data_5789 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5789 _Entry.Title ; 1H,15N, and 13C chemical shift assignments of the Escherichia coli nitrogen regulatory phosphocarrier IIANtr ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-29 _Entry.Accession_date 2003-04-29 _Entry.Last_release_date 2004-06-25 _Entry.Original_release_date 2004-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xia Li . . . 5789 2 Alan Peterkofsky . . . 5789 3 Guangshun Wang . . . 5789 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5789 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 924 5789 '13C chemical shifts' 653 5789 '15N chemical shifts' 161 5789 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 . . 2004-06-25 2003-04-29 original author . 5789 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5789 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22874491 _Citation.DOI . _Citation.PubMed_ID 14512741 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H,15N, and 13C Chemical Shift Assignments of the Escherichia coli Nitrogen Regulatory Phosphocarrier IIA(Ntr) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 401 _Citation.Page_last 402 _Citation.Year 2003 _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 Xia Li . . . 5789 1 2 Alan Peterkofsky . . . 5789 1 3 Guangshun Wang . . . 5789 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IIANtr 5789 1 Escherichia 5789 1 PTS 5789 1 'nitrogen metobolism' 5789 1 'sigma factor' 5789 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IIANtr _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IIANtr _Assembly.Entry_ID 5789 _Assembly.ID 1 _Assembly.Name 'nitrogen regulatory enzyme IIA' _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 'all free' _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 5789 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 IIANtr 1 $IIANtr . . . native . . . . . 5789 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ABJ . . . . . ; NMR shifts irepresent the solution state while the PDB entry is in the crystal ; 5789 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nitrogen regulatory enzyme IIA' system 5789 1 IIANtr abbreviation 5789 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'gene regulation' 5789 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IIANtr _Entity.Sf_category entity _Entity.Sf_framecode IIANtr _Entity.Entry_ID 5789 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'nitrogen regulatory enzyme IIA' _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 ; MTNNDTTLQLSSVLNRECTR SRVHCQSKKRALEIISELAA KQLSLPPQVVFEAILTREKM GSTGIGNGIAIPHGKLEEDT LRAVGVFVQLETPIAFDAID NQPVDLLFALLVPADQTKTH LHTLSLVAKRLADKTICRRL RAAQSDEELYQIITDTEGTP DEA ; _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18000 _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 PDB 1A6J . "Nitrogen Regulatory Bacterial Protein Iia-Nitrogen" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 2 no DBJ BAA02317 . "rpoN [Escherichia coli K-12]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 3 no DBJ BAB37506 . "phosphotransferase system enzyme IIA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 163 99.39 100.00 3.69e-113 . . . . 5789 1 4 no DBJ BAE77248 . "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 5 no DBJ BAG79012 . "PTS system IIA component [Escherichia coli SE11]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 6 no DBJ BAI27482 . "phosphotransferase system enzyme IIA PtsN, regulates N metabolism [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 7 no EMBL CAA81619 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 8 no EMBL CAP77664 . "Nitrogen regulatory protein [Escherichia coli LF82]" . . . . . 100.00 163 99.39 100.00 4.03e-113 . . . . 5789 1 9 no EMBL CAQ33537 . "phosphotransferase system enzyme IIA, regulates N metabolism [Escherichia coli BL21(DE3)]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 10 no EMBL CAR00166 . "sugar-specific enzyme IIA component of PTS [Escherichia coli IAI1]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 11 no EMBL CAR04814 . "sugar-specific enzyme IIA component of PTS [Escherichia coli S88]" . . . . . 100.00 163 99.39 99.39 9.35e-113 . . . . 5789 1 12 no GB AAA58006 . "enzyme IIANtr [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 13 no GB AAB60165 . "Enzyme IIANtr [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 14 no GB AAC76236 . "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 15 no GB AAG58338 . "phosphotransferase system enzyme IIA, regulates N metabolism [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 163 99.39 100.00 3.69e-113 . . . . 5789 1 16 no GB AAN44710 . "phosphotransferase system enzyme IIA [Shigella flexneri 2a str. 301]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 17 no REF NP_289778 . "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 163 99.39 100.00 3.69e-113 . . . . 5789 1 18 no REF NP_312110 . "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 163 99.39 100.00 3.69e-113 . . . . 5789 1 19 no REF NP_417671 . "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 20 no REF NP_709003 . "PTS system sugar transporter subunit IIA [Shigella flexneri 2a str. 301]" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 21 no REF NP_755830 . "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli CFT073]" . . . . . 100.00 171 99.39 99.39 1.63e-112 . . . . 5789 1 22 no SP P69815 . "RecName: Full=Nitrogen regulatory protein; AltName: Full=Enzyme IIA-NTR; Includes: RecName: Full=Phosphotransferase enzyme IIA " . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 23 no SP P69829 . "RecName: Full=Nitrogen regulatory protein; AltName: Full=Enzyme IIA-NTR; AltName: Full=PTS system EIIA component; AltName: Full" . . . . . 100.00 163 100.00 100.00 9.11e-114 . . . . 5789 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'nitrogen regulatory enzyme IIA' common 5789 1 IIANtr abbreviation 5789 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 . 5789 1 2 . THR . 5789 1 3 . ASN . 5789 1 4 . ASN . 5789 1 5 . ASP . 5789 1 6 . THR . 5789 1 7 . THR . 5789 1 8 . LEU . 5789 1 9 . GLN . 5789 1 10 . LEU . 5789 1 11 . SER . 5789 1 12 . SER . 5789 1 13 . VAL . 5789 1 14 . LEU . 5789 1 15 . ASN . 5789 1 16 . ARG . 5789 1 17 . GLU . 5789 1 18 . CYS . 5789 1 19 . THR . 5789 1 20 . ARG . 5789 1 21 . SER . 5789 1 22 . ARG . 5789 1 23 . VAL . 5789 1 24 . HIS . 5789 1 25 . CYS . 5789 1 26 . GLN . 5789 1 27 . SER . 5789 1 28 . LYS . 5789 1 29 . LYS . 5789 1 30 . ARG . 5789 1 31 . ALA . 5789 1 32 . LEU . 5789 1 33 . GLU . 5789 1 34 . ILE . 5789 1 35 . ILE . 5789 1 36 . SER . 5789 1 37 . GLU . 5789 1 38 . LEU . 5789 1 39 . ALA . 5789 1 40 . ALA . 5789 1 41 . LYS . 5789 1 42 . GLN . 5789 1 43 . LEU . 5789 1 44 . SER . 5789 1 45 . LEU . 5789 1 46 . PRO . 5789 1 47 . PRO . 5789 1 48 . GLN . 5789 1 49 . VAL . 5789 1 50 . VAL . 5789 1 51 . PHE . 5789 1 52 . GLU . 5789 1 53 . ALA . 5789 1 54 . ILE . 5789 1 55 . LEU . 5789 1 56 . THR . 5789 1 57 . ARG . 5789 1 58 . GLU . 5789 1 59 . LYS . 5789 1 60 . MET . 5789 1 61 . GLY . 5789 1 62 . SER . 5789 1 63 . THR . 5789 1 64 . GLY . 5789 1 65 . ILE . 5789 1 66 . GLY . 5789 1 67 . ASN . 5789 1 68 . GLY . 5789 1 69 . ILE . 5789 1 70 . ALA . 5789 1 71 . ILE . 5789 1 72 . PRO . 5789 1 73 . HIS . 5789 1 74 . GLY . 5789 1 75 . LYS . 5789 1 76 . LEU . 5789 1 77 . GLU . 5789 1 78 . GLU . 5789 1 79 . ASP . 5789 1 80 . THR . 5789 1 81 . LEU . 5789 1 82 . ARG . 5789 1 83 . ALA . 5789 1 84 . VAL . 5789 1 85 . GLY . 5789 1 86 . VAL . 5789 1 87 . PHE . 5789 1 88 . VAL . 5789 1 89 . GLN . 5789 1 90 . LEU . 5789 1 91 . GLU . 5789 1 92 . THR . 5789 1 93 . PRO . 5789 1 94 . ILE . 5789 1 95 . ALA . 5789 1 96 . PHE . 5789 1 97 . ASP . 5789 1 98 . ALA . 5789 1 99 . ILE . 5789 1 100 . ASP . 5789 1 101 . ASN . 5789 1 102 . GLN . 5789 1 103 . PRO . 5789 1 104 . VAL . 5789 1 105 . ASP . 5789 1 106 . LEU . 5789 1 107 . LEU . 5789 1 108 . PHE . 5789 1 109 . ALA . 5789 1 110 . LEU . 5789 1 111 . LEU . 5789 1 112 . VAL . 5789 1 113 . PRO . 5789 1 114 . ALA . 5789 1 115 . ASP . 5789 1 116 . GLN . 5789 1 117 . THR . 5789 1 118 . LYS . 5789 1 119 . THR . 5789 1 120 . HIS . 5789 1 121 . LEU . 5789 1 122 . HIS . 5789 1 123 . THR . 5789 1 124 . LEU . 5789 1 125 . SER . 5789 1 126 . LEU . 5789 1 127 . VAL . 5789 1 128 . ALA . 5789 1 129 . LYS . 5789 1 130 . ARG . 5789 1 131 . LEU . 5789 1 132 . ALA . 5789 1 133 . ASP . 5789 1 134 . LYS . 5789 1 135 . THR . 5789 1 136 . ILE . 5789 1 137 . CYS . 5789 1 138 . ARG . 5789 1 139 . ARG . 5789 1 140 . LEU . 5789 1 141 . ARG . 5789 1 142 . ALA . 5789 1 143 . ALA . 5789 1 144 . GLN . 5789 1 145 . SER . 5789 1 146 . ASP . 5789 1 147 . GLU . 5789 1 148 . GLU . 5789 1 149 . LEU . 5789 1 150 . TYR . 5789 1 151 . GLN . 5789 1 152 . ILE . 5789 1 153 . ILE . 5789 1 154 . THR . 5789 1 155 . ASP . 5789 1 156 . THR . 5789 1 157 . GLU . 5789 1 158 . GLY . 5789 1 159 . THR . 5789 1 160 . PRO . 5789 1 161 . ASP . 5789 1 162 . GLU . 5789 1 163 . ALA . 5789 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 5789 1 . THR 2 2 5789 1 . ASN 3 3 5789 1 . ASN 4 4 5789 1 . ASP 5 5 5789 1 . THR 6 6 5789 1 . THR 7 7 5789 1 . LEU 8 8 5789 1 . GLN 9 9 5789 1 . LEU 10 10 5789 1 . SER 11 11 5789 1 . SER 12 12 5789 1 . VAL 13 13 5789 1 . LEU 14 14 5789 1 . ASN 15 15 5789 1 . ARG 16 16 5789 1 . GLU 17 17 5789 1 . CYS 18 18 5789 1 . THR 19 19 5789 1 . ARG 20 20 5789 1 . SER 21 21 5789 1 . ARG 22 22 5789 1 . VAL 23 23 5789 1 . HIS 24 24 5789 1 . CYS 25 25 5789 1 . GLN 26 26 5789 1 . SER 27 27 5789 1 . LYS 28 28 5789 1 . LYS 29 29 5789 1 . ARG 30 30 5789 1 . ALA 31 31 5789 1 . LEU 32 32 5789 1 . GLU 33 33 5789 1 . ILE 34 34 5789 1 . ILE 35 35 5789 1 . SER 36 36 5789 1 . GLU 37 37 5789 1 . LEU 38 38 5789 1 . ALA 39 39 5789 1 . ALA 40 40 5789 1 . LYS 41 41 5789 1 . GLN 42 42 5789 1 . LEU 43 43 5789 1 . SER 44 44 5789 1 . LEU 45 45 5789 1 . PRO 46 46 5789 1 . PRO 47 47 5789 1 . GLN 48 48 5789 1 . VAL 49 49 5789 1 . VAL 50 50 5789 1 . PHE 51 51 5789 1 . GLU 52 52 5789 1 . ALA 53 53 5789 1 . ILE 54 54 5789 1 . LEU 55 55 5789 1 . THR 56 56 5789 1 . ARG 57 57 5789 1 . GLU 58 58 5789 1 . LYS 59 59 5789 1 . MET 60 60 5789 1 . GLY 61 61 5789 1 . SER 62 62 5789 1 . THR 63 63 5789 1 . GLY 64 64 5789 1 . ILE 65 65 5789 1 . GLY 66 66 5789 1 . ASN 67 67 5789 1 . GLY 68 68 5789 1 . ILE 69 69 5789 1 . ALA 70 70 5789 1 . ILE 71 71 5789 1 . PRO 72 72 5789 1 . HIS 73 73 5789 1 . GLY 74 74 5789 1 . LYS 75 75 5789 1 . LEU 76 76 5789 1 . GLU 77 77 5789 1 . GLU 78 78 5789 1 . ASP 79 79 5789 1 . THR 80 80 5789 1 . LEU 81 81 5789 1 . ARG 82 82 5789 1 . ALA 83 83 5789 1 . VAL 84 84 5789 1 . GLY 85 85 5789 1 . VAL 86 86 5789 1 . PHE 87 87 5789 1 . VAL 88 88 5789 1 . GLN 89 89 5789 1 . LEU 90 90 5789 1 . GLU 91 91 5789 1 . THR 92 92 5789 1 . PRO 93 93 5789 1 . ILE 94 94 5789 1 . ALA 95 95 5789 1 . PHE 96 96 5789 1 . ASP 97 97 5789 1 . ALA 98 98 5789 1 . ILE 99 99 5789 1 . ASP 100 100 5789 1 . ASN 101 101 5789 1 . GLN 102 102 5789 1 . PRO 103 103 5789 1 . VAL 104 104 5789 1 . ASP 105 105 5789 1 . LEU 106 106 5789 1 . LEU 107 107 5789 1 . PHE 108 108 5789 1 . ALA 109 109 5789 1 . LEU 110 110 5789 1 . LEU 111 111 5789 1 . VAL 112 112 5789 1 . PRO 113 113 5789 1 . ALA 114 114 5789 1 . ASP 115 115 5789 1 . GLN 116 116 5789 1 . THR 117 117 5789 1 . LYS 118 118 5789 1 . THR 119 119 5789 1 . HIS 120 120 5789 1 . LEU 121 121 5789 1 . HIS 122 122 5789 1 . THR 123 123 5789 1 . LEU 124 124 5789 1 . SER 125 125 5789 1 . LEU 126 126 5789 1 . VAL 127 127 5789 1 . ALA 128 128 5789 1 . LYS 129 129 5789 1 . ARG 130 130 5789 1 . LEU 131 131 5789 1 . ALA 132 132 5789 1 . ASP 133 133 5789 1 . LYS 134 134 5789 1 . THR 135 135 5789 1 . ILE 136 136 5789 1 . CYS 137 137 5789 1 . ARG 138 138 5789 1 . ARG 139 139 5789 1 . LEU 140 140 5789 1 . ARG 141 141 5789 1 . ALA 142 142 5789 1 . ALA 143 143 5789 1 . GLN 144 144 5789 1 . SER 145 145 5789 1 . ASP 146 146 5789 1 . GLU 147 147 5789 1 . GLU 148 148 5789 1 . LEU 149 149 5789 1 . TYR 150 150 5789 1 . GLN 151 151 5789 1 . ILE 152 152 5789 1 . ILE 153 153 5789 1 . THR 154 154 5789 1 . ASP 155 155 5789 1 . THR 156 156 5789 1 . GLU 157 157 5789 1 . GLY 158 158 5789 1 . THR 159 159 5789 1 . PRO 160 160 5789 1 . ASP 161 161 5789 1 . GLU 162 162 5789 1 . ALA 163 163 5789 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 5789 _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 $IIANtr . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 5789 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 5789 _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 $IIANtr . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli K12 . . . . . . . . . . . . . . . pRE-His-Tag . . . . . . 5789 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5789 _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 'nitrogen regulatory enzyme IIA' '[U-95% 13C; U-95% 15N]' . . 1 $IIANtr . . 1.0 0.3 1.5 mM . . . . 5789 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5789 _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 7.3 0.1 pH 5789 1 temperature 308 1 K 5789 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe_PIPP _Software.Sf_category software _Software.Sf_framecode NMRPipe_PIPP _Software.Entry_ID 5789 _Software.ID 1 _Software.Name 'NMRPipe, PIPP' _Software.Version . _Software.Details ; Delaglio et al. (1995) J. Biomol NMR 6, 277-293. Garrett et al. (1991) J. Magn. Reson. 95, 214-220. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5789 1 'peak picking' 5789 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 5789 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5789 _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 INOVA . 600 . . . 5789 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 5789 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 4 CA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 6 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 7 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 9 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 11 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 12 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 13 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5789 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5789 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5789 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5789 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5789 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5789 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5789 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5789 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.50 0.01 . 1 . . . . . . . . 5789 1 2 . 1 1 1 1 MET HG2 H 1 2.47 0.01 . 2 . . . . . . . . 5789 1 3 . 1 1 1 1 MET C C 13 176.12 0.05 . 1 . . . . . . . . 5789 1 4 . 1 1 1 1 MET CA C 13 55.68 0.05 . 1 . . . . . . . . 5789 1 5 . 1 1 1 1 MET CB C 13 33.05 0.05 . 1 . . . . . . . . 5789 1 6 . 1 1 1 1 MET CG C 13 32.02 0.05 . 1 . . . . . . . . 5789 1 7 . 1 1 2 2 THR HA H 1 4.49 0.01 . 1 . . . . . . . . 5789 1 8 . 1 1 2 2 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5789 1 9 . 1 1 2 2 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 10 . 1 1 2 2 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 11 . 1 1 2 2 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 12 . 1 1 2 2 THR H H 1 8.15 0.01 . 1 . . . . . . . . 5789 1 13 . 1 1 2 2 THR CA C 13 61.61 0.05 . 1 . . . . . . . . 5789 1 14 . 1 1 2 2 THR CB C 13 69.90 0.05 . 1 . . . . . . . . 5789 1 15 . 1 1 2 2 THR N N 15 114.67 0.05 . 1 . . . . . . . . 5789 1 16 . 1 1 3 3 ASN HD21 H 1 7.55 0.01 . 1 . . . . . . . . 5789 1 17 . 1 1 3 3 ASN HD22 H 1 6.85 0.01 . 1 . . . . . . . . 5789 1 18 . 1 1 3 3 ASN H H 1 8.03 0.01 . 1 . . . . . . . . 5789 1 19 . 1 1 3 3 ASN C C 13 176.55 0.05 . 1 . . . . . . . . 5789 1 20 . 1 1 3 3 ASN CA C 13 54.86 0.05 . 1 . . . . . . . . 5789 1 21 . 1 1 3 3 ASN CB C 13 38.88 0.05 . 1 . . . . . . . . 5789 1 22 . 1 1 3 3 ASN CG C 13 178.19 0.05 . 1 . . . . . . . . 5789 1 23 . 1 1 3 3 ASN N N 15 126.08 0.05 . 1 . . . . . . . . 5789 1 24 . 1 1 3 3 ASN ND2 N 15 112.16 0.05 . 1 . . . . . . . . 5789 1 25 . 1 1 4 4 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5789 1 26 . 1 1 4 4 ASN HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5789 1 27 . 1 1 4 4 ASN HD21 H 1 7.53 0.01 . 1 . . . . . . . . 5789 1 28 . 1 1 4 4 ASN HD22 H 1 6.85 0.01 . 1 . . . . . . . . 5789 1 29 . 1 1 4 4 ASN H H 1 8.34 0.01 . 1 . . . . . . . . 5789 1 30 . 1 1 4 4 ASN CA C 13 53.45 0.05 . 1 . . . . . . . . 5789 1 31 . 1 1 4 4 ASN CB C 13 39.05 0.05 . 1 . . . . . . . . 5789 1 32 . 1 1 4 4 ASN CG C 13 177.01 0.05 . 1 . . . . . . . . 5789 1 33 . 1 1 4 4 ASN N N 15 119.62 0.05 . 1 . . . . . . . . 5789 1 34 . 1 1 4 4 ASN ND2 N 15 112.12 0.05 . 1 . . . . . . . . 5789 1 35 . 1 1 5 5 ASP HA H 1 4.18 0.01 . 1 . . . . . . . . 5789 1 36 . 