data_4821 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4821 _Entry.Title ; Assignment of 1H, 13C, and 15N resonances to the sensory domain of membraneous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-07 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2000-11-29 _Entry.Original_release_date 2000-11-29 _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 Tatjana Parac . N. . 4821 2 Boris Coligaev . . . 4821 3 Wolfgang Peti . . . 4821 4 Evelyne Zientz . . . 4821 5 Gottfried Unden . . . 4821 6 Christian Griesinger . . . 4821 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4821 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 950 4821 '13C chemical shifts' 559 4821 '15N chemical shifts' 140 4821 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 . . 2000-11-29 2000-09-07 original author . 4821 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4821 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C, and 15N resonances to the sensory domain of membraneous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _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 91 _Citation.Page_last 92 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tatjana Parac . N. . 4821 1 2 Boris Coligaev . . . 4821 1 3 Evelyne Zientz . . . 4821 1 4 Gottfried Unden . . . 4821 1 5 Wolfgang Peti . . . 4821 1 6 Christian Griesinger . . . 4821 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DcuS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DcuS _Assembly.Entry_ID 4821 _Assembly.ID 1 _Assembly.Name DcuS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 17400.59 _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 4821 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 DcuS 1 $DcuS . . . native . . . . . 4821 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DcuS system 4821 1 DcuS abbreviation 4821 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DcuS _Entity.Sf_category entity _Entity.Sf_framecode DcuS _Entity.Entry_ID 4821 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DcuS _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 ; MGSSHHHHHHSSGLVPRGSH MSDMTRDGLANKALAVARTL ADSPEIRQGLQKKPQESGIQ AIAEAVRKRNDLLFIVVTDM QSLRYSHPEAQRIGQPFKGD DILKALNGEENVAINRGFLA QALRVFTPIYDENHKQIGVV AIGLELSRVTQQINDSR ; _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1OJG . "Sensory Domain Of The Membraneous Two-Component Fumarate Sensor Dcus Of E. Coli" . . . . . 86.62 136 100.00 100.00 1.87e-92 . . . . 4821 1 2 no PDB 3BY8 . "Crystal Structure Of The E.Coli Dcus Sensor Domain" . . . . . 88.54 142 98.56 99.28 1.39e-93 . . . . 4821 1 3 no DBJ BAB38530 . "two-component sensor protein DcuS [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 4 no DBJ BAE78127 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 5 no DBJ BAG79947 . "two-component sensor kinase [Escherichia coli SE11]" . . . . . 88.54 543 97.12 99.28 2.74e-87 . . . . 4821 1 6 no DBJ BAI28380 . "sensory histidine kinase DcuS in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escher" . . . . . 88.54 543 97.84 99.28 9.80e-88 . . . . 4821 1 7 no DBJ BAI33564 . "sensory histidine kinase DcuS in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escher" . . . . . 88.54 543 97.84 99.28 9.80e-88 . . . . 4821 1 8 no EMBL CAP78597 . "Sensor protein dcuS [Escherichia coli LF82]" . . . . . 88.54 543 97.84 98.56 1.64e-87 . . . . 4821 1 9 no EMBL CAR01100 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 97.84 99.28 8.80e-88 . . . . 4821 1 10 no EMBL CAR05782 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 98.56 99.28 2.28e-88 . . . . 4821 1 11 no EMBL CAR10963 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 97.12 97.84 9.91e-87 . . . . 4821 1 12 no EMBL CAR15772 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 13 no GB AAA97025 . "ORF_f543 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 88.54 543 98.56 99.28 1.96e-88 . . . . 4821 1 14 no GB AAC77086 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 15 no GB AAG59324 . "putative 2-component sensor protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 16 no GB AAN45523 . "putative 2-component sensor protein [Shigella flexneri 2a str. 301]" . . . . . 88.54 543 97.84 98.56 1.57e-87 . . . . 4821 1 17 no GB AAN83553 . "Sensor protein dcuS [Escherichia coli CFT073]" . . . . . 88.54 543 97.84 98.56 1.64e-87 . . . . 4821 1 18 no REF NP_290758 . "sensory histidine kinase DcuS [Escherichia coli O157:H7 str. EDL933]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 19 no REF NP_313134 . "sensory histidine kinase DcuS [Escherichia coli O157:H7 str. Sakai]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 20 no REF NP_418549 . "sensory histidine kinase in two-component regulatory system with DcuR, regulator of anaerobic fumarate respiration [Escherichia" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 21 no REF NP_709816 . "sensory histidine kinase DcuS [Shigella flexneri 2a str. 301]" . . . . . 88.54 543 97.84 98.56 1.57e-87 . . . . 4821 1 22 no REF NP_756979 . "sensory histidine kinase DcuS [Escherichia coli CFT073]" . . . . . 88.54 543 97.84 98.56 1.64e-87 . . . . 4821 1 23 no SP P0AEC8 . "RecName: Full=Sensor histidine kinase DcuS; AltName: Full=Fumarate sensor [Escherichia coli K-12]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 24 no SP P0AEC9 . "RecName: Full=Sensor histidine kinase DcuS [Escherichia coli O157:H7]" . . . . . 88.54 543 98.56 99.28 2.12e-88 . . . . 4821 1 25 no SP P59340 . "RecName: Full=Sensor histidine kinase DcuS [Escherichia coli CFT073]" . . . . . 88.54 543 97.84 98.56 1.64e-87 . . . . 4821 1 26 no SP P59341 . "RecName: Full=Sensor histidine kinase DcuS [Shigella flexneri]" . . . . . 88.54 543 97.84 98.56 1.57e-87 . . . . 4821 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DcuS common 4821 1 DcuS abbreviation 4821 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 . 4821 1 2 . GLY . 4821 1 3 . SER . 4821 1 4 . SER . 4821 1 5 . HIS . 4821 1 6 . HIS . 4821 1 7 . HIS . 4821 1 8 . HIS . 4821 1 9 . HIS . 4821 1 10 . HIS . 4821 1 11 . SER . 4821 1 12 . SER . 4821 1 13 . GLY . 4821 1 14 . LEU . 4821 1 15 . VAL . 4821 1 16 . PRO . 4821 1 17 . ARG . 4821 1 18 . GLY . 4821 1 19 . SER . 4821 1 20 . HIS . 4821 1 21 . MET . 4821 1 22 . SER . 4821 1 23 . ASP . 4821 1 24 . MET . 4821 1 25 . THR . 4821 1 26 . ARG . 4821 1 27 . ASP . 4821 1 28 . GLY . 4821 1 29 . LEU . 4821 1 30 . ALA . 4821 1 31 . ASN . 4821 1 32 . LYS . 4821 1 33 . ALA . 4821 1 34 . LEU . 4821 1 35 . ALA . 4821 1 36 . VAL . 4821 1 37 . ALA . 4821 1 38 . ARG . 4821 1 39 . THR . 4821 1 40 . LEU . 4821 1 41 . ALA . 4821 1 42 . ASP . 4821 1 43 . SER . 4821 1 44 . PRO . 4821 1 45 . GLU . 4821 1 46 . ILE . 4821 1 47 . ARG . 4821 1 48 . GLN . 4821 1 49 . GLY . 4821 1 50 . LEU . 4821 1 51 . GLN . 4821 1 52 . LYS . 4821 1 53 . LYS . 4821 1 54 . PRO . 4821 1 55 . GLN . 4821 1 56 . GLU . 4821 1 57 . SER . 4821 1 58 . GLY . 4821 1 59 . ILE . 4821 1 60 . GLN . 4821 1 61 . ALA . 4821 1 62 . ILE . 4821 1 63 . ALA . 4821 1 64 . GLU . 4821 1 65 . ALA . 4821 1 66 . VAL . 4821 1 67 . ARG . 4821 1 68 . LYS . 4821 1 69 . ARG . 4821 1 70 . ASN . 4821 1 71 . ASP . 4821 1 72 . LEU . 4821 1 73 . LEU . 4821 1 74 . PHE . 4821 1 75 . ILE . 4821 1 76 . VAL . 4821 1 77 . VAL . 4821 1 78 . THR . 4821 1 79 . ASP . 4821 1 80 . MET . 4821 1 81 . GLN . 4821 1 82 . SER . 4821 1 83 . LEU . 4821 1 84 . ARG . 4821 1 85 . TYR . 4821 1 86 . SER . 4821 1 87 . HIS . 4821 1 88 . PRO . 4821 1 89 . GLU . 4821 1 90 . ALA . 4821 1 91 . GLN . 4821 1 92 . ARG . 4821 1 93 . ILE . 4821 1 94 . GLY . 4821 1 95 . GLN . 4821 1 96 . PRO . 4821 1 97 . PHE . 4821 1 98 . LYS . 4821 1 99 . GLY . 4821 1 100 . ASP . 4821 1 101 . ASP . 4821 1 102 . ILE . 4821 1 103 . LEU . 4821 1 104 . LYS . 4821 1 105 . ALA . 4821 1 106 . LEU . 4821 1 107 . ASN . 4821 1 108 . GLY . 4821 1 109 . GLU . 4821 1 110 . GLU . 4821 1 111 . ASN . 4821 1 112 . VAL . 4821 1 113 . ALA . 4821 1 114 . ILE . 4821 1 115 . ASN . 4821 1 116 . ARG . 4821 1 117 . GLY . 4821 1 118 . PHE . 4821 1 119 . LEU . 4821 1 120 . ALA . 4821 1 121 . GLN . 4821 1 122 . ALA . 4821 1 123 . LEU . 4821 1 124 . ARG . 4821 1 125 . VAL . 4821 1 126 . PHE . 4821 1 127 . THR . 4821 1 128 . PRO . 4821 1 129 . ILE . 4821 1 130 . TYR . 4821 1 131 . ASP . 4821 1 132 . GLU . 4821 1 133 . ASN . 4821 1 134 . HIS . 4821 1 135 . LYS . 4821 1 136 . GLN . 4821 1 137 . ILE . 4821 1 138 . GLY . 4821 1 139 . VAL . 4821 1 140 . VAL . 4821 1 141 . ALA . 4821 1 142 . ILE . 4821 1 143 . GLY . 4821 1 144 . LEU . 4821 1 145 . GLU . 4821 1 146 . LEU . 4821 1 147 . SER . 4821 1 148 . ARG . 4821 1 149 . VAL . 4821 1 150 . THR . 4821 1 151 . GLN . 4821 1 152 . GLN . 4821 1 153 . ILE . 4821 1 154 . ASN . 4821 1 155 . ASP . 4821 1 156 . SER . 4821 1 157 . ARG . 4821 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 4821 1 . GLY 2 2 4821 1 . SER 3 3 4821 1 . SER 4 4 4821 1 . HIS 5 5 4821 1 . HIS 6 6 4821 1 . HIS 7 7 4821 1 . HIS 8 8 4821 1 . HIS 9 9 4821 1 . HIS 10 10 4821 1 . SER 11 11 4821 1 . SER 12 12 4821 1 . GLY 13 13 4821 1 . LEU 14 14 4821 1 . VAL 15 15 4821 1 . PRO 16 16 4821 1 . ARG 17 17 4821 1 . GLY 18 18 4821 1 . SER 19 19 4821 1 . HIS 20 20 4821 1 . MET 21 21 4821 1 . SER 22 22 4821 1 . ASP 23 23 4821 1 . MET 24 24 4821 1 . THR 25 25 4821 1 . ARG 26 26 4821 1 . ASP 27 27 4821 1 . GLY 28 28 4821 1 . LEU 29 29 4821 1 . ALA 30 30 4821 1 . ASN 31 31 4821 1 . LYS 32 32 4821 1 . ALA 33 33 4821 1 . LEU 34 34 4821 1 . ALA 35 35 4821 1 . VAL 36 36 4821 1 . ALA 37 37 4821 1 . ARG 38 38 4821 1 . THR 39 39 4821 1 . LEU 40 40 4821 1 . ALA 41 41 4821 1 . ASP 42 42 4821 1 . SER 43 43 4821 1 . PRO 44 44 4821 1 . GLU 45 45 4821 1 . ILE 46 46 4821 1 . ARG 47 47 4821 1 . GLN 48 48 4821 1 . GLY 49 49 4821 1 . LEU 50 50 4821 1 . GLN 51 51 4821 1 . LYS 52 52 4821 1 . LYS 53 53 4821 1 . PRO 54 54 4821 1 . GLN 55 55 4821 1 . GLU 56 56 4821 1 . SER 57 57 4821 1 . GLY 58 58 4821 1 . ILE 59 59 4821 1 . GLN 60 60 4821 1 . ALA 61 61 4821 1 . ILE 62 62 4821 1 . ALA 63 63 4821 1 . GLU 64 64 4821 1 . ALA 65 65 4821 1 . VAL 66 66 4821 1 . ARG 67 67 4821 1 . LYS 68 68 4821 1 . ARG 69 69 4821 1 . ASN 70 70 4821 1 . ASP 71 71 4821 1 . LEU 72 72 4821 1 . LEU 73 73 4821 1 . PHE 74 74 4821 1 . ILE 75 75 4821 1 . VAL 76 76 4821 1 . VAL 77 77 4821 1 . THR 78 78 4821 1 . ASP 79 79 4821 1 . MET 80 80 4821 1 . GLN 81 81 4821 1 . SER 82 82 4821 1 . LEU 83 83 4821 1 . ARG 84 84 4821 1 . TYR 85 85 4821 1 . SER 86 86 4821 1 . HIS 87 87 4821 1 . PRO 88 88 4821 1 . GLU 89 89 4821 1 . ALA 90 90 4821 1 . GLN 91 91 4821 1 . ARG 92 92 4821 1 . ILE 93 93 4821 1 . GLY 94 94 4821 1 . GLN 95 95 4821 1 . PRO 96 96 4821 1 . PHE 97 97 4821 1 . LYS 98 98 4821 1 . GLY 99 99 4821 1 . ASP 100 100 4821 1 . ASP 101 101 4821 1 . ILE 102 102 4821 1 . LEU 103 103 4821 1 . LYS 104 104 4821 1 . ALA 105 105 4821 1 . LEU 106 106 4821 1 . ASN 107 107 4821 1 . GLY 108 108 4821 1 . GLU 109 109 4821 1 . GLU 110 110 4821 1 . ASN 111 111 4821 1 . VAL 112 112 4821 1 . ALA 113 113 4821 1 . ILE 114 114 4821 1 . ASN 115 115 4821 1 . ARG 116 116 4821 1 . GLY 117 117 4821 1 . PHE 118 118 4821 1 . LEU 119 119 4821 1 . ALA 120 120 4821 1 . GLN 121 121 4821 1 . ALA 122 122 4821 1 . LEU 123 123 4821 1 . ARG 124 124 4821 1 . VAL 125 125 4821 1 . PHE 126 126 4821 1 . THR 127 127 4821 1 . PRO 128 128 4821 1 . ILE 129 129 4821 1 . TYR 130 130 4821 1 . ASP 131 131 4821 1 . GLU 132 132 4821 1 . ASN 133 133 4821 1 . HIS 134 134 4821 1 . LYS 135 135 4821 1 . GLN 136 136 4821 1 . ILE 137 137 4821 1 . GLY 138 138 4821 1 . VAL 139 139 4821 1 . VAL 140 140 4821 1 . ALA 141 141 4821 1 . ILE 142 142 4821 1 . GLY 143 143 4821 1 . LEU 144 144 4821 1 . GLU 145 145 4821 1 . LEU 146 146 4821 1 . SER 147 147 4821 1 . ARG 148 148 4821 1 . VAL 149 149 4821 1 . THR 150 150 4821 1 . GLN 151 151 4821 1 . GLN 152 152 4821 1 . ILE 153 153 4821 1 . ASN 154 154 4821 1 . ASP 155 155 4821 1 . SER 156 156 4821 1 . ARG 157 157 4821 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 4821 _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 $DcuS . 562 . . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4821 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 4821 _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 $DcuS . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4821 _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 DcuS '[U-99% 13C; U-99% 15N]' . . 1 $DcuS . . 1 1 1 mM . . . . 4821 1 2 H2O . . . . . . . 90 . . % . . . . 4821 1 3 D2O . . . . . . . 10 . . % . . . . 4821 1 4 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4821 1 5 NaCl . . . . . . . 200 . . mM . . . . 4821 1 6 Glycine . . . . . . . 50 . . mM . . . . 4821 1 7 'Pefabloc SC' . . . . . . . 50 . . pM . . . . 4821 1 8 NaN3 . . . . . . . 0.01 . . % . . . . 4821 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond1 _Sample_condition_list.Entry_ID 4821 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.02 n/a 4821 1 temperature 303 0.1 K 4821 1 pressure 1 . atm 4821 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4821 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4821 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4821 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker DRX . 600 . . . 4821 1 2 NMR_spectrometer2 Bruker DRX . 800 . . . 4821 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 4821 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 2 NHCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 3 NHCOCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 5 CCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 6 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 8 HBHACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 9 '15N NOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 10 '15N HSQCNOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 1 11 '13C NOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4821 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 4821 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4821 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NHCO _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 4821 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NHCOCACB _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 4821 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4821 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CCCONH _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 4821 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4821 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4821 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHACONH _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 4821 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESYHSQC' _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 4821 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N HSQCNOESYHSQC' _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 4821 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '13C NOESYHSQC' _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 4821 _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 . . . . . . . . . 4821 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4821 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4821 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 4821 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond1 _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 . 4821 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 12 12 SER CA C 13 57.184 0.08 . 1 . . . . . . . . 4821 1 2 . 1 1 12 12 SER HA H 1 4.477 0.02 . 1 . . . . . . . . 4821 1 3 . 1 1 12 12 SER CB C 13 62.219 0.08 . 1 . . . . . . . . 4821 1 4 . 1 1 12 12 SER HB2 H 1 3.907 0.02 . 1 . . . . . . . . 4821 1 5 . 1 1 12 12 SER HB3 H 1 3.907 0.02 . 1 . . . . . . . . 4821 1 6 . 1 1 13 13 GLY N N 15 109.987 0.02 . 1 . . . . . . . . 4821 1 7 . 1 1 13 13 GLY H H 1 8.315 0.02 . 1 . . . . . . . . 4821 1 8 . 1 1 14 14 LEU CA C 13 55.966 0.08 . 