data_17173 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17173 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the Nrd1-CTD Interacting Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-10 _Entry.Accession_date 2010-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details CID _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 Karel Kubicek . . . 17173 2 Josef Pasulka . . . 17173 3 Hana Cerna . . . 17173 4 Frank Loehr . . . 17173 5 Richard Stefl . . . 17173 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17173 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 17173 '15N chemical shifts' 116 17173 '1H chemical shifts' 703 17173 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 2 . . 2012-03-13 2010-09-10 update BMRB 'update entry citation' 17173 1 . . 2011-03-30 2010-09-10 original author 'original release' 17173 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LO6 'BMRB Entry Tracking System' 17173 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17173 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21350922 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignments for the CTD-interacting domain of Nrd1 bound to Ser5-phosphorylated CTD of RNA polymerase II.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 203 _Citation.Page_last 205 _Citation.Year 2011 _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 Karel Kubiek . . . 17173 1 2 Josef Pasulka . . . 17173 1 3 Hana erna . . . 17173 1 4 Frank Lohr . . . 17173 1 5 Richard tefl . . . 17173 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17173 _Assembly.ID 1 _Assembly.Name 'Nrd1 CID' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18286.6 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'CTD Interacting domain' 1 $Nrd1_CID A . yes native no no . . . 17173 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nrd1_CID _Entity.Sf_category entity _Entity.Sf_framecode Nrd1_CID _Entity.Entry_ID 17173 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nrd1_CID _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 ; MQQDDDFQNFVATLESFKDL KSGISGSRIKKLTTYALDHI DIESKIISLIIDYSRLCPDS HKLGSLYIIDSIGRAYLDET RSNSNSSSNKPGTCAHAINT LGEVIQELLSDAIAKSNQDH KEKIRMLLDIWDRSGLFQKS YLNAIRSKCFAMDLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19954 . entity_1 . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 17173 1 2 no PDB 2LO6 . "Structure Of Nrd1 Cid Bound To Phosphorylated Rnap Ii Ctd" . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 17173 1 3 no PDB 2MOW . "Structure Of Nrd1p Cid - Trf4p Nim Complex" . . . . . 100.00 161 100.00 100.00 1.91e-112 . . . . 17173 1 4 no PDB 3CLJ . "Structure Of The Rna Polymerase Ii Ctd-Interacting Domain Of Nrd1" . . . . . 96.89 157 98.72 98.72 2.36e-106 . . . . 17173 1 5 no DBJ GAA25857 . "K7_Nrd1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 6 no EMBL CAA65493 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 7 no EMBL CAA96158 . "NRD1 [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 8 no EMBL CAY82359 . "Nrd1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 9 no GB AAC49568 . "Nrd1p [Saccharomyces cerevisiae]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 10 no GB AHY76857 . "Nrd1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 11 no GB AJP41095 . "Nrd1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.52 575 97.45 99.36 2.05e-103 . . . . 17173 1 12 no GB AJT01532 . "Nrd1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 13 no GB AJT02278 . "Nrd1p [Saccharomyces cerevisiae YJM195]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 14 no REF NP_014148 . "Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 15 no SP P53617 . "RecName: Full=Protein NRD1" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 1 16 no TPG DAA10308 . "TPA: Nrd1 complex RNA-binding subunit [Saccharomyces cerevisiae S288c]" . . . . . 97.52 575 97.45 99.36 2.16e-103 . . . . 17173 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 . 17173 1 2 . GLN . 17173 1 3 . GLN . 17173 1 4 . ASP . 17173 1 5 . ASP . 17173 1 6 . ASP . 17173 1 7 . PHE . 17173 1 8 . GLN . 17173 1 9 . ASN . 17173 1 10 . PHE . 17173 1 11 . VAL . 17173 1 12 . ALA . 17173 1 13 . THR . 17173 1 14 . LEU . 17173 1 15 . GLU . 17173 1 16 . SER . 17173 1 17 . PHE . 17173 1 18 . LYS . 17173 1 19 . ASP . 17173 1 20 . LEU . 17173 1 21 . LYS . 17173 1 22 . SER . 17173 1 23 . GLY . 17173 1 24 . ILE . 17173 1 25 . SER . 17173 1 26 . GLY . 17173 1 27 . SER . 17173 1 28 . ARG . 17173 1 29 . ILE . 17173 1 30 . LYS . 17173 1 31 . LYS . 17173 1 32 . LEU . 17173 1 33 . THR . 17173 1 34 . THR . 17173 1 35 . TYR . 17173 1 36 . ALA . 17173 1 37 . LEU . 17173 1 38 . ASP . 17173 1 39 . HIS . 17173 1 40 . ILE . 17173 1 41 . ASP . 17173 1 42 . ILE . 17173 1 43 . GLU . 17173 1 44 . SER . 17173 1 45 . LYS . 17173 1 46 . ILE . 17173 1 47 . ILE . 17173 1 48 . SER . 17173 1 49 . LEU . 17173 1 50 . ILE . 17173 1 51 . ILE . 17173 1 52 . ASP . 17173 1 53 . TYR . 17173 1 54 . SER . 17173 1 55 . ARG . 17173 1 56 . LEU . 17173 1 57 . CYS . 17173 1 58 . PRO . 17173 1 59 . ASP . 17173 1 60 . SER . 17173 1 61 . HIS . 17173 1 62 . LYS . 17173 1 63 . LEU . 17173 1 64 . GLY . 17173 1 65 . SER . 17173 1 66 . LEU . 17173 1 67 . TYR . 17173 1 68 . ILE . 17173 1 69 . ILE . 17173 1 70 . ASP . 17173 1 71 . SER . 17173 1 72 . ILE . 17173 1 73 . GLY . 17173 1 74 . ARG . 17173 1 75 . ALA . 17173 1 76 . TYR . 17173 1 77 . LEU . 17173 1 78 . ASP . 17173 1 79 . GLU . 17173 1 80 . THR . 17173 1 81 . ARG . 17173 1 82 . SER . 17173 1 83 . ASN . 17173 1 84 . SER . 17173 1 85 . ASN . 17173 1 86 . SER . 17173 1 87 . SER . 17173 1 88 . SER . 17173 1 89 . ASN . 17173 1 90 . LYS . 17173 1 91 . PRO . 17173 1 92 . GLY . 17173 1 93 . THR . 17173 1 94 . CYS . 17173 1 95 . ALA . 17173 1 96 . HIS . 17173 1 97 . ALA . 17173 1 98 . ILE . 17173 1 99 . ASN . 17173 1 100 . THR . 17173 1 101 . LEU . 17173 1 102 . GLY . 17173 1 103 . GLU . 17173 1 104 . VAL . 17173 1 105 . ILE . 17173 1 106 . GLN . 17173 1 107 . GLU . 17173 1 108 . LEU . 17173 1 109 . LEU . 17173 1 110 . SER . 17173 1 111 . ASP . 17173 1 112 . ALA . 17173 1 113 . ILE . 17173 1 114 . ALA . 17173 1 115 . LYS . 17173 1 116 . SER . 17173 1 117 . ASN . 17173 1 118 . GLN . 17173 1 119 . ASP . 17173 1 120 . HIS . 17173 1 121 . LYS . 17173 1 122 . GLU . 17173 1 123 . LYS . 17173 1 124 . ILE . 17173 1 125 . ARG . 17173 1 126 . MET . 17173 1 127 . LEU . 17173 1 128 . LEU . 17173 1 129 . ASP . 17173 1 130 . ILE . 17173 1 131 . TRP . 17173 1 132 . ASP . 17173 1 133 . ARG . 17173 1 134 . SER . 17173 1 135 . GLY . 17173 1 136 . LEU . 17173 1 137 . PHE . 17173 1 138 . GLN . 17173 1 139 . LYS . 17173 1 140 . SER . 17173 1 141 . TYR . 17173 1 142 . LEU . 17173 1 143 . ASN . 17173 1 144 . ALA . 17173 1 145 . ILE . 17173 1 146 . ARG . 17173 1 147 . SER . 17173 1 148 . LYS . 17173 1 149 . CYS . 17173 1 150 . PHE . 17173 1 151 . ALA . 17173 1 152 . MET . 17173 1 153 . ASP . 17173 1 154 . LEU . 17173 1 155 . GLU . 17173 1 156 . HIS . 17173 1 157 . HIS . 17173 1 158 . HIS . 17173 1 159 . HIS . 17173 1 160 . HIS . 17173 1 161 . HIS . 17173 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 17173 1 . GLN 2 2 17173 1 . GLN 3 3 17173 1 . ASP 4 4 17173 1 . ASP 5 5 17173 1 . ASP 6 6 17173 1 . PHE 7 7 17173 1 . GLN 8 8 17173 1 . ASN 9 9 17173 1 . PHE 10 10 17173 1 . VAL 11 11 17173 1 . ALA 12 12 17173 1 . THR 13 13 17173 1 . LEU 14 14 17173 1 . GLU 15 15 17173 1 . SER 16 16 17173 1 . PHE 17 17 17173 1 . LYS 18 18 17173 1 . ASP 19 19 17173 1 . LEU 20 20 17173 1 . LYS 21 21 17173 1 . SER 22 22 17173 1 . GLY 23 23 17173 1 . ILE 24 24 17173 1 . SER 25 25 17173 1 . GLY 26 26 17173 1 . SER 27 27 17173 1 . ARG 28 28 17173 1 . ILE 29 29 17173 1 . LYS 30 30 17173 1 . LYS 31 31 17173 1 . LEU 32 32 17173 1 . THR 33 33 17173 1 . THR 34 34 17173 1 . TYR 35 35 17173 1 . ALA 36 36 17173 1 . LEU 37 37 17173 1 . ASP 38 38 17173 1 . HIS 39 39 17173 1 . ILE 40 40 17173 1 . ASP 41 41 17173 1 . ILE 42 42 17173 1 . GLU 43 43 17173 1 . SER 44 44 17173 1 . LYS 45 45 17173 1 . ILE 46 46 17173 1 . ILE 47 47 17173 1 . SER 48 48 17173 1 . LEU 49 49 17173 1 . ILE 50 50 17173 1 . ILE 51 51 17173 1 . ASP 52 52 17173 1 . TYR 53 53 17173 1 . SER 54 54 17173 1 . ARG 55 55 17173 1 . LEU 56 56 17173 1 . CYS 57 57 17173 1 . PRO 58 58 17173 1 . ASP 59 59 17173 1 . SER 60 60 17173 1 . HIS 61 61 17173 1 . LYS 62 62 17173 1 . LEU 63 63 17173 1 . GLY 64 64 17173 1 . SER 65 65 17173 1 . LEU 66 66 17173 1 . TYR 67 67 17173 1 . ILE 68 68 17173 1 . ILE 69 69 17173 1 . ASP 70 