1 1 5 5 ASP HB2 H 1 2.68 0.01 . 2 . . . . . . . . 5789 1 37 . 1 1 5 5 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5789 1 38 . 1 1 5 5 ASP C C 13 176.84 0.05 . 1 . . . . . . . . 5789 1 39 . 1 1 5 5 ASP CA C 13 54.93 0.05 . 1 . . . . . . . . 5789 1 40 . 1 1 5 5 ASP CB C 13 41.17 0.05 . 1 . . . . . . . . 5789 1 41 . 1 1 5 5 ASP N N 15 120.61 0.05 . 1 . . . . . . . . 5789 1 42 . 1 1 6 6 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 5789 1 43 . 1 1 6 6 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 5789 1 44 . 1 1 6 6 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 45 . 1 1 6 6 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 46 . 1 1 6 6 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5789 1 47 . 1 1 6 6 THR H H 1 8.10 0.01 . 1 . . . . . . . . 5789 1 48 . 1 1 6 6 THR C C 13 174.98 0.05 . 1 . . . . . . . . 5789 1 49 . 1 1 6 6 THR CA C 13 62.64 0.05 . 1 . . . . . . . . 5789 1 50 . 1 1 6 6 THR CB C 13 69.36 0.05 . 1 . . . . . . . . 5789 1 51 . 1 1 6 6 THR CG2 C 13 21.62 0.05 . 1 . . . . . . . . 5789 1 52 . 1 1 6 6 THR N N 15 113.94 0.05 . 1 . . . . . . . . 5789 1 53 . 1 1 7 7 THR HA H 1 4.37 0.01 . 1 . . . . . . . . 5789 1 54 . 1 1 7 7 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 5789 1 55 . 1 1 7 7 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 5789 1 56 . 1 1 7 7 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 5789 1 57 . 1 1 7 7 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 5789 1 58 . 1 1 7 7 THR H H 1 8.05 0.01 . 1 . . . . . . . . 5789 1 59 . 1 1 7 7 THR C C 13 174.57 0.05 . 1 . . . . . . . . 5789 1 60 . 1 1 7 7 THR CA C 13 62.83 0.05 . 1 . . . . . . . . 5789 1 61 . 1 1 7 7 THR CB C 13 69.58 0.05 . 1 . . . . . . . . 5789 1 62 . 1 1 7 7 THR CG2 C 13 21.66 0.05 . 1 . . . . . . . . 5789 1 63 . 1 1 7 7 THR N N 15 116.68 0.05 . 1 . . . . . . . . 5789 1 64 . 1 1 8 8 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5789 1 65 . 1 1 8 8 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 5789 1 66 . 1 1 8 8 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 67 . 1 1 8 8 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 68 . 1 1 8 8 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 69 . 1 1 8 8 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 5789 1 70 . 1 1 8 8 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 5789 1 71 . 1 1 8 8 LEU C C 13 176.62 0.05 . 1 . . . . . . . . 5789 1 72 . 1 1 8 8 LEU CA C 13 55.49 0.05 . 1 . . . . . . . . 5789 1 73 . 1 1 8 8 LEU CB C 13 42.66 0.05 . 1 . . . . . . . . 5789 1 74 . 1 1 8 8 LEU CD1 C 13 24.71 0.05 . 1 . . . . . . . . 5789 1 75 . 1 1 8 8 LEU CG C 13 27.41 0.05 . 1 . . . . . . . . 5789 1 76 . 1 1 8 8 LEU N N 15 124.74 0.05 . 1 . . . . . . . . 5789 1 77 . 1 1 9 9 GLN HA H 1 4.51 0.01 . 1 . . . . . . . . 5789 1 78 . 1 1 9 9 GLN HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5789 1 79 . 1 1 9 9 GLN HE21 H 1 7.75 0.01 . 1 . . . . . . . . 5789 1 80 . 1 1 9 9 GLN HE22 H 1 6.71 0.01 . 1 . . . . . . . . 5789 1 81 . 1 1 9 9 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 5789 1 82 . 1 1 9 9 GLN HG3 H 1 2.37 0.01 . 1 . . . . . . . . 5789 1 83 . 1 1 9 9 GLN H H 1 8.44 0.01 . 1 . . . . . . . . 5789 1 84 . 1 1 9 9 GLN C C 13 177.70 0.05 . 1 . . . . . . . . 5789 1 85 . 1 1 9 9 GLN CA C 13 54.99 0.05 . 1 . . . . . . . . 5789 1 86 . 1 1 9 9 GLN CB C 13 29.11 0.05 . 1 . . . . . . . . 5789 1 87 . 1 1 9 9 GLN CD C 13 180.06 0.05 . 1 . . . . . . . . 5789 1 88 . 1 1 9 9 GLN CG C 13 33.66 0.05 . 1 . . . . . . . . 5789 1 89 . 1 1 9 9 GLN N N 15 122.87 0.05 . 1 . . . . . . . . 5789 1 90 . 1 1 9 9 GLN NE2 N 15 111.80 0.05 . 1 . . . . . . . . 5789 1 91 . 1 1 10 10 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5789 1 92 . 1 1 10 10 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 5789 1 93 . 1 1 10 10 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 5789 1 94 . 1 1 10 10 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 95 . 1 1 10 10 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 96 . 1 1 10 10 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 97 . 1 1 10 10 LEU H H 1 8.93 0.01 . 1 . . . . . . . . 5789 1 98 . 1 1 10 10 LEU C C 13 178.43 0.05 . 1 . . . . . . . . 5789 1 99 . 1 1 10 10 LEU CA C 13 57.72 0.05 . 1 . . . . . . . . 5789 1 100 . 1 1 10 10 LEU CB C 13 41.96 0.05 . 1 . . . . . . . . 5789 1 101 . 1 1 10 10 LEU CD1 C 13 24.50 0.05 . 1 . . . . . . . . 5789 1 102 . 1 1 10 10 LEU CG C 13 27.24 0.05 . 1 . . . . . . . . 5789 1 103 . 1 1 10 10 LEU N N 15 124.73 0.05 . 1 . . . . . . . . 5789 1 104 . 1 1 11 11 SER HA H 1 4.50 0.01 . 1 . . . . . . . . 5789 1 105 . 1 1 11 11 SER HB2 H 1 4.20 0.01 . 2 . . . . . . . . 5789 1 106 . 1 1 11 11 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 5789 1 107 . 1 1 11 11 SER H H 1 8.68 0.01 . 1 . . . . . . . . 5789 1 108 . 1 1 11 11 SER C C 13 174.89 0.05 . 1 . . . . . . . . 5789 1 109 . 1 1 11 11 SER CA C 13 60.64 0.05 . 1 . . . . . . . . 5789 1 110 . 1 1 11 11 SER CB C 13 62.57 0.05 . 1 . . . . . . . . 5789 1 111 . 1 1 11 11 SER N N 15 113.64 0.05 . 1 . . . . . . . . 5789 1 112 . 1 1 12 12 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 5789 1 113 . 1 1 12 12 SER HB2 H 1 4.07 0.01 . 2 . . . . . . . . 5789 1 114 . 1 1 12 12 SER H H 1 7.82 0.01 . 1 . . . . . . . . 5789 1 115 . 1 1 12 12 SER C C 13 175.15 0.05 . 1 . . . . . . . . 5789 1 116 . 1 1 12 12 SER CA C 13 60.63 0.05 . 1 . . . . . . . . 5789 1 117 . 1 1 12 12 SER CB C 13 63.73 0.05 . 1 . . . . . . . . 5789 1 118 . 1 1 12 12 SER N N 15 115.57 0.05 . 1 . . . . . . . . 5789 1 119 . 1 1 13 13 VAL HA H 1 4.60 0.01 . 1 . . . . . . . . 5789 1 120 . 1 1 13 13 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . 5789 1 121 . 1 1 13 13 VAL HG11 H 1 1.17 0.01 . 2 . . . . . . . . 5789 1 122 . 1 1 13 13 VAL HG12 H 1 1.17 0.01 . 2 . . . . . . . . 5789 1 123 . 1 1 13 13 VAL HG13 H 1 1.17 0.01 . 2 . . . . . . . . 5789 1 124 . 1 1 13 13 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 5789 1 125 . 1 1 13 13 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 5789 1 126 . 1 1 13 13 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 5789 1 127 . 1 1 13 13 VAL H H 1 7.47 0.01 . 1 . . . . . . . . 5789 1 128 . 1 1 13 13 VAL C C 13 173.63 0.05 . 1 . . . . . . . . 5789 1 129 . 1 1 13 13 VAL CA C 13 61.57 0.05 . 1 . . . . . . . . 5789 1 130 . 1 1 13 13 VAL CB C 13 33.85 0.05 . 1 . . . . . . . . 5789 1 131 . 1 1 13 13 VAL CG1 C 13 21.62 0.05 . 1 . . . . . . . . 5789 1 132 . 1 1 13 13 VAL CG2 C 13 19.55 0.05 . 1 . . . . . . . . 5789 1 133 . 1 1 13 13 VAL N N 15 113.23 0.05 . 1 . . . . . . . . 5789 1 134 . 1 1 14 14 LEU HA H 1 5.07 0.01 . 1 . . . . . . . . 5789 1 135 . 1 1 14 14 LEU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5789 1 136 . 1 1 14 14 LEU HB3 H 1 1.51 0.01 . 2 . . . . . . . . 5789 1 137 . 1 1 14 14 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 138 . 1 1 14 14 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 139 . 1 1 14 14 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 140 . 1 1 14 14 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 5789 1 141 . 1 1 14 14 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 5789 1 142 . 1 1 14 14 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 5789 1 143 . 1 1 14 14 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 5789 1 144 . 1 1 14 14 LEU C C 13 173.71 0.05 . 1 . . . . . . . . 5789 1 145 . 1 1 14 14 LEU CA C 13 53.77 0.05 . 1 . . . . . . . . 5789 1 146 . 1 1 14 14 LEU CB C 13 45.79 0.05 . 1 . . . . . . . . 5789 1 147 . 1 1 14 14 LEU CD1 C 13 26.69 0.05 . 1 . . . . . . . . 5789 1 148 . 1 1 14 14 LEU CD2 C 13 23.22 0.05 . 1 . . . . . . . . 5789 1 149 . 1 1 14 14 LEU CG C 13 28.30 0.05 . 1 . . . . . . . . 5789 1 150 . 1 1 14 14 LEU N N 15 124.54 0.05 . 1 . . . . . . . . 5789 1 151 . 1 1 15 15 ASN HA H 1 5.06 0.01 . 1 . . . . . . . . 5789 1 152 . 1 1 15 15 ASN HB2 H 1 3.18 0.01 . 2 . . . . . . . . 5789 1 153 . 1 1 15 15 ASN HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5789 1 154 . 1 1 15 15 ASN HD21 H 1 7.39 0.01 . 1 . . . . . . . . 5789 1 155 . 1 1 15 15 ASN HD22 H 1 6.37 0.01 . 1 . . . . . . . . 5789 1 156 . 1 1 15 15 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 5789 1 157 . 1 1 15 15 ASN C C 13 176.76 0.05 . 1 . . . . . . . . 5789 1 158 . 1 1 15 15 ASN CA C 13 50.69 0.05 . 1 . . . . . . . . 5789 1 159 . 1 1 15 15 ASN CB C 13 40.54 0.05 . 1 . . . . . . . . 5789 1 160 . 1 1 15 15 ASN N N 15 124.20 0.05 . 1 . . . . . . . . 5789 1 161 . 1 1 15 15 ASN ND2 N 15 109.10 0.05 . 1 . . . . . . . . 5789 1 162 . 1 1 16 16 ARG HA H 1 3.39 0.01 . 1 . . . . . . . . 5789 1 163 . 1 1 16 16 ARG HB2 H 1 1.52 0.01 . 2 . . . . . . . . 5789 1 164 . 1 1 16 16 ARG HB3 H 1 1.26 0.01 . 2 . . . . . . . . 5789 1 165 . 1 1 16 16 ARG HD2 H 1 2.87 0.01 . 2 . . . . . . . . 5789 1 166 . 1 1 16 16 ARG HG2 H 1 0.75 0.01 . 2 . . . . . . . . 5789 1 167 . 1 1 16 16 ARG H H 1 8.43 0.01 . 1 . . . . . . . . 5789 1 168 . 1 1 16 16 ARG C C 13 179.47 0.05 . 1 . . . . . . . . 5789 1 169 . 1 1 16 16 ARG CA C 13 59.64 0.05 . 1 . . . . . . . . 5789 1 170 . 1 1 16 16 ARG CB C 13 29.76 0.05 . 1 . . . . . . . . 5789 1 171 . 1 1 16 16 ARG CD C 13 42.43 0.05 . 1 . . . . . . . . 5789 1 172 . 1 1 16 16 ARG CG C 13 28.17 0.05 . 1 . . . . . . . . 5789 1 173 . 1 1 16 16 ARG N N 15 122.33 0.05 . 1 . . . . . . . . 5789 1 174 . 1 1 17 17 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5789 1 175 . 1 1 17 17 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5789 1 176 . 1 1 17 17 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5789 1 177 . 1 1 17 17 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 5789 1 178 . 1 1 17 17 GLU C C 13 177.29 0.05 . 1 . . . . . . . . 5789 1 179 . 1 1 17 17 GLU CA C 13 59.16 0.05 . 1 . . . . . . . . 5789 1 180 . 1 1 17 17 GLU CB C 13 29.32 0.05 . 1 . . . . . . . . 5789 1 181 . 1 1 17 17 GLU CG C 13 37.14 0.05 . 1 . . . . . . . . 5789 1 182 . 1 1 17 17 GLU N N 15 118.69 0.05 . 1 . . . . . . . . 5789 1 183 . 1 1 18 18 CYS HA H 1 4.57 0.01 . 1 . . . . . . . . 5789 1 184 . 1 1 18 18 CYS HB2 H 1 3.69 0.01 . 2 . . . . . . . . 5789 1 185 . 1 1 18 18 CYS HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5789 1 186 . 1 1 18 18 CYS H H 1 7.39 0.01 . 1 . . . . . . . . 5789 1 187 . 1 1 18 18 CYS C C 13 171.39 0.05 . 1 . . . . . . . . 5789 1 188 . 1 1 18 18 CYS CA C 13 59.02 0.05 . 1 . . . . . . . . 5789 1 189 . 1 1 18 18 CYS CB C 13 29.83 0.05 . 1 . . . . . . . . 5789 1 190 . 1 1 18 18 CYS N N 15 113.95 0.05 . 1 . . . . . . . . 5789 1 191 . 1 1 19 19 THR HA H 1 5.63 0.01 . 1 . . . . . . . . 5789 1 192 . 1 1 19 19 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5789 1 193 . 1 1 19 19 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 5789 1 194 . 1 1 19 19 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 5789 1 195 . 1 1 19 19 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 5789 1 196 . 1 1 19 19 THR H H 1 7.47 0.01 . 1 . . . . . . . . 5789 1 197 . 1 1 19 19 THR C C 13 174.15 0.05 . 1 . . . . . . . . 5789 1 198 . 1 1 19 19 THR CA C 13 62.52 0.05 . 1 . . . . . . . . 5789 1 199 . 1 1 19 19 THR CB C 13 69.09 0.05 . 1 . . . . . . . . 5789 1 200 . 1 1 19 19 THR CG2 C 13 22.01 0.05 . 1 . . . . . . . . 5789 1 201 . 1 1 19 19 THR N N 15 117.65 0.05 . 1 . . . . . . . . 5789 1 202 . 1 1 20 20 ARG HA H 1 4.76 0.01 . 1 . . . . . . . . 5789 1 203 . 1 1 20 20 ARG HB2 H 1 1.70 0.01 . 2 . . . . . . . . 5789 1 204 . 1 1 20 20 ARG HB3 H 1 1.52 0.01 . 2 . . . . . . . . 5789 1 205 . 1 1 20 20 ARG HG2 H 1 1.25 0.01 . 2 . . . . . . . . 5789 1 206 . 1 1 20 20 ARG H H 1 8.56 0.01 . 1 . . . . . . . . 5789 1 207 . 1 1 20 20 ARG C C 13 172.91 0.05 . 1 . . . . . . . . 5789 1 208 . 1 1 20 20 ARG CA C 13 52.81 0.05 . 1 . . . . . . . . 5789 1 209 . 1 1 20 20 ARG CB C 13 34.50 0.05 . 1 . . . . . . . . 5789 1 210 . 1 1 20 20 ARG CD C 13 42.52 0.05 . 1 . . . . . . . . 5789 1 211 . 1 1 20 20 ARG CG C 13 26.52 0.05 . 1 . . . . . . . . 5789 1 212 . 1 1 20 20 ARG N N 15 122.84 0.05 . 1 . . . . . . . . 5789 1 213 . 1 1 21 21 SER HA H 1 4.75 0.01 . 1 . . . . . . . . 5789 1 214 . 1 1 21 21 SER HB2 H 1 3.33 0.01 . 2 . . . . . . . . 5789 1 215 . 1 1 21 21 SER HB3 H 1 3.58 0.01 . 2 . . . . . . . . 5789 1 216 . 1 1 21 21 SER H H 1 8.93 0.01 . 1 . . . . . . . . 5789 1 217 . 1 1 21 21 SER C C 13 172.87 0.05 . 1 . . . . . . . . 5789 1 218 . 1 1 21 21 SER CA C 13 56.75 0.05 . 1 . . . . . . . . 5789 1 219 . 1 1 21 21 SER CB C 13 67.66 0.05 . 1 . . . . . . . . 5789 1 220 . 1 1 21 21 SER N N 15 117.49 0.05 . 1 . . . . . . . . 5789 1 221 . 1 1 22 22 ARG HA H 1 3.31 0.01 . 1 . . . . . . . . 5789 1 222 . 1 1 22 22 ARG HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5789 1 223 . 1 1 22 22 ARG HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5789 1 224 . 1 1 22 22 ARG HG2 H 1 1.67 0.01 . 2 . . . . . . . . 5789 1 225 . 1 1 22 22 ARG H H 1 9.02 0.01 . 1 . . . . . . . . 5789 1 226 . 1 1 22 22 ARG C C 13 175.33 0.05 . 1 . . . . . . . . 5789 1 227 . 1 1 22 22 ARG CA C 13 56.53 0.05 . 1 . . . . . . . . 5789 1 228 . 1 1 22 22 ARG CB C 13 27.52 0.05 . 1 . . . . . . . . 5789 1 229 . 1 1 22 22 ARG CD C 13 43.45 0.05 . 1 . . . . . . . . 5789 1 230 . 1 1 22 22 ARG CG C 13 25.70 0.05 . 1 . . . . . . . . 5789 1 231 . 1 1 22 22 ARG N N 15 119.52 0.05 . 1 . . . . . . . . 5789 1 232 . 1 1 23 23 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 5789 1 233 . 1 1 23 23 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 5789 1 234 . 1 1 23 23 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 235 . 1 1 23 23 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 236 . 1 1 23 23 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 237 . 1 1 23 23 VAL H H 1 8.67 0.01 . 1 . . . . . . . . 5789 1 238 . 1 1 23 23 VAL CA C 13 63.91 0.05 . 1 . . . . . . . . 5789 1 239 . 1 1 23 23 VAL CB C 13 32.42 0.05 . 1 . . . . . . . . 5789 1 240 . 1 1 23 23 VAL N N 15 119.75 0.05 . 1 . . . . . . . . 5789 1 241 . 1 1 24 24 HIS HA H 1 3.10 0.01 . 1 . . . . . . . . 5789 1 242 . 1 1 24 24 HIS HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5789 1 243 . 1 1 24 24 HIS CA C 13 53.23 0.05 . 1 . . . . . . . . 5789 1 244 . 1 1 24 24 HIS CB C 13 28.96 0.05 . 1 . . . . . . . . 5789 1 245 . 1 1 25 25 CYS HB2 H 1 3.11 0.01 . 2 . . . . . . . . 5789 1 246 . 1 1 25 25 CYS H H 1 7.28 0.01 . 1 . . . . . . . . 5789 1 247 . 1 1 25 25 CYS C C 13 174.35 0.05 . 1 . . . . . . . . 5789 1 248 . 1 1 25 25 CYS CA C 13 56.09 0.05 . 1 . . . . . . . . 5789 1 249 . 1 1 25 25 CYS CB C 13 29.54 0.05 . 1 . . . . . . . . 5789 1 250 . 1 1 25 25 CYS N N 15 119.04 0.05 . 1 . . . . . . . . 5789 1 251 . 1 1 26 26 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 5789 1 252 . 1 1 26 26 GLN H H 1 8.35 0.01 . 1 . . . . . . . . 5789 1 253 . 1 1 26 26 GLN CA C 13 58.95 0.05 . 1 . . . . . . . . 5789 1 254 . 1 1 26 26 GLN CB C 13 29.57 0.05 . 1 . . . . . . . . 5789 1 255 . 1 1 26 26 GLN N N 15 124.37 0.05 . 1 . . . . . . . . 5789 1 256 . 1 1 27 27 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 5789 1 257 . 1 1 27 27 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 5789 1 258 . 1 1 27 27 SER C C 13 175.40 0.05 . 1 . . . . . . . . 5789 1 259 . 1 1 27 27 SER CA C 13 62.77 0.05 . 1 . . . . . . . . 5789 1 260 . 1 1 27 27 SER CB C 13 62.88 0.05 . 1 . . . . . . . . 5789 1 261 . 1 1 28 28 LYS HA H 1 3.81 0.01 . 1 . . . . . . . . 5789 1 262 . 1 1 28 28 LYS HB2 H 1 2.24 0.01 . 2 . . . . . . . . 5789 1 263 . 1 1 28 28 LYS HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5789 1 264 . 1 1 28 28 LYS HG2 H 1 1.80 0.01 . 1 . . . . . . . . 5789 1 265 . 1 1 28 28 LYS HG3 H 1 1.80 0.01 . 1 . . . . . . . . 5789 1 266 . 1 1 28 28 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5789 1 267 . 1 1 28 28 LYS C C 13 176.63 0.05 . 1 . . . . . . . . 5789 1 268 . 1 1 28 28 LYS CA C 13 60.12 0.05 . 1 . . . . . . . . 5789 1 269 . 1 1 28 28 LYS CB C 13 30.91 0.05 . 1 . . . . . . . . 5789 1 270 . 1 1 28 28 LYS CG C 13 25.09 0.05 . 1 . . . . . . . . 5789 1 271 . 1 1 28 28 LYS N N 15 122.60 0.05 . 1 . . . . . . . . 5789 1 272 . 1 1 29 29 LYS HA H 1 3.81 0.01 . 1 . . . . . . . . 5789 1 273 . 1 1 29 29 LYS HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5789 1 274 . 1 1 29 29 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . 5789 1 275 . 1 1 29 29 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . 5789 1 276 . 1 1 29 29 LYS HG2 H 1 1.65 0.01 . 2 . . . . . . . . 5789 1 277 . 1 1 29 29 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 5789 1 278 . 1 1 29 29 LYS C C 13 178.04 0.05 . 1 . . . . . . . . 5789 1 279 . 1 1 29 29 LYS CA C 13 60.71 0.05 . 1 . . . . . . . . 5789 1 280 . 1 1 29 29 LYS CB C 13 32.60 0.05 . 1 . . . . . . . . 5789 1 281 . 1 1 29 29 LYS CD C 13 29.70 0.05 . 1 . . . . . . . . 5789 1 282 . 1 1 29 29 LYS CE C 13 42.32 0.05 . 1 . . . . . . . . 5789 1 283 . 1 1 29 29 LYS CG C 13 25.37 0.05 . 1 . . . . . . . . 5789 1 284 . 1 1 29 29 LYS N N 15 118.57 0.05 . 1 . . . . . . . . 