1 . . . . . . . . 4821 1 9 . 1 1 14 14 LEU CB C 13 40.613 0.08 . 1 . . . . . . . . 4821 1 10 . 1 1 14 14 LEU CG C 13 23.484 0.08 . 1 . . . . . . . . 4821 1 11 . 1 1 15 15 VAL N N 15 113.796 0.02 . 1 . . . . . . . . 4821 1 12 . 1 1 15 15 VAL H H 1 8.587 0.02 . 1 . . . . . . . . 4821 1 13 . 1 1 16 16 PRO CD C 13 49.389 0.08 . 1 . . . . . . . . 4821 1 14 . 1 1 16 16 PRO CA C 13 61.529 0.08 . 1 . . . . . . . . 4821 1 15 . 1 1 16 16 PRO HA H 1 4.327 0.02 . 1 . . . . . . . . 4821 1 16 . 1 1 16 16 PRO CB C 13 30.305 0.08 . 1 . . . . . . . . 4821 1 17 . 1 1 16 16 PRO HB2 H 1 2.218 0.02 . 1 . . . . . . . . 4821 1 18 . 1 1 16 16 PRO HB3 H 1 1.831 0.02 . 1 . . . . . . . . 4821 1 19 . 1 1 16 16 PRO CG C 13 25.839 0.08 . 1 . . . . . . . . 4821 1 20 . 1 1 17 17 ARG N N 15 121.960 0.02 . 1 . . . . . . . . 4821 1 21 . 1 1 17 17 ARG H H 1 8.385 0.02 . 1 . . . . . . . . 4821 1 22 . 1 1 17 17 ARG CA C 13 54.829 0.08 . 1 . . . . . . . . 4821 1 23 . 1 1 17 17 ARG CB C 13 29.087 0.08 . 1 . . . . . . . . 4821 1 24 . 1 1 17 17 ARG CG C 13 25.869 0.08 . 1 . . . . . . . . 4821 1 25 . 1 1 17 17 ARG CD C 13 41.806 0.08 . 1 . . . . . . . . 4821 1 26 . 1 1 18 18 GLY N N 15 109.856 0.02 . 1 . . . . . . . . 4821 1 27 . 1 1 18 18 GLY H H 1 8.433 0.02 . 1 . . . . . . . . 4821 1 28 . 1 1 18 18 GLY CA C 13 43.343 0.08 . 1 . . . . . . . . 4821 1 29 . 1 1 20 20 HIS N N 15 121.540 0.02 . 1 . . . . . . . . 4821 1 30 . 1 1 20 20 HIS H H 1 7.970 0.02 . 1 . . . . . . . . 4821 1 31 . 1 1 20 20 HIS CA C 13 57.554 0.08 . 1 . . . . . . . . 4821 1 32 . 1 1 20 20 HIS CB C 13 30.432 0.08 . 1 . . . . . . . . 4821 1 33 . 1 1 22 22 SER CA C 13 57.103 0.08 . 1 . . . . . . . . 4821 1 34 . 1 1 22 22 SER HA H 1 4.400 0.02 . 1 . . . . . . . . 4821 1 35 . 1 1 22 22 SER CB C 13 62.219 0.08 . 1 . . . . . . . . 4821 1 36 . 1 1 22 22 SER HB2 H 1 3.973 0.02 . 1 . . . . . . . . 4821 1 37 . 1 1 22 22 SER HB3 H 1 3.973 0.02 . 1 . . . . . . . . 4821 1 38 . 1 1 22 22 SER C C 13 174.864 0.08 . 1 . . . . . . . . 4821 1 39 . 1 1 23 23 ASP N N 15 122.290 0.02 . 1 . . . . . . . . 4821 1 40 . 1 1 23 23 ASP H H 1 8.392 0.02 . 1 . . . . . . . . 4821 1 41 . 1 1 23 23 ASP CA C 13 54.017 0.08 . 1 . . . . . . . . 4821 1 42 . 1 1 23 23 ASP HA H 1 4.492 0.02 . 1 . . . . . . . . 4821 1 43 . 1 1 23 23 ASP CB C 13 39.238 0.08 . 1 . . . . . . . . 4821 1 44 . 1 1 23 23 ASP HB2 H 1 2.668 0.02 . 1 . . . . . . . . 4821 1 45 . 1 1 23 23 ASP HB3 H 1 2.668 0.02 . 1 . . . . . . . . 4821 1 46 . 1 1 23 23 ASP C C 13 175.317 0.08 . 1 . . . . . . . . 4821 1 47 . 1 1 24 24 MET N N 15 120.295 0.02 . 1 . . . . . . . . 4821 1 48 . 1 1 24 24 MET H H 1 8.303 0.02 . 1 . . . . . . . . 4821 1 49 . 1 1 24 24 MET CA C 13 54.992 0.08 . 1 . . . . . . . . 4821 1 50 . 1 1 24 24 MET HA H 1 4.449 0.02 . 1 . . . . . . . . 4821 1 51 . 1 1 24 24 MET CB C 13 30.792 0.08 . 1 . . . . . . . . 4821 1 52 . 1 1 24 24 MET HB2 H 1 2.561 0.02 . 1 . . . . . . . . 4821 1 53 . 1 1 24 24 MET HB3 H 1 2.057 0.02 . 1 . . . . . . . . 4821 1 54 . 1 1 24 24 MET HG2 H 1 2.521 0.02 . 1 . . . . . . . . 4821 1 55 . 1 1 24 24 MET HG3 H 1 2.521 0.02 . 1 . . . . . . . . 4821 1 56 . 1 1 24 24 MET HE1 H 1 1.139 0.02 . 1 . . . . . . . . 4821 1 57 . 1 1 24 24 MET HE2 H 1 1.139 0.02 . 1 . . . . . . . . 4821 1 58 . 1 1 24 24 MET HE3 H 1 1.139 0.02 . 1 . . . . . . . . 4821 1 59 . 1 1 24 24 MET C C 13 175.928 0.08 . 1 . . . . . . . . 4821 1 60 . 1 1 25 25 THR N N 15 113.948 0.02 . 1 . . . . . . . . 4821 1 61 . 1 1 25 25 THR H H 1 8.019 0.02 . 1 . . . . . . . . 4821 1 62 . 1 1 25 25 THR CA C 13 61.569 0.08 . 1 . . . . . . . . 4821 1 63 . 1 1 25 25 THR HA H 1 4.377 0.02 . 1 . . . . . . . . 4821 1 64 . 1 1 25 25 THR CB C 13 68.310 0.08 . 1 . . . . . . . . 4821 1 65 . 1 1 25 25 THR HB H 1 3.941 0.02 . 1 . . . . . . . . 4821 1 66 . 1 1 25 25 THR HG21 H 1 1.235 0.02 . 1 . . . . . . . . 4821 1 67 . 1 1 25 25 THR HG22 H 1 1.235 0.02 . 1 . . . . . . . . 4821 1 68 . 1 1 25 25 THR HG23 H 1 1.235 0.02 . 1 . . . . . . . . 4821 1 69 . 1 1 25 25 THR CG2 C 13 25.809 0.08 . 1 . . . . . . . . 4821 1 70 . 1 1 25 25 THR C C 13 173.959 0.08 . 1 . . . . . . . . 4821 1 71 . 1 1 26 26 ARG N N 15 122.778 0.02 . 1 . . . . . . . . 4821 1 72 . 1 1 26 26 ARG H H 1 8.497 0.02 . 1 . . . . . . . . 4821 1 73 . 1 1 26 26 ARG CA C 13 57.266 0.08 . 1 . . . . . . . . 4821 1 74 . 1 1 26 26 ARG HA H 1 3.902 0.02 . 1 . . . . . . . . 4821 1 75 . 1 1 26 26 ARG CB C 13 28.519 0.08 . 1 . . . . . . . . 4821 1 76 . 1 1 26 26 ARG HB2 H 1 1.842 0.02 . 1 . . . . . . . . 4821 1 77 . 1 1 26 26 ARG HB3 H 1 1.842 0.02 . 1 . . . . . . . . 4821 1 78 . 1 1 26 26 ARG CG C 13 25.758 0.08 . 1 . . . . . . . . 4821 1 79 . 1 1 26 26 ARG HG2 H 1 1.537 0.02 . 2 . . . . . . . . 4821 1 80 . 1 1 26 26 ARG HG3 H 1 1.551 0.02 . 2 . . . . . . . . 4821 1 81 . 1 1 26 26 ARG CD C 13 41.836 0.08 . 1 . . . . . . . . 4821 1 82 . 1 1 26 26 ARG HD2 H 1 3.134 0.02 . 2 . . . . . . . . 4821 1 83 . 1 1 26 26 ARG HD3 H 1 3.164 0.02 . 2 . . . . . . . . 4821 1 84 . 1 1 26 26 ARG C C 13 175.770 0.08 . 1 . . . . . . . . 4821 1 85 . 1 1 27 27 ASP N N 15 118.564 0.02 . 1 . . . . . . . . 4821 1 86 . 1 1 27 27 ASP H H 1 8.392 0.02 . 1 . . . . . . . . 4821 1 87 . 1 1 27 27 ASP CA C 13 54.586 0.08 . 1 . . . . . . . . 4821 1 88 . 1 1 27 27 ASP HA H 1 4.422 0.02 . 1 . . . . . . . . 4821 1 89 . 1 1 27 27 ASP CB C 13 39.319 0.08 . 1 . . . . . . . . 4821 1 90 . 1 1 27 27 ASP HB2 H 1 2.638 0.02 . 1 . . . . . . . . 4821 1 91 . 1 1 27 27 ASP HB3 H 1 2.638 0.02 . 1 . . . . . . . . 4821 1 92 . 1 1 27 27 ASP C C 13 176.619 0.08 . 1 . . . . . . . . 4821 1 93 . 1 1 28 28 GLY N N 15 108.391 0.02 . 1 . . . . . . . . 4821 1 94 . 1 1 28 28 GLY H H 1 8.154 0.02 . 1 . . . . . . . . 4821 1 95 . 1 1 28 28 GLY CA C 13 45.328 0.08 . 1 . . . . . . . . 4821 1 96 . 1 1 28 28 GLY HA2 H 1 3.827 0.02 . 1 . . . . . . . . 4821 1 97 . 1 1 28 28 GLY HA3 H 1 3.966 0.02 . 1 . . . . . . . . 4821 1 98 . 1 1 28 28 GLY C C 13 175.430 0.08 . 1 . . . . . . . . 4821 1 99 . 1 1 29 29 LEU N N 15 123.561 0.02 . 1 . . . . . . . . 4821 1 100 . 1 1 29 29 LEU H H 1 8.210 0.02 . 1 . . . . . . . . 4821 1 101 . 1 1 29 29 LEU CA C 13 56.210 0.08 . 1 . . . . . . . . 4821 1 102 . 1 1 29 29 LEU HA H 1 4.041 0.02 . 1 . . . . . . . . 4821 1 103 . 1 1 29 29 LEU CB C 13 40.375 0.08 . 1 . . . . . . . . 4821 1 104 . 1 1 29 29 LEU HB2 H 1 1.746 0.02 . 1 . . . . . . . . 4821 1 105 . 1 1 29 29 LEU HB3 H 1 1.746 0.02 . 1 . . . . . . . . 4821 1 106 . 1 1 29 29 LEU CG C 13 24.377 0.08 . 1 . . . . . . . . 4821 1 107 . 1 1 29 29 LEU HG H 1 1.317 0.02 . 1 . . . . . . . . 4821 1 108 . 1 1 29 29 LEU HD11 H 1 0.827 0.02 . 2 . . . . . . . . 4821 1 109 . 1 1 29 29 LEU HD12 H 1 0.827 0.02 . 2 . . . . . . . . 4821 1 110 . 1 1 29 29 LEU HD13 H 1 0.827 0.02 . 2 . . . . . . . . 4821 1 111 . 1 1 29 29 LEU HD21 H 1 0.806 0.02 . 2 . . . . . . . . 4821 1 112 . 1 1 29 29 LEU HD22 H 1 0.806 0.02 . 2 . . . . . . . . 4821 1 113 . 1 1 29 29 LEU HD23 H 1 0.806 0.02 . 2 . . . . . . . . 4821 1 114 . 1 1 29 29 LEU CD1 C 13 21.616 0.08 . 1 . . . . . . . . 4821 1 115 . 1 1 29 29 LEU CD2 C 13 21.907 0.08 . 1 . . . . . . . . 4821 1 116 . 1 1 29 29 LEU C C 13 177.637 0.08 . 1 . . . . . . . . 4821 1 117 . 1 1 30 30 ALA N N 15 121.543 0.02 . 1 . . . . . . . . 4821 1 118 . 1 1 30 30 ALA H H 1 8.568 0.02 . 1 . . . . . . . . 4821 1 119 . 1 1 30 30 ALA CA C 13 53.774 0.08 . 1 . . . . . . . . 4821 1 120 . 1 1 30 30 ALA HA H 1 3.966 0.02 . 1 . . . . . . . . 4821 1 121 . 1 1 30 30 ALA HB1 H 1 1.434 0.02 . 1 . . . . . . . . 4821 1 122 . 1 1 30 30 ALA HB2 H 1 1.434 0.02 . 1 . . . . . . . . 4821 1 123 . 1 1 30 30 ALA HB3 H 1 1.434 0.02 . 1 . . . . . . . . 4821 1 124 . 1 1 30 30 ALA CB C 13 16.744 0.08 . 1 . . . . . . . . 4821 1 125 . 1 1 30 30 ALA C C 13 177.751 0.08 . 1 . . . . . . . . 4821 1 126 . 1 1 31 31 ASN N N 15 115.768 0.02 . 1 . . . . . . . . 4821 1 127 . 1 1 31 31 ASN H H 1 8.195 0.02 . 1 . . . . . . . . 4821 1 128 . 1 1 31 31 ASN CA C 13 54.667 0.08 . 1 . . . . . . . . 4821 1 129 . 1 1 31 31 ASN HA H 1 4.438 0.02 . 1 . . . . . . . . 4821 1 130 . 1 1 31 31 ASN CB C 13 36.477 0.08 . 1 . . . . . . . . 4821 1 131 . 1 1 31 31 ASN HB2 H 1 2.893 0.02 . 1 . . . . . . . . 4821 1 132 . 1 1 31 31 ASN HB3 H 1 2.722 0.02 . 1 . . . . . . . . 4821 1 133 . 1 1 31 31 ASN ND2 N 15 113.083 0.02 . 1 . . . . . . . . 4821 1 134 . 1 1 31 31 ASN HD21 H 1 7.523 0.02 . 1 . . . . . . . . 4821 1 135 . 1 1 31 31 ASN HD22 H 1 6.918 0.02 . 1 . . . . . . . . 4821 1 136 . 1 1 31 31 ASN C C 13 177.015 0.08 . 1 . . . . . . . . 4821 1 137 . 1 1 32 32 LYS N N 15 122.372 0.02 . 1 . . . . . . . . 4821 1 138 . 1 1 32 32 LYS H H 1 7.791 0.02 . 1 . . . . . . . . 4821 1 139 . 1 1 32 32 LYS CA C 13 57.854 0.08 . 1 . . . . . . . . 4821 1 140 . 1 1 32 32 LYS HA H 1 4.309 0.02 . 1 . . . . . . . . 4821 1 141 . 1 1 32 32 LYS CB C 13 30.711 0.08 . 1 . . . . . . . . 4821 1 142 . 1 1 32 32 LYS HB2 H 1 1.531 0.02 . 1 . . . . . . . . 4821 1 143 . 1 1 32 32 LYS HB3 H 1 1.531 0.02 . 1 . . . . . . . . 4821 1 144 . 1 1 32 32 LYS CG C 13 23.240 0.08 . 1 . . . . . . . . 4821 1 145 . 1 1 32 32 LYS HG2 H 1 1.410 0.02 . 1 . . . . . . . . 4821 1 146 . 1 1 32 32 LYS HG3 H 1 1.410 0.02 . 1 . . . . . . . . 4821 1 147 . 1 1 32 32 LYS CD C 13 25.352 0.08 . 1 . . . . . . . . 4821 1 148 . 1 1 32 32 LYS HD2 H 1 1.601 0.02 . 2 . . . . . . . . 4821 1 149 . 1 1 32 32 LYS HD3 H 1 1.629 0.02 . 2 . . . . . . . . 4821 1 150 . 1 1 32 32 LYS CE C 13 40.700 0.08 . 1 . . . . . . . . 4821 1 151 . 1 1 32 32 LYS HE2 H 1 2.351 0.02 . 2 . . . . . . . . 4821 1 152 . 1 1 32 32 LYS HE3 H 1 2.353 0.02 . 2 . . . . . . . . 4821 1 153 . 1 1 32 32 LYS C C 13 172.346 0.08 . 1 . . . . . . . . 4821 1 154 . 1 1 33 33 ALA N N 15 122.091 0.02 . 1 . . . . . . . . 4821 1 155 . 1 1 33 33 ALA H H 1 8.046 0.02 . 1 . . . . . . . . 4821 1 156 . 1 1 33 33 ALA CA C 13 53.692 0.08 . 1 . . . . . . . . 4821 1 157 . 1 1 33 33 ALA HA H 1 3.891 0.02 . 1 . . . . . . . . 4821 1 158 . 1 1 33 33 ALA HB1 H 1 1.231 0.02 . 1 . . . . . . . . 4821 1 159 . 1 1 33 33 ALA HB2 H 1 1.231 0.02 . 1 . . . . . . . . 4821 1 160 . 1 1 33 33 ALA HB3 H 1 1.231 0.02 . 1 . . . . . . . . 4821 1 161 . 1 1 33 33 ALA CB C 13 16.581 0.08 . 1 . . . . . . . . 4821 1 162 . 1 1 33 33 ALA C C 13 177.977 0.08 . 1 . . . . . . . . 4821 1 163 . 1 1 34 34 LEU N N 15 120.498 0.02 . 1 . . . . . . . . 4821 1 164 . 1 1 34 34 LEU H H 1 8.890 0.02 . 1 . . . . . . . . 4821 1 165 . 1 1 34 34 LEU CA C 13 56.291 0.08 . 1 . . . . . . . . 4821 1 166 . 1 1 34 34 LEU HA H 1 3.795 0.02 . 1 . . . . . . . . 4821 1 167 . 1 1 34 34 LEU CB C 13 40.375 0.08 . 1 . . . . . . . . 4821 1 168 . 1 1 34 34 LEU HB2 H 1 1.349 0.02 . 1 . . . . . . . . 4821 1 169 . 1 1 34 34 LEU HB3 H 1 1.842 0.02 . 1 . . . . . . . . 4821 1 170 . 1 1 34 34 LEU CG C 13 26.000 0.08 . 1 . . . . . . . . 4821 1 171 . 1 1 34 34 LEU HG H 1 1.367 0.02 . 1 . . . . . . . . 4821 1 172 . 1 1 34 34 LEU HD11 H 1 0.636 0.02 . 2 . . . . . . . . 4821 1 173 . 1 1 34 34 LEU HD12 H 1 0.636 0.02 . 2 . . . . . . . . 4821 1 174 . 1 1 34 34 LEU HD13 H 1 0.636 0.02 . 2 . . . . . . . . 4821 1 175 . 1 1 34 34 LEU HD21 H 1 0.826 0.02 . 2 . . . . . . . . 4821 1 176 . 1 1 34 34 LEU HD22 H 1 0.826 0.02 . 2 . . . . . . . . 4821 1 177 . 1 1 34 34 LEU HD23 H 1 0.826 0.02 . 2 . . . . . . . . 4821 1 178 . 1 1 34 34 LEU CD1 C 13 22.272 0.08 . 1 . . . . . . . . 4821 1 179 . 1 1 34 34 LEU CD2 C 13 22.491 0.08 . 1 . . . . . . . . 4821 1 180 . 1 1 34 34 LEU C C 13 176.987 0.08 . 1 . . . . . . . . 4821 1 181 . 1 1 35 35 ALA N N 15 121.628 0.02 . 1 . . . . . . . . 4821 1 182 . 1 1 35 35 ALA H H 1 7.713 0.02 . 1 . . . . . . . . 4821 1 183 . 1 1 35 35 ALA CA C 13 53.936 0.08 . 1 . . . . . . . . 4821 1 184 . 1 1 35 35 ALA HA H 1 4.084 0.02 . 1 . . . . . . . . 4821 1 185 . 1 1 35 35 ALA HB1 H 1 1.488 0.02 . 1 . . . . . . . . 4821 1 186 . 1 1 35 35 ALA HB2 H 1 1.488 0.02 . 1 . . . . . . . . 4821 1 187 . 1 1 35 35 ALA HB3 H 1 1.488 0.02 . 1 . . . . . . . . 4821 1 188 . 1 1 35 35 ALA CB C 13 15.932 0.08 . 1 . . . . . . . . 4821 1 189 . 1 1 35 35 ALA C C 13 179.590 0.08 . 1 . . . . . . . . 4821 1 190 . 1 1 36 36 VAL N N 15 119.517 0.02 . 1 . . . . . . . . 4821 1 191 . 1 1 36 36 VAL H H 1 7.306 0.02 . 1 . . . . . . . . 4821 1 192 . 1 1 36 36 VAL CA C 13 64.412 0.08 . 1 . . . . . . . . 4821 1 193 . 1 1 36 36 VAL HA H 1 3.537 0.02 . 1 . . . . . . . . 4821 1 194 . 1 1 36 36 VAL CB C 13 29.737 0.08 . 1 . . . . . . . . 4821 1 195 . 1 1 36 36 VAL HB H 1 2.057 0.02 . 1 . . . . . . . . 4821 1 196 . 1 1 36 36 VAL HG11 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 197 . 1 1 36 36 VAL HG12 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 198 . 1 1 36 36 VAL HG13 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 199 . 1 1 36 36 VAL HG21 H 1 0.661 0.02 . 2 . . . . . . . . 4821 1 200 . 1 1 36 36 VAL HG22 H 1 0.661 0.02 . 2 . . . . . . . . 4821 1 201 . 1 1 36 36 VAL HG23 H 1 0.661 0.02 . 2 . . . . . . . . 4821 1 202 . 1 1 36 36 VAL CG1 C 13 19.860 0.08 . 1 . . . . . . . . 4821 1 203 . 1 1 36 36 VAL CG2 C 13 20.591 0.08 . 1 . . . . . . . . 4821 1 204 . 1 1 36 36 VAL C C 13 176.675 0.08 . 1 . . . . . . . . 4821 1 205 . 1 1 37 37 ALA N N 15 123.745 0.02 . 1 . . . . . . . . 4821 1 206 . 1 1 37 37 ALA H H 1 8.317 0.02 . 1 . . . . . . . . 4821 1 207 . 1 1 37 37 ALA CA C 13 53.900 0.08 . 1 . . . . . . . . 4821 1 208 . 1 1 37 37 ALA HA H 1 3.698 0.02 . 1 . . . . . . . . 4821 1 209 . 1 1 37 37 ALA HB1 H 1 1.283 0.02 . 1 . . . . . . . . 4821 1 210 . 1 1 37 37 ALA HB2 H 1 1.283 0.02 . 1 . . . . . . . . 4821 1 211 . 1 1 37 37 ALA HB3 H 1 1.283 0.02 . 1 . . . . . . . . 4821 1 212 . 1 1 37 37 ALA CB C 13 15.932 0.08 . 1 . . . . . . . . 4821 1 213 . 1 1 37 37 ALA C C 13 177.241 0.08 . 1 . . . . . . . . 4821 1 214 . 1 1 38 38 ARG N N 15 116.978 0.02 . 1 . . . . . . . . 4821 1 215 . 1 1 38 38 ARG H H 1 8.957 0.02 . 1 . . . . . . . . 4821 1 216 . 1 1 38 38 ARG CA C 13 57.996 0.08 . 1 . . . . . . . . 4821 1 217 . 1 1 38 38 ARG HA H 1 3.875 0.02 . 1 . . . . . . . . 4821 1 218 . 1 1 38 38 ARG CB C 13 29.412 0.08 . 1 . . . . . . . . 4821 1 219 . 1 1 38 38 ARG HB2 H 1 1.731 0.02 . 1 . . . . . . . . 4821 1 220 . 1 1 38 38 ARG HB3 H 1 1.731 0.02 . 1 . . . . . . . . 4821 1 221 . 1 1 38 38 ARG HG2 H 1 1.501 0.02 . 1 . . . . . . . . 4821 1 222 . 1 1 38 38 ARG HG3 H 1 1.501 0.02 . 1 . . . . . . . . 4821 1 223 . 1 1 38 38 ARG CD C 13 42.730 0.08 . 1 . . . . . . . . 4821 1 224 . 1 1 38 38 ARG HD2 H 1 4.278 0.02 . 1 . . . . . . . . 4821 1 225 . 1 1 38 38 ARG HD3 H 1 4.278 0.02 . 1 . . . . . . . . 4821 1 226 . 1 1 38 38 ARG C C 13 177.524 0.08 . 1 . . . . . . . . 4821 1 227 . 1 1 39 39 THR N N 15 115.909 0.02 . 1 . . . . . . . . 4821 1 228 . 1 1 39 39 THR H H 1 7.665 0.02 . 1 . . . . . . . . 4821 1 229 . 1 1 39 39 THR CA C 13 65.061 0.08 . 1 . . . . . . . . 4821 1 230 . 1 1 39 39 THR HA H 1 4.277 0.02 . 1 . . . . . . . . 4821 1 231 . 1 1 39 39 THR CB C 13 67.497 0.08 . 1 . . . . . . . . 4821 1 232 . 1 1 39 39 THR HB H 1 3.977 0.02 . 1 . . . . . . . . 4821 1 233 . 1 1 39 39 THR HG21 H 1 1.256 0.02 . 1 . . . . . . . . 4821 1 234 . 1 1 39 39 THR HG22 H 1 1.256 0.02 . 1 . . . . . . . . 4821 1 235 . 1 1 39 39 THR HG23 H 1 1.256 0.02 . 1 . . . . . . . . 4821 1 236 . 1 1 39 39 THR CG2 C 13 19.933 0.08 . 1 . . . . . . . . 4821 1 237 . 1 1 39 39 THR C C 13 176.053 0.08 . 1 . . . . . . . . 4821 1 238 . 1 1 40 40 LEU N N 15 123.419 0.02 . 1 . . . . . . . . 4821 1 239 . 1 1 40 40 LEU H H 1 7.863 0.02 . 1 . . . . . . . . 4821 1 240 . 1 1 40 40 LEU CA C 13 56.291 0.08 . 1 . . . . . . . . 4821 1 241 . 1 1 40 40 LEU HA H 1 4.061 0.02 . 1 . . . . . . . . 4821 1 242 . 1 1 40 40 LEU CB C 13 40.513 0.08 . 1 . . . . . . . . 4821 1 243 . 1 1 40 40 LEU HB2 H 1 1.821 0.02 . 1 . . . . . . . . 4821 1 244 . 1 1 40 40 LEU HB3 H 1 1.335 0.02 . 1 . . . . . . . . 4821 1 245 . 1 1 40 40 LEU CG C 13 24.551 0.08 . 1 . . . . . . . . 4821 1 246 . 1 1 40 40 LEU HG H 1 1.680 0.02 . 1 . . . . . . . . 4821 1 247 . 1 1 40 40 LEU HD11 H 1 0.800 0.02 . 2 . . . . . . . . 4821 1 248 . 1 1 40 40 LEU HD12 H 1 0.800 0.02 . 2 . . . . . . . . 4821 1 249 . 