70 17173 1 . SER 71 71 17173 1 . ILE 72 72 17173 1 . GLY 73 73 17173 1 . ARG 74 74 17173 1 . ALA 75 75 17173 1 . TYR 76 76 17173 1 . LEU 77 77 17173 1 . ASP 78 78 17173 1 . GLU 79 79 17173 1 . THR 80 80 17173 1 . ARG 81 81 17173 1 . SER 82 82 17173 1 . ASN 83 83 17173 1 . SER 84 84 17173 1 . ASN 85 85 17173 1 . SER 86 86 17173 1 . SER 87 87 17173 1 . SER 88 88 17173 1 . ASN 89 89 17173 1 . LYS 90 90 17173 1 . PRO 91 91 17173 1 . GLY 92 92 17173 1 . THR 93 93 17173 1 . CYS 94 94 17173 1 . ALA 95 95 17173 1 . HIS 96 96 17173 1 . ALA 97 97 17173 1 . ILE 98 98 17173 1 . ASN 99 99 17173 1 . THR 100 100 17173 1 . LEU 101 101 17173 1 . GLY 102 102 17173 1 . GLU 103 103 17173 1 . VAL 104 104 17173 1 . ILE 105 105 17173 1 . GLN 106 106 17173 1 . GLU 107 107 17173 1 . LEU 108 108 17173 1 . LEU 109 109 17173 1 . SER 110 110 17173 1 . ASP 111 111 17173 1 . ALA 112 112 17173 1 . ILE 113 113 17173 1 . ALA 114 114 17173 1 . LYS 115 115 17173 1 . SER 116 116 17173 1 . ASN 117 117 17173 1 . GLN 118 118 17173 1 . ASP 119 119 17173 1 . HIS 120 120 17173 1 . LYS 121 121 17173 1 . GLU 122 122 17173 1 . LYS 123 123 17173 1 . ILE 124 124 17173 1 . ARG 125 125 17173 1 . MET 126 126 17173 1 . LEU 127 127 17173 1 . LEU 128 128 17173 1 . ASP 129 129 17173 1 . ILE 130 130 17173 1 . TRP 131 131 17173 1 . ASP 132 132 17173 1 . ARG 133 133 17173 1 . SER 134 134 17173 1 . GLY 135 135 17173 1 . LEU 136 136 17173 1 . PHE 137 137 17173 1 . GLN 138 138 17173 1 . LYS 139 139 17173 1 . SER 140 140 17173 1 . TYR 141 141 17173 1 . LEU 142 142 17173 1 . ASN 143 143 17173 1 . ALA 144 144 17173 1 . ILE 145 145 17173 1 . ARG 146 146 17173 1 . SER 147 147 17173 1 . LYS 148 148 17173 1 . CYS 149 149 17173 1 . PHE 150 150 17173 1 . ALA 151 151 17173 1 . MET 152 152 17173 1 . ASP 153 153 17173 1 . LEU 154 154 17173 1 . GLU 155 155 17173 1 . HIS 156 156 17173 1 . HIS 157 157 17173 1 . HIS 158 158 17173 1 . HIS 159 159 17173 1 . HIS 160 160 17173 1 . HIS 161 161 17173 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 17173 _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 $Nrd1_CID . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17173 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 17173 _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 $Nrd1_CID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 17173 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17173 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM Na2HPO4, 100mM NaCl, 10mM β mercaptoethanol, pH=8,0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'Nrd1 CID' '[U-100% 13C; U-100% 15N]' . . 1 $Nrd1_CID . . 2 . . mM . . . . 17173 1 2 Na2HPO4 'natural abundance' . . . . . . 50 . . mM . . . . 17173 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 17173 1 4 b-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 17173 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17173 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17173 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17173 _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 'ionic strength' 100 . mM 17173 1 pH 8.0 . pH 17173 1 pressure 1 . atm 17173 1 temperature 293 . K 17173 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17173 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17173 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17173 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17173 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17173 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17173 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17173 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17173 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17173 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17173 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17173 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17173 _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 spectrometer_1 Bruker Avance . 600 . . . 17173 1 2 spectrometer_2 Bruker Avance . 900 . . . 17173 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 17173 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17173 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17173 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17173 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17173 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17173 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 17173 1 3 '3D CBCA(CO)NH' . . . 17173 1 4 '3D HNCA' . . . 17173 1 5 '3D HNCACB' . . . 17173 1 6 '3D HN(CO)CA' . . . 17173 1 9 '3D 1H-13C NOESY' . . . 17173 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 6 6 ASP H H 1 8.520 0.007 . 1 . . . . 6 ASP H . 17173 1 2 . 1 1 6 6 ASP HA H 1 4.501 0.000 . 1 . . . . 6 ASP HA . 17173 1 3 . 1 1 6 6 ASP HB2 H 1 2.881 0.000 . 2 . . . . 6 ASP HB2 . 17173 1 4 . 1 1 6 6 ASP HB3 H 1 2.824 0.000 . 2 . . . . 6 ASP HB3 . 17173 1 5 . 1 1 6 6 ASP CA C 13 52.900 0.000 . 1 . . . . 6 ASP CA . 17173 1 6 . 1 1 6 6 ASP CB C 13 38.355 0.140 . 1 . . . . 6 ASP CB . 17173 1 7 . 1 1 6 6 ASP N N 15 121.097 0.099 . 1 . . . . 6 ASP N . 17173 1 8 . 1 1 7 7 PHE H H 1 8.380 0.000 . 1 . . . . 7 PHE H . 17173 1 9 . 1 1 7 7 PHE HA H 1 4.130 0.000 . 1 . . . . 7 PHE HA . 17173 1 10 . 1 1 7 7 PHE HB2 H 1 2.830 0.000 . 2 . . . . 7 PHE HB2 . 17173 1 11 . 1 1 7 7 PHE HB3 H 1 3.130 0.000 . 2 . . . . 7 PHE HB3 . 17173 1 12 . 1 1 7 7 PHE CA C 13 58.900 0.000 . 1 . . . . 7 PHE CA . 17173 1 13 . 1 1 7 7 PHE CB C 13 36.600 0.000 . 1 . . . . 7 PHE CB . 17173 1 14 . 1 1 7 7 PHE N N 15 123.100 0.000 . 1 . . . . 7 PHE N . 17173 1 15 . 1 1 8 8 GLN H H 1 8.520 0.005 . 1 . . . . 8 GLN H . 17173 1 16 . 1 1 8 8 GLN HA H 1 3.770 0.000 . 1 . . . . 8 GLN HA . 17173 1 17 . 1 1 8 8 GLN HB2 H 1 1.985 0.000 . 2 . . . . 8 GLN HB2 . 17173 1 18 . 1 1 8 8 GLN HB3 H 1 1.985 0.000 . 2 . . . . 8 GLN HB3 . 17173 1 19 . 1 1 8 8 GLN HG2 H 1 2.368 0.000 . 2 . . . . 8 GLN HG2 . 17173 1 20 . 1 1 8 8 GLN HG3 H 1 2.368 0.000 . 2 . . . . 8 GLN HG3 . 17173 1 21 . 1 1 8 8 GLN CA C 13 55.700 0.000 . 1 . . . . 8 GLN CA . 17173 1 22 . 1 1 8 8 GLN CB C 13 24.690 0.000 . 1 . . . . 8 GLN CB . 17173 1 23 . 1 1 8 8 GLN CG C 13 31.003 0.000 . 1 . . . . 8 GLN CG . 17173 1 24 . 1 1 8 8 GLN N N 15 116.356 0.017 . 1 . . . . 8 GLN N . 17173 1 25 . 1 1 9 9 ASN H H 1 7.837 0.008 . 1 . . . . 9 ASN H . 17173 1 26 . 1 1 9 9 ASN HA H 1 4.338 0.018 . 1 . . . . 9 ASN HA . 17173 1 27 . 1 1 9 9 ASN HB2 H 1 2.781 0.000 . 2 . . . . 9 ASN HB2 . 17173 1 28 . 1 1 9 9 ASN HB3 H 1 2.689 0.000 . 2 . . . . 9 ASN HB3 . 17173 1 29 . 1 1 9 9 ASN CA C 13 53.185 0.105 . 1 . . . . 9 ASN CA . 17173 1 30 . 1 1 9 9 ASN CB C 13 35.897 0.139 . 1 . . . . 9 ASN CB . 17173 1 31 . 1 1 9 9 ASN N N 15 118.401 0.027 . 1 . . . . 9 ASN N . 17173 1 32 . 1 1 10 10 PHE H H 1 6.961 0.000 . 1 . . . . 10 PHE H . 17173 1 33 . 1 1 10 10 PHE HA H 1 3.470 0.000 . 1 . . . . 10 PHE HA . 17173 1 34 . 1 1 10 10 PHE HB2 H 1 1.180 0.000 . 2 . . . . 10 PHE HB2 . 17173 1 35 . 1 1 10 10 PHE HB3 H 1 2.320 0.000 . 2 . . . . 10 PHE HB3 . 17173 1 36 . 1 1 10 10 PHE CA C 13 58.990 0.000 . 1 . . . . 10 PHE CA . 17173 1 37 . 1 1 10 10 PHE CB C 13 35.100 0.000 . 1 . . . . 10 PHE CB . 17173 1 38 . 1 1 10 10 PHE N N 15 125.138 0.000 . 1 . . . . 10 PHE N . 17173 1 39 . 1 1 11 11 VAL H H 1 7.470 0.000 . 1 . . . . 11 VAL H . 17173 1 40 . 1 1 11 11 VAL HA H 1 2.854 0.001 . 1 . . . . 11 VAL HA . 17173 1 41 . 1 1 11 11 VAL HB H 1 1.665 0.004 . 1 . . . . 11 VAL HB . 17173 1 42 . 1 1 11 11 VAL HG11 H 1 0.722 0.001 . 2 . . . . 11 VAL QG1 . 17173 1 43 . 1 1 11 11 VAL HG12 H 1 0.722 0.001 . 2 . . . . 11 VAL QG1 . 17173 1 44 . 1 1 11 11 VAL HG13 H 1 0.722 0.001 . 2 . . . . 11 VAL QG1 . 17173 1 45 . 1 1 11 11 VAL HG21 H 1 0.460 0.000 . 2 . . . . 11 VAL QG2 . 17173 1 46 . 1 1 11 11 VAL HG22 H 1 0.460 0.000 . 2 . . . . 11 VAL QG2 . 17173 1 47 . 1 1 11 11 VAL HG23 H 1 0.460 0.000 . 2 . . . . 11 VAL QG2 . 17173 1 48 . 1 1 11 11 VAL CA C 13 63.976 0.089 . 1 . . . . 11 VAL CA . 17173 1 49 . 1 1 11 11 VAL CB C 13 29.828 0.464 . 1 . . . . 11 VAL CB . 17173 1 50 . 1 1 11 11 VAL CG1 C 13 18.585 0.008 . 1 . . . . 11 VAL CG1 . 17173 1 51 . 1 1 11 11 VAL CG2 C 13 20.641 0.004 . 1 . . . . 11 VAL CG2 . 17173 1 52 . 1 1 11 11 VAL N N 15 118.654 0.029 . 1 . . . . 11 VAL N . 17173 1 53 . 1 1 12 12 ALA H H 1 8.052 0.005 . 1 . . . . 12 ALA H . 17173 1 54 . 1 1 12 12 ALA HA H 1 3.898 0.011 . 1 . . . . 12 ALA HA . 17173 1 55 . 1 1 12 12 ALA HB1 H 1 1.301 0.004 . 1 . . . . 12 ALA QB . 17173 1 56 . 1 1 12 12 ALA HB2 H 1 1.301 0.004 . 