5789 1 285 . 1 1 30 30 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 5789 1 286 . 1 1 30 30 ARG HB2 H 1 2.08 0.01 . 2 . . . . . . . . 5789 1 287 . 1 1 30 30 ARG HG2 H 1 1.64 0.01 . 2 . . . . . . . . 5789 1 288 . 1 1 30 30 ARG H H 1 7.63 0.01 . 1 . . . . . . . . 5789 1 289 . 1 1 30 30 ARG C C 13 177.86 0.05 . 1 . . . . . . . . 5789 1 290 . 1 1 30 30 ARG CA C 13 56.96 0.05 . 1 . . . . . . . . 5789 1 291 . 1 1 30 30 ARG CB C 13 29.00 0.05 . 1 . . . . . . . . 5789 1 292 . 1 1 30 30 ARG CD C 13 42.56 0.05 . 1 . . . . . . . . 5789 1 293 . 1 1 30 30 ARG CG C 13 26.91 0.05 . 1 . . . . . . . . 5789 1 294 . 1 1 30 30 ARG N N 15 116.78 0.05 . 1 . . . . . . . . 5789 1 295 . 1 1 31 31 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 5789 1 296 . 1 1 31 31 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5789 1 297 . 1 1 31 31 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5789 1 298 . 1 1 31 31 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5789 1 299 . 1 1 31 31 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 5789 1 300 . 1 1 31 31 ALA C C 13 179.33 0.05 . 1 . . . . . . . . 5789 1 301 . 1 1 31 31 ALA CA C 13 56.00 0.05 . 1 . . . . . . . . 5789 1 302 . 1 1 31 31 ALA CB C 13 17.77 0.05 . 1 . . . . . . . . 5789 1 303 . 1 1 31 31 ALA N N 15 122.98 0.05 . 1 . . . . . . . . 5789 1 304 . 1 1 32 32 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5789 1 305 . 1 1 32 32 LEU HB2 H 1 1.33 0.01 . 2 . . . . . . . . 5789 1 306 . 1 1 32 32 LEU HB3 H 1 2.22 0.01 . 2 . . . . . . . . 5789 1 307 . 1 1 32 32 LEU HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5789 1 308 . 1 1 32 32 LEU HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5789 1 309 . 1 1 32 32 LEU HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5789 1 310 . 1 1 32 32 LEU HD21 H 1 0.64 0.01 . 1 . . . . . . . . 5789 1 311 . 1 1 32 32 LEU HD22 H 1 0.64 0.01 . 1 . . . . . . . . 5789 1 312 . 1 1 32 32 LEU HD23 H 1 0.64 0.01 . 1 . . . . . . . . 5789 1 313 . 1 1 32 32 LEU H H 1 8.16 0.01 . 1 . . . . . . . . 5789 1 314 . 1 1 32 32 LEU C C 13 180.38 0.05 . 1 . . . . . . . . 5789 1 315 . 1 1 32 32 LEU CA C 13 57.95 0.05 . 1 . . . . . . . . 5789 1 316 . 1 1 32 32 LEU CB C 13 40.69 0.05 . 1 . . . . . . . . 5789 1 317 . 1 1 32 32 LEU CD1 C 13 25.17 0.05 . 1 . . . . . . . . 5789 1 318 . 1 1 32 32 LEU CD2 C 13 21.23 0.05 . 1 . . . . . . . . 5789 1 319 . 1 1 32 32 LEU CG C 13 26.70 0.05 . 1 . . . . . . . . 5789 1 320 . 1 1 32 32 LEU N N 15 114.89 0.05 . 1 . . . . . . . . 5789 1 321 . 1 1 33 33 GLU HA H 1 3.85 0.01 . 1 . . . . . . . . 5789 1 322 . 1 1 33 33 GLU HB2 H 1 2.37 0.01 . 2 . . . . . . . . 5789 1 323 . 1 1 33 33 GLU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5789 1 324 . 1 1 33 33 GLU HG2 H 1 1.65 0.01 . 2 . . . . . . . . 5789 1 325 . 1 1 33 33 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 5789 1 326 . 1 1 33 33 GLU C C 13 179.11 0.05 . 1 . . . . . . . . 5789 1 327 . 1 1 33 33 GLU CA C 13 60.26 0.05 . 1 . . . . . . . . 5789 1 328 . 1 1 33 33 GLU CB C 13 30.36 0.05 . 1 . . . . . . . . 5789 1 329 . 1 1 33 33 GLU CG C 13 36.93 0.05 . 1 . . . . . . . . 5789 1 330 . 1 1 33 33 GLU N N 15 124.24 0.05 . 1 . . . . . . . . 5789 1 331 . 1 1 34 34 ILE HA H 1 3.67 0.01 . 1 . . . . . . . . 5789 1 332 . 1 1 34 34 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 5789 1 333 . 1 1 34 34 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 334 . 1 1 34 34 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 335 . 1 1 34 34 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 336 . 1 1 34 34 ILE HG21 H 1 1.08 0.01 . 1 . . . . . . . . 5789 1 337 . 1 1 34 34 ILE HG22 H 1 1.08 0.01 . 1 . . . . . . . . 5789 1 338 . 1 1 34 34 ILE HG23 H 1 1.08 0.01 . 1 . . . . . . . . 5789 1 339 . 1 1 34 34 ILE H H 1 8.73 0.01 . 1 . . . . . . . . 5789 1 340 . 1 1 34 34 ILE C C 13 178.73 0.05 . 1 . . . . . . . . 5789 1 341 . 1 1 34 34 ILE CA C 13 65.78 0.05 . 1 . . . . . . . . 5789 1 342 . 1 1 34 34 ILE CB C 13 38.56 0.05 . 1 . . . . . . . . 5789 1 343 . 1 1 34 34 ILE CD1 C 13 15.39 0.05 . 1 . . . . . . . . 5789 1 344 . 1 1 34 34 ILE CG1 C 13 29.23 0.05 . 1 . . . . . . . . 5789 1 345 . 1 1 34 34 ILE CG2 C 13 15.82 0.05 . 1 . . . . . . . . 5789 1 346 . 1 1 34 34 ILE N N 15 122.55 0.05 . 1 . . . . . . . . 5789 1 347 . 1 1 35 35 ILE HA H 1 3.52 0.01 . 1 . . . . . . . . 5789 1 348 . 1 1 35 35 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 5789 1 349 . 1 1 35 35 ILE HD11 H 1 0.61 0.01 . 1 . . . . . . . . 5789 1 350 . 1 1 35 35 ILE HD12 H 1 0.61 0.01 . 1 . . . . . . . . 5789 1 351 . 1 1 35 35 ILE HD13 H 1 0.61 0.01 . 1 . . . . . . . . 5789 1 352 . 1 1 35 35 ILE HG12 H 1 1.87 0.01 . 1 . . . . . . . . 5789 1 353 . 1 1 35 35 ILE HG13 H 1 1.87 0.01 . 1 . . . . . . . . 5789 1 354 . 1 1 35 35 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5789 1 355 . 1 1 35 35 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5789 1 356 . 1 1 35 35 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5789 1 357 . 1 1 35 35 ILE H H 1 7.98 0.01 . 1 . . . . . . . . 5789 1 358 . 1 1 35 35 ILE C C 13 177.31 0.05 . 1 . . . . . . . . 5789 1 359 . 1 1 35 35 ILE CA C 13 65.53 0.05 . 1 . . . . . . . . 5789 1 360 . 1 1 35 35 ILE CB C 13 38.25 0.05 . 1 . . . . . . . . 5789 1 361 . 1 1 35 35 ILE CD1 C 13 16.56 0.05 . 1 . . . . . . . . 5789 1 362 . 1 1 35 35 ILE CG1 C 13 29.73 0.05 . 1 . . . . . . . . 5789 1 363 . 1 1 35 35 ILE CG2 C 13 17.13 0.05 . 1 . . . . . . . . 5789 1 364 . 1 1 35 35 ILE N N 15 118.14 0.05 . 1 . . . . . . . . 5789 1 365 . 1 1 36 36 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 5789 1 366 . 1 1 36 36 SER HB2 H 1 4.26 0.01 . 2 . . . . . . . . 5789 1 367 . 1 1 36 36 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 5789 1 368 . 1 1 36 36 SER H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 369 . 1 1 36 36 SER CA C 13 62.88 0.05 . 1 . . . . . . . . 5789 1 370 . 1 1 36 36 SER CB C 13 69.73 0.05 . 1 . . . . . . . . 5789 1 371 . 1 1 36 36 SER N N 15 115.60 0.05 . 1 . . . . . . . . 5789 1 372 . 1 1 37 37 GLU HA H 1 3.86 0.01 . 1 . . . . . . . . 5789 1 373 . 1 1 37 37 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5789 1 374 . 1 1 37 37 GLU HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5789 1 375 . 1 1 37 37 GLU HG2 H 1 2.46 0.01 . 1 . . . . . . . . 5789 1 376 . 1 1 37 37 GLU HG3 H 1 2.46 0.01 . 1 . . . . . . . . 5789 1 377 . 1 1 37 37 GLU C C 13 179.54 0.05 . 1 . . . . . . . . 5789 1 378 . 1 1 37 37 GLU CA C 13 59.80 0.05 . 1 . . . . . . . . 5789 1 379 . 1 1 37 37 GLU CB C 13 29.76 0.05 . 1 . . . . . . . . 5789 1 380 . 1 1 37 37 GLU CG C 13 36.36 0.05 . 1 . . . . . . . . 5789 1 381 . 1 1 38 38 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 5789 1 382 . 1 1 38 38 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5789 1 383 . 1 1 38 38 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . 5789 1 384 . 1 1 38 38 LEU HD11 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 385 . 1 1 38 38 LEU HD12 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 386 . 1 1 38 38 LEU HD13 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 387 . 1 1 38 38 LEU HD21 H 1 0.67 0.01 . 2 . . . . . . . . 5789 1 388 . 1 1 38 38 LEU HD22 H 1 0.67 0.01 . 2 . . . . . . . . 5789 1 389 . 1 1 38 38 LEU HD23 H 1 0.67 0.01 . 2 . . . . . . . . 5789 1 390 . 1 1 38 38 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 5789 1 391 . 1 1 38 38 LEU C C 13 179.40 0.05 . 1 . . . . . . . . 5789 1 392 . 1 1 38 38 LEU CA C 13 57.93 0.05 . 1 . . . . . . . . 5789 1 393 . 1 1 38 38 LEU CB C 13 42.13 0.05 . 1 . . . . . . . . 5789 1 394 . 1 1 38 38 LEU CD1 C 13 23.01 0.05 . 1 . . . . . . . . 5789 1 395 . 1 1 38 38 LEU CD2 C 13 26.05 0.05 . 1 . . . . . . . . 5789 1 396 . 1 1 38 38 LEU CG C 13 27.29 0.05 . 1 . . . . . . . . 5789 1 397 . 1 1 38 38 LEU N N 15 119.46 0.05 . 1 . . . . . . . . 5789 1 398 . 1 1 39 39 ALA HA H 1 3.90 0.01 . 1 . . . . . . . . 5789 1 399 . 1 1 39 39 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 5789 1 400 . 1 1 39 39 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 5789 1 401 . 1 1 39 39 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 5789 1 402 . 1 1 39 39 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5789 1 403 . 1 1 39 39 ALA C C 13 179.48 0.05 . 1 . . . . . . . . 5789 1 404 . 1 1 39 39 ALA CA C 13 54.93 0.05 . 1 . . . . . . . . 5789 1 405 . 1 1 39 39 ALA CB C 13 18.63 0.05 . 1 . . . . . . . . 5789 1 406 . 1 1 39 39 ALA N N 15 119.46 0.05 . 1 . . . . . . . . 5789 1 407 . 1 1 40 40 ALA HA H 1 3.74 0.01 . 1 . . . . . . . . 5789 1 408 . 1 1 40 40 ALA HB1 H 1 1.62 0.01 . 1 . . . . . . . . 5789 1 409 . 1 1 40 40 ALA HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5789 1 410 . 1 1 40 40 ALA HB3 H 1 1.62 0.01 . 1 . . . . . . . . 5789 1 411 . 1 1 40 40 ALA H H 1 8.70 0.01 . 1 . . . . . . . . 5789 1 412 . 1 1 40 40 ALA C C 13 179.63 0.05 . 1 . . . . . . . . 5789 1 413 . 1 1 40 40 ALA CA C 13 56.18 0.05 . 1 . . . . . . . . 5789 1 414 . 1 1 40 40 ALA CB C 13 18.35 0.05 . 1 . . . . . . . . 5789 1 415 . 1 1 40 40 ALA N N 15 118.86 0.05 . 1 . . . . . . . . 5789 1 416 . 1 1 41 41 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5789 1 417 . 1 1 41 41 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5789 1 418 . 1 1 41 41 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5789 1 419 . 1 1 41 41 LYS HD2 H 1 1.54 0.01 . 1 . . . . . . . . 5789 1 420 . 1 1 41 41 LYS HD3 H 1 1.54 0.01 . 1 . . . . . . . . 5789 1 421 . 1 1 41 41 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5789 1 422 . 1 1 41 41 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 5789 1 423 . 1 1 41 41 LYS HG2 H 1 1.74 0.01 . 1 . . . . . . . . 5789 1 424 . 1 1 41 41 LYS HG3 H 1 1.74 0.01 . 1 . . . . . . . . 5789 1 425 . 1 1 41 41 LYS H H 1 7.31 0.01 . 1 . . . . . . . . 5789 1 426 . 1 1 41 41 LYS C C 13 179.38 0.05 . 1 . . . . . . . . 5789 1 427 . 1 1 41 41 LYS CA C 13 58.89 0.05 . 1 . . . . . . . . 5789 1 428 . 1 1 41 41 LYS CB C 13 32.26 0.05 . 1 . . . . . . . . 5789 1 429 . 1 1 41 41 LYS CD C 13 29.11 0.05 . 1 . . . . . . . . 5789 1 430 . 1 1 41 41 LYS CE C 13 42.20 0.05 . 1 . . . . . . . . 5789 1 431 . 1 1 41 41 LYS CG C 13 25.05 0.05 . 1 . . . . . . . . 5789 1 432 . 1 1 41 41 LYS N N 15 115.66 0.05 . 1 . . . . . . . . 5789 1 433 . 1 1 42 42 GLN HA H 1 4.10 0.01 . 1 . . . . . . . . 5789 1 434 . 1 1 42 42 GLN HB2 H 1 2.24 0.01 . 1 . . . . . . . . 5789 1 435 . 1 1 42 42 GLN HB3 H 1 2.24 0.01 . 1 . . . . . . . . 5789 1 436 . 1 1 42 42 GLN HE21 H 1 7.76 0.01 . 1 . . . . . . . . 5789 1 437 . 1 1 42 42 GLN HE22 H 1 7.34 0.01 . 1 . . . . . . . . 5789 1 438 . 1 1 42 42 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5789 1 439 . 1 1 42 42 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 5789 1 440 . 1 1 42 42 GLN H H 1 7.15 0.01 . 1 . . . . . . . . 5789 1 441 . 1 1 42 42 GLN C C 13 177.38 0.05 . 1 . . . . . . . . 5789 1 442 . 1 1 42 42 GLN CA C 13 56.84 0.05 . 1 . . . . . . . . 5789 1 443 . 1 1 42 42 GLN CB C 13 28.95 0.05 . 1 . . . . . . . . 5789 1 444 . 1 1 42 42 GLN CD C 13 178.78 0.05 . 1 . . . . . . . . 5789 1 445 . 1 1 42 42 GLN CG C 13 34.05 0.05 . 1 . . . . . . . . 5789 1 446 . 1 1 42 42 GLN N N 15 115.62 0.05 . 1 . . . . . . . . 5789 1 447 . 1 1 42 42 GLN NE2 N 15 115.65 0.05 . 1 . . . . . . . . 5789 1 448 . 1 1 43 43 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 5789 1 449 . 1 1 43 43 LEU HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5789 1 450 . 1 1 43 43 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5789 1 451 . 1 1 43 43 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 5789 1 452 . 1 1 43 43 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 5789 1 453 . 1 1 43 43 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 5789 1 454 . 1 1 43 43 LEU HD21 H 1 0.68 0.01 . 1 . . . . . . . . 5789 1 455 . 1 1 43 43 LEU HD22 H 1 0.68 0.01 . 1 . . . . . . . . 5789 1 456 . 1 1 43 43 LEU HD23 H 1 0.68 0.01 . 1 . . . . . . . . 5789 1 457 . 1 1 43 43 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5789 1 458 . 1 1 43 43 LEU C C 13 175.57 0.05 . 1 . . . . . . . . 5789 1 459 . 1 1 43 43 LEU CA C 13 54.76 0.05 . 1 . . . . . . . . 5789 1 460 . 1 1 43 43 LEU CB C 13 44.26 0.05 . 1 . . . . . . . . 5789 1 461 . 1 1 43 43 LEU CD2 C 13 23.07 0.05 . 1 . . . . . . . . 5789 1 462 . 1 1 43 43 LEU CG C 13 26.56 0.05 . 1 . . . . . . . . 5789 1 463 . 1 1 43 43 LEU N N 15 116.73 0.05 . 1 . . . . . . . . 5789 1 464 . 1 1 44 44 SER HA H 1 4.01 0.01 . 1 . . . . . . . . 5789 1 465 . 1 1 44 44 SER HB2 H 1 4.14 0.01 . 2 . . . . . . . . 5789 1 466 . 1 1 44 44 SER HB3 H 1 4.01 0.01 . 2 . . . . . . . . 5789 1 467 . 1 1 44 44 SER H H 1 7.85 0.01 . 1 . . . . . . . . 5789 1 468 . 1 1 44 44 SER C C 13 173.63 0.05 . 1 . . . . . . . . 5789 1 469 . 1 1 44 44 SER CA C 13 58.88 0.05 . 1 . . . . . . . . 5789 1 470 . 1 1 44 44 SER CB C 13 61.61 0.05 . 1 . . . . . . . . 5789 1 471 . 1 1 44 44 SER N N 15 113.22 0.05 . 1 . . . . . . . . 5789 1 472 . 1 1 45 45 LEU HA H 1 4.98 0.01 . 1 . . . . . . . . 5789 1 473 . 1 1 45 45 LEU HB2 H 1 1.32 0.01 . 2 . . . . . . . . 5789 1 474 . 1 1 45 45 LEU HB3 H 1 1.08 0.01 . 2 . . . . . . . . 5789 1 475 . 1 1 45 45 LEU HD11 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 476 . 1 1 45 45 LEU HD12 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 477 . 1 1 45 45 LEU HD13 H 1 0.99 0.01 . 2 . . . . . . . . 5789 1 478 . 1 1 45 45 LEU HD21 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 479 . 1 1 45 45 LEU HD22 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 480 . 1 1 45 45 LEU HD23 H 1 0.80 0.01 . 2 . . . . . . . . 5789 1 481 . 1 1 45 45 LEU HG H 1 1.63 0.01 . 1 . . . . . . . . 5789 1 482 . 1 1 45 45 LEU H H 1 7.59 0.01 . 1 . . . . . . . . 5789 1 483 . 1 1 45 45 LEU CA C 13 51.26 0.05 . 1 . . . . . . . . 5789 1 484 . 1 1 45 45 LEU CB C 13 45.54 0.05 . 1 . . . . . . . . 5789 1 485 . 1 1 45 45 LEU N N 15 118.30 0.05 . 1 . . . . . . . . 5789 1 486 . 1 1 47 47 PRO HA H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 487 . 1 1 47 47 PRO HB2 H 1 2.24 0.01 . 1 . . . . . . . . 5789 1 488 . 1 1 47 47 PRO HB3 H 1 2.24 0.01 . 1 . . . . . . . . 5789 1 489 . 1 1 47 47 PRO HD2 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 490 . 1 1 47 47 PRO HD3 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 491 . 1 1 47 47 PRO HG2 H 1 2.02 0.01 . 1 . . . . . . . . 5789 1 492 . 1 1 47 47 PRO HG3 H 1 2.02 0.01 . 1 . . . . . . . . 5789 1 493 . 1 1 47 47 PRO C C 13 177.90 0.05 . 1 . . . . . . . . 5789 1 494 . 1 1 47 47 PRO CA C 13 65.68 0.05 . 1 . . . . . . . . 5789 1 495 . 1 1 47 47 PRO CB C 13 31.72 0.05 . 1 . . . . . . . . 5789 1 496 . 1 1 47 47 PRO CD C 13 50.68 0.05 . 1 . . . . . . . . 5789 1 497 . 1 1 47 47 PRO CG C 13 27.79 0.05 . 1 . . . . . . . . 5789 1 498 . 1 1 48 48 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 5789 1 499 . 1 1 48 48 GLN HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5789 1 500 . 1 1 48 48 GLN HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5789 1 501 . 1 1 48 48 GLN HE21 H 1 7.72 0.01 . 1 . . . . . . . . 5789 1 502 . 1 1 48 48 GLN HE22 H 1 6.76 0.01 . 1 . . . . . . . . 5789 1 503 . 1 1 48 48 GLN HG2 H 1 2.48 0.01 . 2 . . . . . . . . 5789 1 504 . 1 1 48 48 GLN HG3 H 1 2.24 0.01 . 2 . . . . . . . . 5789 1 505 . 1 1 48 48 GLN H H 1 8.84 0.01 . 1 . . . . . . . . 5789 1 506 . 1 1 48 48 GLN C C 13 178.20 0.05 . 1 . . . . . . . . 5789 1 507 . 1 1 48 48 GLN CA C 13 59.43 0.05 . 1 . . . . . . . . 5789 1 508 . 1 1 48 48 GLN CB C 13 27.92 0.05 . 1 . . . . . . . . 5789 1 509 . 1 1 48 48 GLN CD C 13 180.46 0.05 . 1 . . . . . . . . 5789 1 510 . 1 1 48 48 GLN CG C 13 33.43 0.05 . 1 . . . . . . . . 5789 1 511 . 1 1 48 48 GLN N N 15 115.31 0.05 . 1 . . . . . . . . 5789 1 512 . 1 1 48 48 GLN NE2 N 15 111.53 0.05 . 1 . . . . . . . . 5789 1 513 . 1 1 49 49 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . 5789 1 514 . 1 1 49 49 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 5789 1 515 . 1 1 49 49 VAL HG11 H 1 1.15 0.01 . 2 . . . . . . . . 5789 1 516 . 1 1 49 49 VAL HG12 H 1 1.15 0.01 . 2 . . . . . . . . 5789 1 517 . 1 1 49 49 VAL HG13 H 1 1.15 0.01 . 2 . . . . . . . . 5789 1 518 . 1 1 49 49 VAL HG21 H 1 1.03 0.01 . 2 . . . . . . . . 5789 1 519 . 1 1 49 49 VAL HG22 H 1 1.03 0.01 . 2 . . . . . . . . 5789 1 520 . 1 1 49 49 VAL HG23 H 1 1.03 0.01 . 2 . . . . . . . . 5789 1 521 . 1 1 49 49 VAL H H 1 7.30 0.01 . 1 . . . . . . . . 5789 1 522 . 1 1 49 49 VAL C C 13 178.63 0.05 . 1 . . . . . . . . 5789 1 523 . 1 1 49 49 VAL CA C 13 65.61 0.05 . 1 . . . . . . . . 5789 1 524 . 1 1 49 49 VAL CB C 13 32.34 0.05 . 1 . . . . . . . . 5789 1 525 . 1 1 49 49 VAL CG1 C 13 22.59 0.05 . 1 . . . . . . . . 5789 1 526 . 1 1 49 49 VAL CG2 C 13 21.00 0.05 . 1 . . . . . . . . 5789 1 527 . 1 1 49 49 VAL N N 15 118.27 0.05 . 1 . . . . . . . . 5789 1 528 . 1 1 50 50 VAL HA H 1 3.44 0.01 . 1 . . . . . . . . 5789 1 529 . 1 1 50 50 VAL HB H 1 2.25 0.01 . 1 . . . . . . . . 5789 1 530 . 