1 1 40 40 LEU HD13 H 1 0.800 0.02 . 2 . . . . . . . . 4821 1 250 . 1 1 40 40 LEU HD21 H 1 0.982 0.02 . 2 . . . . . . . . 4821 1 251 . 1 1 40 40 LEU HD22 H 1 0.982 0.02 . 2 . . . . . . . . 4821 1 252 . 1 1 40 40 LEU HD23 H 1 0.982 0.02 . 2 . . . . . . . . 4821 1 253 . 1 1 40 40 LEU CD1 C 13 22.570 0.08 . 1 . . . . . . . . 4821 1 254 . 1 1 40 40 LEU CD2 C 13 22.716 0.08 . 1 . . . . . . . . 4821 1 255 . 1 1 40 40 LEU C C 13 177.100 0.08 . 1 . . . . . . . . 4821 1 256 . 1 1 41 41 ALA N N 15 119.869 0.02 . 1 . . . . . . . . 4821 1 257 . 1 1 41 41 ALA H H 1 8.408 0.02 . 1 . . . . . . . . 4821 1 258 . 1 1 41 41 ALA CA C 13 53.043 0.08 . 1 . . . . . . . . 4821 1 259 . 1 1 41 41 ALA HA H 1 3.787 0.02 . 1 . . . . . . . . 4821 1 260 . 1 1 41 41 ALA HB1 H 1 1.466 0.02 . 1 . . . . . . . . 4821 1 261 . 1 1 41 41 ALA HB2 H 1 1.466 0.02 . 1 . . . . . . . . 4821 1 262 . 1 1 41 41 ALA HB3 H 1 1.466 0.02 . 1 . . . . . . . . 4821 1 263 . 1 1 41 41 ALA CB C 13 17.393 0.08 . 1 . . . . . . . . 4821 1 264 . 1 1 41 41 ALA C C 13 176.138 0.08 . 1 . . . . . . . . 4821 1 265 . 1 1 42 42 ASP N N 15 115.912 0.02 . 1 . . . . . . . . 4821 1 266 . 1 1 42 42 ASP H H 1 7.237 0.02 . 1 . . . . . . . . 4821 1 267 . 1 1 42 42 ASP CA C 13 51.662 0.08 . 1 . . . . . . . . 4821 1 268 . 1 1 42 42 ASP HA H 1 4.925 0.02 . 1 . . . . . . . . 4821 1 269 . 1 1 42 42 ASP CB C 13 40.293 0.08 . 1 . . . . . . . . 4821 1 270 . 1 1 42 42 ASP HB2 H 1 2.813 0.02 . 1 . . . . . . . . 4821 1 271 . 1 1 42 42 ASP HB3 H 1 2.594 0.02 . 1 . . . . . . . . 4821 1 272 . 1 1 42 42 ASP C C 13 174.695 0.08 . 1 . . . . . . . . 4821 1 273 . 1 1 43 43 SER N N 15 116.998 0.02 . 1 . . . . . . . . 4821 1 274 . 1 1 43 43 SER H H 1 7.579 0.02 . 1 . . . . . . . . 4821 1 275 . 1 1 43 43 SER CA C 13 53.900 0.08 . 1 . . . . . . . . 4821 1 276 . 1 1 43 43 SER HA H 1 4.891 0.02 . 1 . . . . . . . . 4821 1 277 . 1 1 43 43 SER CB C 13 61.695 0.08 . 1 . . . . . . . . 4821 1 278 . 1 1 43 43 SER HB2 H 1 4.171 0.02 . 2 . . . . . . . . 4821 1 279 . 1 1 43 43 SER HB3 H 1 4.203 0.02 . 2 . . . . . . . . 4821 1 280 . 1 1 44 44 PRO CD C 13 49.632 0.08 . 1 . . . . . . . . 4821 1 281 . 1 1 44 44 PRO CA C 13 63.437 0.08 . 1 . . . . . . . . 4821 1 282 . 1 1 44 44 PRO HA H 1 4.245 0.02 . 1 . . . . . . . . 4821 1 283 . 1 1 44 44 PRO CB C 13 30.386 0.08 . 1 . . . . . . . . 4821 1 284 . 1 1 44 44 PRO HB2 H 1 1.972 0.02 . 1 . . . . . . . . 4821 1 285 . 1 1 44 44 PRO HB3 H 1 2.366 0.02 . 1 . . . . . . . . 4821 1 286 . 1 1 44 44 PRO CG C 13 26.245 0.08 . 1 . . . . . . . . 4821 1 287 . 1 1 44 44 PRO HG2 H 1 2.125 0.02 . 1 . . . . . . . . 4821 1 288 . 1 1 44 44 PRO HG3 H 1 2.125 0.02 . 1 . . . . . . . . 4821 1 289 . 1 1 44 44 PRO C C 13 177.128 0.08 . 1 . . . . . . . . 4821 1 290 . 1 1 45 45 GLU N N 15 116.682 0.02 . 1 . . . . . . . . 4821 1 291 . 1 1 45 45 GLU H H 1 8.785 0.02 . 1 . . . . . . . . 4821 1 292 . 1 1 45 45 GLU CA C 13 58.484 0.08 . 1 . . . . . . . . 4821 1 293 . 1 1 45 45 GLU HA H 1 3.978 0.02 . 1 . . . . . . . . 4821 1 294 . 1 1 45 45 GLU CB C 13 27.707 0.08 . 1 . . . . . . . . 4821 1 295 . 1 1 45 45 GLU HB2 H 1 1.885 0.02 . 1 . . . . . . . . 4821 1 296 . 1 1 45 45 GLU HB3 H 1 1.885 0.02 . 1 . . . . . . . . 4821 1 297 . 1 1 45 45 GLU CG C 13 35.502 0.08 . 1 . . . . . . . . 4821 1 298 . 1 1 45 45 GLU HG2 H 1 2.329 0.02 . 1 . . . . . . . . 4821 1 299 . 1 1 45 45 GLU HG3 H 1 2.329 0.02 . 1 . . . . . . . . 4821 1 300 . 1 1 45 45 GLU C C 13 178.628 0.08 . 1 . . . . . . . . 4821 1 301 . 1 1 46 46 ILE N N 15 122.163 0.02 . 1 . . . . . . . . 4821 1 302 . 1 1 46 46 ILE H H 1 7.295 0.02 . 1 . . . . . . . . 4821 1 303 . 1 1 46 46 ILE CA C 13 60.514 0.08 . 1 . . . . . . . . 4821 1 304 . 1 1 46 46 ILE HA H 1 3.765 0.02 . 1 . . . . . . . . 4821 1 305 . 1 1 46 46 ILE CB C 13 33.797 0.08 . 1 . . . . . . . . 4821 1 306 . 1 1 46 46 ILE HB H 1 2.364 0.02 . 1 . . . . . . . . 4821 1 307 . 1 1 46 46 ILE HG21 H 1 0.709 0.02 . 1 . . . . . . . . 4821 1 308 . 1 1 46 46 ILE HG22 H 1 0.709 0.02 . 1 . . . . . . . . 4821 1 309 . 1 1 46 46 ILE HG23 H 1 0.709 0.02 . 1 . . . . . . . . 4821 1 310 . 1 1 46 46 ILE CG2 C 13 16.424 0.08 . 1 . . . . . . . . 4821 1 311 . 1 1 46 46 ILE CG1 C 13 26.651 0.08 . 1 . . . . . . . . 4821 1 312 . 1 1 46 46 ILE HG12 H 1 1.474 0.02 . 1 . . . . . . . . 4821 1 313 . 1 1 46 46 ILE HG13 H 1 1.555 0.02 . 1 . . . . . . . . 4821 1 314 . 1 1 46 46 ILE HD11 H 1 0.771 0.02 . 1 . . . . . . . . 4821 1 315 . 1 1 46 46 ILE HD12 H 1 0.771 0.02 . 1 . . . . . . . . 4821 1 316 . 1 1 46 46 ILE HD13 H 1 0.771 0.02 . 1 . . . . . . . . 4821 1 317 . 1 1 46 46 ILE CD1 C 13 9.192 0.08 . 1 . . . . . . . . 4821 1 318 . 1 1 46 46 ILE C C 13 175.006 0.08 . 1 . . . . . . . . 4821 1 319 . 1 1 47 47 ARG N N 15 118.207 0.02 . 1 . . . . . . . . 4821 1 320 . 1 1 47 47 ARG H H 1 7.523 0.02 . 1 . . . . . . . . 4821 1 321 . 1 1 47 47 ARG CA C 13 59.052 0.08 . 1 . . . . . . . . 4821 1 322 . 1 1 47 47 ARG HA H 1 3.666 0.02 . 1 . . . . . . . . 4821 1 323 . 1 1 47 47 ARG CB C 13 28.600 0.08 . 1 . . . . . . . . 4821 1 324 . 1 1 47 47 ARG HB2 H 1 1.897 0.02 . 1 . . . . . . . . 4821 1 325 . 1 1 47 47 ARG HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4821 1 326 . 1 1 47 47 ARG CG C 13 26.732 0.08 . 1 . . . . . . . . 4821 1 327 . 1 1 47 47 ARG HG2 H 1 1.457 0.02 . 1 . . . . . . . . 4821 1 328 . 1 1 47 47 ARG HG3 H 1 1.457 0.02 . 1 . . . . . . . . 4821 1 329 . 1 1 47 47 ARG CD C 13 42.648 0.08 . 1 . . . . . . . . 4821 1 330 . 1 1 47 47 ARG HD2 H 1 3.223 0.02 . 1 . . . . . . . . 4821 1 331 . 1 1 47 47 ARG HD3 H 1 3.223 0.02 . 1 . . . . . . . . 4821 1 332 . 1 1 47 47 ARG HH21 H 1 6.465 0.02 . 1 . . . . . . . . 4821 1 333 . 1 1 47 47 ARG HH22 H 1 6.465 0.02 . 1 . . . . . . . . 4821 1 334 . 1 1 47 47 ARG C C 13 177.609 0.08 . 1 . . . . . . . . 4821 1 335 . 1 1 48 48 GLN N N 15 115.465 0.02 . 1 . . . . . . . . 4821 1 336 . 1 1 48 48 GLN H H 1 8.380 0.02 . 1 . . . . . . . . 4821 1 337 . 1 1 48 48 GLN CA C 13 56.453 0.08 . 1 . . . . . . . . 4821 1 338 . 1 1 48 48 GLN HA H 1 4.061 0.02 . 1 . . . . . . . . 4821 1 339 . 1 1 48 48 GLN CB C 13 26.731 0.08 . 1 . . . . . . . . 4821 1 340 . 1 1 48 48 GLN HB2 H 1 2.058 0.02 . 1 . . . . . . . . 4821 1 341 . 1 1 48 48 GLN HB3 H 1 2.058 0.02 . 1 . . . . . . . . 4821 1 342 . 1 1 48 48 GLN CG C 13 32.653 0.08 . 1 . . . . . . . . 4821 1 343 . 1 1 48 48 GLN HG2 H 1 2.400 0.02 . 1 . . . . . . . . 4821 1 344 . 1 1 48 48 GLN HG3 H 1 2.400 0.02 . 1 . . . . . . . . 4821 1 345 . 1 1 48 48 GLN NE2 N 15 112.280 0.02 . 1 . . . . . . . . 4821 1 346 . 1 1 48 48 GLN HE21 H 1 7.440 0.02 . 1 . . . . . . . . 4821 1 347 . 1 1 48 48 GLN HE22 H 1 6.800 0.02 . 1 . . . . . . . . 4821 1 348 . 1 1 48 48 GLN C C 13 178.458 0.08 . 1 . . . . . . . . 4821 1 349 . 1 1 49 49 GLY N N 15 109.112 0.02 . 1 . . . . . . . . 4821 1 350 . 1 1 49 49 GLY H H 1 7.825 0.02 . 1 . . . . . . . . 4821 1 351 . 1 1 49 49 GLY CA C 13 45.978 0.08 . 1 . . . . . . . . 4821 1 352 . 1 1 49 49 GLY HA2 H 1 3.742 0.02 . 1 . . . . . . . . 4821 1 353 . 1 1 49 49 GLY HA3 H 1 4.092 0.02 . 1 . . . . . . . . 4821 1 354 . 1 1 49 49 GLY C C 13 173.789 0.08 . 1 . . . . . . . . 4821 1 355 . 1 1 50 50 LEU N N 15 119.388 0.02 . 1 . . . . . . . . 4821 1 356 . 1 1 50 50 LEU H H 1 7.314 0.02 . 1 . . . . . . . . 4821 1 357 . 1 1 50 50 LEU CA C 13 54.829 0.08 . 1 . . . . . . . . 4821 1 358 . 1 1 50 50 LEU HA H 1 3.918 0.02 . 1 . . . . . . . . 4821 1 359 . 1 1 50 50 LEU CB C 13 40.700 0.08 . 1 . . . . . . . . 4821 1 360 . 1 1 50 50 LEU HB2 H 1 1.620 0.02 . 1 . . . . . . . . 4821 1 361 . 1 1 50 50 LEU HB3 H 1 1.313 0.02 . 1 . . . . . . . . 4821 1 362 . 1 1 50 50 LEU CG C 13 24.702 0.08 . 1 . . . . . . . . 4821 1 363 . 1 1 50 50 LEU HG H 1 0.445 0.02 . 1 . . . . . . . . 4821 1 364 . 1 1 50 50 LEU HD11 H 1 -0.146 0.02 . 2 . . . . . . . . 4821 1 365 . 1 1 50 50 LEU HD12 H 1 -0.146 0.02 . 2 . . . . . . . . 4821 1 366 . 1 1 50 50 LEU HD13 H 1 -0.146 0.02 . 2 . . . . . . . . 4821 1 367 . 1 1 50 50 LEU HD21 H 1 0.608 0.02 . 2 . . . . . . . . 4821 1 368 . 1 1 50 50 LEU HD22 H 1 0.608 0.02 . 2 . . . . . . . . 4821 1 369 . 1 1 50 50 LEU HD23 H 1 0.608 0.02 . 2 . . . . . . . . 4821 1 370 . 1 1 50 50 LEU CD1 C 13 19.505 0.08 . 1 . . . . . . . . 4821 1 371 . 1 1 50 50 LEU CD2 C 13 19.716 0.08 . 1 . . . . . . . . 4821 1 372 . 1 1 50 50 LEU C C 13 175.826 0.08 . 1 . . . . . . . . 4821 1 373 . 1 1 51 51 GLN N N 15 115.514 0.02 . 1 . . . . . . . . 4821 1 374 . 1 1 51 51 GLN H H 1 7.347 0.02 . 1 . . . . . . . . 4821 1 375 . 1 1 51 51 GLN CA C 13 54.180 0.08 . 1 . . . . . . . . 4821 1 376 . 1 1 51 51 GLN HA H 1 4.363 0.02 . 1 . . . . . . . . 4821 1 377 . 1 1 51 51 GLN CB C 13 27.097 0.08 . 1 . . . . . . . . 4821 1 378 . 1 1 51 51 GLN HB2 H 1 2.346 0.02 . 1 . . . . . . . . 4821 1 379 . 1 1 51 51 GLN HB3 H 1 2.067 0.02 . 1 . . . . . . . . 4821 1 380 . 1 1 51 51 GLN CG C 13 32.214 0.08 . 1 . . . . . . . . 4821 1 381 . 1 1 51 51 GLN HG2 H 1 1.962 0.02 . 1 . . . . . . . . 4821 1 382 . 1 1 51 51 GLN HG3 H 1 1.962 0.02 . 1 . . . . . . . . 4821 1 383 . 1 1 51 51 GLN C C 13 174.780 0.08 . 1 . . . . . . . . 4821 1 384 . 1 1 52 52 LYS N N 15 119.961 0.02 . 1 . . . . . . . . 4821 1 385 . 1 1 52 52 LYS H H 1 7.638 0.02 . 1 . . . . . . . . 4821 1 386 . 1 1 52 52 LYS CA C 13 52.474 0.08 . 1 . . . . . . . . 4821 1 387 . 1 1 52 52 LYS HA H 1 4.599 0.02 . 1 . . . . . . . . 4821 1 388 . 1 1 52 52 LYS CB C 13 33.229 0.08 . 1 . . . . . . . . 4821 1 389 . 1 1 52 52 LYS HB2 H 1 1.917 0.02 . 1 . . . . . . . . 4821 1 390 . 1 1 52 52 LYS HB3 H 1 1.917 0.02 . 1 . . . . . . . . 4821 1 391 . 1 1 52 52 LYS CG C 13 27.625 0.08 . 1 . . . . . . . . 4821 1 392 . 1 1 52 52 LYS HG2 H 1 1.281 0.02 . 1 . . . . . . . . 4821 1 393 . 1 1 52 52 LYS HG3 H 1 1.281 0.02 . 1 . . . . . . . . 4821 1 394 . 1 1 52 52 LYS CD C 13 23.565 0.08 . 1 . . . . . . . . 4821 1 395 . 1 1 52 52 LYS HD2 H 1 1.709 0.02 . 1 . . . . . . . . 4821 1 396 . 1 1 52 52 LYS HD3 H 1 1.709 0.02 . 1 . . . . . . . . 4821 1 397 . 1 1 52 52 LYS CE C 13 40.781 0.08 . 1 . . . . . . . . 4821 1 398 . 1 1 52 52 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4821 1 399 . 1 1 52 52 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4821 1 400 . 1 1 52 52 LYS C C 13 174.044 0.08 . 1 . . . . . . . . 4821 1 401 . 1 1 53 53 LYS N N 15 121.004 0.02 . 1 . . . . . . . . 4821 1 402 . 1 1 53 53 LYS H H 1 8.683 0.02 . 1 . . . . . . . . 4821 1 403 . 1 1 53 53 LYS CA C 13 53.169 0.08 . 1 . . . . . . . . 4821 1 404 . 1 1 53 53 LYS HA H 1 4.507 0.02 . 1 . . . . . . . . 4821 1 405 . 1 1 53 53 LYS CB C 13 28.970 0.08 . 1 . . . . . . . . 4821 1 406 . 1 1 53 53 LYS HB2 H 1 1.629 0.02 . 1 . . . . . . . . 4821 1 407 . 1 1 53 53 LYS HB3 H 1 1.629 0.02 . 1 . . . . . . . . 4821 1 408 . 1 1 53 53 LYS HD2 H 1 2.293 0.02 . 1 . . . . . . . . 4821 1 409 . 1 1 53 53 LYS HD3 H 1 2.293 0.02 . 1 . . . . . . . . 4821 1 410 . 1 1 53 53 LYS HE2 H 1 3.788 0.02 . 1 . . . . . . . . 4821 1 411 . 1 1 53 53 LYS HE3 H 1 3.788 0.02 . 1 . . . . . . . . 4821 1 412 . 1 1 54 54 PRO CD C 13 47.846 0.08 . 1 . . . . . . . . 4821 1 413 . 1 1 54 54 PRO CA C 13 64.736 0.08 . 1 . . . . . . . . 4821 1 414 . 1 1 54 54 PRO HA H 1 3.420 0.02 . 1 . . . . . . . . 4821 1 415 . 1 1 54 54 PRO CB C 13 30.062 0.08 . 1 . . . . . . . . 4821 1 416 . 1 1 54 54 PRO HB2 H 1 1.521 0.02 . 1 . . . . . . . . 4821 1 417 . 1 1 54 54 PRO HB3 H 1 1.421 0.02 . 1 . . . . . . . . 4821 1 418 . 1 1 54 54 PRO CG C 13 24.347 0.08 . 1 . . . . . . . . 4821 1 419 . 1 1 54 54 PRO HG2 H 1 2.128 0.02 . 1 . . . . . . . . 4821 1 420 . 1 1 54 54 PRO HG3 H 1 2.128 0.02 . 1 . . . . . . . . 4821 1 421 . 1 1 54 54 PRO HD2 H 1 3.197 0.02 . 1 . . . . . . . . 4821 1 422 . 1 1 54 54 PRO HD3 H 1 3.197 0.02 . 1 . . . . . . . . 4821 1 423 . 1 1 54 54 PRO C C 13 177.807 0.08 . 1 . . . . . . . . 4821 1 424 . 1 1 55 55 GLN N N 15 114.329 0.02 . 1 . . . . . . . . 4821 1 425 . 1 1 55 55 GLN H H 1 8.972 0.02 . 1 . . . . . . . . 4821 1 426 . 1 1 55 55 GLN CA C 13 57.184 0.08 . 1 . . . . . . . . 4821 1 427 . 1 1 55 55 GLN HA H 1 4.050 0.02 . 1 . . . . . . . . 4821 1 428 . 1 1 55 55 GLN CB C 13 25.920 0.08 . 1 . . . . . . . . 4821 1 429 . 1 1 55 55 GLN HB2 H 1 2.123 0.02 . 1 . . . . . . . . 4821 1 430 . 1 1 55 55 GLN HB3 H 1 2.003 0.02 . 1 . . . . . . . . 4821 1 431 . 1 1 55 55 GLN CG C 13 32.335 0.08 . 1 . . . . . . . . 4821 1 432 . 1 1 55 55 GLN HG2 H 1 2.330 0.02 . 1 . . . . . . . . 4821 1 433 . 1 1 55 55 GLN HG3 H 1 2.471 0.02 . 1 . . . . . . . . 4821 1 434 . 1 1 55 55 GLN C C 13 175.091 0.08 . 1 . . . . . . . . 4821 1 435 . 1 1 56 56 GLU N N 15 117.159 0.02 . 1 . . . . . . . . 4821 1 436 . 1 1 56 56 GLU H H 1 7.681 0.02 . 1 . . . . . . . . 4821 1 437 . 1 1 56 56 GLU CA C 13 53.611 0.08 . 1 . . . . . . . . 4821 1 438 . 1 1 56 56 GLU HA H 1 4.641 0.02 . 1 . . . . . . . . 4821 1 439 . 1 1 56 56 GLU CB C 13 29.412 0.08 . 1 . . . . . . . . 4821 1 440 . 1 1 56 56 GLU HB2 H 1 2.287 0.02 . 1 . . . . . . . . 4821 1 441 . 1 1 56 56 GLU HB3 H 1 1.937 0.02 . 1 . . . . . . . . 4821 1 442 . 1 1 56 56 GLU CG C 13 34.609 0.08 . 1 . . . . . . . . 4821 1 443 . 1 1 56 56 GLU HG2 H 1 2.776 0.02 . 1 . . . . . . . . 4821 1 444 . 1 1 56 56 GLU HG3 H 1 2.776 0.02 . 1 . . . . . . . . 4821 1 445 . 1 1 56 56 GLU C C 13 175.515 0.08 . 1 . . . . . . . . 4821 1 446 . 1 1 57 57 SER N N 15 114.883 0.02 . 1 . . . . . . . . 4821 1 447 . 1 1 57 57 SER H H 1 7.426 0.02 . 1 . . . . . . . . 4821 1 448 . 1 1 57 57 SER CA C 13 59.296 0.08 . 1 . . . . . . . . 4821 1 449 . 1 1 57 57 SER HA H 1 4.203 0.02 . 1 . . . . . . . . 4821 1 450 . 1 1 57 57 SER CB C 13 64.087 0.08 . 1 . . . . . . . . 4821 1 451 . 1 1 57 57 SER HB2 H 1 3.656 0.02 . 1 . . . . . . . . 4821 1 452 . 1 1 57 57 SER HB3 H 1 3.656 0.02 . 1 . . . . . . . . 4821 1 453 . 1 1 57 57 SER C C 13 173.619 0.08 . 1 . . . . . . . . 4821 1 454 . 1 1 58 58 GLY N N 15 111.618 0.02 . 1 . . . . . . . . 4821 1 455 . 1 1 58 58 GLY H H 1 8.793 0.02 . 1 . . . . . . . . 4821 1 456 . 1 1 58 58 GLY CA C 13 43.911 0.08 . 1 . . . . . . . . 4821 1 457 . 1 1 58 58 GLY HA2 H 1 4.084 0.02 . 1 . . . . . . . . 4821 1 458 . 1 1 58 58 GLY HA3 H 1 4.084 0.02 . 1 . . . . . . . . 4821 1 459 . 1 1 58 58 GLY C C 13 173.619 0.08 . 1 . . . . . . . . 4821 1 460 . 1 1 59 59 ILE N N 15 121.614 0.02 . 1 . . . . . . . . 4821 1 461 . 1 1 59 59 ILE H H 1 8.298 0.02 . 1 . . . . . . . . 4821 1 462 . 1 1 59 59 ILE CA C 13 64.087 0.08 . 1 . . . . . . . . 4821 1 463 . 1 1 59 59 ILE HA H 1 3.574 0.02 . 1 . . . . . . . . 4821 1 464 . 1 1 59 59 ILE CB C 13 35.178 0.08 . 1 . . . . . . . . 4821 1 465 . 1 1 59 59 ILE HB H 1 2.062 0.02 . 1 . . . . . . . . 4821 1 466 . 1 1 59 59 ILE HG21 H 1 0.659 0.02 . 1 . . . . . . . . 4821 1 467 . 1 1 59 59 ILE HG22 H 1 0.659 0.02 . 1 . . . . . . . . 4821 1 468 . 1 1 59 59 ILE HG23 H 1 0.659 0.02 . 1 . . . . . . . . 4821 1 469 . 1 1 59 59 ILE CG2 C 13 15.363 0.08 . 1 . . . . . . . . 4821 1 470 . 1 1 59 59 ILE CG1 C 13 21.372 0.08 . 1 . . . . . . . . 4821 1 471 . 1 1 59 59 ILE HG12 H 1 0.806 0.02 . 1 . . . . . . . . 4821 1 472 . 1 1 59 59 ILE HG13 H 1 0.806 0.02 . 1 . . . . . . . . 4821 1 473 . 1 1 59 59 ILE HD11 H 1 0.944 0.02 . 1 . . . . . . . . 4821 1 474 . 1 1 59 59 ILE HD12 H 1 0.944 0.02 . 1 . . . . . . . . 4821 1 475 . 1 1 59 59 ILE HD13 H 1 0.944 0.02 . 1 . . . . . . . . 4821 1 476 . 1 1 59 59 ILE CD1 C 13 11.465 0.08 . 1 . . . . . . . . 4821 1 477 . 1 1 59 59 ILE C C 13 174.864 0.08 . 1 . . . . . . . . 4821 1 478 . 1 1 60 60 GLN N N 15 123.384 0.02 . 1 . . . . . . . . 4821 1 479 . 1 1 60 60 GLN H H 1 8.550 0.02 . 1 . . . . . . . . 4821 1 480 . 1 1 60 60 GLN CA C 13 57.672 0.08 . 1 . . . . . . . . 4821 1 481 . 1 1 60 60 GLN HA H 1 4.466 0.02 . 1 . . . . . . . . 4821 1 482 . 1 1 60 60 GLN CB C 13 25.270 0.08 . 1 . . . . . . . . 4821 1 483 . 1 1 60 60 GLN HB2 H 1 1.860 0.02 . 1 . . . . . . . . 4821 1 484 . 1 1 60 60 GLN HB3 H 1 2.386 0.02 . 1 . . . . . . . . 4821 1 485 . 1 1 60 60 GLN CG C 13 28.925 0.08 . 1 . . . . . . . . 4821 1 486 . 1 1 60 60 GLN HG2 H 1 2.495 0.02 . 2 . . . . . . . . 4821 1 487 . 1 1 60 60 GLN HG3 H 1 2.523 0.02 . 2 . . . . . . . . 4821 1 488 . 