1 . . . . 12 ALA QB . 17173 1 57 . 1 1 12 12 ALA HB3 H 1 1.301 0.004 . 1 . . . . 12 ALA QB . 17173 1 58 . 1 1 12 12 ALA CA C 13 52.146 0.119 . 1 . . . . 12 ALA CA . 17173 1 59 . 1 1 12 12 ALA CB C 13 15.444 0.133 . 1 . . . . 12 ALA CB . 17173 1 60 . 1 1 12 12 ALA N N 15 119.349 0.017 . 1 . . . . 12 ALA N . 17173 1 61 . 1 1 13 13 THR H H 1 7.657 0.011 . 1 . . . . 13 THR H . 17173 1 62 . 1 1 13 13 THR HA H 1 3.630 0.000 . 1 . . . . 13 THR HA . 17173 1 63 . 1 1 13 13 THR HB H 1 3.910 0.003 . 1 . . . . 13 THR HB . 17173 1 64 . 1 1 13 13 THR HG21 H 1 0.904 0.000 . 1 . . . . 13 THR QG2 . 17173 1 65 . 1 1 13 13 THR HG22 H 1 0.904 0.000 . 1 . . . . 13 THR QG2 . 17173 1 66 . 1 1 13 13 THR HG23 H 1 0.904 0.000 . 1 . . . . 13 THR QG2 . 17173 1 67 . 1 1 13 13 THR CA C 13 63.954 0.104 . 1 . . . . 13 THR CA . 17173 1 68 . 1 1 13 13 THR CB C 13 64.995 0.103 . 1 . . . . 13 THR CB . 17173 1 69 . 1 1 13 13 THR CG2 C 13 19.069 0.003 . 1 . . . . 13 THR CG2 . 17173 1 70 . 1 1 13 13 THR N N 15 116.643 0.067 . 1 . . . . 13 THR N . 17173 1 71 . 1 1 14 14 LEU H H 1 8.010 0.006 . 1 . . . . 14 LEU H . 17173 1 72 . 1 1 14 14 LEU HA H 1 3.677 0.006 . 1 . . . . 14 LEU HA . 17173 1 73 . 1 1 14 14 LEU HB2 H 1 1.560 0.003 . 2 . . . . 14 LEU HB2 . 17173 1 74 . 1 1 14 14 LEU HB3 H 1 0.524 0.006 . 2 . . . . 14 LEU HB3 . 17173 1 75 . 1 1 14 14 LEU HD11 H 1 -0.160 0.000 . 2 . . . . 14 LEU QD1 . 17173 1 76 . 1 1 14 14 LEU HD12 H 1 -0.160 0.000 . 2 . . . . 14 LEU QD1 . 17173 1 77 . 1 1 14 14 LEU HD13 H 1 -0.160 0.000 . 2 . . . . 14 LEU QD1 . 17173 1 78 . 1 1 14 14 LEU HD21 H 1 0.490 0.000 . 2 . . . . 14 LEU QD2 . 17173 1 79 . 1 1 14 14 LEU HD22 H 1 0.490 0.000 . 2 . . . . 14 LEU QD2 . 17173 1 80 . 1 1 14 14 LEU HD23 H 1 0.490 0.000 . 2 . . . . 14 LEU QD2 . 17173 1 81 . 1 1 14 14 LEU HG H 1 0.915 0.000 . 1 . . . . 14 LEU HG . 17173 1 82 . 1 1 14 14 LEU CA C 13 55.456 0.149 . 1 . . . . 14 LEU CA . 17173 1 83 . 1 1 14 14 LEU CB C 13 38.727 0.129 . 1 . . . . 14 LEU CB . 17173 1 84 . 1 1 14 14 LEU CD1 C 13 20.346 0.010 . 1 . . . . 14 LEU CD1 . 17173 1 85 . 1 1 14 14 LEU CD2 C 13 24.410 0.003 . 1 . . . . 14 LEU CD2 . 17173 1 86 . 1 1 14 14 LEU CG C 13 24.230 0.000 . 1 . . . . 14 LEU CG . 17173 1 87 . 1 1 14 14 LEU N N 15 126.414 0.023 . 1 . . . . 14 LEU N . 17173 1 88 . 1 1 15 15 GLU H H 1 8.531 0.006 . 1 . . . . 15 GLU H . 17173 1 89 . 1 1 15 15 GLU HA H 1 3.830 0.000 . 1 . . . . 15 GLU HA . 17173 1 90 . 1 1 15 15 GLU HB2 H 1 1.901 0.000 . 2 . . . . 15 GLU HB2 . 17173 1 91 . 1 1 15 15 GLU HB3 H 1 1.901 0.000 . 2 . . . . 15 GLU HB3 . 17173 1 92 . 1 1 15 15 GLU HG2 H 1 2.162 0.001 . 2 . . . . 15 GLU HG2 . 17173 1 93 . 1 1 15 15 GLU HG3 H 1 2.240 0.000 . 2 . . . . 15 GLU HG3 . 17173 1 94 . 1 1 15 15 GLU CA C 13 56.360 0.000 . 1 . . . . 15 GLU CA . 17173 1 95 . 1 1 15 15 GLU CB C 13 26.833 0.084 . 1 . . . . 15 GLU CB . 17173 1 96 . 1 1 15 15 GLU CG C 13 33.904 0.017 . 1 . . . . 15 GLU CG . 17173 1 97 . 1 1 15 15 GLU N N 15 116.236 0.007 . 1 . . . . 15 GLU N . 17173 1 98 . 1 1 16 16 SER H H 1 7.690 0.009 . 1 . . . . 16 SER H . 17173 1 99 . 1 1 16 16 SER HA H 1 4.220 0.000 . 1 . . . . 16 SER HA . 17173 1 100 . 1 1 16 16 SER HB2 H 1 3.939 0.005 . 2 . . . . 16 SER HB2 . 17173 1 101 . 1 1 16 16 SER HB3 H 1 4.220 0.001 . 2 . . . . 16 SER HB3 . 17173 1 102 . 1 1 16 16 SER CA C 13 58.429 0.113 . 1 . . . . 16 SER CA . 17173 1 103 . 1 1 16 16 SER CB C 13 60.184 0.067 . 1 . . . . 16 SER CB . 17173 1 104 . 1 1 16 16 SER N N 15 114.775 0.013 . 1 . . . . 16 SER N . 17173 1 105 . 1 1 17 17 PHE H H 1 8.078 0.009 . 1 . . . . 17 PHE H . 17173 1 106 . 1 1 17 17 PHE HA H 1 3.863 0.028 . 1 . . . . 17 PHE HA . 17173 1 107 . 1 1 17 17 PHE HB2 H 1 2.904 0.001 . 2 . . . . 17 PHE HB2 . 17173 1 108 . 1 1 17 17 PHE HB3 H 1 3.357 0.001 . 2 . . . . 17 PHE HB3 . 17173 1 109 . 1 1 17 17 PHE CA C 13 59.540 0.000 . 1 . . . . 17 PHE CA . 17173 1 110 . 1 1 17 17 PHE CB C 13 36.100 0.095 . 1 . . . . 17 PHE CB . 17173 1 111 . 1 1 17 17 PHE N N 15 123.851 0.050 . 1 . . . . 17 PHE N . 17173 1 112 . 1 1 18 18 LYS H H 1 7.900 0.000 . 1 . . . . 18 LYS H . 17173 1 113 . 1 1 18 18 LYS HA H 1 3.955 0.000 . 1 . . . . 18 LYS HA . 17173 1 114 . 1 1 18 18 LYS HB3 H 1 1.847 0.000 . 2 . . . . 18 LYS HB3 . 17173 1 115 . 1 1 18 18 LYS HE2 H 1 2.830 0.000 . 2 . . . . 18 LYS HE2 . 17173 1 116 . 1 1 18 18 LYS HG2 H 1 1.290 0.000 . 2 . . . . 18 LYS HG2 . 17173 1 117 . 1 1 18 18 LYS HG3 H 1 1.600 0.000 . 2 . . . . 18 LYS HG3 . 17173 1 118 . 1 1 18 18 LYS CA C 13 56.900 0.000 . 1 . . . . 18 LYS CA . 17173 1 119 . 1 1 18 18 LYS CB C 13 29.680 0.000 . 1 . . . . 18 LYS CB . 17173 1 120 . 1 1 18 18 LYS CE C 13 39.660 0.000 . 1 . . . . 18 LYS CE . 17173 1 121 . 1 1 18 18 LYS CG C 13 24.280 0.000 . 1 . . . . 18 LYS CG . 17173 1 122 . 1 1 18 18 LYS N N 15 116.800 0.000 . 1 . . . . 18 LYS N . 17173 1 123 . 1 1 19 19 ASP H H 1 7.305 0.002 . 1 . . . . 19 ASP H . 17173 1 124 . 1 1 19 19 ASP HA H 1 4.545 0.000 . 1 . . . . 19 ASP HA . 17173 1 125 . 1 1 19 19 ASP HB2 H 1 2.576 0.000 . 2 . . . . 19 ASP HB2 . 17173 1 126 . 1 1 19 19 ASP HB3 H 1 2.746 0.000 . 2 . . . . 19 ASP HB3 . 17173 1 127 . 1 1 19 19 ASP CA C 13 52.400 0.000 . 1 . . . . 19 ASP CA . 17173 1 128 . 1 1 19 19 ASP CB C 13 38.800 0.000 . 1 . . . . 19 ASP CB . 17173 1 129 . 1 1 19 19 ASP N N 15 116.476 0.016 . 1 . . . . 19 ASP N . 17173 1 130 . 1 1 22 22 SER H H 1 7.364 0.000 . 1 . . . . 22 SER H . 17173 1 131 . 1 1 22 22 SER HA H 1 4.324 0.000 . 1 . . . . 22 SER HA . 17173 1 132 . 1 1 22 22 SER HB2 H 1 3.980 0.000 . 2 . . . . 22 SER HB2 . 17173 1 133 . 1 1 22 22 SER HB3 H 1 3.870 0.000 . 2 . . . . 22 SER HB3 . 17173 1 134 . 1 1 22 22 SER CA C 13 55.030 0.000 . 1 . . . . 22 SER CA . 17173 1 135 . 1 1 22 22 SER CB C 13 62.100 0.000 . 1 . . . . 22 SER CB . 17173 1 136 . 1 1 23 23 GLY H H 1 6.732 0.008 . 1 . . . . 23 GLY H . 17173 1 137 . 1 1 23 23 GLY HA2 H 1 3.382 0.000 . 2 . . . . 23 GLY HA2 . 17173 1 138 . 1 1 23 23 GLY HA3 H 1 3.342 0.000 . 2 . . . . 23 GLY HA3 . 17173 1 139 . 1 1 23 23 GLY CA C 13 43.872 0.148 . 1 . . . . 23 GLY CA . 17173 1 140 . 1 1 23 23 GLY N N 15 106.586 0.015 . 1 . . . . 23 GLY N . 17173 1 141 . 1 1 24 24 ILE H H 1 7.808 0.005 . 1 . . . . 24 ILE H . 17173 1 142 . 1 1 24 24 ILE HA H 1 4.030 0.000 . 1 . . . . 24 ILE HA . 17173 1 143 . 1 1 24 24 ILE HB H 1 1.490 0.004 . 1 . . . . 24 ILE HB . 17173 1 144 . 1 1 24 24 ILE HD11 H 1 0.760 0.002 . 1 . . . . 24 ILE QD1 . 17173 1 145 . 1 1 24 24 ILE HD12 H 1 0.760 0.002 . 1 . . . . 24 ILE QD1 . 17173 1 146 . 1 1 24 24 ILE HD13 H 1 0.760 0.002 . 1 . . . . 24 ILE QD1 . 17173 1 147 . 1 1 24 24 ILE HG12 H 1 0.870 0.000 . 2 . . . . 24 ILE HG12 . 17173 1 148 . 1 1 24 24 ILE HG13 H 1 0.870 0.000 . 2 . . . . 24 ILE HG13 . 17173 1 149 . 1 1 24 24 ILE HG21 H 1 0.850 0.000 . 1 . . . . 24 ILE QG2 . 17173 1 150 . 1 1 24 24 ILE HG22 H 1 0.850 0.000 . 1 . . . . 24 ILE QG2 . 17173 1 151 . 1 1 24 24 ILE HG23 H 1 0.850 0.000 . 1 . . . . 24 ILE QG2 . 17173 1 152 . 1 1 24 24 ILE CA C 13 59.330 0.000 . 1 . . . . 24 ILE CA . 17173 1 153 . 1 1 24 24 ILE CB C 13 39.482 0.000 . 1 . . . . 24 ILE CB . 17173 1 154 . 1 1 24 24 ILE CD1 C 13 11.680 0.000 . 1 . . . . 24 ILE CD1 . 17173 1 155 . 1 1 24 24 ILE CG1 C 13 24.323 0.013 . 1 . . . . 24 ILE CG1 . 17173 1 156 . 1 1 24 24 ILE CG2 C 13 16.076 0.022 . 1 . . . . 24 ILE CG2 . 17173 1 157 . 1 1 24 24 ILE N N 15 118.469 0.032 . 1 . . . . 24 ILE N . 17173 1 158 . 1 1 28 28 ARG H H 1 7.669 0.002 . 1 . . . . 28 ARG H . 17173 1 159 . 1 1 28 28 ARG HA H 1 3.830 0.000 . 1 . . . . 28 ARG HA . 17173 1 160 . 1 1 28 28 ARG HB2 H 1 2.821 0.000 . 2 . . . . 28 ARG HB2 . 17173 1 161 . 1 1 28 28 ARG HG2 H 1 1.514 0.000 . 2 . . . . 28 ARG HG2 . 17173 1 162 . 1 1 28 28 ARG HG3 H 1 1.514 0.000 . 2 . . . . 28 ARG HG3 . 17173 1 163 . 1 1 28 28 ARG CA C 13 56.550 0.000 . 1 . . . . 28 ARG CA . 17173 1 164 . 1 1 28 28 ARG CB C 13 28.023 0.000 . 1 . . . . 28 ARG CB . 17173 1 165 . 1 1 28 28 ARG CG C 13 27.090 0.000 . 1 . . . . 28 ARG CG . 17173 1 166 . 1 1 28 28 ARG N N 15 123.522 0.013 . 1 . . . . 28 ARG N . 17173 1 167 . 1 1 29 29 ILE H H 1 8.090 0.006 . 1 . . . . 29 ILE H . 17173 1 168 . 1 1 29 29 ILE HA H 1 3.512 0.002 . 1 . . . . 29 ILE HA . 17173 1 169 . 1 1 29 29 ILE HB H 1 1.810 0.000 . 1 . . . . 29 ILE HB . 17173 1 170 . 1 1 29 29 ILE HD11 H 1 0.500 0.000 . 1 . . . . 29 ILE QD1 . 17173 1 171 . 1 1 29 29 ILE HD12 H 1 0.500 0.000 . 1 . . . . 29 ILE QD1 . 17173 1 172 . 1 1 29 29 ILE HD13 H 1 0.500 0.000 . 1 . . . . 29 ILE QD1 . 17173 1 173 . 1 1 29 29 ILE HG12 H 1 0.780 0.000 . 2 . . . . 29 ILE HG12 . 17173 1 174 . 