1 1 50 50 VAL HG11 H 1 1.04 0.01 . 2 . . . . . . . . 5789 1 531 . 1 1 50 50 VAL HG12 H 1 1.04 0.01 . 2 . . . . . . . . 5789 1 532 . 1 1 50 50 VAL HG13 H 1 1.04 0.01 . 2 . . . . . . . . 5789 1 533 . 1 1 50 50 VAL HG21 H 1 0.83 0.01 . 2 . . . . . . . . 5789 1 534 . 1 1 50 50 VAL HG22 H 1 0.83 0.01 . 2 . . . . . . . . 5789 1 535 . 1 1 50 50 VAL HG23 H 1 0.83 0.01 . 2 . . . . . . . . 5789 1 536 . 1 1 50 50 VAL H H 1 6.85 0.01 . 1 . . . . . . . . 5789 1 537 . 1 1 50 50 VAL C C 13 176.49 0.05 . 1 . . . . . . . . 5789 1 538 . 1 1 50 50 VAL CA C 13 66.55 0.05 . 1 . . . . . . . . 5789 1 539 . 1 1 50 50 VAL CB C 13 31.76 0.05 . 1 . . . . . . . . 5789 1 540 . 1 1 50 50 VAL CG1 C 13 23.04 0.05 . 2 . . . . . . . . 5789 1 541 . 1 1 50 50 VAL N N 15 120.51 0.05 . 1 . . . . . . . . 5789 1 542 . 1 1 51 51 PHE HA H 1 4.20 0.01 . 1 . . . . . . . . 5789 1 543 . 1 1 51 51 PHE HB2 H 1 3.21 0.01 . 2 . . . . . . . . 5789 1 544 . 1 1 51 51 PHE HB3 H 1 3.04 0.01 . 2 . . . . . . . . 5789 1 545 . 1 1 51 51 PHE H H 1 8.81 0.01 . 1 . . . . . . . . 5789 1 546 . 1 1 51 51 PHE C C 13 177.12 0.05 . 1 . . . . . . . . 5789 1 547 . 1 1 51 51 PHE CA C 13 61.55 0.05 . 1 . . . . . . . . 5789 1 548 . 1 1 51 51 PHE CB C 13 39.56 0.05 . 1 . . . . . . . . 5789 1 549 . 1 1 51 51 PHE CD1 C 13 129.42 0.05 . 1 . . . . . . . . 5789 1 550 . 1 1 51 51 PHE CE1 C 13 129.42 0.05 . 1 . . . . . . . . 5789 1 551 . 1 1 51 51 PHE CZ C 13 126.92 0.05 . 1 . . . . . . . . 5789 1 552 . 1 1 51 51 PHE N N 15 120.99 0.05 . 1 . . . . . . . . 5789 1 553 . 1 1 51 51 PHE HD1 H 1 7.01 0.01 . 1 . . . . . . . . 5789 1 554 . 1 1 51 51 PHE HE1 H 1 7.37 0.01 . 1 . . . . . . . . 5789 1 555 . 1 1 51 51 PHE HZ H 1 7.17 0.01 . 1 . . . . . . . . 5789 1 556 . 1 1 52 52 GLU HA H 1 3.85 0.01 . 1 . . . . . . . . 5789 1 557 . 1 1 52 52 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5789 1 558 . 1 1 52 52 GLU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5789 1 559 . 1 1 52 52 GLU HG2 H 1 2.46 0.01 . 2 . . . . . . . . 5789 1 560 . 1 1 52 52 GLU HG3 H 1 2.12 0.01 . 2 . . . . . . . . 5789 1 561 . 1 1 52 52 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5789 1 562 . 1 1 52 52 GLU C C 13 179.31 0.05 . 1 . . . . . . . . 5789 1 563 . 1 1 52 52 GLU CA C 13 59.35 0.05 . 1 . . . . . . . . 5789 1 564 . 1 1 52 52 GLU CB C 13 29.19 0.05 . 1 . . . . . . . . 5789 1 565 . 1 1 52 52 GLU CG C 13 36.49 0.05 . 1 . . . . . . . . 5789 1 566 . 1 1 52 52 GLU N N 15 116.92 0.05 . 1 . . . . . . . . 5789 1 567 . 1 1 53 53 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 5789 1 568 . 1 1 53 53 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 569 . 1 1 53 53 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 570 . 1 1 53 53 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 571 . 1 1 53 53 ALA H H 1 7.47 0.01 . 1 . . . . . . . . 5789 1 572 . 1 1 53 53 ALA C C 13 180.90 0.05 . 1 . . . . . . . . 5789 1 573 . 1 1 53 53 ALA CA C 13 55.65 0.05 . 1 . . . . . . . . 5789 1 574 . 1 1 53 53 ALA CB C 13 18.03 0.05 . 1 . . . . . . . . 5789 1 575 . 1 1 53 53 ALA N N 15 123.15 0.05 . 1 . . . . . . . . 5789 1 576 . 1 1 54 54 ILE HA H 1 4.10 0.01 . 1 . . . . . . . . 5789 1 577 . 1 1 54 54 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . 5789 1 578 . 1 1 54 54 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 5789 1 579 . 1 1 54 54 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 5789 1 580 . 1 1 54 54 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 5789 1 581 . 1 1 54 54 ILE HG12 H 1 1.61 0.01 . 2 . . . . . . . . 5789 1 582 . 1 1 54 54 ILE HG21 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 583 . 1 1 54 54 ILE HG22 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 584 . 1 1 54 54 ILE HG23 H 1 0.83 0.01 . 1 . . . . . . . . 5789 1 585 . 1 1 54 54 ILE H H 1 7.86 0.01 . 1 . . . . . . . . 5789 1 586 . 1 1 54 54 ILE C C 13 179.03 0.05 . 1 . . . . . . . . 5789 1 587 . 1 1 54 54 ILE CA C 13 63.80 0.05 . 1 . . . . . . . . 5789 1 588 . 1 1 54 54 ILE CB C 13 37.91 0.05 . 1 . . . . . . . . 5789 1 589 . 1 1 54 54 ILE CD1 C 13 13.19 0.05 . 1 . . . . . . . . 5789 1 590 . 1 1 54 54 ILE CG1 C 13 28.58 0.05 . 1 . . . . . . . . 5789 1 591 . 1 1 54 54 ILE CG2 C 13 18.52 0.05 . 1 . . . . . . . . 5789 1 592 . 1 1 54 54 ILE N N 15 119.44 0.05 . 1 . . . . . . . . 5789 1 593 . 1 1 55 55 LEU HA H 1 3.72 0.01 . 1 . . . . . . . . 5789 1 594 . 1 1 55 55 LEU HB2 H 1 1.45 0.01 . 2 . . . . . . . . 5789 1 595 . 1 1 55 55 LEU HB3 H 1 1.03 0.01 . 2 . . . . . . . . 5789 1 596 . 1 1 55 55 LEU HD11 H 1 0.69 0.01 . 2 . . . . . . . . 5789 1 597 . 1 1 55 55 LEU HD12 H 1 0.69 0.01 . 2 . . . . . . . . 5789 1 598 . 1 1 55 55 LEU HD13 H 1 0.69 0.01 . 2 . . . . . . . . 5789 1 599 . 1 1 55 55 LEU HD21 H 1 0.53 0.01 . 2 . . . . . . . . 5789 1 600 . 1 1 55 55 LEU HD22 H 1 0.53 0.01 . 2 . . . . . . . . 5789 1 601 . 1 1 55 55 LEU HD23 H 1 0.53 0.01 . 2 . . . . . . . . 5789 1 602 . 1 1 55 55 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 5789 1 603 . 1 1 55 55 LEU C C 13 178.70 0.05 . 1 . . . . . . . . 5789 1 604 . 1 1 55 55 LEU CA C 13 57.53 0.05 . 1 . . . . . . . . 5789 1 605 . 1 1 55 55 LEU CB C 13 41.30 0.05 . 1 . . . . . . . . 5789 1 606 . 1 1 55 55 LEU CD1 C 13 24.53 0.05 . 1 . . . . . . . . 5789 1 607 . 1 1 55 55 LEU CD2 C 13 23.24 0.05 . 1 . . . . . . . . 5789 1 608 . 1 1 55 55 LEU CG C 13 26.66 0.05 . 1 . . . . . . . . 5789 1 609 . 1 1 55 55 LEU N N 15 123.29 0.05 . 1 . . . . . . . . 5789 1 610 . 1 1 56 56 THR HA H 1 3.73 0.01 . 1 . . . . . . . . 5789 1 611 . 1 1 56 56 THR HB H 1 4.32 0.01 . 1 . . . . . . . . 5789 1 612 . 1 1 56 56 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 613 . 1 1 56 56 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 614 . 1 1 56 56 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 615 . 1 1 56 56 THR H H 1 8.25 0.01 . 1 . . . . . . . . 5789 1 616 . 1 1 56 56 THR C C 13 176.07 0.05 . 1 . . . . . . . . 5789 1 617 . 1 1 56 56 THR CA C 13 67.42 0.05 . 1 . . . . . . . . 5789 1 618 . 1 1 56 56 THR CB C 13 68.94 0.05 . 1 . . . . . . . . 5789 1 619 . 1 1 56 56 THR CG2 C 13 21.07 0.05 . 1 . . . . . . . . 5789 1 620 . 1 1 56 56 THR N N 15 116.12 0.05 . 1 . . . . . . . . 5789 1 621 . 1 1 57 57 ARG HA H 1 4.42 0.01 . 1 . . . . . . . . 5789 1 622 . 1 1 57 57 ARG HB2 H 1 1.75 0.01 . 1 . . . . . . . . 5789 1 623 . 1 1 57 57 ARG HB3 H 1 1.75 0.01 . 1 . . . . . . . . 5789 1 624 . 1 1 57 57 ARG HD2 H 1 2.51 0.01 . 2 . . . . . . . . 5789 1 625 . 1 1 57 57 ARG HG2 H 1 1.19 0.01 . 2 . . . . . . . . 5789 1 626 . 1 1 57 57 ARG HG3 H 1 0.86 0.01 . 2 . . . . . . . . 5789 1 627 . 1 1 57 57 ARG H H 1 6.90 0.01 . 1 . . . . . . . . 5789 1 628 . 1 1 57 57 ARG C C 13 180.06 0.05 . 1 . . . . . . . . 5789 1 629 . 1 1 57 57 ARG CA C 13 57.30 0.05 . 1 . . . . . . . . 5789 1 630 . 1 1 57 57 ARG CB C 13 29.15 0.05 . 1 . . . . . . . . 5789 1 631 . 1 1 57 57 ARG CG C 13 26.24 0.05 . 1 . . . . . . . . 5789 1 632 . 1 1 57 57 ARG N N 15 119.94 0.05 . 1 . . . . . . . . 5789 1 633 . 1 1 58 58 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5789 1 634 . 1 1 58 58 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5789 1 635 . 1 1 58 58 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 5789 1 636 . 1 1 58 58 GLU C C 13 176.18 0.05 . 1 . . . . . . . . 5789 1 637 . 1 1 58 58 GLU CA C 13 58.32 0.05 . 1 . . . . . . . . 5789 1 638 . 1 1 58 58 GLU CB C 13 29.65 0.05 . 1 . . . . . . . . 5789 1 639 . 1 1 58 58 GLU CG C 13 35.30 0.05 . 1 . . . . . . . . 5789 1 640 . 1 1 58 58 GLU N N 15 125.74 0.05 . 1 . . . . . . . . 5789 1 641 . 1 1 59 59 LYS HA H 1 4.63 0.01 . 1 . . . . . . . . 5789 1 642 . 1 1 59 59 LYS H H 1 8.25 0.01 . 1 . . . . . . . . 5789 1 643 . 1 1 59 59 LYS C C 13 178.34 0.05 . 1 . . . . . . . . 5789 1 644 . 1 1 59 59 LYS CA C 13 58.72 0.05 . 1 . . . . . . . . 5789 1 645 . 1 1 59 59 LYS CB C 13 32.67 0.05 . 1 . . . . . . . . 5789 1 646 . 1 1 59 59 LYS CD C 13 29.65 0.05 . 1 . . . . . . . . 5789 1 647 . 1 1 59 59 LYS CE C 13 41.94 0.05 . 1 . . . . . . . . 5789 1 648 . 1 1 59 59 LYS CG C 13 25.80 0.05 . 1 . . . . . . . . 5789 1 649 . 1 1 59 59 LYS N N 15 116.68 0.05 . 1 . . . . . . . . 5789 1 650 . 1 1 60 60 MET HA H 1 4.33 0.01 . 1 . . . . . . . . 5789 1 651 . 1 1 60 60 MET HB2 H 1 2.28 0.01 . 2 . . . . . . . . 5789 1 652 . 1 1 60 60 MET HG2 H 1 2.86 0.01 . 2 . . . . . . . . 5789 1 653 . 1 1 60 60 MET HG3 H 1 2.63 0.01 . 2 . . . . . . . . 5789 1 654 . 1 1 60 60 MET H H 1 7.57 0.01 . 1 . . . . . . . . 5789 1 655 . 1 1 60 60 MET C C 13 176.73 0.05 . 1 . . . . . . . . 5789 1 656 . 1 1 60 60 MET CA C 13 56.54 0.05 . 1 . . . . . . . . 5789 1 657 . 1 1 60 60 MET CB C 13 32.60 0.05 . 1 . . . . . . . . 5789 1 658 . 1 1 60 60 MET CG C 13 32.05 0.05 . 1 . . . . . . . . 5789 1 659 . 1 1 60 60 MET N N 15 116.90 0.05 . 1 . . . . . . . . 5789 1 660 . 1 1 61 61 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 5789 1 661 . 1 1 61 61 GLY HA3 H 1 3.65 0.01 . 2 . . . . . . . . 5789 1 662 . 1 1 61 61 GLY H H 1 7.24 0.01 . 1 . . . . . . . . 5789 1 663 . 1 1 61 61 GLY C C 13 171.44 0.05 . 1 . . . . . . . . 5789 1 664 . 1 1 61 61 GLY CA C 13 45.61 0.05 . 1 . . . . . . . . 5789 1 665 . 1 1 61 61 GLY N N 15 109.24 0.05 . 1 . . . . . . . . 5789 1 666 . 1 1 62 62 SER HA H 1 4.74 0.01 . 1 . . . . . . . . 5789 1 667 . 1 1 62 62 SER HB2 H 1 4.15 0.01 . 2 . . . . . . . . 5789 1 668 . 1 1 62 62 SER HB3 H 1 3.90 0.01 . 2 . . . . . . . . 5789 1 669 . 1 1 62 62 SER H H 1 8.33 0.01 . 1 . . . . . . . . 5789 1 670 . 1 1 62 62 SER C C 13 178.18 0.05 . 1 . . . . . . . . 5789 1 671 . 1 1 62 62 SER CA C 13 57.69 0.05 . 1 . . . . . . . . 5789 1 672 . 1 1 62 62 SER CB C 13 64.58 0.05 . 1 . . . . . . . . 5789 1 673 . 1 1 62 62 SER N N 15 116.65 0.05 . 1 . . . . . . . . 5789 1 674 . 1 1 63 63 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 5789 1 675 . 1 1 63 63 THR HB H 1 4.55 0.01 . 1 . . . . . . . . 5789 1 676 . 1 1 63 63 THR HG21 H 1 1.33 0.01 . 1 . . . . . . . . 5789 1 677 . 1 1 63 63 THR HG22 H 1 1.33 0.01 . 1 . . . . . . . . 5789 1 678 . 1 1 63 63 THR HG23 H 1 1.33 0.01 . 1 . . . . . . . . 5789 1 679 . 1 1 63 63 THR H H 1 9.82 0.01 . 1 . . . . . . . . 5789 1 680 . 1 1 63 63 THR C C 13 176.29 0.05 . 1 . . . . . . . . 5789 1 681 . 1 1 63 63 THR CA C 13 63.16 0.05 . 1 . . . . . . . . 5789 1 682 . 1 1 63 63 THR CB C 13 68.42 0.05 . 1 . . . . . . . . 5789 1 683 . 1 1 63 63 THR CG2 C 13 21.45 0.05 . 1 . . . . . . . . 5789 1 684 . 1 1 63 63 THR N N 15 121.26 0.05 . 1 . . . . . . . . 5789 1 685 . 1 1 64 64 GLY HA2 H 1 4.62 0.01 . 2 . . . . . . . . 5789 1 686 . 1 1 64 64 GLY HA3 H 1 3.44 0.01 . 2 . . . . . . . . 5789 1 687 . 1 1 64 64 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 5789 1 688 . 1 1 64 64 GLY C C 13 174.59 0.05 . 1 . . . . . . . . 5789 1 689 . 1 1 64 64 GLY CA C 13 47.97 0.05 . 1 . . . . . . . . 5789 1 690 . 1 1 64 64 GLY N N 15 108.48 0.05 . 1 . . . . . . . . 5789 1 691 . 1 1 65 65 ILE HA H 1 4.35 0.01 . 1 . . . . . . . . 5789 1 692 . 1 1 65 65 ILE HB H 1 2.28 0.01 . 1 . . . . . . . . 5789 1 693 . 1 1 65 65 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5789 1 694 . 1 1 65 65 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5789 1 695 . 1 1 65 65 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5789 1 696 . 1 1 65 65 ILE HG12 H 1 1.45 0.01 . 2 . . . . . . . . 5789 1 697 . 1 1 65 65 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 698 . 1 1 65 65 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 699 . 1 1 65 65 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 700 . 1 1 65 65 ILE H H 1 7.55 0.01 . 1 . . . . . . . . 5789 1 701 . 1 1 65 65 ILE C C 13 175.65 0.05 . 1 . . . . . . . . 5789 1 702 . 1 1 65 65 ILE CA C 13 62.53 0.05 . 1 . . . . . . . . 5789 1 703 . 1 1 65 65 ILE CB C 13 38.06 0.05 . 1 . . . . . . . . 5789 1 704 . 1 1 65 65 ILE CD1 C 13 14.25 0.05 . 1 . . . . . . . . 5789 1 705 . 1 1 65 65 ILE CG1 C 13 26.53 0.05 . 1 . . . . . . . . 5789 1 706 . 1 1 65 65 ILE CG2 C 13 17.94 0.05 . 1 . . . . . . . . 5789 1 707 . 1 1 65 65 ILE N N 15 120.00 0.05 . 1 . . . . . . . . 5789 1 708 . 1 1 66 66 GLY HA2 H 1 4.46 0.01 . 2 . . . . . . . . 5789 1 709 . 1 1 66 66 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 5789 1 710 . 1 1 66 66 GLY H H 1 9.67 0.01 . 1 . . . . . . . . 5789 1 711 . 1 1 66 66 GLY C C 13 174.47 0.05 . 1 . . . . . . . . 5789 1 712 . 1 1 66 66 GLY CA C 13 43.20 0.05 . 1 . . . . . . . . 5789 1 713 . 1 1 66 66 GLY N N 15 114.09 0.05 . 1 . . . . . . . . 5789 1 714 . 1 1 67 67 ASN HA H 1 4.35 0.01 . 1 . . . . . . . . 5789 1 715 . 1 1 67 67 ASN HB2 H 1 2.96 0.01 . 1 . . . . . . . . 5789 1 716 . 1 1 67 67 ASN HB3 H 1 2.96 0.01 . 1 . . . . . . . . 5789 1 717 . 1 1 67 67 ASN HD21 H 1 7.62 0.01 . 1 . . . . . . . . 5789 1 718 . 1 1 67 67 ASN HD22 H 1 6.95 0.01 . 1 . . . . . . . . 5789 1 719 . 1 1 67 67 ASN H H 1 10.05 0.01 . 1 . . . . . . . . 5789 1 720 . 1 1 67 67 ASN C C 13 176.37 0.05 . 1 . . . . . . . . 5789 1 721 . 1 1 67 67 ASN CA C 13 54.30 0.05 . 1 . . . . . . . . 5789 1 722 . 1 1 67 67 ASN CB C 13 37.61 0.05 . 1 . . . . . . . . 5789 1 723 . 1 1 67 67 ASN CG C 13 178.56 0.05 . 1 . . . . . . . . 5789 1 724 . 1 1 67 67 ASN N N 15 116.27 0.05 . 1 . . . . . . . . 5789 1 725 . 1 1 67 67 ASN ND2 N 15 114.16 0.05 . 1 . . . . . . . . 5789 1 726 . 1 1 68 68 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 5789 1 727 . 1 1 68 68 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 5789 1 728 . 1 1 68 68 GLY H H 1 9.13 0.01 . 1 . . . . . . . . 5789 1 729 . 1 1 68 68 GLY C C 13 173.10 0.05 . 1 . . . . . . . . 5789 1 730 . 1 1 68 68 GLY CA C 13 46.77 0.05 . 1 . . . . . . . . 5789 1 731 . 1 1 68 68 GLY N N 15 104.83 0.05 . 1 . . . . . . . . 5789 1 732 . 1 1 69 69 ILE HA H 1 5.22 0.01 . 1 . . . . . . . . 5789 1 733 . 1 1 69 69 ILE HB H 1 1.88 0.01 . 1 . . . . . . . . 5789 1 734 . 1 1 69 69 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 5789 1 735 . 1 1 69 69 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 5789 1 736 . 1 1 69 69 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 5789 1 737 . 1 1 69 69 ILE H H 1 7.18 0.01 . 1 . . . . . . . . 5789 1 738 . 1 1 69 69 ILE C C 13 175.76 0.05 . 1 . . . . . . . . 5789 1 739 . 1 1 69 69 ILE CA C 13 58.89 0.05 . 1 . . . . . . . . 5789 1 740 . 1 1 69 69 ILE CB C 13 40.23 0.05 . 1 . . . . . . . . 5789 1 741 . 1 1 69 69 ILE CD1 C 13 14.82 0.05 . 1 . . . . . . . . 5789 1 742 . 1 1 69 69 ILE CG1 C 13 27.71 0.05 . 1 . . . . . . . . 5789 1 743 . 1 1 69 69 ILE CG2 C 13 19.28 0.05 . 1 . . . . . . . . 5789 1 744 . 1 1 69 69 ILE N N 15 118.46 0.05 . 1 . . . . . . . . 5789 1 745 . 1 1 70 70 ALA HA H 1 5.35 0.01 . 1 . . . . . . . . 5789 1 746 . 1 1 70 70 ALA HB1 H 1 0.70 0.01 . 1 . . . . . . . . 5789 1 747 . 1 1 70 70 ALA HB2 H 1 0.70 0.01 . 1 . . . . . . . . 5789 1 748 . 1 1 70 70 ALA HB3 H 1 0.70 0.01 . 1 . . . . . . . . 5789 1 749 . 1 1 70 70 ALA H H 1 8.87 0.01 . 1 . . . . . . . . 5789 1 750 . 1 1 70 70 ALA C C 13 175.09 0.05 . 1 . . . . . . . . 5789 1 751 . 1 1 70 70 ALA CA C 13 50.94 0.05 . 1 . . . . . . . . 5789 1 752 . 1 1 70 70 ALA CB C 13 24.77 0.05 . 1 . . . . . . . . 5789 1 753 . 1 1 70 70 ALA N N 15 127.63 0.05 . 1 . . . . . . . . 5789 1 754 . 1 1 71 71 ILE HA H 1 6.02 0.01 . 1 . . . . . . . . 5789 1 755 . 1 1 71 71 ILE HB H 1 2.13 0.01 . 1 . . . . . . . . 5789 1 756 . 1 1 71 71 ILE HD11 H 1 1.07 0.01 . 1 . . . . . . . . 5789 1 757 . 1 1 71 71 ILE HD12 H 1 1.07 0.01 . 1 . . . . . . . . 5789 1 758 . 1 1 71 71 ILE HD13 H 1 1.07 0.01 . 1 . . . . . . . . 5789 1 759 . 1 1 71 71 ILE HG12 H 1 1.86 0.01 . 1 . . . . . . . . 5789 1 760 . 1 1 71 71 ILE HG13 H 1 1.86 0.01 . 1 . . . . . . . . 5789 1 761 . 1 1 71 71 ILE HG21 H 1 0.95 0.01 . 1 . . . . . . . . 5789 1 762 . 1 1 71 71 ILE HG22 H 1 0.95 0.01 . 1 . . . . . . . . 5789 1 763 . 1 1 71 71 ILE HG23 H 1 0.95 0.01 . 1 . . . . . . . . 5789 1 764 . 1 1 71 71 ILE H H 1 7.77 0.01 . 1 . . . . . . . . 5789 1 765 . 1 1 71 71 ILE CA C 13 57.27 0.05 . 1 . . . . . . . . 5789 1 766 . 1 1 71 71 ILE CB C 13 39.03 0.05 . 1 . . . . . . . . 5789 1 767 . 1 1 71 71 ILE CD1 C 13 17.67 0.05 . 1 . . . . . . . . 5789 1 768 . 1 1 71 71 ILE CG2 C 13 19.42 0.05 . 1 . . . . . . . . 5789 1 769 . 1 1 71 71 ILE N N 15 115.08 0.05 . 1 . . . . . . . . 5789 1 770 . 1 1 72 72 PRO HA H 1 4.92 0.01 . 1 . . . . . . . . 5789 1 771 . 1 1 72 72 PRO HB2 H 1 2.43 0.01 . 1 . . . . . . . . 5789 1 772 . 1 1 72 72 PRO HB3 H 1 2.43 0.01 . 1 . . . . . . . . 5789 1 773 . 1 1 72 72 PRO HG2 H 1 1.70 0.01 . 1 . . . . . . . . 5789 1 774 . 1 1 72 72 PRO HG3 H 1 1.70 0.01 . 1 . . . . . . . . 5789 1 775 . 1 1 72 72 PRO C C 13 175.27 0.05 . 1 . . . . . . . . 5789 1 776 . 1 1 72 72 PRO CA C 13 63.18 0.05 . 1 . . . . . . . . 5789 1 777 . 1 1 72 72 PRO CB C 13 32.15 0.05 . 1 . . . . . . . . 5789 1 778 . 1 1 72 72 PRO CG C 13 27.70 0.05 . 1 . . . . . . . . 5789 1 779 . 1 1 73 73 HIS HA H 1 5.33 0.01 . 1 . . . . . . . . 5789 1 780 . 1 1 73 73 HIS HB2 H 1 3.36 0.01 . 2 . . . . . . . . 5789 1 781 . 1 1 73 73 HIS H H 1 8.95 0.01 . 1 . . . . . . . . 