1 1 60 60 GLN C C 13 175.770 0.08 . 1 . . . . . . . . 4821 1 489 . 1 1 61 61 ALA N N 15 118.764 0.02 . 1 . . . . . . . . 4821 1 490 . 1 1 61 61 ALA H H 1 7.803 0.02 . 1 . . . . . . . . 4821 1 491 . 1 1 61 61 ALA CA C 13 53.530 0.08 . 1 . . . . . . . . 4821 1 492 . 1 1 61 61 ALA HA H 1 4.106 0.02 . 1 . . . . . . . . 4821 1 493 . 1 1 61 61 ALA HB1 H 1 1.402 0.02 . 1 . . . . . . . . 4821 1 494 . 1 1 61 61 ALA HB2 H 1 1.402 0.02 . 1 . . . . . . . . 4821 1 495 . 1 1 61 61 ALA HB3 H 1 1.402 0.02 . 1 . . . . . . . . 4821 1 496 . 1 1 61 61 ALA CB C 13 16.663 0.08 . 1 . . . . . . . . 4821 1 497 . 1 1 61 61 ALA C C 13 179.929 0.08 . 1 . . . . . . . . 4821 1 498 . 1 1 62 62 ILE N N 15 119.331 0.02 . 1 . . . . . . . . 4821 1 499 . 1 1 62 62 ILE H H 1 7.104 0.02 . 1 . . . . . . . . 4821 1 500 . 1 1 62 62 ILE CA C 13 62.706 0.08 . 1 . . . . . . . . 4821 1 501 . 1 1 62 62 ILE HA H 1 3.776 0.02 . 1 . . . . . . . . 4821 1 502 . 1 1 62 62 ILE CB C 13 37.532 0.08 . 1 . . . . . . . . 4821 1 503 . 1 1 62 62 ILE HB H 1 1.795 0.02 . 1 . . . . . . . . 4821 1 504 . 1 1 62 62 ILE HG21 H 1 0.787 0.02 . 1 . . . . . . . . 4821 1 505 . 1 1 62 62 ILE HG22 H 1 0.787 0.02 . 1 . . . . . . . . 4821 1 506 . 1 1 62 62 ILE HG23 H 1 0.787 0.02 . 1 . . . . . . . . 4821 1 507 . 1 1 62 62 ILE CG2 C 13 15.171 0.08 . 1 . . . . . . . . 4821 1 508 . 1 1 62 62 ILE CG1 C 13 26.377 0.08 . 1 . . . . . . . . 4821 1 509 . 1 1 62 62 ILE HG12 H 1 0.860 0.02 . 1 . . . . . . . . 4821 1 510 . 1 1 62 62 ILE HG13 H 1 0.860 0.02 . 1 . . . . . . . . 4821 1 511 . 1 1 62 62 ILE HD11 H 1 1.688 0.02 . 1 . . . . . . . . 4821 1 512 . 1 1 62 62 ILE HD12 H 1 1.688 0.02 . 1 . . . . . . . . 4821 1 513 . 1 1 62 62 ILE HD13 H 1 1.688 0.02 . 1 . . . . . . . . 4821 1 514 . 1 1 62 62 ILE CD1 C 13 12.329 0.08 . 1 . . . . . . . . 4821 1 515 . 1 1 62 62 ILE C C 13 175.940 0.08 . 1 . . . . . . . . 4821 1 516 . 1 1 63 63 ALA N N 15 121.805 0.02 . 1 . . . . . . . . 4821 1 517 . 1 1 63 63 ALA H H 1 9.061 0.02 . 1 . . . . . . . . 4821 1 518 . 1 1 63 63 ALA CA C 13 54.261 0.08 . 1 . . . . . . . . 4821 1 519 . 1 1 63 63 ALA HA H 1 3.698 0.02 . 1 . . . . . . . . 4821 1 520 . 1 1 63 63 ALA HB1 H 1 1.456 0.02 . 1 . . . . . . . . 4821 1 521 . 1 1 63 63 ALA HB2 H 1 1.456 0.02 . 1 . . . . . . . . 4821 1 522 . 1 1 63 63 ALA HB3 H 1 1.456 0.02 . 1 . . . . . . . . 4821 1 523 . 1 1 63 63 ALA CB C 13 16.663 0.08 . 1 . . . . . . . . 4821 1 524 . 1 1 63 63 ALA C C 13 178.260 0.08 . 1 . . . . . . . . 4821 1 525 . 1 1 64 64 GLU N N 15 115.732 0.02 . 1 . . . . . . . . 4821 1 526 . 1 1 64 64 GLU H H 1 8.803 0.02 . 1 . . . . . . . . 4821 1 527 . 1 1 64 64 GLU CA C 13 56.535 0.08 . 1 . . . . . . . . 4821 1 528 . 1 1 64 64 GLU HA H 1 4.280 0.02 . 1 . . . . . . . . 4821 1 529 . 1 1 64 64 GLU CB C 13 28.843 0.08 . 1 . . . . . . . . 4821 1 530 . 1 1 64 64 GLU HB2 H 1 1.904 0.02 . 1 . . . . . . . . 4821 1 531 . 1 1 64 64 GLU HB3 H 1 2.233 0.02 . 1 . . . . . . . . 4821 1 532 . 1 1 64 64 GLU CG C 13 35.827 0.08 . 1 . . . . . . . . 4821 1 533 . 1 1 64 64 GLU C C 13 177.128 0.08 . 1 . . . . . . . . 4821 1 534 . 1 1 65 65 ALA N N 15 122.282 0.02 . 1 . . . . . . . . 4821 1 535 . 1 1 65 65 ALA H H 1 7.408 0.02 . 1 . . . . . . . . 4821 1 536 . 1 1 65 65 ALA CA C 13 53.774 0.08 . 1 . . . . . . . . 4821 1 537 . 1 1 65 65 ALA HA H 1 4.138 0.02 . 1 . . . . . . . . 4821 1 538 . 1 1 65 65 ALA HB1 H 1 1.552 0.02 . 1 . . . . . . . . 4821 1 539 . 1 1 65 65 ALA HB2 H 1 1.552 0.02 . 1 . . . . . . . . 4821 1 540 . 1 1 65 65 ALA HB3 H 1 1.552 0.02 . 1 . . . . . . . . 4821 1 541 . 1 1 65 65 ALA CB C 13 16.419 0.08 . 1 . . . . . . . . 4821 1 542 . 1 1 65 65 ALA C C 13 179.844 0.08 . 1 . . . . . . . . 4821 1 543 . 1 1 66 66 VAL N N 15 119.628 0.02 . 1 . . . . . . . . 4821 1 544 . 1 1 66 66 VAL H H 1 8.060 0.02 . 1 . . . . . . . . 4821 1 545 . 1 1 66 66 VAL CA C 13 64.655 0.08 . 1 . . . . . . . . 4821 1 546 . 1 1 66 66 VAL HA H 1 3.442 0.02 . 1 . . . . . . . . 4821 1 547 . 1 1 66 66 VAL CB C 13 29.818 0.08 . 1 . . . . . . . . 4821 1 548 . 1 1 66 66 VAL HB H 1 1.917 0.02 . 1 . . . . . . . . 4821 1 549 . 1 1 66 66 VAL HG11 H 1 0.750 0.02 . 2 . . . . . . . . 4821 1 550 . 1 1 66 66 VAL HG12 H 1 0.750 0.02 . 2 . . . . . . . . 4821 1 551 . 1 1 66 66 VAL HG13 H 1 0.750 0.02 . 2 . . . . . . . . 4821 1 552 . 1 1 66 66 VAL HG21 H 1 1.073 0.02 . 2 . . . . . . . . 4821 1 553 . 1 1 66 66 VAL HG22 H 1 1.073 0.02 . 2 . . . . . . . . 4821 1 554 . 1 1 66 66 VAL HG23 H 1 1.073 0.02 . 2 . . . . . . . . 4821 1 555 . 1 1 66 66 VAL CG1 C 13 20.883 0.08 . 1 . . . . . . . . 4821 1 556 . 1 1 66 66 VAL CG2 C 13 21.176 0.08 . 1 . . . . . . . . 4821 1 557 . 1 1 66 66 VAL C C 13 177.185 0.08 . 1 . . . . . . . . 4821 1 558 . 1 1 67 67 ARG N N 15 124.819 0.02 . 1 . . . . . . . . 4821 1 559 . 1 1 67 67 ARG H H 1 9.024 0.02 . 1 . . . . . . . . 4821 1 560 . 1 1 67 67 ARG CA C 13 58.890 0.08 . 1 . . . . . . . . 4821 1 561 . 1 1 67 67 ARG HA H 1 3.612 0.02 . 1 . . . . . . . . 4821 1 562 . 1 1 67 67 ARG CB C 13 28.113 0.08 . 1 . . . . . . . . 4821 1 563 . 1 1 67 67 ARG HB2 H 1 2.057 0.02 . 1 . . . . . . . . 4821 1 564 . 1 1 67 67 ARG HB3 H 1 2.057 0.02 . 1 . . . . . . . . 4821 1 565 . 1 1 67 67 ARG CG C 13 26.540 0.08 . 1 . . . . . . . . 4821 1 566 . 1 1 67 67 ARG HG2 H 1 1.411 0.02 . 1 . . . . . . . . 4821 1 567 . 1 1 67 67 ARG HG3 H 1 1.411 0.02 . 1 . . . . . . . . 4821 1 568 . 1 1 67 67 ARG CD C 13 40.375 0.08 . 1 . . . . . . . . 4821 1 569 . 1 1 67 67 ARG HD2 H 1 2.975 0.02 . 1 . . . . . . . . 4821 1 570 . 1 1 67 67 ARG HD3 H 1 2.975 0.02 . 1 . . . . . . . . 4821 1 571 . 1 1 67 67 ARG C C 13 177.241 0.08 . 1 . . . . . . . . 4821 1 572 . 1 1 68 68 LYS N N 15 118.555 0.02 . 1 . . . . . . . . 4821 1 573 . 1 1 68 68 LYS H H 1 8.246 0.02 . 1 . . . . . . . . 4821 1 574 . 1 1 68 68 LYS CA C 13 57.753 0.08 . 1 . . . . . . . . 4821 1 575 . 1 1 68 68 LYS HA H 1 4.083 0.02 . 1 . . . . . . . . 4821 1 576 . 1 1 68 68 LYS CB C 13 30.874 0.08 . 1 . . . . . . . . 4821 1 577 . 1 1 68 68 LYS HB2 H 1 1.893 0.02 . 1 . . . . . . . . 4821 1 578 . 1 1 68 68 LYS HB3 H 1 1.893 0.02 . 1 . . . . . . . . 4821 1 579 . 1 1 68 68 LYS CG C 13 23.890 0.08 . 1 . . . . . . . . 4821 1 580 . 1 1 68 68 LYS HG2 H 1 1.428 0.02 . 1 . . . . . . . . 4821 1 581 . 1 1 68 68 LYS HG3 H 1 1.428 0.02 . 1 . . . . . . . . 4821 1 582 . 1 1 68 68 LYS CD C 13 27.707 0.08 . 1 . . . . . . . . 4821 1 583 . 1 1 68 68 LYS HD2 H 1 1.637 0.02 . 1 . . . . . . . . 4821 1 584 . 1 1 68 68 LYS HD3 H 1 1.637 0.02 . 1 . . . . . . . . 4821 1 585 . 1 1 68 68 LYS CE C 13 40.375 0.08 . 1 . . . . . . . . 4821 1 586 . 1 1 68 68 LYS HE2 H 1 2.946 0.02 . 1 . . . . . . . . 4821 1 587 . 1 1 68 68 LYS HE3 H 1 2.946 0.02 . 1 . . . . . . . . 4821 1 588 . 1 1 68 68 LYS C C 13 178.543 0.08 . 1 . . . . . . . . 4821 1 589 . 1 1 69 69 ARG N N 15 118.691 0.02 . 1 . . . . . . . . 4821 1 590 . 1 1 69 69 ARG H H 1 7.708 0.02 . 1 . . . . . . . . 4821 1 591 . 1 1 69 69 ARG CA C 13 56.860 0.08 . 1 . . . . . . . . 4821 1 592 . 1 1 69 69 ARG HA H 1 4.137 0.02 . 1 . . . . . . . . 4821 1 593 . 1 1 69 69 ARG CB C 13 28.762 0.08 . 1 . . . . . . . . 4821 1 594 . 1 1 69 69 ARG HB2 H 1 1.992 0.02 . 1 . . . . . . . . 4821 1 595 . 1 1 69 69 ARG HB3 H 1 1.828 0.02 . 1 . . . . . . . . 4821 1 596 . 1 1 69 69 ARG CG C 13 25.595 0.08 . 1 . . . . . . . . 4821 1 597 . 1 1 69 69 ARG HG2 H 1 1.707 0.02 . 1 . . . . . . . . 4821 1 598 . 1 1 69 69 ARG HG3 H 1 1.707 0.02 . 1 . . . . . . . . 4821 1 599 . 1 1 69 69 ARG CD C 13 41.918 0.08 . 1 . . . . . . . . 4821 1 600 . 1 1 69 69 ARG HD2 H 1 3.165 0.02 . 1 . . . . . . . . 4821 1 601 . 1 1 69 69 ARG HD3 H 1 3.165 0.02 . 1 . . . . . . . . 4821 1 602 . 1 1 69 69 ARG C C 13 175.345 0.08 . 1 . . . . . . . . 4821 1 603 . 1 1 70 70 ASN N N 15 113.046 0.02 . 1 . . . . . . . . 4821 1 604 . 1 1 70 70 ASN H H 1 7.243 0.02 . 1 . . . . . . . . 4821 1 605 . 1 1 70 70 ASN CA C 13 51.987 0.08 . 1 . . . . . . . . 4821 1 606 . 1 1 70 70 ASN HA H 1 4.728 0.02 . 1 . . . . . . . . 4821 1 607 . 1 1 70 70 ASN CB C 13 39.725 0.08 . 1 . . . . . . . . 4821 1 608 . 1 1 70 70 ASN HB2 H 1 2.700 0.02 . 1 . . . . . . . . 4821 1 609 . 1 1 70 70 ASN HB3 H 1 2.260 0.02 . 1 . . . . . . . . 4821 1 610 . 1 1 70 70 ASN HD21 H 1 6.859 0.02 . 1 . . . . . . . . 4821 1 611 . 1 1 70 70 ASN HD22 H 1 6.636 0.02 . 1 . . . . . . . . 4821 1 612 . 1 1 70 70 ASN C C 13 171.073 0.08 . 1 . . . . . . . . 4821 1 613 . 1 1 71 71 ASP N N 15 120.295 0.02 . 1 . . . . . . . . 4821 1 614 . 1 1 71 71 ASP H H 1 7.814 0.02 . 1 . . . . . . . . 4821 1 615 . 1 1 71 71 ASP CA C 13 53.530 0.08 . 1 . . . . . . . . 4821 1 616 . 1 1 71 71 ASP HA H 1 4.345 0.02 . 1 . . . . . . . . 4821 1 617 . 1 1 71 71 ASP CB C 13 37.939 0.08 . 1 . . . . . . . . 4821 1 618 . 1 1 71 71 ASP HB2 H 1 3.108 0.02 . 1 . . . . . . . . 4821 1 619 . 1 1 71 71 ASP HB3 H 1 2.441 0.02 . 1 . . . . . . . . 4821 1 620 . 1 1 71 71 ASP C C 13 172.657 0.08 . 1 . . . . . . . . 4821 1 621 . 1 1 72 72 LEU N N 15 115.835 0.02 . 1 . . . . . . . . 4821 1 622 . 1 1 72 72 LEU H H 1 7.604 0.02 . 1 . . . . . . . . 4821 1 623 . 1 1 72 72 LEU CA C 13 51.825 0.08 . 1 . . . . . . . . 4821 1 624 . 1 1 72 72 LEU HA H 1 4.578 0.02 . 1 . . . . . . . . 4821 1 625 . 1 1 72 72 LEU CB C 13 41.755 0.08 . 1 . . . . . . . . 4821 1 626 . 1 1 72 72 LEU HB2 H 1 1.424 0.02 . 1 . . . . . . . . 4821 1 627 . 1 1 72 72 LEU HB3 H 1 1.424 0.02 . 1 . . . . . . . . 4821 1 628 . 1 1 72 72 LEU CG C 13 24.458 0.08 . 1 . . . . . . . . 4821 1 629 . 1 1 72 72 LEU HG H 1 1.452 0.02 . 1 . . . . . . . . 4821 1 630 . 1 1 72 72 LEU HD11 H 1 0.788 0.02 . 2 . . . . . . . . 4821 1 631 . 1 1 72 72 LEU HD12 H 1 0.788 0.02 . 2 . . . . . . . . 4821 1 632 . 1 1 72 72 LEU HD13 H 1 0.788 0.02 . 2 . . . . . . . . 4821 1 633 . 1 1 72 72 LEU HD21 H 1 0.738 0.02 . 2 . . . . . . . . 4821 1 634 . 1 1 72 72 LEU HD22 H 1 0.738 0.02 . 2 . . . . . . . . 4821 1 635 . 1 1 72 72 LEU HD23 H 1 0.738 0.02 . 2 . . . . . . . . 4821 1 636 . 1 1 72 72 LEU CD1 C 13 20.723 0.08 . 1 . . . . . . . . 4821 1 637 . 1 1 72 72 LEU CD2 C 13 20.444 0.08 . 1 . . . . . . . . 4821 1 638 . 1 1 72 72 LEU C C 13 174.695 0.08 . 1 . . . . . . . . 4821 1 639 . 1 1 73 73 LEU N N 15 124.031 0.02 . 1 . . . . . . . . 4821 1 640 . 1 1 73 73 LEU H H 1 7.978 0.02 . 1 . . . . . . . . 4821 1 641 . 1 1 73 73 LEU CA C 13 55.723 0.08 . 1 . . . . . . . . 4821 1 642 . 1 1 73 73 LEU HA H 1 4.356 0.02 . 1 . . . . . . . . 4821 1 643 . 1 1 73 73 LEU CB C 13 41.268 0.08 . 1 . . . . . . . . 4821 1 644 . 1 1 73 73 LEU HB2 H 1 1.368 0.02 . 1 . . . . . . . . 4821 1 645 . 1 1 73 73 LEU HB3 H 1 1.368 0.02 . 1 . . . . . . . . 4821 1 646 . 1 1 73 73 LEU CG C 13 26.813 0.08 . 1 . . . . . . . . 4821 1 647 . 1 1 73 73 LEU HG H 1 1.601 0.02 . 1 . . . . . . . . 4821 1 648 . 1 1 73 73 LEU HD11 H 1 0.858 0.02 . 2 . . . . . . . . 4821 1 649 . 1 1 73 73 LEU HD12 H 1 0.858 0.02 . 2 . . . . . . . . 4821 1 650 . 1 1 73 73 LEU HD13 H 1 0.858 0.02 . 2 . . . . . . . . 4821 1 651 . 1 1 73 73 LEU HD21 H 1 0.805 0.02 . 2 . . . . . . . . 4821 1 652 . 1 1 73 73 LEU HD22 H 1 0.805 0.02 . 2 . . . . . . . . 4821 1 653 . 1 1 73 73 LEU HD23 H 1 0.805 0.02 . 2 . . . . . . . . 4821 1 654 . 1 1 73 73 LEU CD1 C 13 20.885 0.08 . 1 . . . . . . . . 4821 1 655 . 1 1 73 73 LEU CD2 C 13 20.737 0.08 . 1 . . . . . . . . 4821 1 656 . 1 1 73 73 LEU C C 13 175.600 0.08 . 1 . . . . . . . . 4821 1 657 . 1 1 74 74 PHE N N 15 104.778 0.02 . 1 . . . . . . . . 4821 1 658 . 1 1 74 74 PHE H H 1 6.953 0.02 . 1 . . . . . . . . 4821 1 659 . 1 1 74 74 PHE CA C 13 54.874 0.08 . 1 . . . . . . . . 4821 1 660 . 1 1 74 74 PHE HA H 1 4.368 0.02 . 1 . . . . . . . . 4821 1 661 . 1 1 74 74 PHE CB C 13 38.715 0.08 . 1 . . . . . . . . 4821 1 662 . 1 1 74 74 PHE HB2 H 1 3.627 0.02 . 2 . . . . . . . . 4821 1 663 . 1 1 74 74 PHE HB3 H 1 3.675 0.02 . 2 . . . . . . . . 4821 1 664 . 1 1 74 74 PHE HZ H 1 8.919 0.02 . 1 . . . . . . . . 4821 1 665 . 1 1 74 74 PHE HD1 H 1 6.793 0.02 . 3 . . . . . . . . 4821 1 666 . 1 1 74 74 PHE HD2 H 1 6.780 0.02 . 3 . . . . . . . . 4821 1 667 . 1 1 74 74 PHE HE1 H 1 7.057 0.02 . 3 . . . . . . . . 4821 1 668 . 1 1 74 74 PHE HE2 H 1 7.042 0.02 . 3 . . . . . . . . 4821 1 669 . 1 1 75 75 ILE CA C 13 61.569 0.08 . 1 . . . . . . . . 4821 1 670 . 1 1 75 75 ILE HA H 1 4.647 0.02 . 1 . . . . . . . . 4821 1 671 . 1 1 75 75 ILE CB C 13 37.857 0.08 . 1 . . . . . . . . 4821 1 672 . 1 1 75 75 ILE HB H 1 1.753 0.02 . 1 . . . . . . . . 4821 1 673 . 1 1 75 75 ILE HG21 H 1 0.591 0.02 . 1 . . . . . . . . 4821 1 674 . 1 1 75 75 ILE HG22 H 1 0.591 0.02 . 1 . . . . . . . . 4821 1 675 . 1 1 75 75 ILE HG23 H 1 0.591 0.02 . 1 . . . . . . . . 4821 1 676 . 1 1 75 75 ILE CG2 C 13 14.308 0.08 . 1 . . . . . . . . 4821 1 677 . 1 1 75 75 ILE CG1 C 13 25.433 0.08 . 1 . . . . . . . . 4821 1 678 . 1 1 75 75 ILE HG12 H 1 0.568 0.02 . 1 . . . . . . . . 4821 1 679 . 1 1 75 75 ILE HG13 H 1 0.568 0.02 . 1 . . . . . . . . 4821 1 680 . 1 1 75 75 ILE HD11 H 1 0.807 0.02 . 1 . . . . . . . . 4821 1 681 . 1 1 75 75 ILE HD12 H 1 0.807 0.02 . 1 . . . . . . . . 4821 1 682 . 1 1 75 75 ILE HD13 H 1 0.807 0.02 . 1 . . . . . . . . 4821 1 683 . 1 1 75 75 ILE CD1 C 13 12.359 0.08 . 1 . . . . . . . . 4821 1 684 . 1 1 75 75 ILE C C 13 174.016 0.08 . 1 . . . . . . . . 4821 1 685 . 1 1 76 76 VAL N N 15 135.590 0.02 . 1 . . . . . . . . 4821 1 686 . 1 1 76 76 VAL H H 1 10.342 0.02 . 1 . . . . . . . . 4821 1 687 . 1 1 76 76 VAL CA C 13 59.458 0.08 . 1 . . . . . . . . 4821 1 688 . 1 1 76 76 VAL HA H 1 4.457 0.02 . 1 . . . . . . . . 4821 1 689 . 1 1 76 76 VAL CB C 13 34.122 0.08 . 1 . . . . . . . . 4821 1 690 . 1 1 76 76 VAL HB H 1 2.164 0.02 . 1 . . . . . . . . 4821 1 691 . 1 1 76 76 VAL HG11 H 1 1.447 0.02 . 2 . . . . . . . . 4821 1 692 . 1 1 76 76 VAL HG12 H 1 1.447 0.02 . 2 . . . . . . . . 4821 1 693 . 1 1 76 76 VAL HG13 H 1 1.447 0.02 . 2 . . . . . . . . 4821 1 694 . 1 1 76 76 VAL HG21 H 1 1.377 0.02 . 2 . . . . . . . . 4821 1 695 . 1 1 76 76 VAL HG22 H 1 1.377 0.02 . 2 . . . . . . . . 4821 1 696 . 1 1 76 76 VAL HG23 H 1 1.377 0.02 . 2 . . . . . . . . 4821 1 697 . 1 1 76 76 VAL CG1 C 13 20.079 0.08 . 1 . . . . . . . . 4821 1 698 . 1 1 76 76 VAL CG2 C 13 19.421 0.08 . 1 . . . . . . . . 4821 1 699 . 1 1 76 76 VAL C C 13 171.893 0.08 . 1 . . . . . . . . 4821 1 700 . 1 1 77 77 VAL N N 15 130.343 0.02 . 1 . . . . . . . . 4821 1 701 . 1 1 77 77 VAL H H 1 7.683 0.02 . 1 . . . . . . . . 4821 1 702 . 1 1 77 77 VAL CA C 13 58.559 0.08 . 1 . . . . . . . . 4821 1 703 . 1 1 77 77 VAL HA H 1 5.045 0.02 . 1 . . . . . . . . 4821 1 704 . 1 1 77 77 VAL CB C 13 31.193 0.08 . 1 . . . . . . . . 4821 1 705 . 1 1 77 77 VAL HB H 1 1.795 0.02 . 1 . . . . . . . . 4821 1 706 . 1 1 77 77 VAL HG11 H 1 0.873 0.02 . 2 . . . . . . . . 4821 1 707 . 1 1 77 77 VAL HG12 H 1 0.873 0.02 . 2 . . . . . . . . 4821 1 708 . 1 1 77 77 VAL HG13 H 1 0.873 0.02 . 2 . . . . . . . . 4821 1 709 . 1 1 77 77 VAL HG21 H 1 0.775 0.02 . 2 . . . . . . . . 4821 1 710 . 1 1 77 77 VAL HG22 H 1 0.775 0.02 . 2 . . . . . . . . 4821 1 711 . 1 1 77 77 VAL HG23 H 1 0.775 0.02 . 2 . . . . . . . . 4821 1 712 . 1 1 77 77 VAL CG1 C 13 19.421 0.08 . 1 . . . . . . . . 4821 1 713 . 1 1 77 77 VAL CG2 C 13 19.933 0.08 . 1 . . . . . . . . 4821 1 714 . 1 1 77 77 VAL C C 13 174.242 0.08 . 1 . . . . . . . . 4821 1 715 . 1 1 78 78 THR N N 15 119.761 0.02 . 1 . . . . . . . . 4821 1 716 . 1 1 78 78 THR H H 1 9.711 0.02 . 1 . . . . . . . . 4821 1 717 . 1 1 78 78 THR CA C 13 57.996 0.08 . 1 . . . . . . . . 4821 1 718 . 1 1 78 78 THR HA H 1 6.000 0.02 . 1 . . . . . . . . 4821 1 719 . 1 1 78 78 THR CB C 13 69.609 0.08 . 1 . . . . . . . . 4821 1 720 . 1 1 78 78 THR HB H 1 3.986 0.02 . 1 . . . . . . . . 4821 1 721 . 1 1 78 78 THR HG21 H 1 0.884 0.02 . 1 . . . . . . . . 4821 1 722 . 1 1 78 78 THR HG22 H 1 0.884 0.02 . 1 . . . . . . . . 4821 1 723 . 1 1 78 78 THR HG23 H 1 0.884 0.02 . 1 . . . . . . . . 4821 1 724 . 1 1 78 78 THR CG2 C 13 19.069 0.08 . 1 . . . . . . . . 4821 1 725 . 1 1 78 78 THR C C 13 172.516 0.08 . 1 . . . . . . . . 4821 1 726 . 1 1 79 79 ASP N N 15 117.955 0.02 . 1 . . . . . . . . 4821 1 727 . 