1 1 29 29 ILE HG13 H 1 2.130 0.000 . 2 . . . . 29 ILE HG13 . 17173 1 175 . 1 1 29 29 ILE HG21 H 1 0.810 0.000 . 1 . . . . 29 ILE QG2 . 17173 1 176 . 1 1 29 29 ILE HG22 H 1 0.810 0.000 . 1 . . . . 29 ILE QG2 . 17173 1 177 . 1 1 29 29 ILE HG23 H 1 0.810 0.000 . 1 . . . . 29 ILE QG2 . 17173 1 178 . 1 1 29 29 ILE CA C 13 64.402 0.091 . 1 . . . . 29 ILE CA . 17173 1 179 . 1 1 29 29 ILE CB C 13 34.852 0.167 . 1 . . . . 29 ILE CB . 17173 1 180 . 1 1 29 29 ILE CD1 C 13 11.500 0.000 . 1 . . . . 29 ILE CD1 . 17173 1 181 . 1 1 29 29 ILE CG1 C 13 29.040 0.000 . 1 . . . . 29 ILE CG1 . 17173 1 182 . 1 1 29 29 ILE CG2 C 13 15.300 0.000 . 1 . . . . 29 ILE CG2 . 17173 1 183 . 1 1 29 29 ILE N N 15 120.467 0.094 . 1 . . . . 29 ILE N . 17173 1 184 . 1 1 30 30 LYS H H 1 8.180 0.000 . 1 . . . . 30 LYS H . 17173 1 185 . 1 1 30 30 LYS HA H 1 3.970 0.000 . 1 . . . . 30 LYS HA . 17173 1 186 . 1 1 30 30 LYS HB2 H 1 1.840 0.000 . 2 . . . . 30 LYS HB2 . 17173 1 187 . 1 1 30 30 LYS HB3 H 1 1.900 0.000 . 2 . . . . 30 LYS HB3 . 17173 1 188 . 1 1 30 30 LYS CA C 13 57.039 0.193 . 1 . . . . 30 LYS CA . 17173 1 189 . 1 1 30 30 LYS CB C 13 29.100 0.000 . 1 . . . . 30 LYS CB . 17173 1 190 . 1 1 30 30 LYS N N 15 123.663 0.061 . 1 . . . . 30 LYS N . 17173 1 191 . 1 1 31 31 LYS H H 1 7.610 0.000 . 1 . . . . 31 LYS H . 17173 1 192 . 1 1 31 31 LYS HA H 1 4.034 0.000 . 1 . . . . 31 LYS HA . 17173 1 193 . 1 1 31 31 LYS HB2 H 1 1.880 0.000 . 2 . . . . 31 LYS HB2 . 17173 1 194 . 1 1 31 31 LYS HB3 H 1 1.880 0.000 . 2 . . . . 31 LYS HB3 . 17173 1 195 . 1 1 31 31 LYS HD2 H 1 1.520 0.000 . 2 . . . . 31 LYS HD2 . 17173 1 196 . 1 1 31 31 LYS HD3 H 1 1.520 0.000 . 2 . . . . 31 LYS HD3 . 17173 1 197 . 1 1 31 31 LYS HG2 H 1 1.330 0.000 . 2 . . . . 31 LYS HG2 . 17173 1 198 . 1 1 31 31 LYS HG3 H 1 1.530 0.000 . 2 . . . . 31 LYS HG3 . 17173 1 199 . 1 1 31 31 LYS CA C 13 57.700 0.000 . 1 . . . . 31 LYS CA . 17173 1 200 . 1 1 31 31 LYS CB C 13 30.260 0.000 . 1 . . . . 31 LYS CB . 17173 1 201 . 1 1 31 31 LYS CD C 13 27.010 0.000 . 1 . . . . 31 LYS CD . 17173 1 202 . 1 1 31 31 LYS CG C 13 22.900 0.000 . 1 . . . . 31 LYS CG . 17173 1 203 . 1 1 31 31 LYS N N 15 120.600 0.000 . 1 . . . . 31 LYS N . 17173 1 204 . 1 1 32 32 LEU H H 1 8.090 0.000 . 1 . . . . 32 LEU H . 17173 1 205 . 1 1 32 32 LEU HA H 1 4.090 0.000 . 1 . . . . 32 LEU HA . 17173 1 206 . 1 1 32 32 LEU HB2 H 1 2.010 0.000 . 2 . . . . 32 LEU HB2 . 17173 1 207 . 1 1 32 32 LEU HB3 H 1 1.290 0.000 . 2 . . . . 32 LEU HB3 . 17173 1 208 . 1 1 32 32 LEU HD11 H 1 -0.005 0.000 . 2 . . . . 32 LEU QD1 . 17173 1 209 . 1 1 32 32 LEU HD12 H 1 -0.005 0.000 . 2 . . . . 32 LEU QD1 . 17173 1 210 . 1 1 32 32 LEU HD13 H 1 -0.005 0.000 . 2 . . . . 32 LEU QD1 . 17173 1 211 . 1 1 32 32 LEU HD21 H 1 0.400 0.000 . 2 . . . . 32 LEU QD2 . 17173 1 212 . 1 1 32 32 LEU HD22 H 1 0.400 0.000 . 2 . . . . 32 LEU QD2 . 17173 1 213 . 1 1 32 32 LEU HD23 H 1 0.400 0.000 . 2 . . . . 32 LEU QD2 . 17173 1 214 . 1 1 32 32 LEU HG H 1 1.870 0.000 . 1 . . . . 32 LEU HG . 17173 1 215 . 1 1 32 32 LEU CA C 13 55.460 0.000 . 1 . . . . 32 LEU CA . 17173 1 216 . 1 1 32 32 LEU CB C 13 39.600 0.000 . 1 . . . . 32 LEU CB . 17173 1 217 . 1 1 32 32 LEU CD1 C 13 20.600 0.000 . 1 . . . . 32 LEU CD1 . 17173 1 218 . 1 1 32 32 LEU CD2 C 13 26.050 0.000 . 1 . . . . 32 LEU CD2 . 17173 1 219 . 1 1 32 32 LEU CG C 13 23.700 0.000 . 1 . . . . 32 LEU CG . 17173 1 220 . 1 1 32 32 LEU N N 15 118.296 0.002 . 1 . . . . 32 LEU N . 17173 1 221 . 1 1 33 33 THR H H 1 8.069 0.005 . 1 . . . . 33 THR H . 17173 1 222 . 1 1 33 33 THR HA H 1 3.660 0.000 . 1 . . . . 33 THR HA . 17173 1 223 . 1 1 33 33 THR HB H 1 4.260 0.000 . 1 . . . . 33 THR HB . 17173 1 224 . 1 1 33 33 THR HG21 H 1 0.985 0.002 . 1 . . . . 33 THR QG2 . 17173 1 225 . 1 1 33 33 THR HG22 H 1 0.985 0.002 . 1 . . . . 33 THR QG2 . 17173 1 226 . 1 1 33 33 THR HG23 H 1 0.985 0.002 . 1 . . . . 33 THR QG2 . 17173 1 227 . 1 1 33 33 THR CA C 13 64.633 0.095 . 1 . . . . 33 THR CA . 17173 1 228 . 1 1 33 33 THR CB C 13 65.997 0.096 . 1 . . . . 33 THR CB . 17173 1 229 . 1 1 33 33 THR CG2 C 13 18.622 0.008 . 1 . . . . 33 THR CG2 . 17173 1 230 . 1 1 33 33 THR N N 15 116.483 0.017 . 1 . . . . 33 THR N . 17173 1 231 . 1 1 34 34 THR H H 1 8.651 0.006 . 1 . . . . 34 THR H . 17173 1 232 . 1 1 34 34 THR HA H 1 3.766 0.001 . 1 . . . . 34 THR HA . 17173 1 233 . 1 1 34 34 THR HB H 1 4.145 0.004 . 1 . . . . 34 THR HB . 17173 1 234 . 1 1 34 34 THR HG21 H 1 1.190 0.001 . 1 . . . . 34 THR QG2 . 17173 1 235 . 1 1 34 34 THR HG22 H 1 1.190 0.001 . 1 . . . . 34 THR QG2 . 17173 1 236 . 1 1 34 34 THR HG23 H 1 1.190 0.001 . 1 . . . . 34 THR QG2 . 17173 1 237 . 1 1 34 34 THR CA C 13 64.149 0.094 . 1 . . . . 34 THR CA . 17173 1 238 . 1 1 34 34 THR CB C 13 66.380 0.117 . 1 . . . . 34 THR CB . 17173 1 239 . 1 1 34 34 THR CG2 C 13 19.282 0.008 . 1 . . . . 34 THR CG2 . 17173 1 240 . 1 1 34 34 THR N N 15 118.822 0.015 . 1 . . . . 34 THR N . 17173 1 241 . 1 1 35 35 TYR H H 1 7.720 0.000 . 1 . . . . 35 TYR H . 17173 1 242 . 1 1 35 35 TYR HA H 1 4.219 0.000 . 1 . . . . 35 TYR HA . 17173 1 243 . 1 1 35 35 TYR HB2 H 1 3.200 0.000 . 2 . . . . 35 TYR HB2 . 17173 1 244 . 1 1 35 35 TYR HB3 H 1 3.290 0.000 . 2 . . . . 35 TYR HB3 . 17173 1 245 . 1 1 35 35 TYR CA C 13 60.250 0.000 . 1 . . . . 35 TYR CA . 17173 1 246 . 1 1 35 35 TYR CB C 13 35.930 0.000 . 1 . . . . 35 TYR CB . 17173 1 247 . 1 1 35 35 TYR N N 15 120.503 0.051 . 1 . . . . 35 TYR N . 17173 1 248 . 1 1 36 36 ALA H H 1 8.525 0.005 . 1 . . . . 36 ALA H . 17173 1 249 . 1 1 36 36 ALA HA H 1 3.934 0.000 . 1 . . . . 36 ALA HA . 17173 1 250 . 1 1 36 36 ALA HB1 H 1 1.460 0.000 . 1 . . . . 36 ALA QB . 17173 1 251 . 1 1 36 36 ALA HB2 H 1 1.460 0.000 . 1 . . . . 36 ALA QB . 17173 1 252 . 1 1 36 36 ALA HB3 H 1 1.460 0.000 . 1 . . . . 36 ALA QB . 17173 1 253 . 1 1 36 36 ALA CA C 13 53.210 0.000 . 1 . . . . 36 ALA CA . 17173 1 254 . 1 1 36 36 ALA CB C 13 14.770 0.000 . 1 . . . . 36 ALA CB . 17173 1 255 . 1 1 36 36 ALA N N 15 121.388 0.052 . 1 . . . . 36 ALA N . 17173 1 256 . 1 1 37 37 LEU H H 1 8.309 0.005 . 1 . . . . 37 LEU H . 17173 1 257 . 1 1 37 37 LEU HA H 1 4.120 0.000 . 1 . . . . 37 LEU HA . 17173 1 258 . 1 1 37 37 LEU HB2 H 1 1.903 0.000 . 2 . . . . 37 LEU HB2 . 17173 1 259 . 1 1 37 37 LEU HB3 H 1 1.460 0.000 . 2 . . . . 37 LEU HB3 . 17173 1 260 . 1 1 37 37 LEU HD11 H 1 0.887 0.002 . 2 . . . . 37 LEU QD1 . 17173 1 261 . 1 1 37 37 LEU HD12 H 1 0.887 0.002 . 2 . . . . 37 LEU QD1 . 17173 1 262 . 1 1 37 37 LEU HD13 H 1 0.887 0.002 . 2 . . . . 37 LEU QD1 . 17173 1 263 . 1 1 37 37 LEU HD21 H 1 0.865 0.004 . 2 . . . . 37 LEU QD2 . 17173 1 264 . 1 1 37 37 LEU HD22 H 1 0.865 0.004 . 2 . . . . 37 LEU QD2 . 17173 1 265 . 1 1 37 37 LEU HD23 H 1 0.865 0.004 . 2 . . . . 37 LEU QD2 . 17173 1 266 . 1 1 37 37 LEU HG H 1 1.670 0.000 . 1 . . . . 37 LEU HG . 17173 1 267 . 1 1 37 37 LEU CA C 13 55.000 0.000 . 1 . . . . 37 LEU CA . 17173 1 268 . 1 1 37 37 LEU CB C 13 40.200 0.000 . 1 . . . . 37 LEU CB . 17173 1 269 . 1 1 37 37 LEU CD1 C 13 20.216 0.025 . 1 . . . . 37 LEU CD1 . 17173 1 270 . 1 1 37 37 LEU CD2 C 13 22.938 0.006 . 1 . . . . 37 LEU CD2 . 17173 1 271 . 1 1 37 37 LEU CG C 13 24.800 0.000 . 1 . . . . 37 LEU CG . 17173 1 272 . 1 1 37 37 LEU N N 15 120.735 0.031 . 1 . . . . 37 LEU N . 17173 1 273 . 1 1 38 38 ASP H H 1 7.587 0.006 . 1 . . . . 38 ASP H . 17173 1 274 . 1 1 38 38 ASP HA H 1 4.470 0.000 . 1 . . . . 38 ASP HA . 17173 1 275 . 1 1 38 38 ASP HB2 H 1 2.090 0.000 . 2 . . . . 38 ASP HB2 . 17173 1 276 . 1 1 38 38 ASP HB3 H 1 2.370 0.000 . 2 . . . . 38 ASP HB3 . 17173 1 277 . 1 1 38 38 ASP CA C 13 52.280 0.000 . 1 . . . . 38 ASP CA . 17173 1 278 . 1 1 38 38 ASP CB C 13 38.930 0.000 . 1 . . . . 38 ASP CB . 17173 1 279 . 1 1 38 38 ASP N N 15 119.085 0.029 . 1 . . . . 38 ASP N . 17173 1 280 . 1 1 39 39 HIS H H 1 7.116 0.001 . 1 . . . . 39 HIS H . 17173 1 281 . 1 1 39 39 HIS HA H 1 4.640 0.000 . 1 . . . . 39 HIS HA . 17173 1 282 . 1 1 39 39 HIS HB2 H 1 2.150 0.000 . 2 . . . . 39 HIS HB2 . 17173 1 283 . 1 1 39 39 HIS HB3 H 1 3.220 0.000 . 2 . . . . 39 HIS HB3 . 17173 1 284 . 1 1 39 39 HIS CA C 13 52.280 0.000 . 1 . . . . 39 HIS CA . 17173 1 285 . 1 1 39 39 HIS CB C 13 25.500 0.000 . 1 . . . . 39 HIS CB . 17173 1 286 . 1 1 39 39 HIS N N 15 118.304 0.015 . 1 . . . . 39 HIS N . 17173 1 287 . 1 1 40 40 ILE H H 1 7.676 0.006 . 1 . . . . 40 ILE H . 17173 1 288 . 1 1 40 40 ILE HA H 1 3.450 0.000 . 1 . . . . 40 ILE HA . 17173 1 289 . 1 1 40 40 ILE HB H 1 1.380 0.000 . 1 . . . . 40 ILE HB . 17173 1 290 . 1 1 40 40 ILE HD11 H 1 0.691 0.000 . 1 . . . . 40 ILE QD1 . 