5789 1 782 . 1 1 73 73 HIS C C 13 172.21 0.05 . 1 . . . . . . . . 5789 1 783 . 1 1 73 73 HIS CA C 13 55.33 0.05 . 1 . . . . . . . . 5789 1 784 . 1 1 73 73 HIS CB C 13 31.26 0.05 . 1 . . . . . . . . 5789 1 785 . 1 1 73 73 HIS N N 15 115.08 0.05 . 1 . . . . . . . . 5789 1 786 . 1 1 74 74 GLY HA2 H 1 4.27 0.01 . 1 . . . . . . . . 5789 1 787 . 1 1 74 74 GLY HA3 H 1 4.27 0.01 . 1 . . . . . . . . 5789 1 788 . 1 1 74 74 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5789 1 789 . 1 1 74 74 GLY C C 13 170.72 0.05 . 1 . . . . . . . . 5789 1 790 . 1 1 74 74 GLY CA C 13 44.69 0.05 . 1 . . . . . . . . 5789 1 791 . 1 1 74 74 GLY N N 15 99.46 0.05 . 1 . . . . . . . . 5789 1 792 . 1 1 75 75 LYS HA H 1 5.19 0.01 . 1 . . . . . . . . 5789 1 793 . 1 1 75 75 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5789 1 794 . 1 1 75 75 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5789 1 795 . 1 1 75 75 LYS HD2 H 1 0.76 0.01 . 2 . . . . . . . . 5789 1 796 . 1 1 75 75 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 5789 1 797 . 1 1 75 75 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5789 1 798 . 1 1 75 75 LYS H H 1 8.59 0.01 . 1 . . . . . . . . 5789 1 799 . 1 1 75 75 LYS C C 13 175.17 0.05 . 1 . . . . . . . . 5789 1 800 . 1 1 75 75 LYS CA C 13 54.28 0.05 . 1 . . . . . . . . 5789 1 801 . 1 1 75 75 LYS CB C 13 34.60 0.05 . 1 . . . . . . . . 5789 1 802 . 1 1 75 75 LYS CD C 13 29.74 0.05 . 1 . . . . . . . . 5789 1 803 . 1 1 75 75 LYS CG C 13 24.21 0.05 . 1 . . . . . . . . 5789 1 804 . 1 1 75 75 LYS N N 15 122.24 0.05 . 1 . . . . . . . . 5789 1 805 . 1 1 76 76 LEU HA H 1 4.64 0.01 . 1 . . . . . . . . 5789 1 806 . 1 1 76 76 LEU HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5789 1 807 . 1 1 76 76 LEU HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5789 1 808 . 1 1 76 76 LEU HD11 H 1 0.74 0.01 . 2 . . . . . . . . 5789 1 809 . 1 1 76 76 LEU HD12 H 1 0.74 0.01 . 2 . . . . . . . . 5789 1 810 . 1 1 76 76 LEU HD13 H 1 0.74 0.01 . 2 . . . . . . . . 5789 1 811 . 1 1 76 76 LEU H H 1 8.40 0.01 . 1 . . . . . . . . 5789 1 812 . 1 1 76 76 LEU C C 13 176.59 0.05 . 1 . . . . . . . . 5789 1 813 . 1 1 76 76 LEU CA C 13 52.88 0.05 . 1 . . . . . . . . 5789 1 814 . 1 1 76 76 LEU CB C 13 43.83 0.05 . 1 . . . . . . . . 5789 1 815 . 1 1 76 76 LEU CD2 C 13 23.29 0.05 . 1 . . . . . . . . 5789 1 816 . 1 1 76 76 LEU CG C 13 27.11 0.05 . 1 . . . . . . . . 5789 1 817 . 1 1 76 76 LEU N N 15 123.98 0.05 . 1 . . . . . . . . 5789 1 818 . 1 1 77 77 GLU HA H 1 4.32 0.01 . 1 . . . . . . . . 5789 1 819 . 1 1 77 77 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5789 1 820 . 1 1 77 77 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 5789 1 821 . 1 1 77 77 GLU HG2 H 1 2.26 0.01 . 1 . . . . . . . . 5789 1 822 . 1 1 77 77 GLU HG3 H 1 2.26 0.01 . 1 . . . . . . . . 5789 1 823 . 1 1 77 77 GLU H H 1 8.86 0.01 . 1 . . . . . . . . 5789 1 824 . 1 1 77 77 GLU C C 13 174.83 0.05 . 1 . . . . . . . . 5789 1 825 . 1 1 77 77 GLU CA C 13 56.89 0.05 . 1 . . . . . . . . 5789 1 826 . 1 1 77 77 GLU CB C 13 29.78 0.05 . 1 . . . . . . . . 5789 1 827 . 1 1 77 77 GLU CG C 13 36.49 0.05 . 1 . . . . . . . . 5789 1 828 . 1 1 77 77 GLU N N 15 121.72 0.05 . 1 . . . . . . . . 5789 1 829 . 1 1 78 78 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5789 1 830 . 1 1 78 78 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5789 1 831 . 1 1 78 78 GLU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5789 1 832 . 1 1 78 78 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 5789 1 833 . 1 1 78 78 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 5789 1 834 . 1 1 78 78 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 5789 1 835 . 1 1 78 78 GLU C C 13 176.89 0.05 . 1 . . . . . . . . 5789 1 836 . 1 1 78 78 GLU CA C 13 57.23 0.05 . 1 . . . . . . . . 5789 1 837 . 1 1 78 78 GLU CB C 13 30.76 0.05 . 1 . . . . . . . . 5789 1 838 . 1 1 78 78 GLU CG C 13 36.41 0.05 . 1 . . . . . . . . 5789 1 839 . 1 1 78 78 GLU N N 15 119.43 0.05 . 1 . . . . . . . . 5789 1 840 . 1 1 79 79 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 5789 1 841 . 1 1 79 79 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . 5789 1 842 . 1 1 79 79 ASP HB3 H 1 2.74 0.01 . 1 . . . . . . . . 5789 1 843 . 1 1 79 79 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 5789 1 844 . 1 1 79 79 ASP C C 13 176.08 0.05 . 1 . . . . . . . . 5789 1 845 . 1 1 79 79 ASP CA C 13 54.88 0.05 . 1 . . . . . . . . 5789 1 846 . 1 1 79 79 ASP CB C 13 40.42 0.05 . 1 . . . . . . . . 5789 1 847 . 1 1 79 79 ASP N N 15 119.46 0.05 . 1 . . . . . . . . 5789 1 848 . 1 1 80 80 THR HA H 1 4.26 0.01 . 1 . . . . . . . . 5789 1 849 . 1 1 80 80 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5789 1 850 . 1 1 80 80 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 851 . 1 1 80 80 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 852 . 1 1 80 80 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 853 . 1 1 80 80 THR H H 1 7.77 0.01 . 1 . . . . . . . . 5789 1 854 . 1 1 80 80 THR C C 13 175.05 0.05 . 1 . . . . . . . . 5789 1 855 . 1 1 80 80 THR CA C 13 62.49 0.05 . 1 . . . . . . . . 5789 1 856 . 1 1 80 80 THR CB C 13 69.52 0.05 . 1 . . . . . . . . 5789 1 857 . 1 1 80 80 THR CG2 C 13 22.32 0.05 . 1 . . . . . . . . 5789 1 858 . 1 1 80 80 THR N N 15 113.26 0.05 . 1 . . . . . . . . 5789 1 859 . 1 1 81 81 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 5789 1 860 . 1 1 81 81 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5789 1 861 . 1 1 81 81 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 5789 1 862 . 1 1 81 81 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5789 1 863 . 1 1 81 81 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5789 1 864 . 1 1 81 81 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5789 1 865 . 1 1 81 81 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 5789 1 866 . 1 1 81 81 LEU C C 13 176.54 0.05 . 1 . . . . . . . . 5789 1 867 . 1 1 81 81 LEU CA C 13 56.90 0.05 . 1 . . . . . . . . 5789 1 868 . 1 1 81 81 LEU CB C 13 43.05 0.05 . 1 . . . . . . . . 5789 1 869 . 1 1 81 81 LEU CD1 C 13 25.60 0.05 . 1 . . . . . . . . 5789 1 870 . 1 1 81 81 LEU CD2 C 13 23.39 0.05 . 1 . . . . . . . . 5789 1 871 . 1 1 81 81 LEU CG C 13 27.05 0.05 . 1 . . . . . . . . 5789 1 872 . 1 1 81 81 LEU N N 15 120.63 0.05 . 1 . . . . . . . . 5789 1 873 . 1 1 82 82 ARG HA H 1 4.66 0.01 . 1 . . . . . . . . 5789 1 874 . 1 1 82 82 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5789 1 875 . 1 1 82 82 ARG HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5789 1 876 . 1 1 82 82 ARG HD2 H 1 3.20 0.01 . 1 . . . . . . . . 5789 1 877 . 1 1 82 82 ARG HD3 H 1 3.20 0.01 . 1 . . . . . . . . 5789 1 878 . 1 1 82 82 ARG HG2 H 1 1.51 0.01 . 1 . . . . . . . . 5789 1 879 . 1 1 82 82 ARG HG3 H 1 1.51 0.01 . 1 . . . . . . . . 5789 1 880 . 1 1 82 82 ARG H H 1 7.72 0.01 . 1 . . . . . . . . 5789 1 881 . 1 1 82 82 ARG C C 13 175.85 0.05 . 1 . . . . . . . . 5789 1 882 . 1 1 82 82 ARG CA C 13 54.40 0.05 . 1 . . . . . . . . 5789 1 883 . 1 1 82 82 ARG CB C 13 32.47 0.05 . 1 . . . . . . . . 5789 1 884 . 1 1 82 82 ARG CD C 13 43.53 0.05 . 1 . . . . . . . . 5789 1 885 . 1 1 82 82 ARG CG C 13 26.24 0.05 . 1 . . . . . . . . 5789 1 886 . 1 1 82 82 ARG N N 15 116.93 0.05 . 1 . . . . . . . . 5789 1 887 . 1 1 83 83 ALA HA H 1 4.82 0.01 . 1 . . . . . . . . 5789 1 888 . 1 1 83 83 ALA HB1 H 1 1.04 0.01 . 1 . . . . . . . . 5789 1 889 . 1 1 83 83 ALA HB2 H 1 1.04 0.01 . 1 . . . . . . . . 5789 1 890 . 1 1 83 83 ALA HB3 H 1 1.04 0.01 . 1 . . . . . . . . 5789 1 891 . 1 1 83 83 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 5789 1 892 . 1 1 83 83 ALA C C 13 176.00 0.05 . 1 . . . . . . . . 5789 1 893 . 1 1 83 83 ALA CA C 13 51.46 0.05 . 1 . . . . . . . . 5789 1 894 . 1 1 83 83 ALA CB C 13 19.40 0.05 . 1 . . . . . . . . 5789 1 895 . 1 1 83 83 ALA N N 15 121.25 0.05 . 1 . . . . . . . . 5789 1 896 . 1 1 84 84 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 5789 1 897 . 1 1 84 84 VAL HB H 1 1.83 0.01 . 1 . . . . . . . . 5789 1 898 . 1 1 84 84 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 899 . 1 1 84 84 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 900 . 1 1 84 84 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 5789 1 901 . 1 1 84 84 VAL H H 1 8.37 0.01 . 1 . . . . . . . . 5789 1 902 . 1 1 84 84 VAL C C 13 173.61 0.05 . 1 . . . . . . . . 5789 1 903 . 1 1 84 84 VAL CA C 13 61.91 0.05 . 1 . . . . . . . . 5789 1 904 . 1 1 84 84 VAL CB C 13 36.71 0.05 . 1 . . . . . . . . 5789 1 905 . 1 1 84 84 VAL CG1 C 13 21.65 0.05 . 1 . . . . . . . . 5789 1 906 . 1 1 84 84 VAL N N 15 119.36 0.05 . 1 . . . . . . . . 5789 1 907 . 1 1 85 85 GLY HA2 H 1 3.00 0.01 . 1 . . . . . . . . 5789 1 908 . 1 1 85 85 GLY HA3 H 1 5.51 0.01 . 1 . . . . . . . . 5789 1 909 . 1 1 85 85 GLY H H 1 8.65 0.01 . 1 . . . . . . . . 5789 1 910 . 1 1 85 85 GLY C C 13 171.62 0.05 . 1 . . . . . . . . 5789 1 911 . 1 1 85 85 GLY CA C 13 43.36 0.05 . 1 . . . . . . . . 5789 1 912 . 1 1 85 85 GLY N N 15 114.88 0.05 . 1 . . . . . . . . 5789 1 913 . 1 1 86 86 VAL HA H 1 4.43 0.01 . 1 . . . . . . . . 5789 1 914 . 1 1 86 86 VAL HB H 1 1.67 0.01 . 1 . . . . . . . . 5789 1 915 . 1 1 86 86 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 5789 1 916 . 1 1 86 86 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5789 1 917 . 1 1 86 86 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5789 1 918 . 1 1 86 86 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 5789 1 919 . 1 1 86 86 VAL C C 13 173.09 0.05 . 1 . . . . . . . . 5789 1 920 . 1 1 86 86 VAL CA C 13 60.49 0.05 . 1 . . . . . . . . 5789 1 921 . 1 1 86 86 VAL CB C 13 37.17 0.05 . 1 . . . . . . . . 5789 1 922 . 1 1 86 86 VAL CG1 C 13 23.32 0.05 . 1 . . . . . . . . 5789 1 923 . 1 1 86 86 VAL CG2 C 13 21.50 0.05 . 1 . . . . . . . . 5789 1 924 . 1 1 86 86 VAL N N 15 119.11 0.05 . 1 . . . . . . . . 5789 1 925 . 1 1 87 87 PHE HA H 1 5.88 0.01 . 1 . . . . . . . . 5789 1 926 . 1 1 87 87 PHE HB2 H 1 3.17 0.01 . 2 . . . . . . . . 5789 1 927 . 1 1 87 87 PHE HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5789 1 928 . 1 1 87 87 PHE H H 1 9.05 0.01 . 1 . . . . . . . . 5789 1 929 . 1 1 87 87 PHE HD1 H 1 7.01 0.01 . 1 . . . . . . . . 5789 1 930 . 1 1 87 87 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 5789 1 931 . 1 1 87 87 PHE HZ H 1 7.12 0.01 . 1 . . . . . . . . 5789 1 932 . 1 1 87 87 PHE C C 13 173.05 0.05 . 1 . . . . . . . . 5789 1 933 . 1 1 87 87 PHE CA C 13 55.82 0.05 . 1 . . . . . . . . 5789 1 934 . 1 1 87 87 PHE CB C 13 42.66 0.05 . 1 . . . . . . . . 5789 1 935 . 1 1 87 87 PHE CD1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 936 . 1 1 87 87 PHE CE1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 937 . 1 1 87 87 PHE CZ C 13 127.54 0.05 . 1 . . . . . . . . 5789 1 938 . 1 1 87 87 PHE N N 15 126.09 0.05 . 1 . . . . . . . . 5789 1 939 . 1 1 88 88 VAL HA H 1 4.91 0.01 . 1 . . . . . . . . 5789 1 940 . 1 1 88 88 VAL HB H 1 1.66 0.01 . 1 . . . . . . . . 5789 1 941 . 1 1 88 88 VAL HG11 H 1 0.68 0.01 . 2 . . . . . . . . 5789 1 942 . 1 1 88 88 VAL HG12 H 1 0.68 0.01 . 2 . . . . . . . . 5789 1 943 . 1 1 88 88 VAL HG13 H 1 0.68 0.01 . 2 . . . . . . . . 5789 1 944 . 1 1 88 88 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 5789 1 945 . 1 1 88 88 VAL C C 13 171.94 0.05 . 1 . . . . . . . . 5789 1 946 . 1 1 88 88 VAL CA C 13 59.09 0.05 . 1 . . . . . . . . 5789 1 947 . 1 1 88 88 VAL CB C 13 35.98 0.05 . 1 . . . . . . . . 5789 1 948 . 1 1 88 88 VAL CG1 C 13 21.58 0.05 . 1 . . . . . . . . 5789 1 949 . 1 1 88 88 VAL N N 15 122.39 0.05 . 1 . . . . . . . . 5789 1 950 . 1 1 89 89 GLN HA H 1 4.99 0.01 . 1 . . . . . . . . 5789 1 951 . 1 1 89 89 GLN HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5789 1 952 . 1 1 89 89 GLN HG2 H 1 2.22 0.01 . 2 . . . . . . . . 5789 1 953 . 1 1 89 89 GLN H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 954 . 1 1 89 89 GLN C C 13 174.42 0.05 . 1 . . . . . . . . 5789 1 955 . 1 1 89 89 GLN CA C 13 53.45 0.05 . 1 . . . . . . . . 5789 1 956 . 1 1 89 89 GLN CB C 13 32.88 0.05 . 1 . . . . . . . . 5789 1 957 . 1 1 89 89 GLN CG C 13 32.92 0.05 . 1 . . . . . . . . 5789 1 958 . 1 1 89 89 GLN N N 15 125.73 0.05 . 1 . . . . . . . . 5789 1 959 . 1 1 90 90 LEU HA H 1 4.73 0.01 . 1 . . . . . . . . 5789 1 960 . 1 1 90 90 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 5789 1 961 . 1 1 90 90 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5789 1 962 . 1 1 90 90 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5789 1 963 . 1 1 90 90 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5789 1 964 . 1 1 90 90 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5789 1 965 . 1 1 90 90 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 966 . 1 1 90 90 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 967 . 1 1 90 90 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 5789 1 968 . 1 1 90 90 LEU H H 1 9.13 0.01 . 1 . . . . . . . . 5789 1 969 . 1 1 90 90 LEU C C 13 177.09 0.05 . 1 . . . . . . . . 5789 1 970 . 1 1 90 90 LEU CA C 13 53.83 0.05 . 1 . . . . . . . . 5789 1 971 . 1 1 90 90 LEU CB C 13 42.30 0.05 . 1 . . . . . . . . 5789 1 972 . 1 1 90 90 LEU CD1 C 13 23.24 0.05 . 1 . . . . . . . . 5789 1 973 . 1 1 90 90 LEU CG C 13 27.08 0.05 . 1 . . . . . . . . 5789 1 974 . 1 1 90 90 LEU N N 15 125.64 0.05 . 1 . . . . . . . . 5789 1 975 . 1 1 91 91 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 976 . 1 1 91 91 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5789 1 977 . 1 1 91 91 GLU HB3 H 1 1.66 0.01 . 2 . . . . . . . . 5789 1 978 . 1 1 91 91 GLU HG2 H 1 2.18 0.01 . 1 . . . . . . . . 5789 1 979 . 1 1 91 91 GLU HG3 H 1 2.18 0.01 . 1 . . . . . . . . 5789 1 980 . 1 1 91 91 GLU H H 1 8.46 0.01 . 1 . . . . . . . . 5789 1 981 . 1 1 91 91 GLU C C 13 175.78 0.05 . 1 . . . . . . . . 5789 1 982 . 1 1 91 91 GLU CA C 13 58.45 0.05 . 1 . . . . . . . . 5789 1 983 . 1 1 91 91 GLU CB C 13 30.41 0.05 . 1 . . . . . . . . 5789 1 984 . 1 1 91 91 GLU CG C 13 35.66 0.05 . 1 . . . . . . . . 5789 1 985 . 1 1 91 91 GLU N N 15 121.34 0.05 . 1 . . . . . . . . 5789 1 986 . 1 1 92 92 THR HA H 1 4.80 0.01 . 1 . . . . . . . . 5789 1 987 . 1 1 92 92 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 5789 1 988 . 1 1 92 92 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 989 . 1 1 92 92 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 990 . 1 1 92 92 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 991 . 1 1 92 92 THR H H 1 7.61 0.01 . 1 . . . . . . . . 5789 1 992 . 1 1 92 92 THR CA C 13 58.15 0.05 . 1 . . . . . . . . 5789 1 993 . 1 1 92 92 THR CB C 13 71.38 0.05 . 1 . . . . . . . . 5789 1 994 . 1 1 92 92 THR N N 15 110.74 0.05 . 1 . . . . . . . . 5789 1 995 . 1 1 93 93 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 5789 1 996 . 1 1 93 93 PRO HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5789 1 997 . 1 1 93 93 PRO HB3 H 1 2.07 0.01 . 1 . . . . . . . . 5789 1 998 . 1 1 93 93 PRO HG2 H 1 1.80 0.01 . 1 . . . . . . . . 5789 1 999 . 1 1 93 93 PRO HG3 H 1 1.80 0.01 . 1 . . . . . . . . 5789 1 1000 . 1 1 93 93 PRO C C 13 176.85 0.05 . 1 . . . . . . . . 5789 1 1001 . 1 1 93 93 PRO CA C 13 62.47 0.05 . 1 . . . . . . . . 5789 1 1002 . 1 1 93 93 PRO CB C 13 33.07 0.05 . 1 . . . . . . . . 5789 1 1003 . 1 1 93 93 PRO CG C 13 27.63 0.05 . 1 . . . . . . . . 5789 1 1004 . 1 1 94 94 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 5789 1 1005 . 1 1 94 94 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 5789 1 1006 . 1 1 94 94 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 5789 1 1007 . 1 1 94 94 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 5789 1 1008 . 1 1 94 94 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 5789 1 1009 . 1 1 94 94 ILE HG12 H 1 1.10 0.01 . 2 . . . . . . . . 5789 1 1010 . 1 1 94 94 ILE HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5789 1 1011 . 1 1 94 94 ILE HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5789 1 1012 . 1 1 94 94 ILE HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5789 1 1013 . 1 1 94 94 ILE H H 1 8.64 0.01 . 1 . . . . . . . . 5789 1 1014 . 1 1 94 94 ILE C C 13 175.78 0.05 . 1 . . . . . . . . 5789 1 1015 . 1 1 94 94 ILE CA C 13 58.61 0.05 . 1 . . . . . . . . 5789 1 1016 . 1 1 94 94 ILE CB C 13 42.63 0.05 . 1 . . . . . . . . 5789 1 1017 . 1 1 94 94 ILE CD1 C 13 14.97 0.05 . 1 . . . . . . . . 5789 1 1018 . 1 1 94 94 ILE CG1 C 13 24.47 0.05 . 1 . . . . . . . . 5789 1 1019 . 1 1 94 94 ILE CG2 C 13 17.97 0.05 . 1 . . . . . . . . 5789 1 1020 . 1 1 94 94 ILE N N 15 114.41 0.05 . 1 . . . . . . . . 5789 1 1021 . 1 1 95 95 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 5789 1 1022 . 1 1 95 95 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 1023 . 1 1 95 95 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 1024 . 1 1 95 95 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5789 1 1025 . 1 1 95 95 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 5789 1 1026 . 