1 1 79 79 ASP H H 1 7.661 0.02 . 1 . . . . . . . . 4821 1 728 . 1 1 79 79 ASP CA C 13 51.013 0.08 . 1 . . . . . . . . 4821 1 729 . 1 1 79 79 ASP HA H 1 5.050 0.02 . 1 . . . . . . . . 4821 1 730 . 1 1 79 79 ASP CB C 13 40.050 0.08 . 1 . . . . . . . . 4821 1 731 . 1 1 79 79 ASP HB2 H 1 2.829 0.02 . 1 . . . . . . . . 4821 1 732 . 1 1 79 79 ASP HB3 H 1 3.548 0.02 . 1 . . . . . . . . 4821 1 733 . 1 1 79 79 ASP C C 13 178.430 0.08 . 1 . . . . . . . . 4821 1 734 . 1 1 80 80 MET N N 15 114.025 0.02 . 1 . . . . . . . . 4821 1 735 . 1 1 80 80 MET H H 1 7.835 0.02 . 1 . . . . . . . . 4821 1 736 . 1 1 80 80 MET CA C 13 53.043 0.08 . 1 . . . . . . . . 4821 1 737 . 1 1 80 80 MET HA H 1 4.663 0.02 . 1 . . . . . . . . 4821 1 738 . 1 1 80 80 MET CB C 13 26.488 0.08 . 1 . . . . . . . . 4821 1 739 . 1 1 80 80 MET HB2 H 1 1.982 0.02 . 1 . . . . . . . . 4821 1 740 . 1 1 80 80 MET HB3 H 1 2.121 0.02 . 1 . . . . . . . . 4821 1 741 . 1 1 80 80 MET CG C 13 30.143 0.08 . 1 . . . . . . . . 4821 1 742 . 1 1 80 80 MET HG2 H 1 2.686 0.02 . 1 . . . . . . . . 4821 1 743 . 1 1 80 80 MET HG3 H 1 2.686 0.02 . 1 . . . . . . . . 4821 1 744 . 1 1 80 80 MET C C 13 176.166 0.08 . 1 . . . . . . . . 4821 1 745 . 1 1 81 81 GLN N N 15 119.730 0.02 . 1 . . . . . . . . 4821 1 746 . 1 1 81 81 GLN H H 1 8.366 0.02 . 1 . . . . . . . . 4821 1 747 . 1 1 81 81 GLN CA C 13 53.692 0.08 . 1 . . . . . . . . 4821 1 748 . 1 1 81 81 GLN HA H 1 4.520 0.02 . 1 . . . . . . . . 4821 1 749 . 1 1 81 81 GLN CB C 13 27.138 0.08 . 1 . . . . . . . . 4821 1 750 . 1 1 81 81 GLN HB2 H 1 2.342 0.02 . 1 . . . . . . . . 4821 1 751 . 1 1 81 81 GLN HB3 H 1 2.342 0.02 . 1 . . . . . . . . 4821 1 752 . 1 1 81 81 GLN CG C 13 33.391 0.08 . 1 . . . . . . . . 4821 1 753 . 1 1 81 81 GLN HG2 H 1 2.501 0.02 . 1 . . . . . . . . 4821 1 754 . 1 1 81 81 GLN HG3 H 1 2.501 0.02 . 1 . . . . . . . . 4821 1 755 . 1 1 81 81 GLN C C 13 174.638 0.08 . 1 . . . . . . . . 4821 1 756 . 1 1 82 82 SER N N 15 111.425 0.02 . 1 . . . . . . . . 4821 1 757 . 1 1 82 82 SER H H 1 7.777 0.02 . 1 . . . . . . . . 4821 1 758 . 1 1 82 82 SER CA C 13 58.565 0.08 . 1 . . . . . . . . 4821 1 759 . 1 1 82 82 SER HA H 1 4.342 0.02 . 1 . . . . . . . . 4821 1 760 . 1 1 82 82 SER CB C 13 61.326 0.08 . 1 . . . . . . . . 4821 1 761 . 1 1 82 82 SER HB2 H 1 3.955 0.02 . 1 . . . . . . . . 4821 1 762 . 1 1 82 82 SER HB3 H 1 3.762 0.02 . 1 . . . . . . . . 4821 1 763 . 1 1 82 82 SER C C 13 170.818 0.08 . 1 . . . . . . . . 4821 1 764 . 1 1 83 83 LEU N N 15 122.844 0.02 . 1 . . . . . . . . 4821 1 765 . 1 1 83 83 LEU H H 1 8.677 0.02 . 1 . . . . . . . . 4821 1 766 . 1 1 83 83 LEU CA C 13 53.774 0.08 . 1 . . . . . . . . 4821 1 767 . 1 1 83 83 LEU HA H 1 4.138 0.02 . 1 . . . . . . . . 4821 1 768 . 1 1 83 83 LEU CB C 13 39.481 0.08 . 1 . . . . . . . . 4821 1 769 . 1 1 83 83 LEU HB2 H 1 2.016 0.02 . 1 . . . . . . . . 4821 1 770 . 1 1 83 83 LEU HB3 H 1 2.158 0.02 . 1 . . . . . . . . 4821 1 771 . 1 1 83 83 LEU CG C 13 23.484 0.08 . 1 . . . . . . . . 4821 1 772 . 1 1 83 83 LEU HG H 1 0.606 0.02 . 1 . . . . . . . . 4821 1 773 . 1 1 83 83 LEU HD11 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 774 . 1 1 83 83 LEU HD12 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 775 . 1 1 83 83 LEU HD13 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 776 . 1 1 83 83 LEU HD21 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 777 . 1 1 83 83 LEU HD22 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 778 . 1 1 83 83 LEU HD23 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 779 . 1 1 83 83 LEU CD1 C 13 20.398 0.08 . 1 . . . . . . . . 4821 1 780 . 1 1 83 83 LEU CD2 C 13 20.152 0.08 . 1 . . . . . . . . 4821 1 781 . 1 1 83 83 LEU C C 13 176.477 0.08 . 1 . . . . . . . . 4821 1 782 . 1 1 84 84 ARG N N 15 117.763 0.02 . 1 . . . . . . . . 4821 1 783 . 1 1 84 84 ARG H H 1 8.232 0.02 . 1 . . . . . . . . 4821 1 784 . 1 1 84 84 ARG CA C 13 56.042 0.08 . 1 . . . . . . . . 4821 1 785 . 1 1 84 84 ARG HA H 1 4.584 0.02 . 1 . . . . . . . . 4821 1 786 . 1 1 84 84 ARG CB C 13 29.569 0.08 . 1 . . . . . . . . 4821 1 787 . 1 1 84 84 ARG HB2 H 1 2.173 0.02 . 1 . . . . . . . . 4821 1 788 . 1 1 84 84 ARG HB3 H 1 2.173 0.02 . 1 . . . . . . . . 4821 1 789 . 1 1 84 84 ARG CG C 13 27.352 0.08 . 1 . . . . . . . . 4821 1 790 . 1 1 84 84 ARG HG2 H 1 0.964 0.02 . 1 . . . . . . . . 4821 1 791 . 1 1 84 84 ARG HG3 H 1 0.964 0.02 . 1 . . . . . . . . 4821 1 792 . 1 1 84 84 ARG CD C 13 41.425 0.08 . 1 . . . . . . . . 4821 1 793 . 1 1 84 84 ARG HD2 H 1 2.526 0.02 . 1 . . . . . . . . 4821 1 794 . 1 1 84 84 ARG HD3 H 1 2.619 0.02 . 1 . . . . . . . . 4821 1 795 . 1 1 84 84 ARG C C 13 176.675 0.08 . 1 . . . . . . . . 4821 1 796 . 1 1 85 85 TYR N N 15 123.169 0.02 . 1 . . . . . . . . 4821 1 797 . 1 1 85 85 TYR H H 1 10.629 0.02 . 1 . . . . . . . . 4821 1 798 . 1 1 85 85 TYR CA C 13 57.428 0.08 . 1 . . . . . . . . 4821 1 799 . 1 1 85 85 TYR HA H 1 4.302 0.02 . 1 . . . . . . . . 4821 1 800 . 1 1 85 85 TYR CB C 13 37.045 0.08 . 1 . . . . . . . . 4821 1 801 . 1 1 85 85 TYR HB2 H 1 2.966 0.02 . 1 . . . . . . . . 4821 1 802 . 1 1 85 85 TYR HB3 H 1 2.769 0.02 . 1 . . . . . . . . 4821 1 803 . 1 1 85 85 TYR HE1 H 1 6.313 0.02 . 3 . . . . . . . . 4821 1 804 . 1 1 85 85 TYR HE2 H 1 5.865 0.02 . 3 . . . . . . . . 4821 1 805 . 1 1 85 85 TYR HD1 H 1 7.396 0.02 . 3 . . . . . . . . 4821 1 806 . 1 1 85 85 TYR HD2 H 1 7.389 0.02 . 3 . . . . . . . . 4821 1 807 . 1 1 85 85 TYR C C 13 172.261 0.08 . 1 . . . . . . . . 4821 1 808 . 1 1 86 86 SER N N 15 110.256 0.02 . 1 . . . . . . . . 4821 1 809 . 1 1 86 86 SER H H 1 7.836 0.02 . 1 . . . . . . . . 4821 1 810 . 1 1 86 86 SER CA C 13 56.778 0.08 . 1 . . . . . . . . 4821 1 811 . 1 1 86 86 SER HA H 1 4.978 0.02 . 1 . . . . . . . . 4821 1 812 . 1 1 86 86 SER CB C 13 65.143 0.08 . 1 . . . . . . . . 4821 1 813 . 1 1 86 86 SER HB2 H 1 3.865 0.02 . 1 . . . . . . . . 4821 1 814 . 1 1 86 86 SER HB3 H 1 3.865 0.02 . 1 . . . . . . . . 4821 1 815 . 1 1 86 86 SER C C 13 171.328 0.08 . 1 . . . . . . . . 4821 1 816 . 1 1 87 87 HIS N N 15 116.984 0.02 . 1 . . . . . . . . 4821 1 817 . 1 1 87 87 HIS H H 1 9.029 0.02 . 1 . . . . . . . . 4821 1 818 . 1 1 87 87 HIS CA C 13 56.579 0.08 . 1 . . . . . . . . 4821 1 819 . 1 1 87 87 HIS HA H 1 4.443 0.02 . 1 . . . . . . . . 4821 1 820 . 1 1 87 87 HIS CB C 13 30.188 0.08 . 1 . . . . . . . . 4821 1 821 . 1 1 87 87 HIS HB2 H 1 3.154 0.02 . 2 . . . . . . . . 4821 1 822 . 1 1 87 87 HIS HB3 H 1 3.162 0.02 . 2 . . . . . . . . 4821 1 823 . 1 1 88 88 PRO CD C 13 48.084 0.08 . 1 . . . . . . . . 4821 1 824 . 1 1 88 88 PRO CA C 13 63.594 0.08 . 1 . . . . . . . . 4821 1 825 . 1 1 88 88 PRO HA H 1 4.313 0.02 . 1 . . . . . . . . 4821 1 826 . 1 1 88 88 PRO CB C 13 26.321 0.08 . 1 . . . . . . . . 4821 1 827 . 1 1 88 88 PRO HB2 H 1 1.672 0.02 . 1 . . . . . . . . 4821 1 828 . 1 1 88 88 PRO HB3 H 1 2.407 0.02 . 1 . . . . . . . . 4821 1 829 . 1 1 88 88 PRO CG C 13 30.625 0.08 . 1 . . . . . . . . 4821 1 830 . 1 1 88 88 PRO HG2 H 1 1.923 0.02 . 1 . . . . . . . . 4821 1 831 . 1 1 88 88 PRO HG3 H 1 1.923 0.02 . 1 . . . . . . . . 4821 1 832 . 1 1 88 88 PRO HD2 H 1 3.312 0.02 . 1 . . . . . . . . 4821 1 833 . 1 1 88 88 PRO HD3 H 1 3.312 0.02 . 1 . . . . . . . . 4821 1 834 . 1 1 88 88 PRO C C 13 176.477 0.08 . 1 . . . . . . . . 4821 1 835 . 1 1 89 89 GLU N N 15 121.673 0.02 . 1 . . . . . . . . 4821 1 836 . 1 1 89 89 GLU H H 1 11.724 0.02 . 1 . . . . . . . . 4821 1 837 . 1 1 89 89 GLU CA C 13 53.286 0.08 . 1 . . . . . . . . 4821 1 838 . 1 1 89 89 GLU HA H 1 4.457 0.02 . 1 . . . . . . . . 4821 1 839 . 1 1 89 89 GLU CB C 13 26.894 0.08 . 1 . . . . . . . . 4821 1 840 . 1 1 89 89 GLU HB2 H 1 1.731 0.02 . 1 . . . . . . . . 4821 1 841 . 1 1 89 89 GLU HB3 H 1 2.355 0.02 . 1 . . . . . . . . 4821 1 842 . 1 1 89 89 GLU CG C 13 34.823 0.08 . 1 . . . . . . . . 4821 1 843 . 1 1 89 89 GLU HG2 H 1 1.739 0.02 . 1 . . . . . . . . 4821 1 844 . 1 1 89 89 GLU HG3 H 1 1.739 0.02 . 1 . . . . . . . . 4821 1 845 . 1 1 89 89 GLU C C 13 174.214 0.08 . 1 . . . . . . . . 4821 1 846 . 1 1 90 90 ALA N N 15 127.361 0.02 . 1 . . . . . . . . 4821 1 847 . 1 1 90 90 ALA H H 1 8.333 0.02 . 1 . . . . . . . . 4821 1 848 . 1 1 90 90 ALA CA C 13 53.003 0.08 . 1 . . . . . . . . 4821 1 849 . 1 1 90 90 ALA HA H 1 3.887 0.02 . 1 . . . . . . . . 4821 1 850 . 1 1 90 90 ALA HB1 H 1 1.405 0.02 . 1 . . . . . . . . 4821 1 851 . 1 1 90 90 ALA HB2 H 1 1.405 0.02 . 1 . . . . . . . . 4821 1 852 . 1 1 90 90 ALA HB3 H 1 1.405 0.02 . 1 . . . . . . . . 4821 1 853 . 1 1 90 90 ALA CB C 13 16.222 0.08 . 1 . . . . . . . . 4821 1 854 . 1 1 90 90 ALA C C 13 177.977 0.08 . 1 . . . . . . . . 4821 1 855 . 1 1 91 91 GLN N N 15 117.744 0.02 . 1 . . . . . . . . 4821 1 856 . 1 1 91 91 GLN H H 1 9.176 0.02 . 1 . . . . . . . . 4821 1 857 . 1 1 91 91 GLN CA C 13 55.885 0.08 . 1 . . . . . . . . 4821 1 858 . 1 1 91 91 GLN HA H 1 4.149 0.02 . 1 . . . . . . . . 4821 1 859 . 1 1 91 91 GLN CB C 13 25.108 0.08 . 1 . . . . . . . . 4821 1 860 . 1 1 91 91 GLN HB2 H 1 1.949 0.02 . 1 . . . . . . . . 4821 1 861 . 1 1 91 91 GLN HB3 H 1 1.949 0.02 . 1 . . . . . . . . 4821 1 862 . 1 1 91 91 GLN CG C 13 31.361 0.08 . 1 . . . . . . . . 4821 1 863 . 1 1 91 91 GLN C C 13 174.497 0.08 . 1 . . . . . . . . 4821 1 864 . 1 1 92 92 ARG N N 15 117.754 0.02 . 1 . . . . . . . . 4821 1 865 . 1 1 92 92 ARG H H 1 8.142 0.02 . 1 . . . . . . . . 4821 1 866 . 1 1 92 92 ARG CA C 13 54.423 0.08 . 1 . . . . . . . . 4821 1 867 . 1 1 92 92 ARG HA H 1 3.912 0.02 . 1 . . . . . . . . 4821 1 868 . 1 1 92 92 ARG CB C 13 26.245 0.08 . 1 . . . . . . . . 4821 1 869 . 1 1 92 92 ARG HB2 H 1 1.009 0.02 . 1 . . . . . . . . 4821 1 870 . 1 1 92 92 ARG HB3 H 1 1.009 0.02 . 1 . . . . . . . . 4821 1 871 . 1 1 92 92 ARG CG C 13 34.741 0.08 . 1 . . . . . . . . 4821 1 872 . 1 1 92 92 ARG HG2 H 1 1.380 0.02 . 1 . . . . . . . . 4821 1 873 . 1 1 92 92 ARG HG3 H 1 1.380 0.02 . 1 . . . . . . . . 4821 1 874 . 1 1 92 92 ARG CD C 13 39.644 0.08 . 1 . . . . . . . . 4821 1 875 . 1 1 92 92 ARG HD2 H 1 2.181 0.02 . 1 . . . . . . . . 4821 1 876 . 1 1 92 92 ARG HD3 H 1 2.137 0.02 . 1 . . . . . . . . 4821 1 877 . 1 1 92 92 ARG C C 13 175.855 0.08 . 1 . . . . . . . . 4821 1 878 . 1 1 93 93 ILE N N 15 122.609 0.02 . 1 . . . . . . . . 4821 1 879 . 1 1 93 93 ILE H H 1 7.332 0.02 . 1 . . . . . . . . 4821 1 880 . 1 1 93 93 ILE CA C 13 62.457 0.08 . 1 . . . . . . . . 4821 1 881 . 1 1 93 93 ILE HA H 1 3.318 0.02 . 1 . . . . . . . . 4821 1 882 . 1 1 93 93 ILE CB C 13 35.659 0.08 . 1 . . . . . . . . 4821 1 883 . 1 1 93 93 ILE HB H 1 1.706 0.02 . 1 . . . . . . . . 4821 1 884 . 1 1 93 93 ILE HG21 H 1 0.923 0.02 . 1 . . . . . . . . 4821 1 885 . 1 1 93 93 ILE HG22 H 1 0.923 0.02 . 1 . . . . . . . . 4821 1 886 . 1 1 93 93 ILE HG23 H 1 0.923 0.02 . 1 . . . . . . . . 4821 1 887 . 1 1 93 93 ILE CG2 C 13 15.033 0.08 . 1 . . . . . . . . 4821 1 888 . 1 1 93 93 ILE CG1 C 13 28.188 0.08 . 1 . . . . . . . . 4821 1 889 . 1 1 93 93 ILE HG12 H 1 1.736 0.02 . 1 . . . . . . . . 4821 1 890 . 1 1 93 93 ILE HG13 H 1 1.736 0.02 . 1 . . . . . . . . 4821 1 891 . 1 1 93 93 ILE HD11 H 1 0.643 0.02 . 1 . . . . . . . . 4821 1 892 . 1 1 93 93 ILE HD12 H 1 0.643 0.02 . 1 . . . . . . . . 4821 1 893 . 1 1 93 93 ILE HD13 H 1 0.643 0.02 . 1 . . . . . . . . 4821 1 894 . 1 1 93 93 ILE CD1 C 13 11.704 0.08 . 1 . . . . . . . . 4821 1 895 . 1 1 93 93 ILE C C 13 175.402 0.08 . 1 . . . . . . . . 4821 1 896 . 1 1 94 94 GLY N N 15 115.578 0.02 . 1 . . . . . . . . 4821 1 897 . 1 1 94 94 GLY H H 1 10.014 0.02 . 1 . . . . . . . . 4821 1 898 . 1 1 94 94 GLY CA C 13 43.217 0.08 . 1 . . . . . . . . 4821 1 899 . 1 1 94 94 GLY HA2 H 1 4.337 0.02 . 1 . . . . . . . . 4821 1 900 . 1 1 94 94 GLY HA3 H 1 3.252 0.02 . 1 . . . . . . . . 4821 1 901 . 1 1 94 94 GLY C C 13 170.847 0.08 . 1 . . . . . . . . 4821 1 902 . 1 1 95 95 GLN N N 15 118.089 0.02 . 1 . . . . . . . . 4821 1 903 . 1 1 95 95 GLN H H 1 7.591 0.02 . 1 . . . . . . . . 4821 1 904 . 1 1 95 95 GLN CA C 13 50.814 0.08 . 1 . . . . . . . . 4821 1 905 . 1 1 95 95 GLN HA H 1 4.783 0.02 . 1 . . . . . . . . 4821 1 906 . 1 1 95 95 GLN CB C 13 26.534 0.08 . 1 . . . . . . . . 4821 1 907 . 1 1 95 95 GLN HB2 H 1 1.692 0.02 . 1 . . . . . . . . 4821 1 908 . 1 1 95 95 GLN HB3 H 1 1.692 0.02 . 1 . . . . . . . . 4821 1 909 . 1 1 95 95 GLN HG2 H 1 2.247 0.02 . 1 . . . . . . . . 4821 1 910 . 1 1 95 95 GLN HG3 H 1 2.247 0.02 . 1 . . . . . . . . 4821 1 911 . 1 1 95 95 GLN NE2 N 15 113.083 0.02 . 1 . . . . . . . . 4821 1 912 . 1 1 95 95 GLN HE21 H 1 7.382 0.02 . 1 . . . . . . . . 4821 1 913 . 1 1 95 95 GLN HE22 H 1 6.643 0.02 . 1 . . . . . . . . 4821 1 914 . 1 1 96 96 PRO CD C 13 49.226 0.08 . 1 . . . . . . . . 4821 1 915 . 1 1 96 96 PRO CA C 13 62.219 0.08 . 1 . . . . . . . . 4821 1 916 . 1 1 96 96 PRO HA H 1 4.352 0.02 . 1 . . . . . . . . 4821 1 917 . 1 1 96 96 PRO CB C 13 30.386 0.08 . 1 . . . . . . . . 4821 1 918 . 1 1 96 96 PRO HB2 H 1 2.307 0.02 . 1 . . . . . . . . 4821 1 919 . 1 1 96 96 PRO HB3 H 1 2.307 0.02 . 1 . . . . . . . . 4821 1 920 . 1 1 96 96 PRO CG C 13 26.563 0.08 . 1 . . . . . . . . 4821 1 921 . 1 1 96 96 PRO HG2 H 1 1.872 0.02 . 1 . . . . . . . . 4821 1 922 . 1 1 96 96 PRO HG3 H 1 1.997 0.02 . 1 . . . . . . . . 4821 1 923 . 1 1 96 96 PRO HD2 H 1 3.778 0.02 . 1 . . . . . . . . 4821 1 924 . 1 1 96 96 PRO HD3 H 1 3.778 0.02 . 1 . . . . . . . . 4821 1 925 . 1 1 96 96 PRO C C 13 175.742 0.08 . 1 . . . . . . . . 4821 1 926 . 1 1 97 97 PHE N N 15 120.325 0.02 . 1 . . . . . . . . 4821 1 927 . 1 1 97 97 PHE H H 1 8.545 0.02 . 1 . . . . . . . . 4821 1 928 . 1 1 97 97 PHE CA C 13 50.363 0.08 . 1 . . . . . . . . 4821 1 929 . 1 1 97 97 PHE HA H 1 4.708 0.02 . 1 . . . . . . . . 4821 1 930 . 1 1 97 97 PHE CB C 13 40.375 0.08 . 1 . . . . . . . . 4821 1 931 . 1 1 97 97 PHE HB2 H 1 2.815 0.02 . 1 . . . . . . . . 4821 1 932 . 1 1 97 97 PHE HB3 H 1 2.815 0.02 . 1 . . . . . . . . 4821 1 933 . 1 1 97 97 PHE C C 13 171.497 0.08 . 1 . . . . . . . . 4821 1 934 . 1 1 98 98 LYS N N 15 117.153 0.02 . 1 . . . . . . . . 4821 1 935 . 1 1 98 98 LYS H H 1 8.441 0.02 . 1 . . . . . . . . 4821 1 936 . 1 1 98 98 LYS CA C 13 53.611 0.08 . 1 . . . . . . . . 4821 1 937 . 1 1 98 98 LYS HA H 1 4.916 0.02 . 1 . . . . . . . . 4821 1 938 . 1 1 98 98 LYS CB C 13 32.010 0.08 . 1 . . . . . . . . 4821 1 939 . 1 1 98 98 LYS HB2 H 1 1.740 0.02 . 1 . . . . . . . . 4821 1 940 . 1 1 98 98 LYS HB3 H 1 1.601 0.02 . 1 . . . . . . . . 4821 1 941 . 1 1 98 98 LYS HG2 H 1 1.354 0.02 . 1 . . . . . . . . 4821 1 942 . 1 1 98 98 LYS HG3 H 1 1.354 0.02 . 1 . . . . . . . . 4821 1 943 . 1 1 98 98 LYS HD2 H 1 1.529 0.02 . 1 . . . . . . . . 4821 1 944 . 1 1 98 98 LYS HD3 H 1 1.529 0.02 . 1 . . . . . . . . 4821 1 945 . 1 1 98 98 LYS CE C 13 42.063 0.08 . 1 . . . . . . . . 4821 1 946 . 1 1 98 98 LYS HE2 H 1 3.140 0.02 . 1 . . . . . . . . 4821 1 947 . 1 1 98 98 LYS HE3 H 1 3.140 0.02 . 1 . . . . . . . . 4821 1 948 . 1 1 98 98 LYS C C 13 171.214 0.08 . 1 . . . . . . . . 4821 1 949 . 1 1 99 99 GLY N N 15 115.309 0.02 . 1 . . . . . . . . 4821 1 950 . 1 1 99 99 GLY H H 1 8.270 0.02 . 1 . . . . . . . . 4821 1 951 . 1 1 99 99 GLY CA C 13 43.054 0.08 . 1 . . . . . . . . 4821 1 952 . 1 1 99 99 GLY HA2 H 1 4.271 0.02 . 1 . . . . . . . . 4821 1 953 . 1 1 99 99 GLY HA3 H 1 3.576 0.02 . 1 . . . . . . . . 4821 1 954 . 1 1 99 99 GLY C C 13 173.195 0.08 . 1 . . . . . . . . 4821 1 955 . 1 1 100 100 ASP N N 15 128.201 0.02 . 1 . . . . . . . . 4821 1 956 . 1 1 100 100 ASP H H 1 8.893 0.02 . 1 . . . . . . . . 4821 1 957 . 1 1 100 100 ASP CA C 13 53.443 0.08 . 1 . . . . . . . . 4821 1 958 . 1 1 100 100 ASP HA H 1 4.475 0.02 . 1 . . . . . . . . 4821 1 959 . 1 1 100 100 ASP CB C 13 38.096 0.08 . 1 . . . . . . . . 4821 1 960 . 1 1 100 100 ASP HB2 H 1 2.752 0.02 . 1 . . . . . . . . 4821 1 961 . 1 1 100 100 ASP HB3 H 1 2.752 0.02 . 1 . . . . . . . . 4821 1 962 . 1 1 100 100 ASP C C 13 175.317 0.08 . 1 . . . . . . . . 4821 1 963 . 1 1 101 101 ASP N N 15 119.730 0.02 . 1 . . . . . . . . 4821 1 964 . 1 1 101 101 ASP H H 1 10.380 0.02 . 1 . . . . . . . . 4821 1 965 . 1 1 101 101 ASP CA C 13 52.474 0.08 . 