17173 1 291 . 1 1 40 40 ILE HD12 H 1 0.691 0.000 . 1 . . . . 40 ILE QD1 . 17173 1 292 . 1 1 40 40 ILE HD13 H 1 0.691 0.000 . 1 . . . . 40 ILE QD1 . 17173 1 293 . 1 1 40 40 ILE HG12 H 1 1.790 0.000 . 2 . . . . 40 ILE HG12 . 17173 1 294 . 1 1 40 40 ILE HG13 H 1 1.790 0.000 . 2 . . . . 40 ILE HG13 . 17173 1 295 . 1 1 40 40 ILE HG21 H 1 0.600 0.000 . 1 . . . . 40 ILE QG2 . 17173 1 296 . 1 1 40 40 ILE HG22 H 1 0.600 0.000 . 1 . . . . 40 ILE QG2 . 17173 1 297 . 1 1 40 40 ILE HG23 H 1 0.600 0.000 . 1 . . . . 40 ILE QG2 . 17173 1 298 . 1 1 40 40 ILE CA C 13 62.470 0.000 . 1 . . . . 40 ILE CA . 17173 1 299 . 1 1 40 40 ILE CB C 13 36.040 0.000 . 1 . . . . 40 ILE CB . 17173 1 300 . 1 1 40 40 ILE CD1 C 13 12.100 0.000 . 1 . . . . 40 ILE CD1 . 17173 1 301 . 1 1 40 40 ILE CG1 C 13 27.480 0.000 . 1 . . . . 40 ILE CG1 . 17173 1 302 . 1 1 40 40 ILE CG2 C 13 15.870 0.000 . 1 . . . . 40 ILE CG2 . 17173 1 303 . 1 1 40 40 ILE N N 15 122.011 0.049 . 1 . . . . 40 ILE N . 17173 1 304 . 1 1 41 41 ASP H H 1 8.468 0.003 . 1 . . . . 41 ASP H . 17173 1 305 . 1 1 41 41 ASP HA H 1 4.210 0.000 . 1 . . . . 41 ASP HA . 17173 1 306 . 1 1 41 41 ASP HB2 H 1 2.550 0.001 . 2 . . . . 41 ASP HB2 . 17173 1 307 . 1 1 41 41 ASP HB3 H 1 2.633 0.001 . 2 . . . . 41 ASP HB3 . 17173 1 308 . 1 1 41 41 ASP CA C 13 54.130 0.000 . 1 . . . . 41 ASP CA . 17173 1 309 . 1 1 41 41 ASP CB C 13 36.770 0.000 . 1 . . . . 41 ASP CB . 17173 1 310 . 1 1 41 41 ASP CG C 13 6.709 0.000 . 1 . . . . 41 ASP CG . 17173 1 311 . 1 1 41 41 ASP N N 15 114.950 0.016 . 1 . . . . 41 ASP N . 17173 1 312 . 1 1 42 42 ILE H H 1 7.483 0.008 . 1 . . . . 42 ILE H . 17173 1 313 . 1 1 42 42 ILE HA H 1 4.750 0.000 . 1 . . . . 42 ILE HA . 17173 1 314 . 1 1 42 42 ILE HB H 1 2.013 0.001 . 1 . . . . 42 ILE HB . 17173 1 315 . 1 1 42 42 ILE HG12 H 1 1.040 0.000 . 2 . . . . 42 ILE HG12 . 17173 1 316 . 1 1 42 42 ILE HG13 H 1 1.545 0.000 . 2 . . . . 42 ILE HG13 . 17173 1 317 . 1 1 42 42 ILE HG21 H 1 0.760 0.000 . 1 . . . . 42 ILE QG2 . 17173 1 318 . 1 1 42 42 ILE HG22 H 1 0.760 0.000 . 1 . . . . 42 ILE QG2 . 17173 1 319 . 1 1 42 42 ILE HG23 H 1 0.760 0.000 . 1 . . . . 42 ILE QG2 . 17173 1 320 . 1 1 42 42 ILE CA C 13 58.280 0.000 . 1 . . . . 42 ILE CA . 17173 1 321 . 1 1 42 42 ILE CB C 13 34.890 0.000 . 1 . . . . 42 ILE CB . 17173 1 322 . 1 1 42 42 ILE CG1 C 13 25.600 0.000 . 1 . . . . 42 ILE CG1 . 17173 1 323 . 1 1 42 42 ILE CG2 C 13 15.216 0.009 . 1 . . . . 42 ILE CG2 . 17173 1 324 . 1 1 42 42 ILE N N 15 113.899 0.017 . 1 . . . . 42 ILE N . 17173 1 325 . 1 1 43 43 GLU H H 1 8.231 0.017 . 1 . . . . 43 GLU H . 17173 1 326 . 1 1 43 43 GLU HA H 1 4.055 0.000 . 1 . . . . 43 GLU HA . 17173 1 327 . 1 1 43 43 GLU HB2 H 1 2.310 0.000 . 2 . . . . 43 GLU HB2 . 17173 1 328 . 1 1 43 43 GLU HB3 H 1 2.490 0.000 . 2 . . . . 43 GLU HB3 . 17173 1 329 . 1 1 43 43 GLU HG2 H 1 2.520 0.000 . 2 . . . . 43 GLU HG2 . 17173 1 330 . 1 1 43 43 GLU HG3 H 1 2.520 0.000 . 2 . . . . 43 GLU HG3 . 17173 1 331 . 1 1 43 43 GLU CA C 13 56.770 0.000 . 1 . . . . 43 GLU CA . 17173 1 332 . 1 1 43 43 GLU CB C 13 24.030 0.000 . 1 . . . . 43 GLU CB . 17173 1 333 . 1 1 43 43 GLU CG C 13 30.700 0.000 . 1 . . . . 43 GLU CG . 17173 1 334 . 1 1 43 43 GLU N N 15 121.076 0.054 . 1 . . . . 43 GLU N . 17173 1 335 . 1 1 44 44 SER H H 1 8.756 0.005 . 1 . . . . 44 SER H . 17173 1 336 . 1 1 44 44 SER HA H 1 3.970 0.000 . 1 . . . . 44 SER HA . 17173 1 337 . 1 1 44 44 SER HB2 H 1 3.740 0.000 . 2 . . . . 44 SER HB2 . 17173 1 338 . 1 1 44 44 SER HB3 H 1 3.830 0.000 . 2 . . . . 44 SER HB3 . 17173 1 339 . 1 1 44 44 SER CA C 13 59.840 0.000 . 1 . . . . 44 SER CA . 17173 1 340 . 1 1 44 44 SER CB C 13 59.840 0.000 . 1 . . . . 44 SER CB . 17173 1 341 . 1 1 44 44 SER N N 15 114.001 0.018 . 1 . . . . 44 SER N . 17173 1 342 . 1 1 45 45 LYS H H 1 7.366 0.004 . 1 . . . . 45 LYS H . 17173 1 343 . 1 1 45 45 LYS HA H 1 4.100 0.000 . 1 . . . . 45 LYS HA . 17173 1 344 . 1 1 45 45 LYS HB2 H 1 1.550 0.000 . 2 . . . . 45 LYS HB2 . 17173 1 345 . 1 1 45 45 LYS HB3 H 1 1.624 0.000 . 2 . . . . 45 LYS HB3 . 17173 1 346 . 1 1 45 45 LYS HE2 H 1 2.225 0.000 . 2 . . . . 45 LYS HE2 . 17173 1 347 . 1 1 45 45 LYS HE3 H 1 2.409 0.000 . 2 . . . . 45 LYS HE3 . 17173 1 348 . 1 1 45 45 LYS HG2 H 1 1.173 0.000 . 2 . . . . 45 LYS HG2 . 17173 1 349 . 1 1 45 45 LYS HG3 H 1 1.265 0.000 . 2 . . . . 45 LYS HG3 . 17173 1 350 . 1 1 45 45 LYS CA C 13 56.330 0.000 . 1 . . . . 45 LYS CA . 17173 1 351 . 1 1 45 45 LYS CB C 13 30.300 0.000 . 1 . . . . 45 LYS CB . 17173 1 352 . 1 1 45 45 LYS CE C 13 38.928 0.000 . 1 . . . . 45 LYS CE . 17173 1 353 . 1 1 45 45 LYS CG C 13 22.330 0.000 . 1 . . . . 45 LYS CG . 17173 1 354 . 1 1 45 45 LYS N N 15 121.432 0.024 . 1 . . . . 45 LYS N . 17173 1 355 . 1 1 46 46 ILE H H 1 7.392 0.010 . 1 . . . . 46 ILE H . 17173 1 356 . 1 1 46 46 ILE HA H 1 3.390 0.000 . 1 . . . . 46 ILE HA . 17173 1 357 . 1 1 46 46 ILE HB H 1 1.854 0.000 . 1 . . . . 46 ILE HB . 17173 1 358 . 1 1 46 46 ILE HD11 H 1 0.750 0.000 . 1 . . . . 46 ILE QD1 . 17173 1 359 . 1 1 46 46 ILE HD12 H 1 0.750 0.000 . 1 . . . . 46 ILE QD1 . 17173 1 360 . 1 1 46 46 ILE HD13 H 1 0.750 0.000 . 1 . . . . 46 ILE QD1 . 17173 1 361 . 1 1 46 46 ILE HG12 H 1 0.310 0.000 . 2 . . . . 46 ILE HG12 . 17173 1 362 . 1 1 46 46 ILE HG13 H 1 1.580 0.000 . 2 . . . . 46 ILE HG13 . 17173 1 363 . 1 1 46 46 ILE HG21 H 1 0.740 0.000 . 1 . . . . 46 ILE QG2 . 17173 1 364 . 1 1 46 46 ILE HG22 H 1 0.740 0.000 . 1 . . . . 46 ILE QG2 . 17173 1 365 . 1 1 46 46 ILE HG23 H 1 0.740 0.000 . 1 . . . . 46 ILE QG2 . 17173 1 366 . 1 1 46 46 ILE CA C 13 63.260 0.000 . 1 . . . . 46 ILE CA . 17173 1 367 . 1 1 46 46 ILE CB C 13 36.708 0.232 . 1 . . . . 46 ILE CB . 17173 1 368 . 1 1 46 46 ILE CD1 C 13 12.200 0.000 . 1 . . . . 46 ILE CD1 . 17173 1 369 . 1 1 46 46 ILE CG1 C 13 26.400 0.000 . 1 . . . . 46 ILE CG1 . 17173 1 370 . 1 1 46 46 ILE CG2 C 13 13.600 0.000 . 1 . . . . 46 ILE CG2 . 17173 1 371 . 1 1 46 46 ILE N N 15 121.258 0.089 . 1 . . . . 46 ILE N . 17173 1 372 . 1 1 47 47 ILE H H 1 9.417 0.008 . 1 . . . . 47 ILE H . 17173 1 373 . 1 1 47 47 ILE HA H 1 3.760 0.000 . 1 . . . . 47 ILE HA . 17173 1 374 . 1 1 47 47 ILE HB H 1 2.340 0.000 . 1 . . . . 47 ILE HB . 17173 1 375 . 1 1 47 47 ILE HD11 H 1 0.630 0.000 . 1 . . . . 47 ILE QD1 . 17173 1 376 . 1 1 47 47 ILE HD12 H 1 0.630 0.000 . 1 . . . . 47 ILE QD1 . 17173 1 377 . 1 1 47 47 ILE HD13 H 1 0.630 0.000 . 1 . . . . 47 ILE QD1 . 17173 1 378 . 1 1 47 47 ILE HG12 H 1 1.500 0.000 . 2 . . . . 47 ILE HG12 . 17173 1 379 . 1 1 47 47 ILE HG13 H 1 2.112 0.000 . 2 . . . . 47 ILE HG13 . 17173 1 380 . 1 1 47 47 ILE HG21 H 1 0.829 0.000 . 1 . . . . 47 ILE QG2 . 17173 1 381 . 1 1 47 47 ILE HG22 H 1 0.829 0.000 . 1 . . . . 47 ILE QG2 . 17173 1 382 . 1 1 47 47 ILE HG23 H 1 0.829 0.000 . 1 . . . . 47 ILE QG2 . 17173 1 383 . 1 1 47 47 ILE CA C 13 58.554 0.158 . 1 . . . . 47 ILE CA . 17173 1 384 . 1 1 47 47 ILE CB C 13 32.075 0.161 . 1 . . . . 47 ILE CB . 17173 1 385 . 1 1 47 47 ILE CD1 C 13 6.300 0.000 . 1 . . . . 47 ILE CD1 . 17173 1 386 . 1 1 47 47 ILE CG1 C 13 25.164 0.000 . 1 . . . . 47 ILE CG1 . 17173 1 387 . 1 1 47 47 ILE CG2 C 13 15.900 0.000 . 1 . . . . 47 ILE CG2 . 17173 1 388 . 1 1 47 47 ILE N N 15 118.732 0.013 . 1 . . . . 47 ILE N . 17173 1 389 . 1 1 48 48 SER H H 1 7.441 0.006 . 1 . . . . 48 SER H . 17173 1 390 . 1 1 48 48 SER HA H 1 4.047 0.000 . 1 . . . . 48 SER HA . 17173 1 391 . 1 1 48 48 SER HB2 H 1 3.920 0.000 . 2 . . . . 48 SER HB2 . 17173 1 392 . 1 1 48 48 SER HB3 H 1 3.920 0.000 . 2 . . . . 48 SER HB3 . 17173 1 393 . 1 1 48 48 SER CA C 13 59.641 0.122 . 1 . . . . 48 SER CA . 17173 1 394 . 1 1 48 48 SER CB C 13 60.418 0.000 . 1 . . . . 48 SER CB . 17173 1 395 . 1 1 48 48 SER N N 15 113.188 0.013 . 1 . . . . 48 SER N . 17173 1 396 . 1 1 49 49 LEU H H 1 7.520 0.000 . 1 . . . . 49 LEU H . 17173 1 397 . 1 1 49 49 LEU HA H 1 4.200 0.000 . 1 . . . . 49 LEU HA . 17173 1 398 . 1 1 49 49 LEU HB2 H 1 2.030 0.000 . 2 . . . . 49 LEU HB2 . 17173 1 399 . 1 1 49 49 LEU HB3 H 1 1.680 0.000 . 2 . . . . 49 LEU HB3 . 17173 1 400 . 1 1 49 49 LEU HD11 H 1 1.010 0.000 . 2 . . . . 49 LEU QD1 . 17173 1 401 . 1 1 49 49 LEU HD12 H 1 1.010 0.000 . 2 . . . . 49 LEU QD1 . 17173 1 402 . 1 1 49 49 LEU HD13 H 1 1.010 0.000 . 2 . . . . 49 LEU QD1 . 17173 1 403 . 1 1 49 49 LEU HD21 H 1 0.940 0.000 . 2 . . . . 49 LEU QD2 . 17173 1 404 . 1 1 49 49 LEU HD22 H 1 0.940 0.000 . 2 . . . . 49 LEU QD2 . 17173 1 405 . 1 1 49 49 LEU HD23 H 1 0.940 0.000 . 2 . . . . 49 LEU QD2 . 17173 1 406 . 1 1 49 49 LEU HG H 1 1.800 0.000 . 1 . . . . 49 LEU HG . 17173 1 407 . 