1 1 95 95 ALA C C 13 178.38 0.05 . 1 . . . . . . . . 5789 1 1027 . 1 1 95 95 ALA CA C 13 54.01 0.05 . 1 . . . . . . . . 5789 1 1028 . 1 1 95 95 ALA CB C 13 18.18 0.05 . 1 . . . . . . . . 5789 1 1029 . 1 1 95 95 ALA N N 15 126.78 0.05 . 1 . . . . . . . . 5789 1 1030 . 1 1 96 96 PHE HA H 1 4.74 0.01 . 1 . . . . . . . . 5789 1 1031 . 1 1 96 96 PHE HB2 H 1 2.98 0.01 . 2 . . . . . . . . 5789 1 1032 . 1 1 96 96 PHE HB3 H 1 2.73 0.01 . 2 . . . . . . . . 5789 1 1033 . 1 1 96 96 PHE H H 1 9.03 0.01 . 1 . . . . . . . . 5789 1 1034 . 1 1 96 96 PHE HD1 H 1 7.01 0.01 . 1 . . . . . . . . 5789 1 1035 . 1 1 96 96 PHE HE1 H 1 7.23 0.01 . 1 . . . . . . . . 5789 1 1036 . 1 1 96 96 PHE HZ H 1 6.78 0.01 . 1 . . . . . . . . 5789 1 1037 . 1 1 96 96 PHE C C 13 177.17 0.05 . 1 . . . . . . . . 5789 1 1038 . 1 1 96 96 PHE CA C 13 56.00 0.05 . 1 . . . . . . . . 5789 1 1039 . 1 1 96 96 PHE CB C 13 46.25 0.05 . 1 . . . . . . . . 5789 1 1040 . 1 1 96 96 PHE CD1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 1041 . 1 1 96 96 PHE CE1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 1042 . 1 1 96 96 PHE CZ C 13 127.54 0.05 . 1 . . . . . . . . 5789 1 1043 . 1 1 96 96 PHE N N 15 126.30 0.05 . 1 . . . . . . . . 5789 1 1044 . 1 1 97 97 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 5789 1 1045 . 1 1 97 97 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 5789 1 1046 . 1 1 97 97 ASP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 5789 1 1047 . 1 1 97 97 ASP H H 1 8.70 0.01 . 1 . . . . . . . . 5789 1 1048 . 1 1 97 97 ASP C C 13 175.83 0.05 . 1 . . . . . . . . 5789 1 1049 . 1 1 97 97 ASP CA C 13 55.36 0.05 . 1 . . . . . . . . 5789 1 1050 . 1 1 97 97 ASP CB C 13 39.37 0.05 . 1 . . . . . . . . 5789 1 1051 . 1 1 97 97 ASP N N 15 121.26 0.05 . 1 . . . . . . . . 5789 1 1052 . 1 1 98 98 ALA HA H 1 4.59 0.01 . 1 . . . . . . . . 5789 1 1053 . 1 1 98 98 ALA HB1 H 1 1.65 0.01 . 1 . . . . . . . . 5789 1 1054 . 1 1 98 98 ALA HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5789 1 1055 . 1 1 98 98 ALA HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5789 1 1056 . 1 1 98 98 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 5789 1 1057 . 1 1 98 98 ALA C C 13 180.98 0.05 . 1 . . . . . . . . 5789 1 1058 . 1 1 98 98 ALA CA C 13 52.63 0.05 . 1 . . . . . . . . 5789 1 1059 . 1 1 98 98 ALA CB C 13 22.53 0.05 . 1 . . . . . . . . 5789 1 1060 . 1 1 98 98 ALA N N 15 118.65 0.05 . 1 . . . . . . . . 5789 1 1061 . 1 1 99 99 ILE HA H 1 4.15 0.01 . 1 . . . . . . . . 5789 1 1062 . 1 1 99 99 ILE HB H 1 2.04 0.01 . 1 . . . . . . . . 5789 1 1063 . 1 1 99 99 ILE HD11 H 1 0.96 0.01 . 1 . . . . . . . . 5789 1 1064 . 1 1 99 99 ILE HD12 H 1 0.96 0.01 . 1 . . . . . . . . 5789 1 1065 . 1 1 99 99 ILE HD13 H 1 0.96 0.01 . 1 . . . . . . . . 5789 1 1066 . 1 1 99 99 ILE HG12 H 1 1.50 0.01 . 2 . . . . . . . . 5789 1 1067 . 1 1 99 99 ILE HG13 H 1 1.33 0.01 . 2 . . . . . . . . 5789 1 1068 . 1 1 99 99 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5789 1 1069 . 1 1 99 99 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5789 1 1070 . 1 1 99 99 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5789 1 1071 . 1 1 99 99 ILE H H 1 8.19 0.01 . 1 . . . . . . . . 5789 1 1072 . 1 1 99 99 ILE C C 13 174.99 0.05 . 1 . . . . . . . . 5789 1 1073 . 1 1 99 99 ILE CA C 13 63.17 0.05 . 1 . . . . . . . . 5789 1 1074 . 1 1 99 99 ILE CB C 13 38.69 0.05 . 1 . . . . . . . . 5789 1 1075 . 1 1 99 99 ILE CD1 C 13 14.17 0.05 . 1 . . . . . . . . 5789 1 1076 . 1 1 99 99 ILE CG1 C 13 27.89 0.05 . 1 . . . . . . . . 5789 1 1077 . 1 1 99 99 ILE CG2 C 13 16.96 0.05 . 1 . . . . . . . . 5789 1 1078 . 1 1 99 99 ILE N N 15 119.50 0.05 . 1 . . . . . . . . 5789 1 1079 . 1 1 100 100 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 5789 1 1080 . 1 1 100 100 ASP HB2 H 1 3.23 0.01 . 2 . . . . . . . . 5789 1 1081 . 1 1 100 100 ASP HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5789 1 1082 . 1 1 100 100 ASP H H 1 7.57 0.01 . 1 . . . . . . . . 5789 1 1083 . 1 1 100 100 ASP C C 13 176.71 0.05 . 1 . . . . . . . . 5789 1 1084 . 1 1 100 100 ASP CA C 13 52.13 0.05 . 1 . . . . . . . . 5789 1 1085 . 1 1 100 100 ASP CB C 13 40.58 0.05 . 1 . . . . . . . . 5789 1 1086 . 1 1 100 100 ASP N N 15 117.13 0.05 . 1 . . . . . . . . 5789 1 1087 . 1 1 101 101 ASN HA H 1 4.34 0.01 . 1 . . . . . . . . 5789 1 1088 . 1 1 101 101 ASN HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5789 1 1089 . 1 1 101 101 ASN HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5789 1 1090 . 1 1 101 101 ASN HD21 H 1 7.55 0.01 . 1 . . . . . . . . 5789 1 1091 . 1 1 101 101 ASN HD22 H 1 6.85 0.01 . 1 . . . . . . . . 5789 1 1092 . 1 1 101 101 ASN H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 1093 . 1 1 101 101 ASN C C 13 173.77 0.05 . 1 . . . . . . . . 5789 1 1094 . 1 1 101 101 ASN CA C 13 54.80 0.05 . 1 . . . . . . . . 5789 1 1095 . 1 1 101 101 ASN CB C 13 38.38 0.05 . 1 . . . . . . . . 5789 1 1096 . 1 1 101 101 ASN CG C 13 180.63 0.05 . 1 . . . . . . . . 5789 1 1097 . 1 1 101 101 ASN N N 15 112.34 0.05 . 1 . . . . . . . . 5789 1 1098 . 1 1 101 101 ASN ND2 N 15 112.18 0.05 . 1 . . . . . . . . 5789 1 1099 . 1 1 102 102 GLN HA H 1 4.83 0.01 . 1 . . . . . . . . 5789 1 1100 . 1 1 102 102 GLN HB2 H 1 2.10 0.01 . 1 . . . . . . . . 5789 1 1101 . 1 1 102 102 GLN HB3 H 1 2.10 0.01 . 1 . . . . . . . . 5789 1 1102 . 1 1 102 102 GLN HE21 H 1 7.36 0.01 . 1 . . . . . . . . 5789 1 1103 . 1 1 102 102 GLN HE22 H 1 6.77 0.01 . 1 . . . . . . . . 5789 1 1104 . 1 1 102 102 GLN H H 1 7.46 0.01 . 1 . . . . . . . . 5789 1 1105 . 1 1 102 102 GLN CA C 13 53.29 0.05 . 1 . . . . . . . . 5789 1 1106 . 1 1 102 102 GLN CB C 13 28.02 0.05 . 1 . . . . . . . . 5789 1 1107 . 1 1 102 102 GLN CD C 13 180.04 0.05 . 1 . . . . . . . . 5789 1 1108 . 1 1 102 102 GLN N N 15 117.71 0.05 . 1 . . . . . . . . 5789 1 1109 . 1 1 102 102 GLN NE2 N 15 111.04 0.05 . 1 . . . . . . . . 5789 1 1110 . 1 1 103 103 PRO HA H 1 4.56 0.01 . 1 . . . . . . . . 5789 1 1111 . 1 1 103 103 PRO HB2 H 1 1.61 0.01 . 2 . . . . . . . . 5789 1 1112 . 1 1 103 103 PRO HG2 H 1 1.94 0.01 . 2 . . . . . . . . 5789 1 1113 . 1 1 103 103 PRO C C 13 174.52 0.05 . 1 . . . . . . . . 5789 1 1114 . 1 1 103 103 PRO CA C 13 63.13 0.05 . 1 . . . . . . . . 5789 1 1115 . 1 1 103 103 PRO CB C 13 32.41 0.05 . 1 . . . . . . . . 5789 1 1116 . 1 1 103 103 PRO CG C 13 26.86 0.05 . 1 . . . . . . . . 5789 1 1117 . 1 1 104 104 VAL HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 1118 . 1 1 104 104 VAL HB H 1 1.40 0.01 . 1 . . . . . . . . 5789 1 1119 . 1 1 104 104 VAL HG11 H 1 0.52 0.01 . 2 . . . . . . . . 5789 1 1120 . 1 1 104 104 VAL HG12 H 1 0.52 0.01 . 2 . . . . . . . . 5789 1 1121 . 1 1 104 104 VAL HG13 H 1 0.52 0.01 . 2 . . . . . . . . 5789 1 1122 . 1 1 104 104 VAL HG21 H 1 0.27 0.01 . 2 . . . . . . . . 5789 1 1123 . 1 1 104 104 VAL HG22 H 1 0.27 0.01 . 2 . . . . . . . . 5789 1 1124 . 1 1 104 104 VAL HG23 H 1 0.27 0.01 . 2 . . . . . . . . 5789 1 1125 . 1 1 104 104 VAL H H 1 9.22 0.01 . 1 . . . . . . . . 5789 1 1126 . 1 1 104 104 VAL C C 13 174.34 0.05 . 1 . . . . . . . . 5789 1 1127 . 1 1 104 104 VAL CA C 13 61.32 0.05 . 1 . . . . . . . . 5789 1 1128 . 1 1 104 104 VAL CB C 13 35.86 0.05 . 1 . . . . . . . . 5789 1 1129 . 1 1 104 104 VAL CG1 C 13 22.60 0.05 . 1 . . . . . . . . 5789 1 1130 . 1 1 104 104 VAL CG2 C 13 21.13 0.05 . 1 . . . . . . . . 5789 1 1131 . 1 1 104 104 VAL N N 15 119.45 0.05 . 1 . . . . . . . . 5789 1 1132 . 1 1 105 105 ASP HA H 1 4.60 0.01 . 1 . . . . . . . . 5789 1 1133 . 1 1 105 105 ASP HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5789 1 1134 . 1 1 105 105 ASP HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5789 1 1135 . 1 1 105 105 ASP H H 1 9.00 0.01 . 1 . . . . . . . . 5789 1 1136 . 1 1 105 105 ASP C C 13 173.64 0.05 . 1 . . . . . . . . 5789 1 1137 . 1 1 105 105 ASP CA C 13 53.00 0.05 . 1 . . . . . . . . 5789 1 1138 . 1 1 105 105 ASP CB C 13 42.39 0.05 . 1 . . . . . . . . 5789 1 1139 . 1 1 105 105 ASP N N 15 121.85 0.05 . 1 . . . . . . . . 5789 1 1140 . 1 1 106 106 LEU HA H 1 5.12 0.01 . 1 . . . . . . . . 5789 1 1141 . 1 1 106 106 LEU HB2 H 1 1.22 0.01 . 2 . . . . . . . . 5789 1 1142 . 1 1 106 106 LEU HD11 H 1 1.00 0.01 . 2 . . . . . . . . 5789 1 1143 . 1 1 106 106 LEU HD12 H 1 1.00 0.01 . 2 . . . . . . . . 5789 1 1144 . 1 1 106 106 LEU HD13 H 1 1.00 0.01 . 2 . . . . . . . . 5789 1 1145 . 1 1 106 106 LEU HG H 1 2.13 0.01 . 1 . . . . . . . . 5789 1 1146 . 1 1 106 106 LEU H H 1 7.54 0.01 . 1 . . . . . . . . 5789 1 1147 . 1 1 106 106 LEU C C 13 174.56 0.05 . 1 . . . . . . . . 5789 1 1148 . 1 1 106 106 LEU CA C 13 53.92 0.05 . 1 . . . . . . . . 5789 1 1149 . 1 1 106 106 LEU CB C 13 44.92 0.05 . 1 . . . . . . . . 5789 1 1150 . 1 1 106 106 LEU CD1 C 13 23.66 0.05 . 1 . . . . . . . . 5789 1 1151 . 1 1 106 106 LEU CG C 13 26.10 0.05 . 1 . . . . . . . . 5789 1 1152 . 1 1 106 106 LEU N N 15 120.63 0.05 . 1 . . . . . . . . 5789 1 1153 . 1 1 107 107 LEU HA H 1 5.41 0.01 . 1 . . . . . . . . 5789 1 1154 . 1 1 107 107 LEU HB2 H 1 1.51 0.01 . 2 . . . . . . . . 5789 1 1155 . 1 1 107 107 LEU HB3 H 1 0.98 0.01 . 2 . . . . . . . . 5789 1 1156 . 1 1 107 107 LEU HD11 H 1 0.47 0.01 . 2 . . . . . . . . 5789 1 1157 . 1 1 107 107 LEU HD12 H 1 0.47 0.01 . 2 . . . . . . . . 5789 1 1158 . 1 1 107 107 LEU HD13 H 1 0.47 0.01 . 2 . . . . . . . . 5789 1 1159 . 1 1 107 107 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . 5789 1 1160 . 1 1 107 107 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 5789 1 1161 . 1 1 107 107 LEU C C 13 173.58 0.05 . 1 . . . . . . . . 5789 1 1162 . 1 1 107 107 LEU CA C 13 54.54 0.05 . 1 . . . . . . . . 5789 1 1163 . 1 1 107 107 LEU CB C 13 44.29 0.05 . 1 . . . . . . . . 5789 1 1164 . 1 1 107 107 LEU CD1 C 13 26.64 0.05 . 1 . . . . . . . . 5789 1 1165 . 1 1 107 107 LEU CG C 13 28.48 0.05 . 1 . . . . . . . . 5789 1 1166 . 1 1 107 107 LEU N N 15 120.32 0.05 . 1 . . . . . . . . 5789 1 1167 . 1 1 108 108 PHE HA H 1 5.61 0.01 . 1 . . . . . . . . 5789 1 1168 . 1 1 108 108 PHE HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5789 1 1169 . 1 1 108 108 PHE HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5789 1 1170 . 1 1 108 108 PHE H H 1 8.44 0.01 . 1 . . . . . . . . 5789 1 1171 . 1 1 108 108 PHE HD1 H 1 7.00 0.01 . 1 . . . . . . . . 5789 1 1172 . 1 1 108 108 PHE HE1 H 1 7.28 0.01 . 1 . . . . . . . . 5789 1 1173 . 1 1 108 108 PHE HZ H 1 6.92 0.01 . 1 . . . . . . . . 5789 1 1174 . 1 1 108 108 PHE C C 13 172.66 0.05 . 1 . . . . . . . . 5789 1 1175 . 1 1 108 108 PHE CA C 13 55.51 0.05 . 1 . . . . . . . . 5789 1 1176 . 1 1 108 108 PHE CB C 13 42.08 0.05 . 1 . . . . . . . . 5789 1 1177 . 1 1 108 108 PHE CD1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 1178 . 1 1 108 108 PHE CE1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 1179 . 1 1 108 108 PHE CZ C 13 128.79 0.05 . 1 . . . . . . . . 5789 1 1180 . 1 1 108 108 PHE N N 15 123.95 0.05 . 1 . . . . . . . . 5789 1 1181 . 1 1 109 109 ALA HA H 1 6.04 0.01 . 1 . . . . . . . . 5789 1 1182 . 1 1 109 109 ALA HB1 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 1183 . 1 1 109 109 ALA HB2 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 1184 . 1 1 109 109 ALA HB3 H 1 1.02 0.01 . 1 . . . . . . . . 5789 1 1185 . 1 1 109 109 ALA H H 1 9.14 0.01 . 1 . . . . . . . . 5789 1 1186 . 1 1 109 109 ALA C C 13 176.09 0.05 . 1 . . . . . . . . 5789 1 1187 . 1 1 109 109 ALA CA C 13 48.19 0.05 . 1 . . . . . . . . 5789 1 1188 . 1 1 109 109 ALA CB C 13 25.11 0.05 . 1 . . . . . . . . 5789 1 1189 . 1 1 109 109 ALA N N 15 126.24 0.05 . 1 . . . . . . . . 5789 1 1190 . 1 1 110 110 LEU HA H 1 5.01 0.01 . 1 . . . . . . . . 5789 1 1191 . 1 1 110 110 LEU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5789 1 1192 . 1 1 110 110 LEU HB3 H 1 1.21 0.01 . 2 . . . . . . . . 5789 1 1193 . 1 1 110 110 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 5789 1 1194 . 1 1 110 110 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 5789 1 1195 . 1 1 110 110 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 5789 1 1196 . 1 1 110 110 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 5789 1 1197 . 1 1 110 110 LEU H H 1 7.68 0.01 . 1 . . . . . . . . 5789 1 1198 . 1 1 110 110 LEU C C 13 173.72 0.05 . 1 . . . . . . . . 5789 1 1199 . 1 1 110 110 LEU CA C 13 53.60 0.05 . 1 . . . . . . . . 5789 1 1200 . 1 1 110 110 LEU CB C 13 47.87 0.05 . 1 . . . . . . . . 5789 1 1201 . 1 1 110 110 LEU CD1 C 13 23.54 0.05 . 1 . . . . . . . . 5789 1 1202 . 1 1 110 110 LEU CG C 13 27.27 0.05 . 1 . . . . . . . . 5789 1 1203 . 1 1 110 110 LEU N N 15 117.54 0.05 . 1 . . . . . . . . 5789 1 1204 . 1 1 111 111 LEU HA H 1 5.20 0.01 . 1 . . . . . . . . 5789 1 1205 . 1 1 111 111 LEU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 5789 1 1206 . 1 1 111 111 LEU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5789 1 1207 . 1 1 111 111 LEU H H 1 8.89 0.01 . 1 . . . . . . . . 5789 1 1208 . 1 1 111 111 LEU C C 13 179.51 0.05 . 1 . . . . . . . . 5789 1 1209 . 1 1 111 111 LEU CA C 13 51.17 0.05 . 1 . . . . . . . . 5789 1 1210 . 1 1 111 111 LEU CB C 13 41.16 0.05 . 1 . . . . . . . . 5789 1 1211 . 1 1 111 111 LEU CD1 C 13 22.98 0.05 . 1 . . . . . . . . 5789 1 1212 . 1 1 111 111 LEU CG C 13 28.83 0.05 . 1 . . . . . . . . 5789 1 1213 . 1 1 111 111 LEU N N 15 129.78 0.05 . 1 . . . . . . . . 5789 1 1214 . 1 1 112 112 VAL HA H 1 3.91 0.01 . 1 . . . . . . . . 5789 1 1215 . 1 1 112 112 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 5789 1 1216 . 1 1 112 112 VAL CA C 13 58.82 0.05 . 1 . . . . . . . . 5789 1 1217 . 1 1 112 112 VAL CB C 13 32.70 0.05 . 1 . . . . . . . . 5789 1 1218 . 1 1 112 112 VAL N N 15 116.74 0.05 . 1 . . . . . . . . 5789 1 1219 . 1 1 113 113 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 5789 1 1220 . 1 1 113 113 PRO HB2 H 1 2.51 0.01 . 2 . . . . . . . . 5789 1 1221 . 1 1 113 113 PRO HG2 H 1 1.97 0.01 . 2 . . . . . . . . 5789 1 1222 . 1 1 113 113 PRO HG3 H 1 1.72 0.01 . 2 . . . . . . . . 5789 1 1223 . 1 1 113 113 PRO C C 13 178.34 0.05 . 1 . . . . . . . . 5789 1 1224 . 1 1 113 113 PRO CA C 13 62.51 0.05 . 1 . . . . . . . . 5789 1 1225 . 1 1 113 113 PRO CB C 13 32.81 0.05 . 1 . . . . . . . . 5789 1 1226 . 1 1 113 113 PRO CD C 13 50.95 0.05 . 1 . . . . . . . . 5789 1 1227 . 1 1 113 113 PRO CG C 13 28.01 0.05 . 1 . . . . . . . . 5789 1 1228 . 1 1 114 114 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 5789 1 1229 . 1 1 114 114 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1230 . 1 1 114 114 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1231 . 1 1 114 114 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1232 . 1 1 114 114 ALA H H 1 8.34 0.01 . 1 . . . . . . . . 5789 1 1233 . 1 1 114 114 ALA C C 13 178.20 0.05 . 1 . . . . . . . . 5789 1 1234 . 1 1 114 114 ALA CA C 13 55.20 0.05 . 1 . . . . . . . . 5789 1 1235 . 1 1 114 114 ALA CB C 13 19.04 0.05 . 1 . . . . . . . . 5789 1 1236 . 1 1 114 114 ALA N N 15 124.31 0.05 . 1 . . . . . . . . 5789 1 1237 . 1 1 115 115 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 5789 1 1238 . 1 1 115 115 ASP HB2 H 1 2.81 0.01 . 1 . . . . . . . . 5789 1 1239 . 1 1 115 115 ASP HB3 H 1 2.81 0.01 . 1 . . . . . . . . 5789 1 1240 . 1 1 115 115 ASP H H 1 8.60 0.01 . 1 . . . . . . . . 5789 1 1241 . 1 1 115 115 ASP C C 13 176.91 0.05 . 1 . . . . . . . . 5789 1 1242 . 1 1 115 115 ASP CA C 13 54.64 0.05 . 1 . . . . . . . . 5789 1 1243 . 1 1 115 115 ASP CB C 13 40.43 0.05 . 1 . . . . . . . . 5789 1 1244 . 1 1 115 115 ASP N N 15 114.98 0.05 . 1 . . . . . . . . 5789 1 1245 . 1 1 116 116 GLN HA H 1 4.47 0.01 . 1 . . . . . . . . 5789 1 1246 . 1 1 116 116 GLN HB2 H 1 2.28 0.01 . 1 . . . . . . . . 5789 1 1247 . 1 1 116 116 GLN HB3 H 1 2.28 0.01 . 1 . . . . . . . . 5789 1 1248 . 1 1 116 116 GLN HE21 H 1 7.40 0.01 . 1 . . . . . . . . 5789 1 1249 . 1 1 116 116 GLN HE22 H 1 6.79 0.01 . 1 . . . . . . . . 5789 1 1250 . 1 1 116 116 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5789 1 1251 . 1 1 116 116 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 5789 1 1252 . 1 1 116 116 GLN H H 1 8.23 0.01 . 1 . . . . . . . . 5789 1 1253 . 1 1 116 116 GLN C C 13 176.50 0.05 . 1 . . . . . . . . 5789 1 1254 . 1 1 116 116 GLN CA C 13 55.31 0.05 . 1 . . . . . . . . 5789 1 1255 . 1 1 116 116 GLN CB C 13 29.35 0.05 . 1 . . . . . . . . 5789 1 1256 . 1 1 116 116 GLN CD C 13 180.17 0.05 . 1 . . . . . . . . 5789 1 1257 . 1 1 116 116 GLN CG C 13 33.41 0.05 . 1 . . . . . . . . 5789 1 1258 . 1 1 116 116 GLN N N 15 118.84 0.05 . 1 . . . . . . . . 5789 1 1259 . 1 1 116 116 GLN NE2 N 15 111.60 0.05 . 1 . . . . . . . . 5789 1 1260 . 1 1 117 117 THR H H 1 7.80 0.01 . 1 . . . . . . . . 5789 1 1261 . 1 1 117 117 THR CA C 13 65.81 0.05 . 1 . . . . . . . . 5789 1 1262 . 1 1 117 117 THR N N 15 113.89 0.05 . 1 . . . . . . . . 5789 1 1263 . 1 1 119 119 THR HA H 1 4.03 0.01 . 1 . . . . . . . . 5789 1 1264 . 1 1 119 119 THR HB H 1 4.48 0.01 . 1 . . . . . . . . 5789 1 1265 . 1 1 119 119 THR HG21 H 1 0.98 0.01 . 