1 . . . . . . . . 4821 1 966 . 1 1 101 101 ASP HA H 1 3.918 0.02 . 1 . . . . . . . . 4821 1 967 . 1 1 101 101 ASP CB C 13 35.096 0.08 . 1 . . . . . . . . 4821 1 968 . 1 1 101 101 ASP HB2 H 1 2.684 0.02 . 1 . . . . . . . . 4821 1 969 . 1 1 101 101 ASP HB3 H 1 2.365 0.02 . 1 . . . . . . . . 4821 1 970 . 1 1 101 101 ASP C C 13 174.214 0.08 . 1 . . . . . . . . 4821 1 971 . 1 1 102 102 ILE N N 15 115.532 0.02 . 1 . . . . . . . . 4821 1 972 . 1 1 102 102 ILE H H 1 6.555 0.02 . 1 . . . . . . . . 4821 1 973 . 1 1 102 102 ILE CA C 13 60.270 0.08 . 1 . . . . . . . . 4821 1 974 . 1 1 102 102 ILE HA H 1 2.861 0.02 . 1 . . . . . . . . 4821 1 975 . 1 1 102 102 ILE CB C 13 36.396 0.08 . 1 . . . . . . . . 4821 1 976 . 1 1 102 102 ILE HB H 1 0.995 0.02 . 1 . . . . . . . . 4821 1 977 . 1 1 102 102 ILE HG21 H 1 0.715 0.02 . 1 . . . . . . . . 4821 1 978 . 1 1 102 102 ILE HG22 H 1 0.715 0.02 . 1 . . . . . . . . 4821 1 979 . 1 1 102 102 ILE HG23 H 1 0.715 0.02 . 1 . . . . . . . . 4821 1 980 . 1 1 102 102 ILE CG2 C 13 13.658 0.08 . 1 . . . . . . . . 4821 1 981 . 1 1 102 102 ILE CG1 C 13 28.732 0.08 . 1 . . . . . . . . 4821 1 982 . 1 1 102 102 ILE HG12 H 1 0.702 0.02 . 1 . . . . . . . . 4821 1 983 . 1 1 102 102 ILE HG13 H 1 0.702 0.02 . 1 . . . . . . . . 4821 1 984 . 1 1 102 102 ILE HD11 H 1 0.035 0.02 . 1 . . . . . . . . 4821 1 985 . 1 1 102 102 ILE HD12 H 1 0.035 0.02 . 1 . . . . . . . . 4821 1 986 . 1 1 102 102 ILE HD13 H 1 0.035 0.02 . 1 . . . . . . . . 4821 1 987 . 1 1 102 102 ILE CD1 C 13 10.978 0.08 . 1 . . . . . . . . 4821 1 988 . 1 1 102 102 ILE C C 13 175.091 0.08 . 1 . . . . . . . . 4821 1 989 . 1 1 103 103 LEU N N 15 122.341 0.02 . 1 . . . . . . . . 4821 1 990 . 1 1 103 103 LEU H H 1 7.183 0.02 . 1 . . . . . . . . 4821 1 991 . 1 1 103 103 LEU CA C 13 57.028 0.08 . 1 . . . . . . . . 4821 1 992 . 1 1 103 103 LEU HA H 1 3.678 0.02 . 1 . . . . . . . . 4821 1 993 . 1 1 103 103 LEU CB C 13 38.574 0.08 . 1 . . . . . . . . 4821 1 994 . 1 1 103 103 LEU HB2 H 1 1.750 0.02 . 1 . . . . . . . . 4821 1 995 . 1 1 103 103 LEU HB3 H 1 1.630 0.02 . 1 . . . . . . . . 4821 1 996 . 1 1 103 103 LEU CG C 13 25.927 0.08 . 1 . . . . . . . . 4821 1 997 . 1 1 103 103 LEU HG H 1 1.335 0.02 . 1 . . . . . . . . 4821 1 998 . 1 1 103 103 LEU HD11 H 1 0.917 0.02 . 2 . . . . . . . . 4821 1 999 . 1 1 103 103 LEU HD12 H 1 0.917 0.02 . 2 . . . . . . . . 4821 1 1000 . 1 1 103 103 LEU HD13 H 1 0.917 0.02 . 2 . . . . . . . . 4821 1 1001 . 1 1 103 103 LEU HD21 H 1 0.787 0.02 . 2 . . . . . . . . 4821 1 1002 . 1 1 103 103 LEU HD22 H 1 0.787 0.02 . 2 . . . . . . . . 4821 1 1003 . 1 1 103 103 LEU HD23 H 1 0.787 0.02 . 2 . . . . . . . . 4821 1 1004 . 1 1 103 103 LEU CD1 C 13 23.149 0.08 . 1 . . . . . . . . 4821 1 1005 . 1 1 103 103 LEU CD2 C 13 20.810 0.08 . 1 . . . . . . . . 4821 1 1006 . 1 1 103 103 LEU C C 13 178.458 0.08 . 1 . . . . . . . . 4821 1 1007 . 1 1 104 104 LYS N N 15 117.382 0.02 . 1 . . . . . . . . 4821 1 1008 . 1 1 104 104 LYS H H 1 7.698 0.02 . 1 . . . . . . . . 4821 1 1009 . 1 1 104 104 LYS CA C 13 57.672 0.08 . 1 . . . . . . . . 4821 1 1010 . 1 1 104 104 LYS HA H 1 3.875 0.02 . 1 . . . . . . . . 4821 1 1011 . 1 1 104 104 LYS CB C 13 31.523 0.08 . 1 . . . . . . . . 4821 1 1012 . 1 1 104 104 LYS HB2 H 1 1.401 0.02 . 1 . . . . . . . . 4821 1 1013 . 1 1 104 104 LYS HB3 H 1 1.401 0.02 . 1 . . . . . . . . 4821 1 1014 . 1 1 104 104 LYS CG C 13 23.484 0.08 . 1 . . . . . . . . 4821 1 1015 . 1 1 104 104 LYS HG2 H 1 1.211 0.02 . 1 . . . . . . . . 4821 1 1016 . 1 1 104 104 LYS HG3 H 1 1.211 0.02 . 1 . . . . . . . . 4821 1 1017 . 1 1 104 104 LYS CD C 13 27.219 0.08 . 1 . . . . . . . . 4821 1 1018 . 1 1 104 104 LYS HD2 H 1 1.530 0.02 . 1 . . . . . . . . 4821 1 1019 . 1 1 104 104 LYS HD3 H 1 1.530 0.02 . 1 . . . . . . . . 4821 1 1020 . 1 1 104 104 LYS CE C 13 40.293 0.08 . 1 . . . . . . . . 4821 1 1021 . 1 1 104 104 LYS HE2 H 1 2.917 0.02 . 1 . . . . . . . . 4821 1 1022 . 1 1 104 104 LYS HE3 H 1 2.917 0.02 . 1 . . . . . . . . 4821 1 1023 . 1 1 104 104 LYS C C 13 176.789 0.08 . 1 . . . . . . . . 4821 1 1024 . 1 1 105 105 ALA N N 15 119.997 0.02 . 1 . . . . . . . . 4821 1 1025 . 1 1 105 105 ALA H H 1 6.489 0.02 . 1 . . . . . . . . 4821 1 1026 . 1 1 105 105 ALA CA C 13 51.337 0.08 . 1 . . . . . . . . 4821 1 1027 . 1 1 105 105 ALA HA H 1 5.178 0.02 . 1 . . . . . . . . 4821 1 1028 . 1 1 105 105 ALA HB1 H 1 1.080 0.02 . 1 . . . . . . . . 4821 1 1029 . 1 1 105 105 ALA HB2 H 1 1.080 0.02 . 1 . . . . . . . . 4821 1 1030 . 1 1 105 105 ALA HB3 H 1 1.080 0.02 . 1 . . . . . . . . 4821 1 1031 . 1 1 105 105 ALA CB C 13 17.881 0.08 . 1 . . . . . . . . 4821 1 1032 . 1 1 105 105 ALA C C 13 179.760 0.08 . 1 . . . . . . . . 4821 1 1033 . 1 1 106 106 LEU N N 15 121.438 0.02 . 1 . . . . . . . . 4821 1 1034 . 1 1 106 106 LEU H H 1 7.784 0.02 . 1 . . . . . . . . 4821 1 1035 . 1 1 106 106 LEU CA C 13 55.154 0.08 . 1 . . . . . . . . 4821 1 1036 . 1 1 106 106 LEU HA H 1 3.842 0.02 . 1 . . . . . . . . 4821 1 1037 . 1 1 106 106 LEU CB C 13 39.644 0.08 . 1 . . . . . . . . 4821 1 1038 . 1 1 106 106 LEU HB2 H 1 1.795 0.02 . 1 . . . . . . . . 4821 1 1039 . 1 1 106 106 LEU HB3 H 1 1.379 0.02 . 1 . . . . . . . . 4821 1 1040 . 1 1 106 106 LEU CG C 13 24.864 0.08 . 1 . . . . . . . . 4821 1 1041 . 1 1 106 106 LEU HG H 1 2.620 0.02 . 1 . . . . . . . . 4821 1 1042 . 1 1 106 106 LEU HD11 H 1 0.736 0.02 . 2 . . . . . . . . 4821 1 1043 . 1 1 106 106 LEU HD12 H 1 0.736 0.02 . 2 . . . . . . . . 4821 1 1044 . 1 1 106 106 LEU HD13 H 1 0.736 0.02 . 2 . . . . . . . . 4821 1 1045 . 1 1 106 106 LEU CD1 C 13 21.378 0.08 . 1 . . . . . . . . 4821 1 1046 . 1 1 106 106 LEU CD2 C 13 20.992 0.08 . 1 . . . . . . . . 4821 1 1047 . 1 1 106 106 LEU C C 13 174.355 0.08 . 1 . . . . . . . . 4821 1 1048 . 1 1 107 107 ASN N N 15 115.665 0.02 . 1 . . . . . . . . 4821 1 1049 . 1 1 107 107 ASN H H 1 7.166 0.02 . 1 . . . . . . . . 4821 1 1050 . 1 1 107 107 ASN CA C 13 50.850 0.08 . 1 . . . . . . . . 4821 1 1051 . 1 1 107 107 ASN HA H 1 4.882 0.02 . 1 . . . . . . . . 4821 1 1052 . 1 1 107 107 ASN CB C 13 38.101 0.08 . 1 . . . . . . . . 4821 1 1053 . 1 1 107 107 ASN HB2 H 1 3.065 0.02 . 1 . . . . . . . . 4821 1 1054 . 1 1 107 107 ASN HB3 H 1 2.550 0.02 . 1 . . . . . . . . 4821 1 1055 . 1 1 107 107 ASN ND2 N 15 113.619 0.02 . 1 . . . . . . . . 4821 1 1056 . 1 1 107 107 ASN HD21 H 1 7.492 0.02 . 1 . . . . . . . . 4821 1 1057 . 1 1 107 107 ASN HD22 H 1 6.742 0.02 . 1 . . . . . . . . 4821 1 1058 . 1 1 107 107 ASN C C 13 174.242 0.08 . 1 . . . . . . . . 4821 1 1059 . 1 1 108 108 GLY N N 15 107.333 0.02 . 1 . . . . . . . . 4821 1 1060 . 1 1 108 108 GLY H H 1 7.622 0.02 . 1 . . . . . . . . 4821 1 1061 . 1 1 108 108 GLY CA C 13 44.332 0.08 . 1 . . . . . . . . 4821 1 1062 . 1 1 108 108 GLY HA2 H 1 4.159 0.02 . 1 . . . . . . . . 4821 1 1063 . 1 1 108 108 GLY HA3 H 1 3.677 0.02 . 1 . . . . . . . . 4821 1 1064 . 1 1 108 108 GLY C C 13 172.120 0.08 . 1 . . . . . . . . 4821 1 1065 . 1 1 109 109 GLU N N 15 119.461 0.02 . 1 . . . . . . . . 4821 1 1066 . 1 1 109 109 GLU H H 1 7.511 0.02 . 1 . . . . . . . . 4821 1 1067 . 1 1 109 109 GLU CA C 13 53.049 0.08 . 1 . . . . . . . . 4821 1 1068 . 1 1 109 109 GLU HA H 1 5.054 0.02 . 1 . . . . . . . . 4821 1 1069 . 1 1 109 109 GLU CB C 13 31.264 0.08 . 1 . . . . . . . . 4821 1 1070 . 1 1 109 109 GLU HB2 H 1 1.735 0.02 . 1 . . . . . . . . 4821 1 1071 . 1 1 109 109 GLU HB3 H 1 2.252 0.02 . 1 . . . . . . . . 4821 1 1072 . 1 1 109 109 GLU CG C 13 34.914 0.08 . 1 . . . . . . . . 4821 1 1073 . 1 1 109 109 GLU HG2 H 1 2.136 0.02 . 2 . . . . . . . . 4821 1 1074 . 1 1 109 109 GLU HG3 H 1 2.164 0.02 . 2 . . . . . . . . 4821 1 1075 . 1 1 109 109 GLU C C 13 173.474 0.08 . 1 . . . . . . . . 4821 1 1076 . 1 1 110 110 GLU N N 15 116.393 0.02 . 1 . . . . . . . . 4821 1 1077 . 1 1 110 110 GLU H H 1 8.174 0.02 . 1 . . . . . . . . 4821 1 1078 . 1 1 110 110 GLU CA C 13 54.657 0.08 . 1 . . . . . . . . 4821 1 1079 . 1 1 110 110 GLU HA H 1 4.638 0.02 . 1 . . . . . . . . 4821 1 1080 . 1 1 110 110 GLU CB C 13 30.194 0.08 . 1 . . . . . . . . 4821 1 1081 . 1 1 110 110 GLU HB2 H 1 2.028 0.02 . 1 . . . . . . . . 4821 1 1082 . 1 1 110 110 GLU HB3 H 1 2.028 0.02 . 1 . . . . . . . . 4821 1 1083 . 1 1 110 110 GLU CG C 13 36.089 0.08 . 1 . . . . . . . . 4821 1 1084 . 1 1 110 110 GLU HG2 H 1 2.300 0.02 . 2 . . . . . . . . 4821 1 1085 . 1 1 110 110 GLU HG3 H 1 2.310 0.02 . 2 . . . . . . . . 4821 1 1086 . 1 1 110 110 GLU C C 13 172.348 0.08 . 1 . . . . . . . . 4821 1 1087 . 1 1 111 111 ASN N N 15 121.815 0.02 . 1 . . . . . . . . 4821 1 1088 . 1 1 111 111 ASN H H 1 8.052 0.02 . 1 . . . . . . . . 4821 1 1089 . 1 1 111 111 ASN CA C 13 50.119 0.08 . 1 . . . . . . . . 4821 1 1090 . 1 1 111 111 ASN HA H 1 5.296 0.02 . 1 . . . . . . . . 4821 1 1091 . 1 1 111 111 ASN CB C 13 40.537 0.08 . 1 . . . . . . . . 4821 1 1092 . 1 1 111 111 ASN HB2 H 1 2.389 0.02 . 1 . . . . . . . . 4821 1 1093 . 1 1 111 111 ASN HB3 H 1 2.228 0.02 . 1 . . . . . . . . 4821 1 1094 . 1 1 111 111 ASN HD21 H 1 6.801 0.02 . 1 . . . . . . . . 4821 1 1095 . 1 1 111 111 ASN C C 13 171.016 0.08 . 1 . . . . . . . . 4821 1 1096 . 1 1 112 112 VAL N N 15 123.949 0.02 . 1 . . . . . . . . 4821 1 1097 . 1 1 112 112 VAL H H 1 7.493 0.02 . 1 . . . . . . . . 4821 1 1098 . 1 1 112 112 VAL CA C 13 59.783 0.08 . 1 . . . . . . . . 4821 1 1099 . 1 1 112 112 VAL HA H 1 5.335 0.02 . 1 . . . . . . . . 4821 1 1100 . 1 1 112 112 VAL CB C 13 33.635 0.08 . 1 . . . . . . . . 4821 1 1101 . 1 1 112 112 VAL HB H 1 1.959 0.02 . 1 . . . . . . . . 4821 1 1102 . 1 1 112 112 VAL HG11 H 1 0.992 0.02 . 2 . . . . . . . . 4821 1 1103 . 1 1 112 112 VAL HG12 H 1 0.992 0.02 . 2 . . . . . . . . 4821 1 1104 . 1 1 112 112 VAL HG13 H 1 0.992 0.02 . 2 . . . . . . . . 4821 1 1105 . 1 1 112 112 VAL HG21 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 1106 . 1 1 112 112 VAL HG22 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 1107 . 1 1 112 112 VAL HG23 H 1 0.877 0.02 . 2 . . . . . . . . 4821 1 1108 . 1 1 112 112 VAL CG1 C 13 19.424 0.08 . 1 . . . . . . . . 4821 1 1109 . 1 1 112 112 VAL CG2 C 13 19.202 0.08 . 1 . . . . . . . . 4821 1 1110 . 1 1 112 112 VAL C C 13 173.195 0.08 . 1 . . . . . . . . 4821 1 1111 . 1 1 113 113 ALA N N 15 131.178 0.02 . 1 . . . . . . . . 4821 1 1112 . 1 1 113 113 ALA H H 1 9.909 0.02 . 1 . . . . . . . . 4821 1 1113 . 1 1 113 113 ALA CA C 13 50.363 0.08 . 1 . . . . . . . . 4821 1 1114 . 1 1 113 113 ALA HA H 1 4.717 0.02 . 1 . . . . . . . . 4821 1 1115 . 1 1 113 113 ALA HB1 H 1 1.638 0.02 . 1 . . . . . . . . 4821 1 1116 . 1 1 113 113 ALA HB2 H 1 1.638 0.02 . 1 . . . . . . . . 4821 1 1117 . 1 1 113 113 ALA HB3 H 1 1.638 0.02 . 1 . . . . . . . . 4821 1 1118 . 1 1 113 113 ALA CB C 13 22.428 0.08 . 1 . . . . . . . . 4821 1 1119 . 1 1 113 113 ALA C C 13 173.450 0.08 . 1 . . . . . . . . 4821 1 1120 . 1 1 114 114 ILE N N 15 120.147 0.02 . 1 . . . . . . . . 4821 1 1121 . 1 1 114 114 ILE H H 1 8.371 0.02 . 1 . . . . . . . . 4821 1 1122 . 1 1 114 114 ILE CA C 13 58.565 0.08 . 1 . . . . . . . . 4821 1 1123 . 1 1 114 114 ILE HA H 1 5.279 0.02 . 1 . . . . . . . . 4821 1 1124 . 1 1 114 114 ILE CB C 13 37.045 0.08 . 1 . . . . . . . . 4821 1 1125 . 1 1 114 114 ILE HB H 1 1.706 0.02 . 1 . . . . . . . . 4821 1 1126 . 1 1 114 114 ILE HG21 H 1 0.778 0.02 . 1 . . . . . . . . 4821 1 1127 . 1 1 114 114 ILE HG22 H 1 0.778 0.02 . 1 . . . . . . . . 4821 1 1128 . 1 1 114 114 ILE HG23 H 1 0.778 0.02 . 1 . . . . . . . . 4821 1 1129 . 1 1 114 114 ILE CG2 C 13 16.257 0.08 . 1 . . . . . . . . 4821 1 1130 . 1 1 114 114 ILE CG1 C 13 26.651 0.08 . 1 . . . . . . . . 4821 1 1131 . 1 1 114 114 ILE HG12 H 1 0.642 0.02 . 1 . . . . . . . . 4821 1 1132 . 1 1 114 114 ILE HG13 H 1 0.642 0.02 . 1 . . . . . . . . 4821 1 1133 . 1 1 114 114 ILE HD11 H 1 0.775 0.02 . 1 . . . . . . . . 4821 1 1134 . 1 1 114 114 ILE HD12 H 1 0.775 0.02 . 1 . . . . . . . . 4821 1 1135 . 1 1 114 114 ILE HD13 H 1 0.775 0.02 . 1 . . . . . . . . 4821 1 1136 . 1 1 114 114 ILE CD1 C 13 11.628 0.08 . 1 . . . . . . . . 4821 1 1137 . 1 1 114 114 ILE C C 13 174.808 0.08 . 1 . . . . . . . . 4821 1 1138 . 1 1 115 115 ASN N N 15 125.489 0.02 . 1 . . . . . . . . 4821 1 1139 . 1 1 115 115 ASN H H 1 8.822 0.02 . 1 . . . . . . . . 4821 1 1140 . 1 1 115 115 ASN CA C 13 49.921 0.08 . 1 . . . . . . . . 4821 1 1141 . 1 1 115 115 ASN HA H 1 4.974 0.02 . 1 . . . . . . . . 4821 1 1142 . 1 1 115 115 ASN CB C 13 39.933 0.08 . 1 . . . . . . . . 4821 1 1143 . 1 1 115 115 ASN HB2 H 1 2.848 0.02 . 1 . . . . . . . . 4821 1 1144 . 1 1 115 115 ASN HB3 H 1 2.821 0.02 . 1 . . . . . . . . 4821 1 1145 . 1 1 115 115 ASN C C 13 178.490 0.08 . 1 . . . . . . . . 4821 1 1146 . 1 1 116 116 ARG N N 15 112.042 0.02 . 1 . . . . . . . . 4821 1 1147 . 1 1 116 116 ARG H H 1 7.252 0.02 . 1 . . . . . . . . 4821 1 1148 . 1 1 116 116 ARG CA C 13 53.268 0.08 . 1 . . . . . . . . 4821 1 1149 . 1 1 116 116 ARG HA H 1 4.909 0.02 . 1 . . . . . . . . 4821 1 1150 . 1 1 116 116 ARG CB C 13 31.995 0.08 . 1 . . . . . . . . 4821 1 1151 . 1 1 116 116 ARG HB2 H 1 1.716 0.02 . 1 . . . . . . . . 4821 1 1152 . 1 1 116 116 ARG HB3 H 1 1.716 0.02 . 1 . . . . . . . . 4821 1 1153 . 1 1 116 116 ARG CG C 13 22.561 0.08 . 1 . . . . . . . . 4821 1 1154 . 1 1 116 116 ARG CD C 13 42.668 0.08 . 1 . . . . . . . . 4821 1 1155 . 1 1 116 116 ARG C C 13 172.476 0.08 . 1 . . . . . . . . 4821 1 1156 . 1 1 117 117 GLY N N 15 113.917 0.02 . 1 . . . . . . . . 4821 1 1157 . 1 1 117 117 GLY H H 1 7.055 0.02 . 1 . . . . . . . . 4821 1 1158 . 1 1 117 117 GLY CA C 13 43.293 0.08 . 1 . . . . . . . . 4821 1 1159 . 1 1 117 117 GLY HA2 H 1 3.728 0.02 . 1 . . . . . . . . 4821 1 1160 . 1 1 117 117 GLY HA3 H 1 3.934 0.02 . 1 . . . . . . . . 4821 1 1161 . 1 1 117 117 GLY C C 13 175.496 0.08 . 1 . . . . . . . . 4821 1 1162 . 1 1 118 118 PHE N N 15 126.313 0.02 . 1 . . . . . . . . 4821 1 1163 . 1 1 118 118 PHE H H 1 9.240 0.02 . 1 . . . . . . . . 4821 1 1164 . 1 1 118 118 PHE CA C 13 56.119 0.08 . 1 . . . . . . . . 4821 1 1165 . 1 1 118 118 PHE HA H 1 4.322 0.02 . 1 . . . . . . . . 4821 1 1166 . 1 1 118 118 PHE CB C 13 38.867 0.08 . 1 . . . . . . . . 4821 1 1167 . 1 1 118 118 PHE HB2 H 1 3.169 0.02 . 1 . . . . . . . . 4821 1 1168 . 1 1 118 118 PHE HB3 H 1 3.169 0.02 . 1 . . . . . . . . 4821 1 1169 . 1 1 118 118 PHE C C 13 175.650 0.08 . 1 . . . . . . . . 4821 1 1170 . 1 1 119 119 LEU N N 15 126.165 0.02 . 1 . . . . . . . . 4821 1 1171 . 1 1 119 119 LEU H H 1 10.206 0.02 . 1 . . . . . . . . 4821 1 1172 . 1 1 119 119 LEU CA C 13 51.337 0.08 . 1 . . . . . . . . 4821 1 1173 . 1 1 119 119 LEU HA H 1 4.567 0.02 . 1 . . . . . . . . 4821 1 1174 . 1 1 119 119 LEU CB C 13 40.862 0.08 . 1 . . . . . . . . 4821 1 1175 . 1 1 119 119 LEU HB2 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1176 . 1 1 119 119 LEU HB3 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1177 . 1 1 119 119 LEU CG C 13 28.813 0.08 . 1 . . . . . . . . 4821 1 1178 . 1 1 119 119 LEU HG H 1 1.863 0.02 . 1 . . . . . . . . 4821 1 1179 . 1 1 119 119 LEU HD11 H 1 0.869 0.02 . 2 . . . . . . . . 4821 1 1180 . 1 1 119 119 LEU HD12 H 1 0.869 0.02 . 2 . . . . . . . . 4821 1 1181 . 1 1 119 119 LEU HD13 H 1 0.869 0.02 . 2 . . . . . . . . 4821 1 1182 . 1 1 119 119 LEU HD21 H 1 0.583 0.02 . 2 . . . . . . . . 4821 1 1183 . 1 1 119 119 LEU HD22 H 1 0.583 0.02 . 2 . . . . . . . . 4821 1 1184 . 1 1 119 119 LEU HD23 H 1 0.583 0.02 . 2 . . . . . . . . 4821 1 1185 . 1 1 119 119 LEU CD1 C 13 24.997 0.08 . 1 . . . . . . . . 4821 1 1186 . 1 1 120 120 ALA N N 15 118.475 0.02 . 1 . . . . . . . . 4821 1 1187 . 1 1 120 120 ALA H H 1 7.275 0.02 . 1 . . . . . . . . 4821 1 1188 . 1 1 120 120 ALA CA C 13 50.282 0.08 . 1 . . . . . . . . 4821 1 1189 . 1 1 120 120 ALA HA H 1 4.106 0.02 . 1 . . . . . . . . 4821 1 1190 . 1 1 120 120 ALA HB1 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1191 . 1 1 120 120 ALA HB2 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1192 . 1 1 120 120 ALA HB3 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1193 . 1 1 120 120 ALA CB C 13 18.936 0.08 . 1 . . . . . . . . 