1 1 49 49 LEU CA C 13 55.730 0.000 . 1 . . . . 49 LEU CA . 17173 1 408 . 1 1 49 49 LEU CB C 13 39.650 0.000 . 1 . . . . 49 LEU CB . 17173 1 409 . 1 1 49 49 LEU CD1 C 13 23.189 0.014 . 1 . . . . 49 LEU CD1 . 17173 1 410 . 1 1 49 49 LEU CD2 C 13 23.163 0.000 . 1 . . . . 49 LEU CD2 . 17173 1 411 . 1 1 49 49 LEU CG C 13 24.860 0.000 . 1 . . . . 49 LEU CG . 17173 1 412 . 1 1 49 49 LEU N N 15 120.214 0.000 . 1 . . . . 49 LEU N . 17173 1 413 . 1 1 50 50 ILE H H 1 8.151 0.018 . 1 . . . . 50 ILE H . 17173 1 414 . 1 1 50 50 ILE HA H 1 4.140 0.000 . 1 . . . . 50 ILE HA . 17173 1 415 . 1 1 50 50 ILE HB H 1 2.190 0.000 . 1 . . . . 50 ILE HB . 17173 1 416 . 1 1 50 50 ILE HD11 H 1 0.760 0.000 . 1 . . . . 50 ILE QD1 . 17173 1 417 . 1 1 50 50 ILE HD12 H 1 0.760 0.000 . 1 . . . . 50 ILE QD1 . 17173 1 418 . 1 1 50 50 ILE HD13 H 1 0.760 0.000 . 1 . . . . 50 ILE QD1 . 17173 1 419 . 1 1 50 50 ILE HG21 H 1 0.920 0.000 . 1 . . . . 50 ILE QG2 . 17173 1 420 . 1 1 50 50 ILE HG22 H 1 0.920 0.000 . 1 . . . . 50 ILE QG2 . 17173 1 421 . 1 1 50 50 ILE HG23 H 1 0.920 0.000 . 1 . . . . 50 ILE QG2 . 17173 1 422 . 1 1 50 50 ILE CA C 13 62.760 0.000 . 1 . . . . 50 ILE CA . 17173 1 423 . 1 1 50 50 ILE CB C 13 34.360 0.000 . 1 . . . . 50 ILE CB . 17173 1 424 . 1 1 50 50 ILE CD1 C 13 12.310 0.000 . 1 . . . . 50 ILE CD1 . 17173 1 425 . 1 1 50 50 ILE CG2 C 13 14.840 0.000 . 1 . . . . 50 ILE CG2 . 17173 1 426 . 1 1 50 50 ILE N N 15 115.341 0.034 . 1 . . . . 50 ILE N . 17173 1 427 . 1 1 51 51 ILE H H 1 8.239 0.013 . 1 . . . . 51 ILE H . 17173 1 428 . 1 1 51 51 ILE HA H 1 3.474 0.000 . 1 . . . . 51 ILE HA . 17173 1 429 . 1 1 51 51 ILE HB H 1 1.820 0.002 . 1 . . . . 51 ILE HB . 17173 1 430 . 1 1 51 51 ILE HD11 H 1 0.653 0.001 . 1 . . . . 51 ILE QD1 . 17173 1 431 . 1 1 51 51 ILE HD12 H 1 0.653 0.001 . 1 . . . . 51 ILE QD1 . 17173 1 432 . 1 1 51 51 ILE HD13 H 1 0.653 0.001 . 1 . . . . 51 ILE QD1 . 17173 1 433 . 1 1 51 51 ILE HG12 H 1 1.754 0.000 . 2 . . . . 51 ILE HG12 . 17173 1 434 . 1 1 51 51 ILE HG13 H 1 1.754 0.000 . 2 . . . . 51 ILE HG13 . 17173 1 435 . 1 1 51 51 ILE HG21 H 1 0.817 0.001 . 1 . . . . 51 ILE QG2 . 17173 1 436 . 1 1 51 51 ILE HG22 H 1 0.817 0.001 . 1 . . . . 51 ILE QG2 . 17173 1 437 . 1 1 51 51 ILE HG23 H 1 0.817 0.001 . 1 . . . . 51 ILE QG2 . 17173 1 438 . 1 1 51 51 ILE CA C 13 64.120 0.000 . 1 . . . . 51 ILE CA . 17173 1 439 . 1 1 51 51 ILE CB C 13 35.380 0.220 . 1 . . . . 51 ILE CB . 17173 1 440 . 1 1 51 51 ILE CD1 C 13 13.009 0.001 . 1 . . . . 51 ILE CD1 . 17173 1 441 . 1 1 51 51 ILE CG1 C 13 27.545 0.000 . 1 . . . . 51 ILE CG1 . 17173 1 442 . 1 1 51 51 ILE CG2 C 13 14.406 0.000 . 1 . . . . 51 ILE CG2 . 17173 1 443 . 1 1 51 51 ILE N N 15 125.383 0.027 . 1 . . . . 51 ILE N . 17173 1 444 . 1 1 52 52 ASP H H 1 7.914 0.002 . 1 . . . . 52 ASP H . 17173 1 445 . 1 1 52 52 ASP HA H 1 4.250 0.000 . 1 . . . . 52 ASP HA . 17173 1 446 . 1 1 52 52 ASP HB2 H 1 2.726 0.000 . 2 . . . . 52 ASP HB2 . 17173 1 447 . 1 1 52 52 ASP HB3 H 1 2.507 0.000 . 2 . . . . 52 ASP HB3 . 17173 1 448 . 1 1 52 52 ASP CA C 13 55.080 0.000 . 1 . . . . 52 ASP CA . 17173 1 449 . 1 1 52 52 ASP CB C 13 37.910 0.000 . 1 . . . . 52 ASP CB . 17173 1 450 . 1 1 52 52 ASP N N 15 119.789 0.016 . 1 . . . . 52 ASP N . 17173 1 451 . 1 1 53 53 TYR H H 1 8.320 0.000 . 1 . . . . 53 TYR H . 17173 1 452 . 1 1 53 53 TYR HA H 1 3.940 0.000 . 1 . . . . 53 TYR HA . 17173 1 453 . 1 1 53 53 TYR HB2 H 1 3.040 0.000 . 2 . . . . 53 TYR HB2 . 17173 1 454 . 1 1 53 53 TYR HB3 H 1 2.820 0.000 . 2 . . . . 53 TYR HB3 . 17173 1 455 . 1 1 53 53 TYR CA C 13 59.449 0.097 . 1 . . . . 53 TYR CA . 17173 1 456 . 1 1 53 53 TYR CB C 13 35.810 0.000 . 1 . . . . 53 TYR CB . 17173 1 457 . 1 1 53 53 TYR N N 15 118.508 0.022 . 1 . . . . 53 TYR N . 17173 1 458 . 1 1 54 54 SER H H 1 7.369 0.004 . 1 . . . . 54 SER H . 17173 1 459 . 1 1 54 54 SER HA H 1 3.860 0.000 . 1 . . . . 54 SER HA . 17173 1 460 . 1 1 54 54 SER CA C 13 58.700 0.000 . 1 . . . . 54 SER CA . 17173 1 461 . 1 1 54 54 SER CB C 13 61.921 0.075 . 1 . . . . 54 SER CB . 17173 1 462 . 1 1 54 54 SER N N 15 111.780 0.024 . 1 . . . . 54 SER N . 17173 1 463 . 1 1 55 55 ARG H H 1 7.958 0.009 . 1 . . . . 55 ARG H . 17173 1 464 . 1 1 55 55 ARG HA H 1 4.184 0.000 . 1 . . . . 55 ARG HA . 17173 1 465 . 1 1 55 55 ARG HB2 H 1 1.600 0.000 . 2 . . . . 55 ARG HB2 . 17173 1 466 . 1 1 55 55 ARG HB3 H 1 1.822 0.000 . 2 . . . . 55 ARG HB3 . 17173 1 467 . 1 1 55 55 ARG CA C 13 56.840 0.000 . 1 . . . . 55 ARG CA . 17173 1 468 . 1 1 55 55 ARG CB C 13 28.410 0.000 . 1 . . . . 55 ARG CB . 17173 1 469 . 1 1 55 55 ARG N N 15 115.090 0.064 . 1 . . . . 55 ARG N . 17173 1 470 . 1 1 56 56 LEU H H 1 7.874 0.009 . 1 . . . . 56 LEU H . 17173 1 471 . 1 1 56 56 LEU HA H 1 4.230 0.007 . 1 . . . . 56 LEU HA . 17173 1 472 . 1 1 56 56 LEU HB2 H 1 1.330 0.000 . 2 . . . . 56 LEU HB2 . 17173 1 473 . 1 1 56 56 LEU HB3 H 1 1.570 0.000 . 2 . . . . 56 LEU HB3 . 17173 1 474 . 1 1 56 56 LEU HD21 H 1 0.656 0.000 . 2 . . . . 56 LEU QD2 . 17173 1 475 . 1 1 56 56 LEU HD22 H 1 0.656 0.000 . 2 . . . . 56 LEU QD2 . 17173 1 476 . 1 1 56 56 LEU HD23 H 1 0.656 0.000 . 2 . . . . 56 LEU QD2 . 17173 1 477 . 1 1 56 56 LEU HG H 1 1.600 0.000 . 1 . . . . 56 LEU HG . 17173 1 478 . 1 1 56 56 LEU CA C 13 52.780 0.000 . 1 . . . . 56 LEU CA . 17173 1 479 . 1 1 56 56 LEU CB C 13 40.790 0.000 . 1 . . . . 56 LEU CB . 17173 1 480 . 1 1 56 56 LEU CD2 C 13 20.064 0.000 . 1 . . . . 56 LEU CD2 . 17173 1 481 . 1 1 56 56 LEU CG C 13 24.210 0.000 . 1 . . . . 56 LEU CG . 17173 1 482 . 1 1 56 56 LEU N N 15 116.482 0.035 . 1 . . . . 56 LEU N . 17173 1 483 . 1 1 57 57 CYS H H 1 7.782 0.006 . 1 . . . . 57 CYS H . 17173 1 484 . 1 1 57 57 CYS HA H 1 4.280 0.005 . 1 . . . . 57 CYS HA . 17173 1 485 . 1 1 57 57 CYS HB2 H 1 2.001 0.000 . 2 . . . . 57 CYS HB2 . 17173 1 486 . 1 1 57 57 CYS HB3 H 1 2.526 0.000 . 2 . . . . 57 CYS HB3 . 17173 1 487 . 1 1 57 57 CYS CA C 13 54.300 0.000 . 1 . . . . 57 CYS CA . 17173 1 488 . 1 1 57 57 CYS CB C 13 21.970 0.000 . 1 . . . . 57 CYS CB . 17173 1 489 . 1 1 57 57 CYS N N 15 119.114 0.136 . 1 . . . . 57 CYS N . 17173 1 490 . 1 1 58 58 PRO CA C 13 60.159 0.013 . 1 . . . . 58 PRO CA . 17173 1 491 . 1 1 58 58 PRO CB C 13 29.634 0.000 . 1 . . . . 58 PRO CB . 17173 1 492 . 1 1 59 59 ASP H H 1 8.750 0.004 . 1 . . . . 59 ASP H . 17173 1 493 . 1 1 59 59 ASP HA H 1 3.940 0.000 . 1 . . . . 59 ASP HA . 17173 1 494 . 1 1 59 59 ASP HB2 H 1 2.655 0.000 . 2 . . . . 59 ASP HB2 . 17173 1 495 . 1 1 59 59 ASP HB3 H 1 2.920 0.000 . 2 . . . . 59 ASP HB3 . 17173 1 496 . 1 1 59 59 ASP CA C 13 55.780 0.000 . 1 . . . . 59 ASP CA . 17173 1 497 . 1 1 59 59 ASP CB C 13 36.940 0.000 . 1 . . . . 59 ASP CB . 17173 1 498 . 1 1 59 59 ASP N N 15 123.875 0.035 . 1 . . . . 59 ASP N . 17173 1 499 . 1 1 60 60 SER H H 1 8.161 0.004 . 1 . . . . 60 SER H . 17173 1 500 . 1 1 60 60 SER HA H 1 4.120 0.000 . 1 . . . . 60 SER HA . 17173 1 501 . 1 1 60 60 SER HB2 H 1 3.910 0.000 . 2 . . . . 60 SER HB2 . 17173 1 502 . 1 1 60 60 SER HB3 H 1 4.230 0.000 . 2 . . . . 60 SER HB3 . 17173 1 503 . 1 1 60 60 SER CA C 13 57.590 0.000 . 1 . . . . 60 SER CA . 17173 1 504 . 1 1 60 60 SER CB C 13 61.610 0.000 . 1 . . . . 60 SER CB . 17173 1 505 . 1 1 60 60 SER N N 15 110.825 0.075 . 1 . . . . 60 SER N . 17173 1 506 . 1 1 61 61 HIS H H 1 8.183 0.010 . 1 . . . . 61 HIS H . 17173 1 507 . 1 1 61 61 HIS HA H 1 4.640 0.000 . 1 . . . . 61 HIS HA . 17173 1 508 . 1 1 61 61 HIS HB2 H 1 2.880 0.000 . 2 . . . . 61 HIS HB2 . 17173 1 509 . 1 1 61 61 HIS HB3 H 1 3.350 0.000 . 2 . . . . 61 HIS HB3 . 17173 1 510 . 1 1 61 61 HIS CA C 13 54.880 0.000 . 1 . . . . 61 HIS CA . 17173 1 511 . 1 1 61 61 HIS CB C 13 30.000 0.000 . 1 . . . . 61 HIS CB . 17173 1 512 . 1 1 61 61 HIS N N 15 122.598 0.038 . 1 . . . . 61 HIS N . 17173 1 513 . 1 1 62 62 LYS H H 1 7.567 0.007 . 1 . . . . 62 LYS H . 17173 1 514 . 1 1 62 62 LYS HA H 1 3.690 0.006 . 1 . . . . 62 LYS HA . 17173 1 515 . 1 1 62 62 LYS CA C 13 55.620 0.000 . 1 . . . . 62 LYS CA . 17173 1 516 . 1 1 62 62 LYS N N 15 121.874 0.037 . 1 . . . . 62 LYS N . 17173 1 517 . 1 1 63 63 LEU HA H 1 3.520 0.000 . 1 . . . . 63 LEU HA . 17173 1 518 . 1 1 63 63 LEU HB2 H 1 0.740 0.000 . 2 . . . . 63 LEU HB2 . 17173 1 519 . 1 1 63 63 LEU HB3 H 1 1.440 0.000 . 2 . . . . 63 LEU HB3 . 17173 1 520 . 1 1 63 63 LEU HD11 H 1 0.170 0.000 . 2 . . . . 63 LEU QD1 . 17173 1 521 . 1 1 63 63 LEU HD12 H 1 0.170 0.000 . 2 . . . . 63 LEU QD1 . 17173 1 522 . 1 1 63 63 LEU HD13 H 1 0.170 0.000 . 2 . . . . 63 LEU QD1 . 17173 1 523 . 1 1 63 63 LEU HD21 H 1 0.120 0.000 . 2 . . . . 63 LEU QD2 . 17173 1 524 . 