1 . . . . . . . . 5789 1 1266 . 1 1 119 119 THR HG22 H 1 0.98 0.01 . 1 . . . . . . . . 5789 1 1267 . 1 1 119 119 THR HG23 H 1 0.98 0.01 . 1 . . . . . . . . 5789 1 1268 . 1 1 119 119 THR C C 13 176.25 0.05 . 1 . . . . . . . . 5789 1 1269 . 1 1 119 119 THR CA C 13 64.94 0.05 . 1 . . . . . . . . 5789 1 1270 . 1 1 119 119 THR CB C 13 69.00 0.05 . 1 . . . . . . . . 5789 1 1271 . 1 1 119 119 THR CG2 C 13 21.48 0.05 . 1 . . . . . . . . 5789 1 1272 . 1 1 120 120 HIS HB2 H 1 3.22 0.01 . 2 . . . . . . . . 5789 1 1273 . 1 1 120 120 HIS HB3 H 1 2.88 0.01 . 2 . . . . . . . . 5789 1 1274 . 1 1 120 120 HIS H H 1 7.66 0.01 . 1 . . . . . . . . 5789 1 1275 . 1 1 120 120 HIS C C 13 176.96 0.05 . 1 . . . . . . . . 5789 1 1276 . 1 1 120 120 HIS CA C 13 58.78 0.05 . 1 . . . . . . . . 5789 1 1277 . 1 1 120 120 HIS CB C 13 31.75 0.05 . 1 . . . . . . . . 5789 1 1278 . 1 1 120 120 HIS N N 15 118.29 0.05 . 1 . . . . . . . . 5789 1 1279 . 1 1 121 121 LEU H H 1 7.95 0.01 . 1 . . . . . . . . 5789 1 1280 . 1 1 121 121 LEU CA C 13 58.06 0.05 . 1 . . . . . . . . 5789 1 1281 . 1 1 121 121 LEU CB C 13 41.09 0.05 . 1 . . . . . . . . 5789 1 1282 . 1 1 121 121 LEU N N 15 120.97 0.05 . 1 . . . . . . . . 5789 1 1283 . 1 1 122 122 HIS HB2 H 1 3.19 0.01 . 1 . . . . . . . . 5789 1 1284 . 1 1 122 122 HIS HB3 H 1 3.19 0.01 . 1 . . . . . . . . 5789 1 1285 . 1 1 122 122 HIS C C 13 177.18 0.05 . 1 . . . . . . . . 5789 1 1286 . 1 1 122 122 HIS CA C 13 58.91 0.05 . 1 . . . . . . . . 5789 1 1287 . 1 1 122 122 HIS CB C 13 30.29 0.05 . 1 . . . . . . . . 5789 1 1288 . 1 1 123 123 THR HA H 1 3.65 0.01 . 1 . . . . . . . . 5789 1 1289 . 1 1 123 123 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 5789 1 1290 . 1 1 123 123 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 5789 1 1291 . 1 1 123 123 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 5789 1 1292 . 1 1 123 123 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 5789 1 1293 . 1 1 123 123 THR H H 1 7.51 0.01 . 1 . . . . . . . . 5789 1 1294 . 1 1 123 123 THR C C 13 175.61 0.05 . 1 . . . . . . . . 5789 1 1295 . 1 1 123 123 THR CA C 13 66.74 0.05 . 1 . . . . . . . . 5789 1 1296 . 1 1 123 123 THR CB C 13 67.59 0.05 . 1 . . . . . . . . 5789 1 1297 . 1 1 123 123 THR CG2 C 13 22.69 0.05 . 1 . . . . . . . . 5789 1 1298 . 1 1 123 123 THR N N 15 116.84 0.05 . 1 . . . . . . . . 5789 1 1299 . 1 1 124 124 LEU HA H 1 3.80 0.01 . 1 . . . . . . . . 5789 1 1300 . 1 1 124 124 LEU HB2 H 1 1.78 0.01 . 2 . . . . . . . . 5789 1 1301 . 1 1 124 124 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 5789 1 1302 . 1 1 124 124 LEU HD11 H 1 0.59 0.01 . 2 . . . . . . . . 5789 1 1303 . 1 1 124 124 LEU HD12 H 1 0.59 0.01 . 2 . . . . . . . . 5789 1 1304 . 1 1 124 124 LEU HD13 H 1 0.59 0.01 . 2 . . . . . . . . 5789 1 1305 . 1 1 124 124 LEU H H 1 7.87 0.01 . 1 . . . . . . . . 5789 1 1306 . 1 1 124 124 LEU C C 13 178.57 0.05 . 1 . . . . . . . . 5789 1 1307 . 1 1 124 124 LEU CA C 13 58.31 0.05 . 1 . . . . . . . . 5789 1 1308 . 1 1 124 124 LEU CB C 13 41.57 0.05 . 1 . . . . . . . . 5789 1 1309 . 1 1 124 124 LEU CD1 C 13 23.91 0.05 . 1 . . . . . . . . 5789 1 1310 . 1 1 124 124 LEU CG C 13 26.50 0.05 . 1 . . . . . . . . 5789 1 1311 . 1 1 124 124 LEU N N 15 119.48 0.05 . 1 . . . . . . . . 5789 1 1312 . 1 1 125 125 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 5789 1 1313 . 1 1 125 125 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 1314 . 1 1 125 125 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 1315 . 1 1 125 125 SER H H 1 7.62 0.01 . 1 . . . . . . . . 5789 1 1316 . 1 1 125 125 SER C C 13 176.71 0.05 . 1 . . . . . . . . 5789 1 1317 . 1 1 125 125 SER CA C 13 61.49 0.05 . 1 . . . . . . . . 5789 1 1318 . 1 1 125 125 SER CB C 13 62.65 0.05 . 1 . . . . . . . . 5789 1 1319 . 1 1 125 125 SER N N 15 114.43 0.05 . 1 . . . . . . . . 5789 1 1320 . 1 1 126 126 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 5789 1 1321 . 1 1 126 126 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5789 1 1322 . 1 1 126 126 LEU HB3 H 1 1.50 0.01 . 2 . . . . . . . . 5789 1 1323 . 1 1 126 126 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5789 1 1324 . 1 1 126 126 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5789 1 1325 . 1 1 126 126 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5789 1 1326 . 1 1 126 126 LEU H H 1 7.76 0.01 . 1 . . . . . . . . 5789 1 1327 . 1 1 126 126 LEU C C 13 179.78 0.05 . 1 . . . . . . . . 5789 1 1328 . 1 1 126 126 LEU CA C 13 57.82 0.05 . 1 . . . . . . . . 5789 1 1329 . 1 1 126 126 LEU CB C 13 41.86 0.05 . 1 . . . . . . . . 5789 1 1330 . 1 1 126 126 LEU CD1 C 13 25.14 0.05 . 1 . . . . . . . . 5789 1 1331 . 1 1 126 126 LEU CD2 C 13 23.55 0.05 . 1 . . . . . . . . 5789 1 1332 . 1 1 126 126 LEU CG C 13 26.73 0.05 . 1 . . . . . . . . 5789 1 1333 . 1 1 126 126 LEU N N 15 122.84 0.05 . 1 . . . . . . . . 5789 1 1334 . 1 1 127 127 VAL HA H 1 3.15 0.01 . 1 . . . . . . . . 5789 1 1335 . 1 1 127 127 VAL HB H 1 1.72 0.01 . 1 . . . . . . . . 5789 1 1336 . 1 1 127 127 VAL HG11 H 1 0.25 0.01 . 2 . . . . . . . . 5789 1 1337 . 1 1 127 127 VAL HG12 H 1 0.25 0.01 . 2 . . . . . . . . 5789 1 1338 . 1 1 127 127 VAL HG13 H 1 0.25 0.01 . 2 . . . . . . . . 5789 1 1339 . 1 1 127 127 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 5789 1 1340 . 1 1 127 127 VAL C C 13 176.95 0.05 . 1 . . . . . . . . 5789 1 1341 . 1 1 127 127 VAL CA C 13 66.98 0.05 . 1 . . . . . . . . 5789 1 1342 . 1 1 127 127 VAL CB C 13 31.17 0.05 . 1 . . . . . . . . 5789 1 1343 . 1 1 127 127 VAL CG1 C 13 21.95 0.05 . 1 . . . . . . . . 5789 1 1344 . 1 1 127 127 VAL CG2 C 13 20.85 0.05 . 1 . . . . . . . . 5789 1 1345 . 1 1 127 127 VAL N N 15 120.72 0.05 . 1 . . . . . . . . 5789 1 1346 . 1 1 128 128 ALA HA H 1 3.77 0.01 . 1 . . . . . . . . 5789 1 1347 . 1 1 128 128 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5789 1 1348 . 1 1 128 128 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5789 1 1349 . 1 1 128 128 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5789 1 1350 . 1 1 128 128 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 5789 1 1351 . 1 1 128 128 ALA C C 13 179.57 0.05 . 1 . . . . . . . . 5789 1 1352 . 1 1 128 128 ALA CA C 13 55.59 0.05 . 1 . . . . . . . . 5789 1 1353 . 1 1 128 128 ALA CB C 13 17.70 0.05 . 1 . . . . . . . . 5789 1 1354 . 1 1 128 128 ALA N N 15 120.80 0.05 . 1 . . . . . . . . 5789 1 1355 . 1 1 129 129 LYS HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 1356 . 1 1 129 129 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5789 1 1357 . 1 1 129 129 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5789 1 1358 . 1 1 129 129 LYS HD2 H 1 1.41 0.01 . 1 . . . . . . . . 5789 1 1359 . 1 1 129 129 LYS HD3 H 1 1.41 0.01 . 1 . . . . . . . . 5789 1 1360 . 1 1 129 129 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 5789 1 1361 . 1 1 129 129 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 5789 1 1362 . 1 1 129 129 LYS HG2 H 1 1.60 0.01 . 1 . . . . . . . . 5789 1 1363 . 1 1 129 129 LYS HG3 H 1 1.60 0.01 . 1 . . . . . . . . 5789 1 1364 . 1 1 129 129 LYS H H 1 7.63 0.01 . 1 . . . . . . . . 5789 1 1365 . 1 1 129 129 LYS C C 13 179.20 0.05 . 1 . . . . . . . . 5789 1 1366 . 1 1 129 129 LYS CA C 13 59.19 0.05 . 1 . . . . . . . . 5789 1 1367 . 1 1 129 129 LYS CB C 13 32.53 0.05 . 1 . . . . . . . . 5789 1 1368 . 1 1 129 129 LYS CD C 13 29.43 0.05 . 1 . . . . . . . . 5789 1 1369 . 1 1 129 129 LYS CE C 13 41.91 0.05 . 1 . . . . . . . . 5789 1 1370 . 1 1 129 129 LYS CG C 13 25.17 0.05 . 1 . . . . . . . . 5789 1 1371 . 1 1 129 129 LYS N N 15 116.56 0.05 . 1 . . . . . . . . 5789 1 1372 . 1 1 130 130 ARG HA H 1 4.04 0.01 . 1 . . . . . . . . 5789 1 1373 . 1 1 130 130 ARG HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5789 1 1374 . 1 1 130 130 ARG HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5789 1 1375 . 1 1 130 130 ARG H H 1 7.76 0.01 . 1 . . . . . . . . 5789 1 1376 . 1 1 130 130 ARG C C 13 177.34 0.05 . 1 . . . . . . . . 5789 1 1377 . 1 1 130 130 ARG CA C 13 58.97 0.05 . 1 . . . . . . . . 5789 1 1378 . 1 1 130 130 ARG CB C 13 29.55 0.05 . 1 . . . . . . . . 5789 1 1379 . 1 1 130 130 ARG CD C 13 42.94 0.05 . 1 . . . . . . . . 5789 1 1380 . 1 1 130 130 ARG CG C 13 26.91 0.05 . 1 . . . . . . . . 5789 1 1381 . 1 1 130 130 ARG N N 15 121.15 0.05 . 1 . . . . . . . . 5789 1 1382 . 1 1 131 131 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 5789 1 1383 . 1 1 131 131 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5789 1 1384 . 1 1 131 131 LEU HD11 H 1 0.73 0.01 . 2 . . . . . . . . 5789 1 1385 . 1 1 131 131 LEU HD12 H 1 0.73 0.01 . 2 . . . . . . . . 5789 1 1386 . 1 1 131 131 LEU HD13 H 1 0.73 0.01 . 2 . . . . . . . . 5789 1 1387 . 1 1 131 131 LEU H H 1 7.85 0.01 . 1 . . . . . . . . 5789 1 1388 . 1 1 131 131 LEU C C 13 175.01 0.05 . 1 . . . . . . . . 5789 1 1389 . 1 1 131 131 LEU CA C 13 55.38 0.05 . 1 . . . . . . . . 5789 1 1390 . 1 1 131 131 LEU CB C 13 41.07 0.05 . 1 . . . . . . . . 5789 1 1391 . 1 1 131 131 LEU CD1 C 13 24.52 0.05 . 1 . . . . . . . . 5789 1 1392 . 1 1 131 131 LEU CD2 C 13 22.98 0.05 . 1 . . . . . . . . 5789 1 1393 . 1 1 131 131 LEU CG C 13 26.11 0.05 . 1 . . . . . . . . 5789 1 1394 . 1 1 131 131 LEU N N 15 113.08 0.05 . 1 . . . . . . . . 5789 1 1395 . 1 1 132 132 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 5789 1 1396 . 1 1 132 132 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1397 . 1 1 132 132 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1398 . 1 1 132 132 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5789 1 1399 . 1 1 132 132 ALA H H 1 7.17 0.01 . 1 . . . . . . . . 5789 1 1400 . 1 1 132 132 ALA C C 13 178.21 0.05 . 1 . . . . . . . . 5789 1 1401 . 1 1 132 132 ALA CA C 13 52.31 0.05 . 1 . . . . . . . . 5789 1 1402 . 1 1 132 132 ALA CB C 13 18.62 0.05 . 1 . . . . . . . . 5789 1 1403 . 1 1 132 132 ALA N N 15 117.67 0.05 . 1 . . . . . . . . 5789 1 1404 . 1 1 133 133 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 5789 1 1405 . 1 1 133 133 ASP HB2 H 1 3.14 0.01 . 2 . . . . . . . . 5789 1 1406 . 1 1 133 133 ASP HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5789 1 1407 . 1 1 133 133 ASP H H 1 7.23 0.01 . 1 . . . . . . . . 5789 1 1408 . 1 1 133 133 ASP C C 13 176.63 0.05 . 1 . . . . . . . . 5789 1 1409 . 1 1 133 133 ASP CA C 13 54.22 0.05 . 1 . . . . . . . . 5789 1 1410 . 1 1 133 133 ASP CB C 13 42.61 0.05 . 1 . . . . . . . . 5789 1 1411 . 1 1 133 133 ASP N N 15 119.57 0.05 . 1 . . . . . . . . 5789 1 1412 . 1 1 134 134 LYS HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 1413 . 1 1 134 134 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5789 1 1414 . 1 1 134 134 LYS HG2 H 1 1.64 0.01 . 2 . . . . . . . . 5789 1 1415 . 1 1 134 134 LYS H H 1 8.84 0.01 . 1 . . . . . . . . 5789 1 1416 . 1 1 134 134 LYS C C 13 179.38 0.05 . 1 . . . . . . . . 5789 1 1417 . 1 1 134 134 LYS CA C 13 59.67 0.05 . 1 . . . . . . . . 5789 1 1418 . 1 1 134 134 LYS CB C 13 32.48 0.05 . 1 . . . . . . . . 5789 1 1419 . 1 1 134 134 LYS CD C 13 29.11 0.05 . 1 . . . . . . . . 5789 1 1420 . 1 1 134 134 LYS CE C 13 42.22 0.05 . 1 . . . . . . . . 5789 1 1421 . 1 1 134 134 LYS CG C 13 25.36 0.05 . 1 . . . . . . . . 5789 1 1422 . 1 1 134 134 LYS N N 15 127.23 0.05 . 1 . . . . . . . . 5789 1 1423 . 1 1 135 135 THR HA H 1 4.00 0.01 . 1 . . . . . . . . 5789 1 1424 . 1 1 135 135 THR HB H 1 4.42 0.01 . 1 . . . . . . . . 5789 1 1425 . 1 1 135 135 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 1426 . 1 1 135 135 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 1427 . 1 1 135 135 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5789 1 1428 . 1 1 135 135 THR H H 1 8.40 0.01 . 1 . . . . . . . . 5789 1 1429 . 1 1 135 135 THR C C 13 176.56 0.05 . 1 . . . . . . . . 5789 1 1430 . 1 1 135 135 THR CA C 13 66.46 0.05 . 1 . . . . . . . . 5789 1 1431 . 1 1 135 135 THR CB C 13 67.79 0.05 . 1 . . . . . . . . 5789 1 1432 . 1 1 135 135 THR CG2 C 13 21.97 0.05 . 1 . . . . . . . . 5789 1 1433 . 1 1 135 135 THR N N 15 117.50 0.05 . 1 . . . . . . . . 5789 1 1434 . 1 1 136 136 ILE HA H 1 3.69 0.01 . 1 . . . . . . . . 5789 1 1435 . 1 1 136 136 ILE HB H 1 2.24 0.01 . 1 . . . . . . . . 5789 1 1436 . 1 1 136 136 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5789 1 1437 . 1 1 136 136 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5789 1 1438 . 1 1 136 136 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5789 1 1439 . 1 1 136 136 ILE HG12 H 1 1.53 0.01 . 2 . . . . . . . . 5789 1 1440 . 1 1 136 136 ILE HG13 H 1 1.25 0.01 . 2 . . . . . . . . 5789 1 1441 . 1 1 136 136 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5789 1 1442 . 1 1 136 136 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5789 1 1443 . 1 1 136 136 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5789 1 1444 . 1 1 136 136 ILE H H 1 8.11 0.01 . 1 . . . . . . . . 5789 1 1445 . 1 1 136 136 ILE C C 13 178.46 0.05 . 1 . . . . . . . . 5789 1 1446 . 1 1 136 136 ILE CA C 13 64.53 0.05 . 1 . . . . . . . . 5789 1 1447 . 1 1 136 136 ILE CB C 13 36.40 0.05 . 1 . . . . . . . . 5789 1 1448 . 1 1 136 136 ILE CD1 C 13 11.45 0.05 . 1 . . . . . . . . 5789 1 1449 . 1 1 136 136 ILE CG1 C 13 28.81 0.05 . 1 . . . . . . . . 5789 1 1450 . 1 1 136 136 ILE CG2 C 13 17.00 0.05 . 1 . . . . . . . . 5789 1 1451 . 1 1 136 136 ILE N N 15 124.16 0.05 . 1 . . . . . . . . 5789 1 1452 . 1 1 137 137 CYS HA H 1 3.97 0.01 . 1 . . . . . . . . 5789 1 1453 . 1 1 137 137 CYS HB2 H 1 2.85 0.01 . 2 . . . . . . . . 5789 1 1454 . 1 1 137 137 CYS H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 1455 . 1 1 137 137 CYS C C 13 176.57 0.05 . 1 . . . . . . . . 5789 1 1456 . 1 1 137 137 CYS CA C 13 65.03 0.05 . 1 . . . . . . . . 5789 1 1457 . 1 1 137 137 CYS CB C 13 26.52 0.05 . 1 . . . . . . . . 5789 1 1458 . 1 1 137 137 CYS N N 15 117.36 0.05 . 1 . . . . . . . . 5789 1 1459 . 1 1 138 138 ARG HA H 1 4.03 0.01 . 1 . . . . . . . . 5789 1 1460 . 1 1 138 138 ARG HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5789 1 1461 . 1 1 138 138 ARG HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5789 1 1462 . 1 1 138 138 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5789 1 1463 . 1 1 138 138 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 5789 1 1464 . 1 1 138 138 ARG HG2 H 1 1.70 0.01 . 1 . . . . . . . . 5789 1 1465 . 1 1 138 138 ARG HG3 H 1 1.70 0.01 . 1 . . . . . . . . 5789 1 1466 . 1 1 138 138 ARG H H 1 7.63 0.01 . 1 . . . . . . . . 5789 1 1467 . 1 1 138 138 ARG C C 13 179.53 0.05 . 1 . . . . . . . . 5789 1 1468 . 1 1 138 138 ARG CA C 13 59.74 0.05 . 1 . . . . . . . . 5789 1 1469 . 1 1 138 138 ARG CB C 13 29.91 0.05 . 1 . . . . . . . . 5789 1 1470 . 1 1 138 138 ARG CD C 13 43.45 0.05 . 1 . . . . . . . . 5789 1 1471 . 1 1 138 138 ARG CG C 13 27.37 0.05 . 1 . . . . . . . . 5789 1 1472 . 1 1 138 138 ARG N N 15 119.52 0.05 . 1 . . . . . . . . 5789 1 1473 . 1 1 139 139 ARG HA H 1 4.00 0.01 . 1 . . . . . . . . 5789 1 1474 . 1 1 139 139 ARG HB2 H 1 1.96 0.01 . 1 . . . . . . . . 5789 1 1475 . 1 1 139 139 ARG HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5789 1 1476 . 1 1 139 139 ARG HD2 H 1 3.01 0.01 . 1 . . . . . . . . 5789 1 1477 . 1 1 139 139 ARG HD3 H 1 3.01 0.01 . 1 . . . . . . . . 5789 1 1478 . 1 1 139 139 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 5789 1 1479 . 1 1 139 139 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 5789 1 1480 . 1 1 139 139 ARG H H 1 7.83 0.01 . 1 . . . . . . . . 5789 1 1481 . 1 1 139 139 ARG C C 13 179.66 0.05 . 1 . . . . . . . . 5789 1 1482 . 1 1 139 139 ARG CA C 13 59.62 0.05 . 1 . . . . . . . . 5789 1 1483 . 1 1 139 139 ARG CB C 13 30.31 0.05 . 1 . . . . . . . . 5789 1 1484 . 1 1 139 139 ARG CD C 13 43.98 0.05 . 1 . . . . . . . . 5789 1 1485 . 1 1 139 139 ARG CG C 13 27.59 0.05 . 1 . . . . . . . . 5789 1 1486 . 1 1 139 139 ARG N N 15 119.26 0.05 . 1 . . . . . . . . 5789 1 1487 . 1 1 140 140 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 5789 1 1488 . 1 1 140 140 LEU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5789 1 1489 . 1 1 140 140 LEU HB3 H 1 1.35 0.01 . 2 . . . . . . . . 5789 1 1490 . 1 1 140 140 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 5789 1 1491 . 1 1 140 140 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 5789 1 1492 . 1 1 140 140 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 5789 1 1493 . 1 1 140 140 LEU H H 1 8.78 0.01 . 1 . . . . . . . . 5789 1 1494 . 1 1 140 140 LEU C C 13 179.14 0.05 . 1 . . . . . . . . 5789 1 1495 . 1 1 140 140 LEU CA C 13 57.97 0.05 . 1 . . . . . . . . 5789 1 1496 . 1 1 140 140 LEU CB C 13 42.77 0.05 . 1 . . . . . . . . 5789 1 1497 . 1 1 140 140 LEU CG C 13 28.20 0.05 . 1 . . . . . . . . 5789 1 1498 . 1 1 140 140 LEU CD1 C 13 25.47 0.05 . 2 . . . . . . . . 5789 1 1499 . 1 1 140 140 LEU N N 15 119.58 0.05 . 1 . . . . . . . . 5789 1 1500 . 1 1 141 141 ARG HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 1501 . 1 1 141 141 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5789 1 1502 . 