4821 1 1194 . 1 1 120 120 ALA C C 13 173.931 0.08 . 1 . . . . . . . . 4821 1 1195 . 1 1 121 121 GLN N N 15 117.855 0.02 . 1 . . . . . . . . 4821 1 1196 . 1 1 121 121 GLN H H 1 8.308 0.02 . 1 . . . . . . . . 4821 1 1197 . 1 1 121 121 GLN CA C 13 56.210 0.08 . 1 . . . . . . . . 4821 1 1198 . 1 1 121 121 GLN HA H 1 4.021 0.02 . 1 . . . . . . . . 4821 1 1199 . 1 1 121 121 GLN CB C 13 26.732 0.08 . 1 . . . . . . . . 4821 1 1200 . 1 1 121 121 GLN HB2 H 1 1.895 0.02 . 1 . . . . . . . . 4821 1 1201 . 1 1 121 121 GLN HB3 H 1 1.895 0.02 . 1 . . . . . . . . 4821 1 1202 . 1 1 121 121 GLN CG C 13 32.092 0.08 . 1 . . . . . . . . 4821 1 1203 . 1 1 121 121 GLN HG2 H 1 2.170 0.02 . 2 . . . . . . . . 4821 1 1204 . 1 1 121 121 GLN HG3 H 1 2.182 0.02 . 2 . . . . . . . . 4821 1 1205 . 1 1 121 121 GLN NE2 N 15 110.942 0.02 . 1 . . . . . . . . 4821 1 1206 . 1 1 121 121 GLN HE21 H 1 6.771 0.02 . 1 . . . . . . . . 4821 1 1207 . 1 1 121 121 GLN HE22 H 1 7.162 0.02 . 1 . . . . . . . . 4821 1 1208 . 1 1 121 121 GLN C C 13 174.978 0.08 . 1 . . . . . . . . 4821 1 1209 . 1 1 122 122 ALA N N 15 129.299 0.02 . 1 . . . . . . . . 4821 1 1210 . 1 1 122 122 ALA H H 1 8.885 0.02 . 1 . . . . . . . . 4821 1 1211 . 1 1 122 122 ALA CA C 13 49.434 0.08 . 1 . . . . . . . . 4821 1 1212 . 1 1 122 122 ALA HA H 1 5.120 0.02 . 1 . . . . . . . . 4821 1 1213 . 1 1 122 122 ALA HB1 H 1 1.273 0.02 . 1 . . . . . . . . 4821 1 1214 . 1 1 122 122 ALA HB2 H 1 1.273 0.02 . 1 . . . . . . . . 4821 1 1215 . 1 1 122 122 ALA HB3 H 1 1.273 0.02 . 1 . . . . . . . . 4821 1 1216 . 1 1 122 122 ALA CB C 13 20.931 0.08 . 1 . . . . . . . . 4821 1 1217 . 1 1 122 122 ALA C C 13 173.648 0.08 . 1 . . . . . . . . 4821 1 1218 . 1 1 123 123 LEU N N 15 123.243 0.02 . 1 . . . . . . . . 4821 1 1219 . 1 1 123 123 LEU H H 1 8.565 0.02 . 1 . . . . . . . . 4821 1 1220 . 1 1 123 123 LEU CA C 13 52.925 0.08 . 1 . . . . . . . . 4821 1 1221 . 1 1 123 123 LEU HA H 1 4.711 0.02 . 1 . . . . . . . . 4821 1 1222 . 1 1 123 123 LEU CB C 13 41.836 0.08 . 1 . . . . . . . . 4821 1 1223 . 1 1 123 123 LEU HB2 H 1 1.822 0.02 . 1 . . . . . . . . 4821 1 1224 . 1 1 123 123 LEU HB3 H 1 1.822 0.02 . 1 . . . . . . . . 4821 1 1225 . 1 1 123 123 LEU CG C 13 24.621 0.08 . 1 . . . . . . . . 4821 1 1226 . 1 1 123 123 LEU HG H 1 1.300 0.02 . 1 . . . . . . . . 4821 1 1227 . 1 1 123 123 LEU HD11 H 1 0.847 0.02 . 2 . . . . . . . . 4821 1 1228 . 1 1 123 123 LEU HD12 H 1 0.847 0.02 . 2 . . . . . . . . 4821 1 1229 . 1 1 123 123 LEU HD13 H 1 0.847 0.02 . 2 . . . . . . . . 4821 1 1230 . 1 1 123 123 LEU HD21 H 1 0.949 0.02 . 2 . . . . . . . . 4821 1 1231 . 1 1 123 123 LEU HD22 H 1 0.949 0.02 . 2 . . . . . . . . 4821 1 1232 . 1 1 123 123 LEU HD23 H 1 0.949 0.02 . 2 . . . . . . . . 4821 1 1233 . 1 1 123 123 LEU CD1 C 13 22.915 0.08 . 1 . . . . . . . . 4821 1 1234 . 1 1 123 123 LEU CD2 C 13 22.479 0.08 . 1 . . . . . . . . 4821 1 1235 . 1 1 124 124 ARG N N 15 129.631 0.02 . 1 . . . . . . . . 4821 1 1236 . 1 1 124 124 ARG H H 1 9.663 0.02 . 1 . . . . . . . . 4821 1 1237 . 1 1 124 124 ARG CA C 13 53.205 0.08 . 1 . . . . . . . . 4821 1 1238 . 1 1 124 124 ARG HA H 1 5.178 0.02 . 1 . . . . . . . . 4821 1 1239 . 1 1 124 124 ARG CB C 13 31.523 0.08 . 1 . . . . . . . . 4821 1 1240 . 1 1 124 124 ARG HB2 H 1 1.761 0.02 . 1 . . . . . . . . 4821 1 1241 . 1 1 124 124 ARG HB3 H 1 1.761 0.02 . 1 . . . . . . . . 4821 1 1242 . 1 1 124 124 ARG CG C 13 25.595 0.08 . 1 . . . . . . . . 4821 1 1243 . 1 1 124 124 ARG HG2 H 1 1.736 0.02 . 1 . . . . . . . . 4821 1 1244 . 1 1 124 124 ARG HG3 H 1 1.781 0.02 . 1 . . . . . . . . 4821 1 1245 . 1 1 124 124 ARG CD C 13 43.867 0.08 . 1 . . . . . . . . 4821 1 1246 . 1 1 124 124 ARG HD2 H 1 3.755 0.02 . 1 . . . . . . . . 4821 1 1247 . 1 1 124 124 ARG HD3 H 1 3.635 0.02 . 1 . . . . . . . . 4821 1 1248 . 1 1 124 124 ARG C C 13 172.686 0.08 . 1 . . . . . . . . 4821 1 1249 . 1 1 125 125 VAL N N 15 114.039 0.02 . 1 . . . . . . . . 4821 1 1250 . 1 1 125 125 VAL H H 1 8.882 0.02 . 1 . . . . . . . . 4821 1 1251 . 1 1 125 125 VAL CA C 13 56.046 0.08 . 1 . . . . . . . . 4821 1 1252 . 1 1 125 125 VAL HA H 1 5.529 0.02 . 1 . . . . . . . . 4821 1 1253 . 1 1 125 125 VAL CB C 13 31.776 0.08 . 1 . . . . . . . . 4821 1 1254 . 1 1 125 125 VAL HB H 1 1.992 0.02 . 1 . . . . . . . . 4821 1 1255 . 1 1 125 125 VAL HG11 H 1 0.950 0.02 . 2 . . . . . . . . 4821 1 1256 . 1 1 125 125 VAL HG12 H 1 0.950 0.02 . 2 . . . . . . . . 4821 1 1257 . 1 1 125 125 VAL HG13 H 1 0.950 0.02 . 2 . . . . . . . . 4821 1 1258 . 1 1 125 125 VAL HG21 H 1 0.554 0.02 . 2 . . . . . . . . 4821 1 1259 . 1 1 125 125 VAL HG22 H 1 0.554 0.02 . 2 . . . . . . . . 4821 1 1260 . 1 1 125 125 VAL HG23 H 1 0.554 0.02 . 2 . . . . . . . . 4821 1 1261 . 1 1 125 125 VAL CG1 C 13 19.129 0.08 . 1 . . . . . . . . 4821 1 1262 . 1 1 125 125 VAL CG2 C 13 17.886 0.08 . 1 . . . . . . . . 4821 1 1263 . 1 1 125 125 VAL C C 13 172.403 0.08 . 1 . . . . . . . . 4821 1 1264 . 1 1 126 126 PHE N N 15 117.555 0.02 . 1 . . . . . . . . 4821 1 1265 . 1 1 126 126 PHE H H 1 8.524 0.02 . 1 . . . . . . . . 4821 1 1266 . 1 1 126 126 PHE CA C 13 53.737 0.08 . 1 . . . . . . . . 4821 1 1267 . 1 1 126 126 PHE HA H 1 5.618 0.02 . 1 . . . . . . . . 4821 1 1268 . 1 1 126 126 PHE CB C 13 42.856 0.08 . 1 . . . . . . . . 4821 1 1269 . 1 1 126 126 PHE HB2 H 1 2.518 0.02 . 1 . . . . . . . . 4821 1 1270 . 1 1 126 126 PHE HB3 H 1 2.518 0.02 . 1 . . . . . . . . 4821 1 1271 . 1 1 126 126 PHE HZ H 1 8.047 0.02 . 1 . . . . . . . . 4821 1 1272 . 1 1 126 126 PHE HD1 H 1 6.973 0.02 . 3 . . . . . . . . 4821 1 1273 . 1 1 126 126 PHE HD2 H 1 6.949 0.02 . 3 . . . . . . . . 4821 1 1274 . 1 1 126 126 PHE HE1 H 1 6.782 0.02 . 3 . . . . . . . . 4821 1 1275 . 1 1 126 126 PHE HE2 H 1 6.774 0.02 . 3 . . . . . . . . 4821 1 1276 . 1 1 126 126 PHE C C 13 174.100 0.08 . 1 . . . . . . . . 4821 1 1277 . 1 1 127 127 THR N N 15 114.869 0.02 . 1 . . . . . . . . 4821 1 1278 . 1 1 127 127 THR H H 1 8.770 0.02 . 1 . . . . . . . . 4821 1 1279 . 1 1 127 127 THR CA C 13 56.661 0.08 . 1 . . . . . . . . 4821 1 1280 . 1 1 127 127 THR HA H 1 5.265 0.02 . 1 . . . . . . . . 4821 1 1281 . 1 1 127 127 THR CB C 13 69.409 0.08 . 1 . . . . . . . . 4821 1 1282 . 1 1 127 127 THR HB H 1 3.863 0.02 . 1 . . . . . . . . 4821 1 1283 . 1 1 127 127 THR HG21 H 1 0.984 0.02 . 1 . . . . . . . . 4821 1 1284 . 1 1 127 127 THR HG22 H 1 0.984 0.02 . 1 . . . . . . . . 4821 1 1285 . 1 1 127 127 THR HG23 H 1 0.984 0.02 . 1 . . . . . . . . 4821 1 1286 . 1 1 127 127 THR CG2 C 13 19.813 0.08 . 1 . . . . . . . . 4821 1 1287 . 1 1 128 128 PRO CD C 13 51.013 0.08 . 1 . . . . . . . . 4821 1 1288 . 1 1 128 128 PRO CA C 13 61.245 0.08 . 1 . . . . . . . . 4821 1 1289 . 1 1 128 128 PRO HA H 1 4.620 0.02 . 1 . . . . . . . . 4821 1 1290 . 1 1 128 128 PRO CB C 13 31.929 0.08 . 1 . . . . . . . . 4821 1 1291 . 1 1 128 128 PRO HB2 H 1 1.784 0.02 . 1 . . . . . . . . 4821 1 1292 . 1 1 128 128 PRO HB3 H 1 1.302 0.02 . 1 . . . . . . . . 4821 1 1293 . 1 1 128 128 PRO CG C 13 25.676 0.08 . 1 . . . . . . . . 4821 1 1294 . 1 1 128 128 PRO HG2 H 1 1.939 0.02 . 1 . . . . . . . . 4821 1 1295 . 1 1 128 128 PRO HG3 H 1 1.939 0.02 . 1 . . . . . . . . 4821 1 1296 . 1 1 128 128 PRO HD2 H 1 3.617 0.02 . 1 . . . . . . . . 4821 1 1297 . 1 1 128 128 PRO HD3 H 1 3.617 0.02 . 1 . . . . . . . . 4821 1 1298 . 1 1 128 128 PRO C C 13 172.035 0.08 . 1 . . . . . . . . 4821 1 1299 . 1 1 129 129 ILE N N 15 118.041 0.02 . 1 . . . . . . . . 4821 1 1300 . 1 1 129 129 ILE H H 1 7.518 0.02 . 1 . . . . . . . . 4821 1 1301 . 1 1 129 129 ILE CA C 13 58.646 0.08 . 1 . . . . . . . . 4821 1 1302 . 1 1 129 129 ILE HA H 1 4.159 0.02 . 1 . . . . . . . . 4821 1 1303 . 1 1 129 129 ILE CB C 13 38.309 0.08 . 1 . . . . . . . . 4821 1 1304 . 1 1 129 129 ILE HB H 1 0.982 0.02 . 1 . . . . . . . . 4821 1 1305 . 1 1 129 129 ILE HG21 H 1 0.652 0.02 . 1 . . . . . . . . 4821 1 1306 . 1 1 129 129 ILE HG22 H 1 0.652 0.02 . 1 . . . . . . . . 4821 1 1307 . 1 1 129 129 ILE HG23 H 1 0.652 0.02 . 1 . . . . . . . . 4821 1 1308 . 1 1 129 129 ILE CG2 C 13 15.444 0.08 . 1 . . . . . . . . 4821 1 1309 . 1 1 129 129 ILE CG1 C 13 25.758 0.08 . 1 . . . . . . . . 4821 1 1310 . 1 1 129 129 ILE HG12 H 1 0.761 0.02 . 1 . . . . . . . . 4821 1 1311 . 1 1 129 129 ILE HG13 H 1 0.761 0.02 . 1 . . . . . . . . 4821 1 1312 . 1 1 129 129 ILE HD11 H 1 0.687 0.02 . 1 . . . . . . . . 4821 1 1313 . 1 1 129 129 ILE HD12 H 1 0.687 0.02 . 1 . . . . . . . . 4821 1 1314 . 1 1 129 129 ILE HD13 H 1 0.687 0.02 . 1 . . . . . . . . 4821 1 1315 . 1 1 129 129 ILE CD1 C 13 14.308 0.08 . 1 . . . . . . . . 4821 1 1316 . 1 1 129 129 ILE C C 13 173.421 0.08 . 1 . . . . . . . . 4821 1 1317 . 1 1 130 130 TYR N N 15 127.530 0.02 . 1 . . . . . . . . 4821 1 1318 . 1 1 130 130 TYR H H 1 9.327 0.02 . 1 . . . . . . . . 4821 1 1319 . 1 1 130 130 TYR CA C 13 55.235 0.08 . 1 . . . . . . . . 4821 1 1320 . 1 1 130 130 TYR HA H 1 5.135 0.02 . 1 . . . . . . . . 4821 1 1321 . 1 1 130 130 TYR CB C 13 40.781 0.08 . 1 . . . . . . . . 4821 1 1322 . 1 1 130 130 TYR HB2 H 1 2.690 0.02 . 1 . . . . . . . . 4821 1 1323 . 1 1 130 130 TYR HB3 H 1 2.690 0.02 . 1 . . . . . . . . 4821 1 1324 . 1 1 130 130 TYR HE1 H 1 6.570 0.02 . 3 . . . . . . . . 4821 1 1325 . 1 1 130 130 TYR HE2 H 1 6.558 0.02 . 3 . . . . . . . . 4821 1 1326 . 1 1 130 130 TYR HD1 H 1 7.475 0.02 . 1 . . . . . . . . 4821 1 1327 . 1 1 130 130 TYR HD2 H 1 7.475 0.02 . 1 . . . . . . . . 4821 1 1328 . 1 1 130 130 TYR C C 13 174.157 0.08 . 1 . . . . . . . . 4821 1 1329 . 1 1 131 131 ASP N N 15 119.629 0.02 . 1 . . . . . . . . 4821 1 1330 . 1 1 131 131 ASP H H 1 8.822 0.02 . 1 . . . . . . . . 4821 1 1331 . 1 1 131 131 ASP CA C 13 50.363 0.08 . 1 . . . . . . . . 4821 1 1332 . 1 1 131 131 ASP HA H 1 4.539 0.02 . 1 . . . . . . . . 4821 1 1333 . 1 1 131 131 ASP CB C 13 39.400 0.08 . 1 . . . . . . . . 4821 1 1334 . 1 1 131 131 ASP HB2 H 1 2.707 0.02 . 1 . . . . . . . . 4821 1 1335 . 1 1 131 131 ASP HB3 H 1 3.286 0.02 . 1 . . . . . . . . 4821 1 1336 . 1 1 131 131 ASP C C 13 176.873 0.08 . 1 . . . . . . . . 4821 1 1337 . 1 1 132 132 GLU N N 15 117.922 0.02 . 1 . . . . . . . . 4821 1 1338 . 1 1 132 132 GLU H H 1 9.442 0.02 . 1 . . . . . . . . 4821 1 1339 . 1 1 132 132 GLU CA C 13 57.103 0.08 . 1 . . . . . . . . 4821 1 1340 . 1 1 132 132 GLU HA H 1 4.052 0.02 . 1 . . . . . . . . 4821 1 1341 . 1 1 132 132 GLU CB C 13 27.138 0.08 . 1 . . . . . . . . 4821 1 1342 . 1 1 132 132 GLU HB2 H 1 2.003 0.02 . 1 . . . . . . . . 4821 1 1343 . 1 1 132 132 GLU HB3 H 1 2.003 0.02 . 1 . . . . . . . . 4821 1 1344 . 1 1 132 132 GLU CG C 13 34.284 0.08 . 1 . . . . . . . . 4821 1 1345 . 1 1 132 132 GLU HG2 H 1 2.380 0.02 . 1 . . . . . . . . 4821 1 1346 . 1 1 132 132 GLU HG3 H 1 2.380 0.02 . 1 . . . . . . . . 4821 1 1347 . 1 1 132 132 GLU C C 13 175.147 0.08 . 1 . . . . . . . . 4821 1 1348 . 1 1 133 133 ASN N N 15 118.557 0.02 . 1 . . . . . . . . 4821 1 1349 . 1 1 133 133 ASN H H 1 8.434 0.02 . 1 . . . . . . . . 4821 1 1350 . 1 1 133 133 ASN CA C 13 51.094 0.08 . 1 . . . . . . . . 4821 1 1351 . 1 1 133 133 ASN HA H 1 4.867 0.02 . 1 . . . . . . . . 4821 1 1352 . 1 1 133 133 ASN CB C 13 37.532 0.08 . 1 . . . . . . . . 4821 1 1353 . 1 1 133 133 ASN HB2 H 1 2.947 0.02 . 1 . . . . . . . . 4821 1 1354 . 1 1 133 133 ASN HB3 H 1 2.690 0.02 . 1 . . . . . . . . 4821 1 1355 . 1 1 133 133 ASN ND2 N 15 115.760 0.02 . 1 . . . . . . . . 4821 1 1356 . 1 1 133 133 ASN HD21 H 1 7.872 0.02 . 1 . . . . . . . . 4821 1 1357 . 1 1 133 133 ASN HD22 H 1 6.921 0.02 . 1 . . . . . . . . 4821 1 1358 . 1 1 133 133 ASN C C 13 173.223 0.08 . 1 . . . . . . . . 4821 1 1359 . 1 1 134 134 HIS N N 15 116.637 0.02 . 1 . . . . . . . . 4821 1 1360 . 1 1 134 134 HIS H H 1 8.339 0.02 . 1 . . . . . . . . 4821 1 1361 . 1 1 134 134 HIS CA C 13 56.697 0.08 . 1 . . . . . . . . 4821 1 1362 . 1 1 134 134 HIS HA H 1 3.752 0.02 . 1 . . . . . . . . 4821 1 1363 . 1 1 134 134 HIS CB C 13 25.839 0.08 . 1 . . . . . . . . 4821 1 1364 . 1 1 134 134 HIS HB2 H 1 3.494 0.02 . 1 . . . . . . . . 4821 1 1365 . 1 1 134 134 HIS HB3 H 1 3.001 0.02 . 1 . . . . . . . . 4821 1 1366 . 1 1 134 134 HIS HD2 H 1 6.580 0.02 . 1 . . . . . . . . 4821 1 1367 . 1 1 134 134 HIS C C 13 171.639 0.08 . 1 . . . . . . . . 4821 1 1368 . 1 1 135 135 LYS N N 15 121.591 0.02 . 1 . . . . . . . . 4821 1 1369 . 1 1 135 135 LYS H H 1 8.557 0.02 . 1 . . . . . . . . 4821 1 1370 . 1 1 135 135 LYS CA C 13 53.368 0.08 . 1 . . . . . . . . 4821 1 1371 . 1 1 135 135 LYS HA H 1 4.575 0.02 . 1 . . . . . . . . 4821 1 1372 . 1 1 135 135 LYS CB C 13 31.036 0.08 . 1 . . . . . . . . 4821 1 1373 . 1 1 135 135 LYS HB3 H 1 1.845 0.02 . 1 . . . . . . . . 4821 1 1374 . 1 1 135 135 LYS HB2 H 1 1.834 0.02 . 2 . . . . . . . . 4821 1 1375 . 1 1 135 135 LYS CG C 13 22.997 0.08 . 1 . . . . . . . . 4821 1 1376 . 1 1 135 135 LYS HG2 H 1 1.300 0.02 . 1 . . . . . . . . 4821 1 1377 . 1 1 135 135 LYS HG3 H 1 1.300 0.02 . 1 . . . . . . . . 4821 1 1378 . 1 1 135 135 LYS CD C 13 27.382 0.08 . 1 . . . . . . . . 4821 1 1379 . 1 1 135 135 LYS HD2 H 1 1.623 0.02 . 1 . . . . . . . . 4821 1 1380 . 1 1 135 135 LYS HD3 H 1 1.623 0.02 . 1 . . . . . . . . 4821 1 1381 . 1 1 135 135 LYS CE C 13 40.781 0.08 . 1 . . . . . . . . 4821 1 1382 . 1 1 135 135 LYS HE2 H 1 2.987 0.02 . 1 . . . . . . . . 4821 1 1383 . 1 1 135 135 LYS HE3 H 1 2.987 0.02 . 1 . . . . . . . . 4821 1 1384 . 1 1 135 135 LYS C C 13 175.232 0.08 . 1 . . . . . . . . 4821 1 1385 . 1 1 136 136 GLN N N 15 128.671 0.02 . 1 . . . . . . . . 4821 1 1386 . 1 1 136 136 GLN H H 1 9.196 0.02 . 1 . . . . . . . . 4821 1 1387 . 1 1 136 136 GLN CA C 13 55.885 0.08 . 1 . . . . . . . . 4821 1 1388 . 1 1 136 136 GLN HA H 1 4.243 0.02 . 1 . . . . . . . . 4821 1 1389 . 1 1 136 136 GLN CB C 13 24.910 0.08 . 1 . . . . . . . . 4821 1 1390 . 1 1 136 136 GLN HB2 H 1 1.817 0.02 . 1 . . . . . . . . 4821 1 1391 . 1 1 136 136 GLN HB3 H 1 1.817 0.02 . 1 . . . . . . . . 4821 1 1392 . 1 1 136 136 GLN CG C 13 33.229 0.08 . 1 . . . . . . . . 4821 1 1393 . 1 1 136 136 GLN HG2 H 1 0.981 0.02 . 1 . . . . . . . . 4821 1 1394 . 1 1 136 136 GLN HG3 H 1 0.863 0.02 . 1 . . . . . . . . 4821 1 1395 . 1 1 136 136 GLN NE2 N 15 108.534 0.02 . 1 . . . . . . . . 4821 1 1396 . 1 1 136 136 GLN HE21 H 1 6.477 0.02 . 1 . . . . . . . . 4821 1 1397 . 1 1 136 136 GLN HE22 H 1 7.734 0.02 . 1 . . . . . . . . 4821 1 1398 . 1 1 136 136 GLN C C 13 175.204 0.08 . 1 . . . . . . . . 4821 1 1399 . 1 1 137 137 ILE N N 15 118.392 0.02 . 1 . . . . . . . . 4821 1 1400 . 1 1 137 137 ILE H H 1 8.927 0.02 . 1 . . . . . . . . 4821 1 1401 . 1 1 137 137 ILE CA C 13 59.783 0.08 . 1 . . . . . . . . 4821 1 1402 . 1 1 137 137 ILE HA H 1 4.510 0.02 . 1 . . . . . . . . 4821 1 1403 . 1 1 137 137 ILE CB C 13 38.669 0.08 . 1 . . . . . . . . 4821 1 1404 . 1 1 137 137 ILE HB H 1 2.047 0.02 . 1 . . . . . . . . 4821 1 1405 . 1 1 137 137 ILE HG21 H 1 0.939 0.02 . 1 . . . . . . . . 4821 1 1406 . 1 1 137 137 ILE HG22 H 1 0.939 0.02 . 1 . . . . . . . . 4821 1 1407 . 1 1 137 137 ILE HG23 H 1 0.939 0.02 . 1 . . . . . . . . 4821 1 1408 . 1 1 137 137 ILE CG1 C 13 16.581 0.08 . 1 . . . . . . . . 4821 1 1409 . 1 1 137 137 ILE HG12 H 1 0.790 0.02 . 1 . . . . . . . . 4821 1 1410 . 1 1 137 137 ILE HG13 H 1 0.790 0.02 . 1 . . . . . . . . 4821 1 1411 . 1 1 137 137 ILE HD11 H 1 0.872 0.02 . 1 . . . . . . . . 4821 1 1412 . 1 1 137 137 ILE HD12 H 1 0.872 0.02 . 1 . . . . . . . . 4821 1 1413 . 1 1 137 137 ILE HD13 H 1 0.872 0.02 . 1 . . . . . . . . 4821 1 1414 . 1 1 137 137 ILE CD1 C 13 13.089 0.08 . 1 . . . . . . . . 4821 1 1415 . 1 1 137 137 ILE C C 13 173.704 0.08 . 1 . . . . . . . . 4821 1 1416 . 1 1 138 138 GLY N N 15 109.115 0.02 . 1 . . . . . . . . 4821 1 1417 . 1 1 138 138 GLY H H 1 7.377 0.02 . 1 . . . . . . . . 4821 1 1418 . 1 1 138 138 GLY CA C 13 45.085 0.08 . 1 . . . . . . . . 4821 1 1419 . 1 1 138 138 GLY HA2 H 1 4.602 0.02 . 1 . . . . . . . . 4821 1 1420 . 1 1 138 138 GLY HA3 H 1 3.567 0.02 . 1 . . . . . . . . 4821 1 1421 . 1 1 138 138 GLY C C 13 170.733 0.08 . 1 . . . . . . . . 4821 1 1422 . 1 1 139 139 VAL N N 15 124.410 0.02 . 1 . . . . . . . . 