1 1 63 63 LEU HD22 H 1 0.120 0.000 . 2 . . . . 63 LEU QD2 . 17173 1 525 . 1 1 63 63 LEU HD23 H 1 0.120 0.000 . 2 . . . . 63 LEU QD2 . 17173 1 526 . 1 1 63 63 LEU HG H 1 0.308 0.000 . 1 . . . . 63 LEU HG . 17173 1 527 . 1 1 63 63 LEU CA C 13 56.700 0.000 . 1 . . . . 63 LEU CA . 17173 1 528 . 1 1 63 63 LEU CB C 13 37.900 0.000 . 1 . . . . 63 LEU CB . 17173 1 529 . 1 1 63 63 LEU CD1 C 13 20.160 0.000 . 1 . . . . 63 LEU CD1 . 17173 1 530 . 1 1 63 63 LEU CD2 C 13 22.860 0.000 . 1 . . . . 63 LEU CD2 . 17173 1 531 . 1 1 63 63 LEU CG C 13 24.210 0.000 . 1 . . . . 63 LEU CG . 17173 1 532 . 1 1 64 64 GLY H H 1 8.789 0.019 . 1 . . . . 64 GLY H . 17173 1 533 . 1 1 64 64 GLY HA2 H 1 3.480 0.000 . 2 . . . . 64 GLY HA2 . 17173 1 534 . 1 1 64 64 GLY HA3 H 1 3.910 0.000 . 2 . . . . 64 GLY HA3 . 17173 1 535 . 1 1 64 64 GLY CA C 13 45.315 0.272 . 1 . . . . 64 GLY CA . 17173 1 536 . 1 1 64 64 GLY N N 15 106.105 0.012 . 1 . . . . 64 GLY N . 17173 1 537 . 1 1 65 65 SER H H 1 8.026 0.006 . 1 . . . . 65 SER H . 17173 1 538 . 1 1 65 65 SER HA H 1 4.310 0.000 . 1 . . . . 65 SER HA . 17173 1 539 . 1 1 65 65 SER CA C 13 59.090 0.000 . 1 . . . . 65 SER CA . 17173 1 540 . 1 1 65 65 SER CB C 13 60.659 0.051 . 1 . . . . 65 SER CB . 17173 1 541 . 1 1 65 65 SER N N 15 118.219 0.012 . 1 . . . . 65 SER N . 17173 1 542 . 1 1 66 66 LEU H H 1 7.528 0.013 . 1 . . . . 66 LEU H . 17173 1 543 . 1 1 66 66 LEU HA H 1 4.330 0.000 . 1 . . . . 66 LEU HA . 17173 1 544 . 1 1 66 66 LEU HB2 H 1 1.309 0.007 . 2 . . . . 66 LEU HB2 . 17173 1 545 . 1 1 66 66 LEU HB3 H 1 1.934 0.000 . 2 . . . . 66 LEU HB3 . 17173 1 546 . 1 1 66 66 LEU HD11 H 1 0.640 0.000 . 2 . . . . 66 LEU QD1 . 17173 1 547 . 1 1 66 66 LEU HD12 H 1 0.640 0.000 . 2 . . . . 66 LEU QD1 . 17173 1 548 . 1 1 66 66 LEU HD13 H 1 0.640 0.000 . 2 . . . . 66 LEU QD1 . 17173 1 549 . 1 1 66 66 LEU CA C 13 54.405 0.326 . 1 . . . . 66 LEU CA . 17173 1 550 . 1 1 66 66 LEU CB C 13 38.370 0.000 . 1 . . . . 66 LEU CB . 17173 1 551 . 1 1 66 66 LEU CD1 C 13 25.000 0.000 . 1 . . . . 66 LEU CD1 . 17173 1 552 . 1 1 66 66 LEU N N 15 124.658 0.031 . 1 . . . . 66 LEU N . 17173 1 553 . 1 1 67 67 TYR H H 1 8.217 0.007 . 1 . . . . 67 TYR H . 17173 1 554 . 1 1 67 67 TYR HA H 1 4.830 0.000 . 1 . . . . 67 TYR HA . 17173 1 555 . 1 1 67 67 TYR HB2 H 1 3.030 0.000 . 2 . . . . 67 TYR HB2 . 17173 1 556 . 1 1 67 67 TYR HB3 H 1 3.250 0.000 . 2 . . . . 67 TYR HB3 . 17173 1 557 . 1 1 67 67 TYR CA C 13 54.641 0.109 . 1 . . . . 67 TYR CA . 17173 1 558 . 1 1 67 67 TYR CB C 13 33.491 0.000 . 1 . . . . 67 TYR CB . 17173 1 559 . 1 1 67 67 TYR N N 15 120.426 0.128 . 1 . . . . 67 TYR N . 17173 1 560 . 1 1 68 68 ILE H H 1 8.185 0.006 . 1 . . . . 68 ILE H . 17173 1 561 . 1 1 68 68 ILE HA H 1 3.450 0.000 . 1 . . . . 68 ILE HA . 17173 1 562 . 1 1 68 68 ILE HB H 1 1.894 0.000 . 1 . . . . 68 ILE HB . 17173 1 563 . 1 1 68 68 ILE HD11 H 1 -0.390 0.000 . 1 . . . . 68 ILE QD1 . 17173 1 564 . 1 1 68 68 ILE HD12 H 1 -0.390 0.000 . 1 . . . . 68 ILE QD1 . 17173 1 565 . 1 1 68 68 ILE HD13 H 1 -0.390 0.000 . 1 . . . . 68 ILE QD1 . 17173 1 566 . 1 1 68 68 ILE HG12 H 1 0.212 0.000 . 2 . . . . 68 ILE HG12 . 17173 1 567 . 1 1 68 68 ILE HG13 H 1 1.549 0.000 . 2 . . . . 68 ILE HG13 . 17173 1 568 . 1 1 68 68 ILE HG21 H 1 0.610 0.000 . 1 . . . . 68 ILE QG2 . 17173 1 569 . 1 1 68 68 ILE HG22 H 1 0.610 0.000 . 1 . . . . 68 ILE QG2 . 17173 1 570 . 1 1 68 68 ILE HG23 H 1 0.610 0.000 . 1 . . . . 68 ILE QG2 . 17173 1 571 . 1 1 68 68 ILE CA C 13 64.570 0.000 . 1 . . . . 68 ILE CA . 17173 1 572 . 1 1 68 68 ILE CB C 13 36.020 0.000 . 1 . . . . 68 ILE CB . 17173 1 573 . 1 1 68 68 ILE CD1 C 13 10.175 0.000 . 1 . . . . 68 ILE CD1 . 17173 1 574 . 1 1 68 68 ILE CG1 C 13 27.256 0.000 . 1 . . . . 68 ILE CG1 . 17173 1 575 . 1 1 68 68 ILE CG2 C 13 15.664 0.000 . 1 . . . . 68 ILE CG2 . 17173 1 576 . 1 1 68 68 ILE N N 15 124.681 0.027 . 1 . . . . 68 ILE N . 17173 1 577 . 1 1 69 69 ILE H H 1 7.165 0.007 . 1 . . . . 69 ILE H . 17173 1 578 . 1 1 69 69 ILE HA H 1 3.320 0.000 . 1 . . . . 69 ILE HA . 17173 1 579 . 1 1 69 69 ILE HB H 1 2.044 0.000 . 1 . . . . 69 ILE HB . 17173 1 580 . 1 1 69 69 ILE HD11 H 1 0.730 0.000 . 1 . . . . 69 ILE QD1 . 17173 1 581 . 1 1 69 69 ILE HD12 H 1 0.730 0.000 . 1 . . . . 69 ILE QD1 . 17173 1 582 . 1 1 69 69 ILE HD13 H 1 0.730 0.000 . 1 . . . . 69 ILE QD1 . 17173 1 583 . 1 1 69 69 ILE HG21 H 1 0.760 0.000 . 1 . . . . 69 ILE QG2 . 17173 1 584 . 1 1 69 69 ILE HG22 H 1 0.760 0.000 . 1 . . . . 69 ILE QG2 . 17173 1 585 . 1 1 69 69 ILE HG23 H 1 0.760 0.000 . 1 . . . . 69 ILE QG2 . 17173 1 586 . 1 1 69 69 ILE CA C 13 64.120 0.000 . 1 . . . . 69 ILE CA . 17173 1 587 . 1 1 69 69 ILE CB C 13 36.069 0.239 . 1 . . . . 69 ILE CB . 17173 1 588 . 1 1 69 69 ILE CD1 C 13 11.400 0.000 . 1 . . . . 69 ILE CD1 . 17173 1 589 . 1 1 69 69 ILE CG2 C 13 12.300 0.000 . 1 . . . . 69 ILE CG2 . 17173 1 590 . 1 1 69 69 ILE N N 15 119.303 0.036 . 1 . . . . 69 ILE N . 17173 1 591 . 1 1 70 70 ASP H H 1 9.217 0.002 . 1 . . . . 70 ASP H . 17173 1 592 . 1 1 70 70 ASP HA H 1 4.410 0.000 . 1 . . . . 70 ASP HA . 17173 1 593 . 1 1 70 70 ASP HB2 H 1 3.060 0.000 . 2 . . . . 70 ASP HB2 . 17173 1 594 . 1 1 70 70 ASP HB3 H 1 3.410 0.000 . 2 . . . . 70 ASP HB3 . 17173 1 595 . 1 1 70 70 ASP CA C 13 55.800 0.000 . 1 . . . . 70 ASP CA . 17173 1 596 . 1 1 70 70 ASP CB C 13 41.470 0.000 . 1 . . . . 70 ASP CB . 17173 1 597 . 1 1 70 70 ASP N N 15 117.875 0.015 . 1 . . . . 70 ASP N . 17173 1 598 . 1 1 71 71 SER H H 1 7.646 0.011 . 1 . . . . 71 SER H . 17173 1 599 . 1 1 71 71 SER HA H 1 4.017 0.000 . 1 . . . . 71 SER HA . 17173 1 600 . 1 1 71 71 SER HB2 H 1 3.776 0.000 . 2 . . . . 71 SER HB2 . 17173 1 601 . 1 1 71 71 SER HB3 H 1 3.776 0.000 . 2 . . . . 71 SER HB3 . 17173 1 602 . 1 1 71 71 SER CA C 13 58.784 0.113 . 1 . . . . 71 SER CA . 17173 1 603 . 1 1 71 71 SER CB C 13 60.975 0.149 . 1 . . . . 71 SER CB . 17173 1 604 . 1 1 71 71 SER N N 15 110.388 0.029 . 1 . . . . 71 SER N . 17173 1 605 . 1 1 72 72 ILE H H 1 7.907 0.006 . 1 . . . . 72 ILE H . 17173 1 606 . 1 1 72 72 ILE HA H 1 3.300 0.004 . 1 . . . . 72 ILE HA . 17173 1 607 . 1 1 72 72 ILE HB H 1 1.320 0.018 . 1 . . . . 72 ILE HB . 17173 1 608 . 1 1 72 72 ILE HD11 H 1 0.022 0.000 . 1 . . . . 72 ILE QD1 . 17173 1 609 . 1 1 72 72 ILE HD12 H 1 0.022 0.000 . 1 . . . . 72 ILE QD1 . 17173 1 610 . 1 1 72 72 ILE HD13 H 1 0.022 0.000 . 1 . . . . 72 ILE QD1 . 17173 1 611 . 1 1 72 72 ILE HG12 H 1 0.640 0.000 . 2 . . . . 72 ILE HG12 . 17173 1 612 . 1 1 72 72 ILE HG13 H 1 1.756 0.000 . 2 . . . . 72 ILE HG13 . 17173 1 613 . 1 1 72 72 ILE HG21 H 1 0.691 0.000 . 1 . . . . 72 ILE QG2 . 17173 1 614 . 1 1 72 72 ILE HG22 H 1 0.691 0.000 . 1 . . . . 72 ILE QG2 . 17173 1 615 . 1 1 72 72 ILE HG23 H 1 0.691 0.000 . 1 . . . . 72 ILE QG2 . 17173 1 616 . 1 1 72 72 ILE CA C 13 63.332 0.111 . 1 . . . . 72 ILE CA . 17173 1 617 . 1 1 72 72 ILE CB C 13 35.719 0.165 . 1 . . . . 72 ILE CB . 17173 1 618 . 1 1 72 72 ILE CD1 C 13 12.887 0.000 . 1 . . . . 72 ILE CD1 . 17173 1 619 . 1 1 72 72 ILE CG1 C 13 29.093 0.000 . 1 . . . . 72 ILE CG1 . 17173 1 620 . 1 1 72 72 ILE CG2 C 13 11.285 0.000 . 1 . . . . 72 ILE CG2 . 17173 1 621 . 1 1 72 72 ILE N N 15 118.385 0.068 . 1 . . . . 72 ILE N . 17173 1 622 . 1 1 73 73 GLY H H 1 8.862 0.013 . 1 . . . . 73 GLY H . 17173 1 623 . 1 1 73 73 GLY HA2 H 1 3.190 0.000 . 2 . . . . 73 GLY HA2 . 17173 1 624 . 1 1 73 73 GLY HA3 H 1 3.360 0.000 . 2 . . . . 73 GLY HA3 . 17173 1 625 . 1 1 73 73 GLY CA C 13 44.750 0.000 . 1 . . . . 73 GLY CA . 17173 1 626 . 1 1 73 73 GLY N N 15 107.150 0.038 . 1 . . . . 73 GLY N . 17173 1 627 . 1 1 74 74 ARG H H 1 8.622 0.008 . 1 . . . . 74 ARG H . 17173 1 628 . 1 1 74 74 ARG HA H 1 3.900 0.000 . 1 . . . . 74 ARG HA . 17173 1 629 . 1 1 74 74 ARG HB2 H 1 1.670 0.000 . 2 . . . . 74 ARG HB2 . 17173 1 630 . 1 1 74 74 ARG HB3 H 1 2.060 0.000 . 2 . . . . 74 ARG HB3 . 17173 1 631 . 1 1 74 74 ARG HG2 H 1 1.160 0.000 . 2 . . . . 74 ARG HG2 . 17173 1 632 . 1 1 74 74 ARG HG3 H 1 2.070 0.000 . 2 . . . . 74 ARG HG3 . 17173 1 633 . 1 1 74 74 ARG CA C 13 59.180 0.000 . 1 . . . . 74 ARG CA . 17173 1 634 . 1 1 74 74 ARG CB C 13 27.550 0.000 . 1 . . . . 74 ARG CB . 17173 1 635 . 1 1 74 74 ARG CG C 13 30.610 0.000 . 1 . . . . 74 ARG CG . 17173 1 636 . 1 1 74 74 ARG N N 15 118.156 0.012 . 1 . . . . 74 ARG N . 17173 1 637 . 1 1 75 75 ALA H H 1 7.632 0.004 . 1 . . . . 75 ALA H . 17173 1 638 . 1 1 75 75 ALA HA H 1 4.233 0.000 . 1 . . . . 75 ALA HA . 17173 1 639 . 1 1 75 75 ALA HB1 H 1 1.440 0.000 . 1 . . . . 75 ALA QB . 17173 1 640 . 1 1 75 75 ALA HB2 H 1 1.440 0.000 . 1 . . . . 