1 1 141 141 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5789 1 1503 . 1 1 141 141 ARG HD2 H 1 3.17 0.01 . 2 . . . . . . . . 5789 1 1504 . 1 1 141 141 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 5789 1 1505 . 1 1 141 141 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 1506 . 1 1 141 141 ARG C C 13 176.40 0.05 . 1 . . . . . . . . 5789 1 1507 . 1 1 141 141 ARG CA C 13 60.03 0.05 . 1 . . . . . . . . 5789 1 1508 . 1 1 141 141 ARG CB C 13 29.96 0.05 . 1 . . . . . . . . 5789 1 1509 . 1 1 141 141 ARG CD C 13 42.92 0.05 . 1 . . . . . . . . 5789 1 1510 . 1 1 141 141 ARG CG C 13 31.87 0.05 . 1 . . . . . . . . 5789 1 1511 . 1 1 141 141 ARG N N 15 116.23 0.05 . 1 . . . . . . . . 5789 1 1512 . 1 1 142 142 ALA HA H 1 4.42 0.01 . 1 . . . . . . . . 5789 1 1513 . 1 1 142 142 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5789 1 1514 . 1 1 142 142 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5789 1 1515 . 1 1 142 142 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5789 1 1516 . 1 1 142 142 ALA H H 1 7.33 0.01 . 1 . . . . . . . . 5789 1 1517 . 1 1 142 142 ALA C C 13 177.56 0.05 . 1 . . . . . . . . 5789 1 1518 . 1 1 142 142 ALA CA C 13 51.70 0.05 . 1 . . . . . . . . 5789 1 1519 . 1 1 142 142 ALA CB C 13 19.42 0.05 . 1 . . . . . . . . 5789 1 1520 . 1 1 142 142 ALA N N 15 119.36 0.05 . 1 . . . . . . . . 5789 1 1521 . 1 1 143 143 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 5789 1 1522 . 1 1 143 143 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5789 1 1523 . 1 1 143 143 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5789 1 1524 . 1 1 143 143 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5789 1 1525 . 1 1 143 143 ALA H H 1 7.07 0.01 . 1 . . . . . . . . 5789 1 1526 . 1 1 143 143 ALA C C 13 178.35 0.05 . 1 . . . . . . . . 5789 1 1527 . 1 1 143 143 ALA CA C 13 53.50 0.05 . 1 . . . . . . . . 5789 1 1528 . 1 1 143 143 ALA CB C 13 19.32 0.05 . 1 . . . . . . . . 5789 1 1529 . 1 1 143 143 ALA N N 15 122.51 0.05 . 1 . . . . . . . . 5789 1 1530 . 1 1 144 144 GLN HA H 1 4.46 0.01 . 1 . . . . . . . . 5789 1 1531 . 1 1 144 144 GLN HB2 H 1 2.42 0.01 . 1 . . . . . . . . 5789 1 1532 . 1 1 144 144 GLN HB3 H 1 2.42 0.01 . 1 . . . . . . . . 5789 1 1533 . 1 1 144 144 GLN HE21 H 1 7.47 0.01 . 1 . . . . . . . . 5789 1 1534 . 1 1 144 144 GLN HE22 H 1 6.76 0.01 . 1 . . . . . . . . 5789 1 1535 . 1 1 144 144 GLN HG2 H 1 2.48 0.01 . 2 . . . . . . . . 5789 1 1536 . 1 1 144 144 GLN H H 1 8.80 0.01 . 1 . . . . . . . . 5789 1 1537 . 1 1 144 144 GLN C C 13 174.82 0.05 . 1 . . . . . . . . 5789 1 1538 . 1 1 144 144 GLN CA C 13 55.25 0.05 . 1 . . . . . . . . 5789 1 1539 . 1 1 144 144 GLN CB C 13 30.99 0.05 . 1 . . . . . . . . 5789 1 1540 . 1 1 144 144 GLN CD C 13 180.74 0.05 . 1 . . . . . . . . 5789 1 1541 . 1 1 144 144 GLN CG C 13 34.03 0.05 . 1 . . . . . . . . 5789 1 1542 . 1 1 144 144 GLN N N 15 117.80 0.05 . 1 . . . . . . . . 5789 1 1543 . 1 1 144 144 GLN NE2 N 15 112.53 0.05 . 1 . . . . . . . . 5789 1 1544 . 1 1 145 145 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 5789 1 1545 . 1 1 145 145 SER HB2 H 1 4.27 0.01 . 2 . . . . . . . . 5789 1 1546 . 1 1 145 145 SER HB3 H 1 3.98 0.01 . 2 . . . . . . . . 5789 1 1547 . 1 1 145 145 SER H H 1 7.49 0.01 . 1 . . . . . . . . 5789 1 1548 . 1 1 145 145 SER C C 13 174.21 0.05 . 1 . . . . . . . . 5789 1 1549 . 1 1 145 145 SER CA C 13 56.78 0.05 . 1 . . . . . . . . 5789 1 1550 . 1 1 145 145 SER CB C 13 66.88 0.05 . 1 . . . . . . . . 5789 1 1551 . 1 1 145 145 SER N N 15 111.00 0.05 . 1 . . . . . . . . 5789 1 1552 . 1 1 146 146 ASP HA H 1 4.12 0.01 . 1 . . . . . . . . 5789 1 1553 . 1 1 146 146 ASP HB2 H 1 3.15 0.01 . 2 . . . . . . . . 5789 1 1554 . 1 1 146 146 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 5789 1 1555 . 1 1 146 146 ASP H H 1 9.02 0.01 . 1 . . . . . . . . 5789 1 1556 . 1 1 146 146 ASP C C 13 178.57 0.05 . 1 . . . . . . . . 5789 1 1557 . 1 1 146 146 ASP CA C 13 57.83 0.05 . 1 . . . . . . . . 5789 1 1558 . 1 1 146 146 ASP CB C 13 39.69 0.05 . 1 . . . . . . . . 5789 1 1559 . 1 1 146 146 ASP N N 15 123.53 0.05 . 1 . . . . . . . . 5789 1 1560 . 1 1 147 147 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 5789 1 1561 . 1 1 147 147 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5789 1 1562 . 1 1 147 147 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5789 1 1563 . 1 1 147 147 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 5789 1 1564 . 1 1 147 147 GLU H H 1 8.60 0.01 . 1 . . . . . . . . 5789 1 1565 . 1 1 147 147 GLU C C 13 178.07 0.05 . 1 . . . . . . . . 5789 1 1566 . 1 1 147 147 GLU CA C 13 59.28 0.05 . 1 . . . . . . . . 5789 1 1567 . 1 1 147 147 GLU CB C 13 29.38 0.05 . 1 . . . . . . . . 5789 1 1568 . 1 1 147 147 GLU CG C 13 35.20 0.05 . 1 . . . . . . . . 5789 1 1569 . 1 1 147 147 GLU N N 15 120.60 0.05 . 1 . . . . . . . . 5789 1 1570 . 1 1 148 148 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 5789 1 1571 . 1 1 148 148 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 5789 1 1572 . 1 1 148 148 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 5789 1 1573 . 1 1 148 148 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 5789 1 1574 . 1 1 148 148 GLU H H 1 7.75 0.01 . 1 . . . . . . . . 5789 1 1575 . 1 1 148 148 GLU C C 13 178.25 0.05 . 1 . . . . . . . . 5789 1 1576 . 1 1 148 148 GLU CA C 13 59.17 0.05 . 1 . . . . . . . . 5789 1 1577 . 1 1 148 148 GLU CB C 13 30.74 0.05 . 1 . . . . . . . . 5789 1 1578 . 1 1 148 148 GLU CG C 13 36.09 0.05 . 1 . . . . . . . . 5789 1 1579 . 1 1 148 148 GLU N N 15 120.53 0.05 . 1 . . . . . . . . 5789 1 1580 . 1 1 149 149 LEU HA H 1 3.78 0.01 . 1 . . . . . . . . 5789 1 1581 . 1 1 149 149 LEU H H 1 7.77 0.01 . 1 . . . . . . . . 5789 1 1582 . 1 1 149 149 LEU C C 13 177.58 0.05 . 1 . . . . . . . . 5789 1 1583 . 1 1 149 149 LEU CA C 13 58.20 0.05 . 1 . . . . . . . . 5789 1 1584 . 1 1 149 149 LEU CB C 13 43.13 0.05 . 1 . . . . . . . . 5789 1 1585 . 1 1 149 149 LEU CD1 C 13 26.97 0.05 . 1 . . . . . . . . 5789 1 1586 . 1 1 149 149 LEU CD2 C 13 25.41 0.05 . 1 . . . . . . . . 5789 1 1587 . 1 1 149 149 LEU CG C 13 27.91 0.05 . 1 . . . . . . . . 5789 1 1588 . 1 1 149 149 LEU N N 15 117.39 0.05 . 1 . . . . . . . . 5789 1 1589 . 1 1 150 150 TYR HA H 1 3.89 0.01 . 1 . . . . . . . . 5789 1 1590 . 1 1 150 150 TYR HB2 H 1 3.14 0.01 . 2 . . . . . . . . 5789 1 1591 . 1 1 150 150 TYR HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5789 1 1592 . 1 1 150 150 TYR HD1 H 1 6.99 0.01 . 1 . . . . . . . . 5789 1 1593 . 1 1 150 150 TYR HE1 H 1 6.55 0.01 . 1 . . . . . . . . 5789 1 1594 . 1 1 150 150 TYR H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 1595 . 1 1 150 150 TYR C C 13 178.57 0.05 . 1 . . . . . . . . 5789 1 1596 . 1 1 150 150 TYR CA C 13 62.50 0.05 . 1 . . . . . . . . 5789 1 1597 . 1 1 150 150 TYR CB C 13 38.93 0.05 . 1 . . . . . . . . 5789 1 1598 . 1 1 150 150 TYR CD1 C 13 130.04 0.05 . 1 . . . . . . . . 5789 1 1599 . 1 1 150 150 TYR CE1 C 13 115.67 0.05 . 1 . . . . . . . . 5789 1 1600 . 1 1 150 150 TYR N N 15 116.64 0.05 . 1 . . . . . . . . 5789 1 1601 . 1 1 151 151 GLN HA H 1 3.68 0.01 . 1 . . . . . . . . 5789 1 1602 . 1 1 151 151 GLN HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5789 1 1603 . 1 1 151 151 GLN HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5789 1 1604 . 1 1 151 151 GLN HE21 H 1 7.90 0.01 . 1 . . . . . . . . 5789 1 1605 . 1 1 151 151 GLN HE22 H 1 6.71 0.01 . 1 . . . . . . . . 5789 1 1606 . 1 1 151 151 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5789 1 1607 . 1 1 151 151 GLN HG3 H 1 2.70 0.01 . 2 . . . . . . . . 5789 1 1608 . 1 1 151 151 GLN H H 1 8.54 0.01 . 1 . . . . . . . . 5789 1 1609 . 1 1 151 151 GLN C C 13 177.96 0.05 . 1 . . . . . . . . 5789 1 1610 . 1 1 151 151 GLN CA C 13 59.08 0.05 . 1 . . . . . . . . 5789 1 1611 . 1 1 151 151 GLN CB C 13 28.22 0.05 . 1 . . . . . . . . 5789 1 1612 . 1 1 151 151 GLN CG C 13 33.94 0.05 . 1 . . . . . . . . 5789 1 1613 . 1 1 151 151 GLN N N 15 120.70 0.05 . 1 . . . . . . . . 5789 1 1614 . 1 1 151 151 GLN NE2 N 15 111.37 0.05 . 1 . . . . . . . . 5789 1 1615 . 1 1 152 152 ILE HA H 1 3.72 0.01 . 1 . . . . . . . . 5789 1 1616 . 1 1 152 152 ILE HB H 1 1.66 0.01 . 1 . . . . . . . . 5789 1 1617 . 1 1 152 152 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1618 . 1 1 152 152 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1619 . 1 1 152 152 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1620 . 1 1 152 152 ILE HG12 H 1 1.50 0.01 . 2 . . . . . . . . 5789 1 1621 . 1 1 152 152 ILE HG13 H 1 1.14 0.01 . 2 . . . . . . . . 5789 1 1622 . 1 1 152 152 ILE H H 1 8.02 0.01 . 1 . . . . . . . . 5789 1 1623 . 1 1 152 152 ILE C C 13 179.32 0.05 . 1 . . . . . . . . 5789 1 1624 . 1 1 152 152 ILE CA C 13 64.93 0.05 . 1 . . . . . . . . 5789 1 1625 . 1 1 152 152 ILE CB C 13 38.77 0.05 . 1 . . . . . . . . 5789 1 1626 . 1 1 152 152 ILE CD1 C 13 15.21 0.05 . 1 . . . . . . . . 5789 1 1627 . 1 1 152 152 ILE CG1 C 13 28.31 0.05 . 1 . . . . . . . . 5789 1 1628 . 1 1 152 152 ILE CG2 C 13 18.68 0.05 . 1 . . . . . . . . 5789 1 1629 . 1 1 152 152 ILE N N 15 116.93 0.05 . 1 . . . . . . . . 5789 1 1630 . 1 1 153 153 ILE HA H 1 3.79 0.01 . 1 . . . . . . . . 5789 1 1631 . 1 1 153 153 ILE HB H 1 1.40 0.01 . 1 . . . . . . . . 5789 1 1632 . 1 1 153 153 ILE HD11 H 1 0.20 0.01 . 1 . . . . . . . . 5789 1 1633 . 1 1 153 153 ILE HD12 H 1 0.20 0.01 . 1 . . . . . . . . 5789 1 1634 . 1 1 153 153 ILE HD13 H 1 0.20 0.01 . 1 . . . . . . . . 5789 1 1635 . 1 1 153 153 ILE HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5789 1 1636 . 1 1 153 153 ILE HG13 H 1 0.60 0.01 . 2 . . . . . . . . 5789 1 1637 . 1 1 153 153 ILE HG21 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1638 . 1 1 153 153 ILE HG22 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1639 . 1 1 153 153 ILE HG23 H 1 0.72 0.01 . 1 . . . . . . . . 5789 1 1640 . 1 1 153 153 ILE H H 1 7.81 0.01 . 1 . . . . . . . . 5789 1 1641 . 1 1 153 153 ILE C C 13 175.70 0.05 . 1 . . . . . . . . 5789 1 1642 . 1 1 153 153 ILE CA C 13 62.56 0.05 . 1 . . . . . . . . 5789 1 1643 . 1 1 153 153 ILE CB C 13 37.93 0.05 . 1 . . . . . . . . 5789 1 1644 . 1 1 153 153 ILE CD1 C 13 13.15 0.05 . 1 . . . . . . . . 5789 1 1645 . 1 1 153 153 ILE CG1 C 13 29.64 0.05 . 1 . . . . . . . . 5789 1 1646 . 1 1 153 153 ILE CG2 C 13 18.77 0.05 . 1 . . . . . . . . 5789 1 1647 . 1 1 153 153 ILE N N 15 117.18 0.05 . 1 . . . . . . . . 5789 1 1648 . 1 1 154 154 THR HA H 1 3.96 0.01 . 1 . . . . . . . . 5789 1 1649 . 1 1 154 154 THR HB H 1 4.18 0.01 . 1 . . . . . . . . 5789 1 1650 . 1 1 154 154 THR HG21 H 1 0.54 0.01 . 1 . . . . . . . . 5789 1 1651 . 1 1 154 154 THR HG22 H 1 0.54 0.01 . 1 . . . . . . . . 5789 1 1652 . 1 1 154 154 THR HG23 H 1 0.54 0.01 . 1 . . . . . . . . 5789 1 1653 . 1 1 154 154 THR H H 1 7.20 0.01 . 1 . . . . . . . . 5789 1 1654 . 1 1 154 154 THR C C 13 174.47 0.05 . 1 . . . . . . . . 5789 1 1655 . 1 1 154 154 THR CA C 13 62.70 0.05 . 1 . . . . . . . . 5789 1 1656 . 1 1 154 154 THR CB C 13 69.64 0.05 . 1 . . . . . . . . 5789 1 1657 . 1 1 154 154 THR CG2 C 13 21.19 0.05 . 1 . . . . . . . . 5789 1 1658 . 1 1 154 154 THR N N 15 107.30 0.05 . 1 . . . . . . . . 5789 1 1659 . 1 1 155 155 ASP HA H 1 4.60 0.01 . 1 . . . . . . . . 5789 1 1660 . 1 1 155 155 ASP HB2 H 1 2.95 0.01 . 2 . . . . . . . . 5789 1 1661 . 1 1 155 155 ASP HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5789 1 1662 . 1 1 155 155 ASP H H 1 7.38 0.01 . 1 . . . . . . . . 5789 1 1663 . 1 1 155 155 ASP C C 13 176.42 0.05 . 1 . . . . . . . . 5789 1 1664 . 1 1 155 155 ASP CA C 13 54.95 0.05 . 1 . . . . . . . . 5789 1 1665 . 1 1 155 155 ASP CB C 13 40.83 0.05 . 1 . . . . . . . . 5789 1 1666 . 1 1 155 155 ASP N N 15 122.77 0.05 . 1 . . . . . . . . 5789 1 1667 . 1 1 156 156 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 5789 1 1668 . 1 1 156 156 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 5789 1 1669 . 1 1 156 156 THR HG21 H 1 1.18 0.01 . 1 . . . . . . . . 5789 1 1670 . 1 1 156 156 THR HG22 H 1 1.18 0.01 . 1 . . . . . . . . 5789 1 1671 . 1 1 156 156 THR HG23 H 1 1.18 0.01 . 1 . . . . . . . . 5789 1 1672 . 1 1 156 156 THR H H 1 8.21 0.01 . 1 . . . . . . . . 5789 1 1673 . 1 1 156 156 THR C C 13 175.03 0.05 . 1 . . . . . . . . 5789 1 1674 . 1 1 156 156 THR CA C 13 61.78 0.05 . 1 . . . . . . . . 5789 1 1675 . 1 1 156 156 THR CB C 13 69.28 0.05 . 1 . . . . . . . . 5789 1 1676 . 1 1 156 156 THR CG2 C 13 21.67 0.05 . 1 . . . . . . . . 5789 1 1677 . 1 1 156 156 THR N N 15 113.01 0.05 . 1 . . . . . . . . 5789 1 1678 . 1 1 157 157 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5789 1 1679 . 1 1 157 157 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5789 1 1680 . 1 1 157 157 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5789 1 1681 . 1 1 157 157 GLU HG2 H 1 2.24 0.01 . 2 . . . . . . . . 5789 1 1682 . 1 1 157 157 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5789 1 1683 . 1 1 157 157 GLU C C 13 177.10 0.05 . 1 . . . . . . . . 5789 1 1684 . 1 1 157 157 GLU CA C 13 57.10 0.05 . 1 . . . . . . . . 5789 1 1685 . 1 1 157 157 GLU CB C 13 30.48 0.05 . 1 . . . . . . . . 5789 1 1686 . 1 1 157 157 GLU CG C 13 36.68 0.05 . 1 . . . . . . . . 5789 1 1687 . 1 1 157 157 GLU N N 15 122.43 0.05 . 1 . . . . . . . . 5789 1 1688 . 1 1 158 158 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 1689 . 1 1 158 158 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 5789 1 1690 . 1 1 158 158 GLY H H 1 8.33 0.01 . 1 . . . . . . . . 5789 1 1691 . 1 1 158 158 GLY C C 13 173.92 0.05 . 1 . . . . . . . . 5789 1 1692 . 1 1 158 158 GLY CA C 13 45.22 0.05 . 1 . . . . . . . . 5789 1 1693 . 1 1 158 158 GLY N N 15 109.57 0.05 . 1 . . . . . . . . 5789 1 1694 . 1 1 159 159 THR HA H 1 4.62 0.01 . 1 . . . . . . . . 5789 1 1695 . 1 1 159 159 THR HB H 1 4.17 0.01 . 1 . . . . . . . . 5789 1 1696 . 1 1 159 159 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 1697 . 1 1 159 159 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 1698 . 1 1 159 159 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 5789 1 1699 . 1 1 159 159 THR H H 1 8.08 0.01 . 1 . . . . . . . . 5789 1 1700 . 1 1 159 159 THR CA C 13 59.88 0.05 . 1 . . . . . . . . 5789 1 1701 . 1 1 159 159 THR CB C 13 69.98 0.05 . 1 . . . . . . . . 5789 1 1702 . 1 1 159 159 THR N N 15 116.09 0.05 . 1 . . . . . . . . 5789 1 1703 . 1 1 160 160 PRO HA H 1 4.45 0.01 . 1 . . . . . . . . 5789 1 1704 . 1 1 160 160 PRO HB2 H 1 2.29 0.01 . 2 . . . . . . . . 5789 1 1705 . 1 1 160 160 PRO HB3 H 1 2.25 0.01 . 2 . . . . . . . . 5789 1 1706 . 1 1 160 160 PRO HD2 H 1 3.73 0.01 . 2 . . . . . . . . 5789 1 1707 . 1 1 160 160 PRO HD3 H 1 3.81 0.01 . 2 . . . . . . . . 5789 1 1708 . 1 1 160 160 PRO HG2 H 1 1.97 0.01 . 2 . . . . . . . . 5789 1 1709 . 1 1 160 160 PRO C C 13 174.89 0.05 . 1 . . . . . . . . 5789 1 1710 . 1 1 160 160 PRO CA C 13 63.34 0.05 . 1 . . . . . . . . 5789 1 1711 . 1 1 160 160 PRO CB C 13 32.23 0.05 . 1 . . . . . . . . 5789 1 1712 . 1 1 160 160 PRO CD C 13 51.07 0.05 . 1 . . . . . . . . 5789 1 1713 . 1 1 160 160 PRO CG C 13 27.28 0.05 . 1 . . . . . . . . 5789 1 1714 . 1 1 161 161 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 5789 1 1715 . 1 1 161 161 ASP HB2 H 1 2.65 0.01 . 2 . . . . . . . . 5789 1 1716 . 1 1 161 161 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 5789 1 1717 . 1 1 161 161 ASP H H 1 8.33 0.01 . 1 . . . . . . . . 5789 1 1718 . 1 1 161 161 ASP C C 13 175.99 0.05 . 1 . . . . . . . . 5789 1 1719 . 1 1 161 161 ASP CA C 13 54.59 0.05 . 1 . . . . . . . . 5789 1 1720 . 1 1 161 161 ASP CB C 13 41.34 0.05 . 1 . . . . . . . . 5789 1 1721 . 1 1 161 161 ASP N N 15 120.46 0.05 . 1 . . . . . . . . 5789 1 1722 . 1 1 162 162 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 5789 1 1723 . 1 1 162 162 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5789 1 1724 . 1 1 162 162 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5789 1 1725 . 1 1 162 162 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5789 1 1726 . 1 1 162 162 GLU C C 13 175.01 0.05 . 1 . . . . . . . . 5789 1 1727 . 1 1 162 162 GLU CA C 13 56.38 0.05 . 1 . . . . . . . . 5789 1 1728 . 1 1 162 162 GLU CB C 13 30.63 0.05 . 1 . . . . . . . . 5789 1 1729 . 1 1 162 162 GLU CG C 13 36.30 0.05 . 1 . . . . . . . . 5789 1 1730 . 1 1 162 162 GLU N N 15 121.20 0.05 . 1 . . . . . . . . 5789 1 1731 . 1 1 163 163 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 5789 1 1732 . 1 1 163 163 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 5789 1 1733 . 1 1 163 163 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 5789 1 1734 . 1 1 163 163 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5789 1 1735 . 1 1 163 163 ALA H H 1 7.88 0.01 . 1 . . . . . . . . 5789 1 1736 . 1 1 163 163 ALA CA C 13 53.89 0.05 . 1 . . . . . . . . 5789 1 1737 . 1 1 163 163 ALA CB C 13 20.34 0.05 . 1 . . . . . . . . 5789 1 1738 . 1 1 163 163 ALA N N 15 130.74 0.05 . 1 . . . . . . . . 5789 1 stop_ save_