4821 1 1423 . 1 1 139 139 VAL H H 1 8.653 0.02 . 1 . . . . . . . . 4821 1 1424 . 1 1 139 139 VAL CA C 13 60.270 0.08 . 1 . . . . . . . . 4821 1 1425 . 1 1 139 139 VAL HA H 1 4.422 0.02 . 1 . . . . . . . . 4821 1 1426 . 1 1 139 139 VAL CB C 13 35.827 0.08 . 1 . . . . . . . . 4821 1 1427 . 1 1 139 139 VAL HB H 1 2.117 0.02 . 1 . . . . . . . . 4821 1 1428 . 1 1 139 139 VAL HG11 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1429 . 1 1 139 139 VAL HG12 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1430 . 1 1 139 139 VAL HG13 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1431 . 1 1 139 139 VAL HG21 H 1 0.497 0.02 . 2 . . . . . . . . 4821 1 1432 . 1 1 139 139 VAL HG22 H 1 0.497 0.02 . 2 . . . . . . . . 4821 1 1433 . 1 1 139 139 VAL HG23 H 1 0.497 0.02 . 2 . . . . . . . . 4821 1 1434 . 1 1 139 139 VAL CG1 C 13 21.048 0.08 . 1 . . . . . . . . 4821 1 1435 . 1 1 139 139 VAL CG2 C 13 20.883 0.08 . 1 . . . . . . . . 4821 1 1436 . 1 1 139 139 VAL C C 13 172.516 0.08 . 1 . . . . . . . . 4821 1 1437 . 1 1 140 140 VAL N N 15 124.049 0.02 . 1 . . . . . . . . 4821 1 1438 . 1 1 140 140 VAL H H 1 8.912 0.02 . 1 . . . . . . . . 4821 1 1439 . 1 1 140 140 VAL CA C 13 61.163 0.08 . 1 . . . . . . . . 4821 1 1440 . 1 1 140 140 VAL HA H 1 4.345 0.02 . 1 . . . . . . . . 4821 1 1441 . 1 1 140 140 VAL CB C 13 31.848 0.08 . 1 . . . . . . . . 4821 1 1442 . 1 1 140 140 VAL HB H 1 2.003 0.02 . 1 . . . . . . . . 4821 1 1443 . 1 1 140 140 VAL HG11 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 1444 . 1 1 140 140 VAL HG12 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 1445 . 1 1 140 140 VAL HG13 H 1 0.840 0.02 . 2 . . . . . . . . 4821 1 1446 . 1 1 140 140 VAL HG21 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1447 . 1 1 140 140 VAL HG22 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1448 . 1 1 140 140 VAL HG23 H 1 0.795 0.02 . 2 . . . . . . . . 4821 1 1449 . 1 1 140 140 VAL CG1 C 13 20.398 0.08 . 1 . . . . . . . . 4821 1 1450 . 1 1 140 140 VAL CG2 C 13 19.586 0.08 . 1 . . . . . . . . 4821 1 1451 . 1 1 140 140 VAL C C 13 171.130 0.08 . 1 . . . . . . . . 4821 1 1452 . 1 1 141 141 ALA N N 15 131.818 0.02 . 1 . . . . . . . . 4821 1 1453 . 1 1 141 141 ALA H H 1 9.095 0.02 . 1 . . . . . . . . 4821 1 1454 . 1 1 141 141 ALA CA C 13 47.440 0.08 . 1 . . . . . . . . 4821 1 1455 . 1 1 141 141 ALA HA H 1 5.245 0.02 . 1 . . . . . . . . 4821 1 1456 . 1 1 141 141 ALA HB1 H 1 1.216 0.02 . 1 . . . . . . . . 4821 1 1457 . 1 1 141 141 ALA HB2 H 1 1.216 0.02 . 1 . . . . . . . . 4821 1 1458 . 1 1 141 141 ALA HB3 H 1 1.216 0.02 . 1 . . . . . . . . 4821 1 1459 . 1 1 141 141 ALA CB C 13 21.697 0.08 . 1 . . . . . . . . 4821 1 1460 . 1 1 141 141 ALA C C 13 174.497 0.08 . 1 . . . . . . . . 4821 1 1461 . 1 1 142 142 ILE N N 15 123.134 0.02 . 1 . . . . . . . . 4821 1 1462 . 1 1 142 142 ILE H H 1 8.897 0.02 . 1 . . . . . . . . 4821 1 1463 . 1 1 142 142 ILE CA C 13 57.716 0.08 . 1 . . . . . . . . 4821 1 1464 . 1 1 142 142 ILE HA H 1 4.392 0.02 . 1 . . . . . . . . 4821 1 1465 . 1 1 142 142 ILE CB C 13 38.471 0.08 . 1 . . . . . . . . 4821 1 1466 . 1 1 142 142 ILE HB H 1 1.362 0.02 . 1 . . . . . . . . 4821 1 1467 . 1 1 142 142 ILE HG21 H 1 0.702 0.02 . 1 . . . . . . . . 4821 1 1468 . 1 1 142 142 ILE HG22 H 1 0.702 0.02 . 1 . . . . . . . . 4821 1 1469 . 1 1 142 142 ILE HG23 H 1 0.702 0.02 . 1 . . . . . . . . 4821 1 1470 . 1 1 142 142 ILE HG12 H 1 0.909 0.02 . 1 . . . . . . . . 4821 1 1471 . 1 1 142 142 ILE HG13 H 1 0.909 0.02 . 1 . . . . . . . . 4821 1 1472 . 1 1 142 142 ILE HD11 H 1 0.619 0.02 . 1 . . . . . . . . 4821 1 1473 . 1 1 142 142 ILE HD12 H 1 0.619 0.02 . 1 . . . . . . . . 4821 1 1474 . 1 1 142 142 ILE HD13 H 1 0.619 0.02 . 1 . . . . . . . . 4821 1 1475 . 1 1 142 142 ILE CD1 C 13 11.937 0.08 . 1 . . . . . . . . 4821 1 1476 . 1 1 143 143 GLY CA C 13 42.562 0.08 . 1 . . . . . . . . 4821 1 1477 . 1 1 143 143 GLY HA2 H 1 4.967 0.02 . 1 . . . . . . . . 4821 1 1478 . 1 1 143 143 GLY HA3 H 1 2.195 0.02 . 1 . . . . . . . . 4821 1 1479 . 1 1 143 143 GLY C C 13 169.828 0.08 . 1 . . . . . . . . 4821 1 1480 . 1 1 144 144 LEU N N 15 123.780 0.02 . 1 . . . . . . . . 4821 1 1481 . 1 1 144 144 LEU H H 1 8.994 0.02 . 1 . . . . . . . . 4821 1 1482 . 1 1 144 144 LEU CA C 13 51.825 0.08 . 1 . . . . . . . . 4821 1 1483 . 1 1 144 144 LEU HA H 1 4.647 0.02 . 1 . . . . . . . . 4821 1 1484 . 1 1 144 144 LEU CB C 13 42.892 0.08 . 1 . . . . . . . . 4821 1 1485 . 1 1 144 144 LEU HB2 H 1 2.765 0.02 . 1 . . . . . . . . 4821 1 1486 . 1 1 144 144 LEU HB3 H 1 3.108 0.02 . 1 . . . . . . . . 4821 1 1487 . 1 1 144 144 LEU CG C 13 25.728 0.08 . 1 . . . . . . . . 4821 1 1488 . 1 1 144 144 LEU HG H 1 1.856 0.02 . 1 . . . . . . . . 4821 1 1489 . 1 1 144 144 LEU HD11 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 1490 . 1 1 144 144 LEU HD12 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 1491 . 1 1 144 144 LEU HD13 H 1 0.824 0.02 . 2 . . . . . . . . 4821 1 1492 . 1 1 144 144 LEU HD21 H 1 0.989 0.02 . 2 . . . . . . . . 4821 1 1493 . 1 1 144 144 LEU HD22 H 1 0.989 0.02 . 2 . . . . . . . . 4821 1 1494 . 1 1 144 144 LEU HD23 H 1 0.989 0.02 . 2 . . . . . . . . 4821 1 1495 . 1 1 144 144 LEU CD1 C 13 24.215 0.08 . 1 . . . . . . . . 4821 1 1496 . 1 1 144 144 LEU CD2 C 13 24.864 0.08 . 1 . . . . . . . . 4821 1 1497 . 1 1 144 144 LEU C C 13 173.931 0.08 . 1 . . . . . . . . 4821 1 1498 . 1 1 145 145 GLU N N 15 126.183 0.02 . 1 . . . . . . . . 4821 1 1499 . 1 1 145 145 GLU H H 1 9.348 0.02 . 1 . . . . . . . . 4821 1 1500 . 1 1 145 145 GLU CA C 13 56.697 0.08 . 1 . . . . . . . . 4821 1 1501 . 1 1 145 145 GLU HA H 1 3.943 0.02 . 1 . . . . . . . . 4821 1 1502 . 1 1 145 145 GLU CB C 13 28.843 0.08 . 1 . . . . . . . . 4821 1 1503 . 1 1 145 145 GLU HB2 H 1 2.063 0.02 . 2 . . . . . . . . 4821 1 1504 . 1 1 145 145 GLU HB3 H 1 2.083 0.02 . 2 . . . . . . . . 4821 1 1505 . 1 1 145 145 GLU CG C 13 34.690 0.08 . 1 . . . . . . . . 4821 1 1506 . 1 1 145 145 GLU HG2 H 1 3.173 0.02 . 1 . . . . . . . . 4821 1 1507 . 1 1 145 145 GLU HG3 H 1 3.173 0.02 . 1 . . . . . . . . 4821 1 1508 . 1 1 145 145 GLU C C 13 175.883 0.08 . 1 . . . . . . . . 4821 1 1509 . 1 1 146 146 LEU N N 15 130.308 0.02 . 1 . . . . . . . . 4821 1 1510 . 1 1 146 146 LEU H H 1 8.606 0.02 . 1 . . . . . . . . 4821 1 1511 . 1 1 146 146 LEU CA C 13 54.312 0.08 . 1 . . . . . . . . 4821 1 1512 . 1 1 146 146 LEU HA H 1 4.020 0.02 . 1 . . . . . . . . 4821 1 1513 . 1 1 146 146 LEU CB C 13 40.095 0.08 . 1 . . . . . . . . 4821 1 1514 . 1 1 146 146 LEU HB2 H 1 1.664 0.02 . 2 . . . . . . . . 4821 1 1515 . 1 1 146 146 LEU HB3 H 1 1.692 0.02 . 2 . . . . . . . . 4821 1 1516 . 1 1 146 146 LEU HG H 1 1.273 0.02 . 1 . . . . . . . . 4821 1 1517 . 1 1 146 146 LEU HD11 H 1 0.861 0.02 . 2 . . . . . . . . 4821 1 1518 . 1 1 146 146 LEU HD12 H 1 0.861 0.02 . 2 . . . . . . . . 4821 1 1519 . 1 1 146 146 LEU HD13 H 1 0.861 0.02 . 2 . . . . . . . . 4821 1 1520 . 1 1 146 146 LEU C C 13 177.185 0.08 . 1 . . . . . . . . 4821 1 1521 . 1 1 147 147 SER N N 15 114.285 0.02 . 1 . . . . . . . . 4821 1 1522 . 1 1 147 147 SER H H 1 8.698 0.02 . 1 . . . . . . . . 4821 1 1523 . 1 1 147 147 SER CA C 13 58.808 0.08 . 1 . . . . . . . . 4821 1 1524 . 1 1 147 147 SER HA H 1 3.891 0.02 . 1 . . . . . . . . 4821 1 1525 . 1 1 147 147 SER CB C 13 60.839 0.08 . 1 . . . . . . . . 4821 1 1526 . 1 1 147 147 SER HB2 H 1 4.209 0.02 . 1 . . . . . . . . 4821 1 1527 . 1 1 147 147 SER HB3 H 1 4.209 0.02 . 1 . . . . . . . . 4821 1 1528 . 1 1 147 147 SER C C 13 174.214 0.08 . 1 . . . . . . . . 4821 1 1529 . 1 1 148 148 ARG N N 15 120.568 0.02 . 1 . . . . . . . . 4821 1 1530 . 1 1 148 148 ARG H H 1 7.470 0.02 . 1 . . . . . . . . 4821 1 1531 . 1 1 148 148 ARG CA C 13 55.723 0.08 . 1 . . . . . . . . 4821 1 1532 . 1 1 148 148 ARG HA H 1 4.334 0.02 . 1 . . . . . . . . 4821 1 1533 . 1 1 148 148 ARG CB C 13 29.006 0.08 . 1 . . . . . . . . 4821 1 1534 . 1 1 148 148 ARG HB2 H 1 2.036 0.02 . 1 . . . . . . . . 4821 1 1535 . 1 1 148 148 ARG HB3 H 1 1.882 0.02 . 1 . . . . . . . . 4821 1 1536 . 1 1 148 148 ARG CG C 13 25.971 0.08 . 1 . . . . . . . . 4821 1 1537 . 1 1 148 148 ARG HG2 H 1 1.675 0.02 . 1 . . . . . . . . 4821 1 1538 . 1 1 148 148 ARG HG3 H 1 1.675 0.02 . 1 . . . . . . . . 4821 1 1539 . 1 1 148 148 ARG CD C 13 41.836 0.08 . 1 . . . . . . . . 4821 1 1540 . 1 1 148 148 ARG HD2 H 1 3.174 0.02 . 1 . . . . . . . . 4821 1 1541 . 1 1 148 148 ARG HD3 H 1 3.174 0.02 . 1 . . . . . . . . 4821 1 1542 . 1 1 148 148 ARG HE H 1 6.773 0.02 . 1 . . . . . . . . 4821 1 1543 . 1 1 148 148 ARG C C 13 176.025 0.08 . 1 . . . . . . . . 4821 1 1544 . 1 1 149 149 VAL N N 15 118.055 0.02 . 1 . . . . . . . . 4821 1 1545 . 1 1 149 149 VAL H H 1 7.736 0.02 . 1 . . . . . . . . 4821 1 1546 . 1 1 149 149 VAL CA C 13 61.975 0.08 . 1 . . . . . . . . 4821 1 1547 . 1 1 149 149 VAL HA H 1 3.988 0.02 . 1 . . . . . . . . 4821 1 1548 . 1 1 149 149 VAL CB C 13 30.305 0.08 . 1 . . . . . . . . 4821 1 1549 . 1 1 149 149 VAL HB H 1 2.282 0.02 . 1 . . . . . . . . 4821 1 1550 . 1 1 149 149 VAL HG11 H 1 0.945 0.02 . 2 . . . . . . . . 4821 1 1551 . 1 1 149 149 VAL HG12 H 1 0.945 0.02 . 2 . . . . . . . . 4821 1 1552 . 1 1 149 149 VAL HG13 H 1 0.945 0.02 . 2 . . . . . . . . 4821 1 1553 . 1 1 149 149 VAL HG21 H 1 0.911 0.02 . 2 . . . . . . . . 4821 1 1554 . 1 1 149 149 VAL HG22 H 1 0.911 0.02 . 2 . . . . . . . . 4821 1 1555 . 1 1 149 149 VAL HG23 H 1 0.911 0.02 . 2 . . . . . . . . 4821 1 1556 . 1 1 149 149 VAL CG1 C 13 19.830 0.08 . 1 . . . . . . . . 4821 1 1557 . 1 1 149 149 VAL CG2 C 13 19.640 0.08 . 1 . . . . . . . . 4821 1 1558 . 1 1 149 149 VAL C C 13 175.119 0.08 . 1 . . . . . . . . 4821 1 1559 . 1 1 150 150 THR N N 15 114.538 0.02 . 1 . . . . . . . . 4821 1 1560 . 1 1 150 150 THR H H 1 8.087 0.02 . 1 . . . . . . . . 4821 1 1561 . 1 1 150 150 THR CA C 13 62.300 0.08 . 1 . . . . . . . . 4821 1 1562 . 1 1 150 150 THR HA H 1 4.170 0.02 . 1 . . . . . . . . 4821 1 1563 . 1 1 150 150 THR CB C 13 67.741 0.08 . 1 . . . . . . . . 4821 1 1564 . 1 1 150 150 THR HB H 1 4.355 0.02 . 1 . . . . . . . . 4821 1 1565 . 1 1 150 150 THR HG21 H 1 1.207 0.02 . 1 . . . . . . . . 4821 1 1566 . 1 1 150 150 THR HG22 H 1 1.207 0.02 . 1 . . . . . . . . 4821 1 1567 . 1 1 150 150 THR HG23 H 1 1.207 0.02 . 1 . . . . . . . . 4821 1 1568 . 1 1 150 150 THR CG2 C 13 19.748 0.08 . 1 . . . . . . . . 4821 1 1569 . 1 1 150 150 THR C C 13 173.421 0.08 . 1 . . . . . . . . 4821 1 1570 . 1 1 151 151 GLN N N 15 121.799 0.02 . 1 . . . . . . . . 4821 1 1571 . 1 1 151 151 GLN H H 1 7.984 0.02 . 1 . . . . . . . . 4821 1 1572 . 1 1 151 151 GLN CA C 13 55.154 0.08 . 1 . . . . . . . . 4821 1 1573 . 1 1 151 151 GLN HA H 1 4.234 0.02 . 1 . . . . . . . . 4821 1 1574 . 1 1 151 151 GLN CB C 13 27.382 0.08 . 1 . . . . . . . . 4821 1 1575 . 1 1 151 151 GLN HB2 H 1 2.078 0.02 . 1 . . . . . . . . 4821 1 1576 . 1 1 151 151 GLN HB3 H 1 2.078 0.02 . 1 . . . . . . . . 4821 1 1577 . 1 1 151 151 GLN CG C 13 32.254 0.08 . 1 . . . . . . . . 4821 1 1578 . 1 1 151 151 GLN HG2 H 1 2.398 0.02 . 1 . . . . . . . . 4821 1 1579 . 1 1 151 151 GLN HG3 H 1 2.398 0.02 . 1 . . . . . . . . 4821 1 1580 . 1 1 151 151 GLN C C 13 174.666 0.08 . 1 . . . . . . . . 4821 1 1581 . 1 1 152 152 GLN N N 15 120.837 0.02 . 1 . . . . . . . . 4821 1 1582 . 1 1 152 152 GLN H H 1 8.206 0.02 . 1 . . . . . . . . 4821 1 1583 . 1 1 152 152 GLN CA C 13 54.829 0.08 . 1 . . . . . . . . 4821 1 1584 . 1 1 152 152 GLN HA H 1 4.267 0.02 . 1 . . . . . . . . 4821 1 1585 . 1 1 152 152 GLN CB C 13 27.625 0.08 . 1 . . . . . . . . 4821 1 1586 . 1 1 152 152 GLN HB2 H 1 2.024 0.02 . 1 . . . . . . . . 4821 1 1587 . 1 1 152 152 GLN HB3 H 1 2.024 0.02 . 1 . . . . . . . . 4821 1 1588 . 1 1 152 152 GLN CG C 13 32.254 0.08 . 1 . . . . . . . . 4821 1 1589 . 1 1 152 152 GLN HG2 H 1 2.349 0.02 . 2 . . . . . . . . 4821 1 1590 . 1 1 152 152 GLN HG3 H 1 2.387 0.02 . 2 . . . . . . . . 4821 1 1591 . 1 1 152 152 GLN C C 13 175.034 0.08 . 1 . . . . . . . . 4821 1 1592 . 1 1 153 153 ILE N N 15 121.137 0.02 . 1 . . . . . . . . 4821 1 1593 . 1 1 153 153 ILE H H 1 8.113 0.02 . 1 . . . . . . . . 4821 1 1594 . 1 1 153 153 ILE CA C 13 60.229 0.08 . 1 . . . . . . . . 4821 1 1595 . 1 1 153 153 ILE HA H 1 4.052 0.02 . 1 . . . . . . . . 4821 1 1596 . 1 1 153 153 ILE CB C 13 36.883 0.08 . 1 . . . . . . . . 4821 1 1597 . 1 1 153 153 ILE HB H 1 1.821 0.02 . 1 . . . . . . . . 4821 1 1598 . 1 1 153 153 ILE HG21 H 1 1.158 0.02 . 1 . . . . . . . . 4821 1 1599 . 1 1 153 153 ILE HG22 H 1 1.158 0.02 . 1 . . . . . . . . 4821 1 1600 . 1 1 153 153 ILE HG23 H 1 1.158 0.02 . 1 . . . . . . . . 4821 1 1601 . 1 1 153 153 ILE CG2 C 13 15.850 0.08 . 1 . . . . . . . . 4821 1 1602 . 1 1 153 153 ILE CG1 C 13 25.595 0.08 . 1 . . . . . . . . 4821 1 1603 . 1 1 153 153 ILE HG12 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1604 . 1 1 153 153 ILE HG13 H 1 1.467 0.02 . 1 . . . . . . . . 4821 1 1605 . 1 1 153 153 ILE HD11 H 1 0.858 0.02 . 1 . . . . . . . . 4821 1 1606 . 1 1 153 153 ILE HD12 H 1 0.858 0.02 . 1 . . . . . . . . 4821 1 1607 . 1 1 153 153 ILE HD13 H 1 0.858 0.02 . 1 . . . . . . . . 4821 1 1608 . 1 1 153 153 ILE CD1 C 13 11.628 0.08 . 1 . . . . . . . . 4821 1 1609 . 1 1 153 153 ILE C C 13 175.345 0.08 . 1 . . . . . . . . 4821 1 1610 . 1 1 154 154 ASN N N 15 122.343 0.02 . 1 . . . . . . . . 4821 1 1611 . 1 1 154 154 ASN H H 1 8.479 0.02 . 1 . . . . . . . . 4821 1 1612 . 1 1 154 154 ASN CA C 13 51.879 0.08 . 1 . . . . . . . . 4821 1 1613 . 1 1 154 154 ASN HA H 1 4.326 0.02 . 1 . . . . . . . . 4821 1 1614 . 1 1 154 154 ASN CB C 13 37.405 0.08 . 1 . . . . . . . . 4821 1 1615 . 1 1 154 154 ASN HB2 H 1 2.833 0.02 . 1 . . . . . . . . 4821 1 1616 . 1 1 154 154 ASN HB3 H 1 2.833 0.02 . 1 . . . . . . . . 4821 1 1617 . 1 1 154 154 ASN HD21 H 1 7.375 0.02 . 1 . . . . . . . . 4821 1 1618 . 1 1 154 154 ASN HD22 H 1 7.731 0.02 . 1 . . . . . . . . 4821 1 1619 . 1 1 154 154 ASN C C 13 173.761 0.08 . 1 . . . . . . . . 4821 1 1620 . 1 1 155 155 ASP N N 15 121.578 0.02 . 1 . . . . . . . . 4821 1 1621 . 1 1 155 155 ASP H H 1 8.294 0.02 . 1 . . . . . . . . 4821 1 1622 . 1 1 155 155 ASP CA C 13 52.718 0.08 . 1 . . . . . . . . 4821 1 1623 . 1 1 155 155 ASP HA H 1 4.621 0.02 . 1 . . . . . . . . 4821 1 1624 . 1 1 155 155 ASP CB C 13 39.725 0.08 . 1 . . . . . . . . 4821 1 1625 . 1 1 155 155 ASP HB2 H 1 2.668 0.02 . 1 . . . . . . . . 4821 1 1626 . 1 1 155 155 ASP HB3 H 1 2.668 0.02 . 1 . . . . . . . . 4821 1 1627 . 1 1 155 155 ASP C C 13 174.666 0.08 . 1 . . . . . . . . 4821 1 1628 . 1 1 156 156 SER N N 15 116.415 0.02 . 1 . . . . . . . . 4821 1 1629 . 1 1 156 156 SER H H 1 8.143 0.02 . 1 . . . . . . . . 4821 1 1630 . 1 1 156 156 SER CA C 13 56.697 0.08 . 1 . . . . . . . . 4821 1 1631 . 1 1 156 156 SER HA H 1 4.427 0.02 . 1 . . . . . . . . 4821 1 1632 . 1 1 156 156 SER CB C 13 62.300 0.08 . 1 . . . . . . . . 4821 1 1633 . 1 1 156 156 SER HB2 H 1 3.870 0.02 . 1 . . . . . . . . 4821 1 1634 . 1 1 156 156 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 4821 1 1635 . 1 1 156 156 SER HG H 1 3.421 0.02 . 1 . . . . . . . . 4821 1 1636 . 1 1 156 156 SER C C 13 172.176 0.08 . 1 . . . . . . . . 4821 1 1637 . 1 1 157 157 ARG N N 15 128.704 0.02 . 1 . . . . . . . . 4821 1 1638 . 1 1 157 157 ARG H H 1 7.889 0.02 . 1 . . . . . . . . 4821 1 1639 . 1 1 157 157 ARG CA C 13 55.443 0.08 . 1 . . . . . . . . 4821 1 1640 . 1 1 157 157 ARG HA H 1 4.174 0.02 . 1 . . . . . . . . 4821 1 1641 . 1 1 157 157 ARG CB C 13 29.214 0.08 . 1 . . . . . . . . 4821 1 1642 . 1 1 157 157 ARG HB2 H 1 1.651 0.02 . 1 . . . . . . . . 4821 1 1643 . 1 1 157 157 ARG HB3 H 1 1.651 0.02 . 1 . . . . . . . . 4821 1 1644 . 1 1 157 157 ARG CG C 13 29.476 0.08 . 1 . . . . . . . . 4821 1 1645 . 1 1 157 157 ARG HG2 H 1 1.837 0.02 . 1 . . . . . . . . 4821 1 1646 . 1 1 157 157 ARG HG3 H 1 1.837 0.02 . 1 . . . . . . . . 4821 1 1647 . 1 1 157 157 ARG CD C 13 41.738 0.08 . 1 . . . . . . . . 4821 1 1648 . 1 1 157 157 ARG HD2 H 1 3.143 0.02 . 1 . . . . . . . . 4821 1 1649 . 1 1 157 157 ARG HD3 H 1 2.885 0.02 . 1 . . . . . . . . 4821 1 stop_ save_