1 1033 . 1 1 158 158 PHE H H 1 8.23 0.01 . 1 . . . . . . . . 4956 1 1034 . 1 1 158 158 PHE HA H 1 5.87 0.01 . 1 . . . . . . . . 4956 1 1035 . 1 1 158 158 PHE HB2 H 1 3.05 0.01 . 2 . . . . . . . . 4956 1 1036 . 1 1 158 158 PHE HB3 H 1 2.86 0.01 . 2 . . . . . . . . 4956 1 1037 . 1 1 158 158 PHE HD1 H 1 7.29 0.01 . 1 . . . . . . . . 4956 1 1038 . 1 1 158 158 PHE HD2 H 1 7.29 0.01 . 1 . . . . . . . . 4956 1 1039 . 1 1 158 158 PHE N N 15 120.6 0.1 . 1 . . . . . . . . 4956 1 1040 . 1 1 158 158 PHE CA C 13 51.5 0.1 . 1 . . . . . . . . 4956 1 1041 . 1 1 159 159 LYS H H 1 9.37 0.01 . 1 . . . . . . . . 4956 1 1042 . 1 1 159 159 LYS HA H 1 4.90 0.01 . 1 . . . . . . . . 4956 1 1043 . 1 1 159 159 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4956 1 1044 . 1 1 159 159 LYS HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4956 1 1045 . 1 1 159 159 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 4956 1 1046 . 1 1 159 159 LYS CA C 13 51.3 0.1 . 1 . . . . . . . . 4956 1 1047 . 1 1 160 160 ASN H H 1 8.86 0.01 . 1 . . . . . . . . 4956 1 1048 . 1 1 160 160 ASN HA H 1 4.36 0.01 . 1 . . . . . . . . 4956 1 1049 . 1 1 160 160 ASN HB2 H 1 2.96 0.01 . 2 . . . . . . . . 4956 1 1050 . 1 1 160 160 ASN HB3 H 1 2.81 0.01 . 2 . . . . . . . . 4956 1 1051 . 1 1 160 160 ASN N N 15 116.3 0.1 . 1 . . . . . . . . 4956 1 1052 . 1 1 161 161 PHE H H 1 8.28 0.01 . 1 . . . . . . . . 4956 1 1053 . 1 1 161 161 PHE HA H 1 5.09 0.01 . 1 . . . . . . . . 4956 1 1054 . 1 1 161 161 PHE HB2 H 1 3.15 0.01 . 2 . . . . . . . . 4956 1 1055 . 1 1 161 161 PHE HB3 H 1 2.96 0.01 . 2 . . . . . . . . 4956 1 1056 . 1 1 161 161 PHE HD1 H 1 7.32 0.01 . 1 . . . . . . . . 4956 1 1057 . 1 1 161 161 PHE HD2 H 1 7.32 0.01 . 1 . . . . . . . . 4956 1 1058 . 1 1 161 161 PHE N N 15 119.8 0.1 . 1 . . . . . . . . 4956 1 1059 . 1 1 161 161 PHE CA C 13 56.4 0.1 . 1 . . . . . . . . 4956 1 1060 . 1 1 162 162 ARG H H 1 8.89 0.01 . 1 . . . . . . . . 4956 1 1061 . 1 1 162 162 ARG HA H 1 4.70 0.01 . 1 . . . . . . . . 4956 1 1062 . 1 1 162 162 ARG HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4956 1 1063 . 1 1 162 162 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4956 1 1064 . 1 1 162 162 ARG N N 15 128.2 0.1 . 1 . . . . . . . . 4956 1 1065 . 1 1 162 162 ARG CA C 13 51.7 0.1 . 1 . . . . . . . . 4956 1 1066 . 1 1 163 163 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 4956 1 1067 . 1 1 163 163 ASP HA H 1 4.78 0.01 . 1 . . . . . . . . 4956 1 1068 . 1 1 163 163 ASP HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4956 1 1069 . 1 1 163 163 ASP HB3 H 1 2.80 0.01 . 2 . . . . . . . . 4956 1 1070 . 1 1 163 163 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 4956 1 stop_ save_