75 ALA QB . 17173 1 641 . 1 1 75 75 ALA HB3 H 1 1.440 0.000 . 1 . . . . 75 ALA QB . 17173 1 642 . 1 1 75 75 ALA CA C 13 52.820 0.000 . 1 . . . . 75 ALA CA . 17173 1 643 . 1 1 75 75 ALA CB C 13 15.360 0.000 . 1 . . . . 75 ALA CB . 17173 1 644 . 1 1 75 75 ALA N N 15 123.365 0.031 . 1 . . . . 75 ALA N . 17173 1 645 . 1 1 76 76 TYR HA H 1 4.730 0.000 . 1 . . . . 76 TYR HA . 17173 1 646 . 1 1 76 76 TYR HB2 H 1 2.287 0.000 . 2 . . . . 76 TYR HB2 . 17173 1 647 . 1 1 76 76 TYR HB3 H 1 2.287 0.000 . 2 . . . . 76 TYR HB3 . 17173 1 648 . 1 1 76 76 TYR CA C 13 55.097 0.119 . 1 . . . . 76 TYR CA . 17173 1 649 . 1 1 76 76 TYR CB C 13 33.323 0.027 . 1 . . . . 76 TYR CB . 17173 1 650 . 1 1 77 77 LEU H H 1 8.733 0.019 . 1 . . . . 77 LEU H . 17173 1 651 . 1 1 77 77 LEU HA H 1 3.850 0.000 . 1 . . . . 77 LEU HA . 17173 1 652 . 1 1 77 77 LEU HB2 H 1 1.340 0.000 . 2 . . . . 77 LEU HB2 . 17173 1 653 . 1 1 77 77 LEU HB3 H 1 1.920 0.000 . 2 . . . . 77 LEU HB3 . 17173 1 654 . 1 1 77 77 LEU HD11 H 1 0.690 0.000 . 2 . . . . 77 LEU QD1 . 17173 1 655 . 1 1 77 77 LEU HD12 H 1 0.690 0.000 . 2 . . . . 77 LEU QD1 . 17173 1 656 . 1 1 77 77 LEU HD13 H 1 0.690 0.000 . 2 . . . . 77 LEU QD1 . 17173 1 657 . 1 1 77 77 LEU CA C 13 55.100 0.000 . 1 . . . . 77 LEU CA . 17173 1 658 . 1 1 77 77 LEU CB C 13 39.700 0.000 . 1 . . . . 77 LEU CB . 17173 1 659 . 1 1 77 77 LEU CD1 C 13 20.550 0.000 . 1 . . . . 77 LEU CD1 . 17173 1 660 . 1 1 77 77 LEU N N 15 123.687 0.107 . 1 . . . . 77 LEU N . 17173 1 661 . 1 1 78 78 ASP H H 1 8.020 0.000 . 1 . . . . 78 ASP H . 17173 1 662 . 1 1 78 78 ASP HA H 1 4.310 0.000 . 1 . . . . 78 ASP HA . 17173 1 663 . 1 1 78 78 ASP HB2 H 1 2.790 0.000 . 2 . . . . 78 ASP HB2 . 17173 1 664 . 1 1 78 78 ASP HB3 H 1 2.640 0.000 . 2 . . . . 78 ASP HB3 . 17173 1 665 . 1 1 78 78 ASP CA C 13 54.900 0.000 . 1 . . . . 78 ASP CA . 17173 1 666 . 1 1 78 78 ASP CB C 13 37.800 0.000 . 1 . . . . 78 ASP CB . 17173 1 667 . 1 1 78 78 ASP N N 15 120.800 0.000 . 1 . . . . 78 ASP N . 17173 1 668 . 1 1 79 79 GLU H H 1 7.537 0.005 . 1 . . . . 79 GLU H . 17173 1 669 . 1 1 79 79 GLU HA H 1 4.050 0.000 . 1 . . . . 79 GLU HA . 17173 1 670 . 1 1 79 79 GLU HG2 H 1 2.250 0.000 . 2 . . . . 79 GLU HG2 . 17173 1 671 . 1 1 79 79 GLU HG3 H 1 2.250 0.000 . 2 . . . . 79 GLU HG3 . 17173 1 672 . 1 1 79 79 GLU CA C 13 56.500 0.000 . 1 . . . . 79 GLU CA . 17173 1 673 . 1 1 79 79 GLU CB C 13 26.900 0.000 . 1 . . . . 79 GLU CB . 17173 1 674 . 1 1 79 79 GLU N N 15 120.767 0.089 . 1 . . . . 79 GLU N . 17173 1 675 . 1 1 80 80 THR H H 1 7.910 0.005 . 1 . . . . 80 THR H . 17173 1 676 . 1 1 80 80 THR HA H 1 4.188 0.008 . 1 . . . . 80 THR HA . 17173 1 677 . 1 1 80 80 THR HB H 1 4.164 0.000 . 1 . . . . 80 THR HB . 17173 1 678 . 1 1 80 80 THR HG21 H 1 1.224 0.000 . 1 . . . . 80 THR QG2 . 17173 1 679 . 1 1 80 80 THR HG22 H 1 1.224 0.000 . 1 . . . . 80 THR QG2 . 17173 1 680 . 1 1 80 80 THR HG23 H 1 1.224 0.000 . 1 . . . . 80 THR QG2 . 17173 1 681 . 1 1 80 80 THR CA C 13 61.718 0.098 . 1 . . . . 80 THR CA . 17173 1 682 . 1 1 80 80 THR CB C 13 67.167 0.162 . 1 . . . . 80 THR CB . 17173 1 683 . 1 1 80 80 THR CG2 C 13 19.254 0.000 . 1 . . . . 80 THR CG2 . 17173 1 684 . 1 1 80 80 THR N N 15 111.238 0.034 . 1 . . . . 80 THR N . 17173 1 685 . 1 1 81 81 ARG H H 1 7.525 0.007 . 1 . . . . 81 ARG H . 17173 1 686 . 1 1 81 81 ARG N N 15 120.242 0.094 . 1 . . . . 81 ARG N . 17173 1 687 . 1 1 91 91 PRO CA C 13 60.380 0.000 . 1 . . . . 91 PRO CA . 17173 1 688 . 1 1 91 91 PRO CB C 13 28.503 0.000 . 1 . . . . 91 PRO CB . 17173 1 689 . 1 1 92 92 GLY H H 1 10.214 0.008 . 1 . . . . 92 GLY H . 17173 1 690 . 1 1 92 92 GLY HA2 H 1 4.040 0.000 . 2 . . . . 92 GLY HA2 . 17173 1 691 . 1 1 92 92 GLY HA3 H 1 4.250 0.000 . 2 . . . . 92 GLY HA3 . 17173 1 692 . 1 1 92 92 GLY CA C 13 43.042 0.000 . 1 . . . . 92 GLY CA . 17173 1 693 . 1 1 92 92 GLY N N 15 112.695 0.010 . 1 . . . . 92 GLY N . 17173 1 694 . 1 1 93 93 THR H H 1 7.228 0.002 . 1 . . . . 93 THR H . 17173 1 695 . 1 1 93 93 THR HA H 1 4.560 0.002 . 1 . . . . 93 THR HA . 17173 1 696 . 1 1 93 93 THR HB H 1 4.349 0.000 . 1 . . . . 93 THR HB . 17173 1 697 . 1 1 93 93 THR HG21 H 1 1.017 0.000 . 1 . . . . 93 THR QG2 . 17173 1 698 . 1 1 93 93 THR HG22 H 1 1.017 0.000 . 1 . . . . 93 THR QG2 . 17173 1 699 . 1 1 93 93 THR HG23 H 1 1.017 0.000 . 1 . . . . 93 THR QG2 . 17173 1 700 . 1 1 93 93 THR CA C 13 56.383 0.003 . 1 . . . . 93 THR CA . 17173 1 701 . 1 1 93 93 THR CB C 13 70.699 0.148 . 1 . . . . 93 THR CB . 17173 1 702 . 1 1 93 93 THR CG2 C 13 18.641 0.000 . 1 . . . . 93 THR CG2 . 17173 1 703 . 1 1 93 93 THR N N 15 106.473 0.036 . 1 . . . . 93 THR N . 17173 1 704 . 1 1 94 94 CYS H H 1 8.796 0.022 . 1 . . . . 94 CYS H . 17173 1 705 . 1 1 94 94 CYS HA H 1 3.460 0.000 . 1 . . . . 94 CYS HA . 17173 1 706 . 1 1 94 94 CYS HB2 H 1 2.460 0.000 . 2 . . . . 94 CYS HB2 . 17173 1 707 . 1 1 94 94 CYS HB3 H 1 2.590 0.000 . 2 . . . . 94 CYS HB3 . 17173 1 708 . 1 1 94 94 CYS CA C 13 60.533 0.063 . 1 . . . . 94 CYS CA . 17173 1 709 . 1 1 94 94 CYS CB C 13 25.118 0.000 . 1 . . . . 94 CYS CB . 17173 1 710 . 1 1 94 94 CYS N N 15 121.558 0.014 . 1 . . . . 94 CYS N . 17173 1 711 . 1 1 95 95 ALA H H 1 8.420 0.000 . 1 . . . . 95 ALA H . 17173 1 712 . 1 1 95 95 ALA HA H 1 3.860 0.000 . 1 . . . . 95 ALA HA . 17173 1 713 . 1 1 95 95 ALA HB1 H 1 1.310 0.000 . 1 . . . . 95 ALA QB . 17173 1 714 . 1 1 95 95 ALA HB2 H 1 1.310 0.000 . 1 . . . . 95 ALA QB . 17173 1 715 . 1 1 95 95 ALA HB3 H 1 1.310 0.000 . 1 . . . . 95 ALA QB . 17173 1 716 . 1 1 95 95 ALA CA C 13 52.451 0.028 . 1 . . . . 95 ALA CA . 17173 1 717 . 1 1 95 95 ALA CB C 13 15.500 0.000 . 1 . . . . 95 ALA CB . 17173 1 718 . 1 1 95 95 ALA N N 15 119.700 0.000 . 1 . . . . 95 ALA N . 17173 1 719 . 1 1 96 96 HIS H H 1 7.652 0.006 . 1 . . . . 96 HIS H . 17173 1 720 . 1 1 96 96 HIS HA H 1 4.212 0.000 . 1 . . . . 96 HIS HA . 17173 1 721 . 1 1 96 96 HIS HB2 H 1 2.859 0.000 . 2 . . . . 96 HIS HB2 . 17173 1 722 . 1 1 96 96 HIS HB3 H 1 2.950 0.000 . 2 . . . . 96 HIS HB3 . 17173 1 723 . 1 1 96 96 HIS CA C 13 57.365 0.099 . 1 . . . . 96 HIS CA . 17173 1 724 . 1 1 96 96 HIS CB C 13 26.817 0.109 . 1 . . . . 96 HIS CB . 17173 1 725 . 1 1 96 96 HIS N N 15 118.251 0.047 . 1 . . . . 96 HIS N . 17173 1 726 . 1 1 97 97 ALA H H 1 7.378 0.006 . 1 . . . . 97 ALA H . 17173 1 727 . 1 1 97 97 ALA HA H 1 3.962 0.000 . 1 . . . . 97 ALA HA . 17173 1 728 . 1 1 97 97 ALA HB1 H 1 1.680 0.000 . 1 . . . . 97 ALA QB . 17173 1 729 . 1 1 97 97 ALA HB2 H 1 1.680 0.000 . 1 . . . . 97 ALA QB . 17173 1 730 . 1 1 97 97 ALA HB3 H 1 1.680 0.000 . 1 . . . . 97 ALA QB . 17173 1 731 . 1 1 97 97 ALA CA C 13 53.056 0.106 . 1 . . . . 97 ALA CA . 17173 1 732 . 1 1 97 97 ALA CB C 13 17.483 0.192 . 1 . . . . 97 ALA CB . 17173 1 733 . 1 1 97 97 ALA N N 15 123.807 0.023 . 1 . . . . 97 ALA N . 17173 1 734 . 1 1 98 98 ILE H H 1 7.933 0.009 . 1 . . . . 98 ILE H . 17173 1 735 . 1 1 98 98 ILE HA H 1 3.546 0.005 . 1 . . . . 98 ILE HA . 17173 1 736 . 1 1 98 98 ILE HB H 1 1.742 0.000 . 1 . . . . 98 ILE HB . 17173 1 737 . 1 1 98 98 ILE HD11 H 1 0.660 0.000 . 1 . . . . 98 ILE QD1 . 17173 1 738 . 1 1 98 98 ILE HD12 H 1 0.660 0.000 . 1 . . . . 98 ILE QD1 . 17173 1 739 . 1 1 98 98 ILE HD13 H 1 0.660 0.000 . 1 . . . . 98 ILE QD1 . 17173 1 740 . 1 1 98 98 ILE HG12 H 1 0.940 0.005 . 2 . . . . 98 ILE HG12 . 17173 1 741 . 1 1 98 98 ILE HG13 H 1 1.658 0.004 . 2 . . . . 98 ILE HG13 . 17173 1 742 . 1 1 98 98 ILE HG21 H 1 0.825 0.002 . 1 . . . . 98 ILE QG2 . 17173 1 743 . 1 1 98 98 ILE HG22 H 1 0.825 0.002 . 1 . . . . 98 ILE QG2 . 17173 1 744 . 1 1 98 98 ILE HG23 H 1 0.825 0.002 . 1 . . . . 98 ILE QG2 . 17173 1 745 . 1 1 98 98 ILE CA C 13 62.900 0.000 . 1 . . . . 98 ILE CA . 17173 1 746 . 1 1 98 98 ILE CB C 13 35.620 0.000 . 1 . . . . 98 ILE CB . 17173 1 747 . 1 1 98 98 ILE CD1 C 13 10.700 0.000 . 1 . . . . 98 ILE CD1 . 17173 1 748 . 1 1 98 98 ILE CG1 C 13 26.600 0.000 . 1 . . . . 98 ILE CG1 . 17173 1 749 . 1 1 98 98 ILE CG2 C 13 15.610 0.226 . 1 . . . . 98 ILE CG2 . 17173 1 750 . 1 1 98 98 ILE N N 15 115.473 0.022 . 1 . . . . 98 ILE N . 17173 1 751 . 1 1 99 99 ASN H H 1 8.027 0.002 . 1 . . . . 99 ASN H . 17173 1 752 . 1 1 99 99 ASN HA H 1 4.399 0.000 . 1 . . . . 99 ASN HA . 17173 1 753 . 1 1 99 99 ASN HB2 H 1 2.723 0.000 . 2 . . . . 99 ASN HB2 . 17173 1 754 . 1 1 99 99 ASN HB3 H 1 2.820 0.000 . 2 . . . . 99 ASN HB3 . 17173 1 755 . 1 1 99 99 ASN CA C 13 54.123 0.116 . 1 . . . . 99 ASN CA . 17173 1 756 . 1 1 99 99 ASN CB C 13 36.180 0.000 . 1 . . . . 99 ASN CB . 17173 1 757 . 1 1 99 99 ASN N N 15 120.765 0.023 . 1 . . . . 99 ASN N . 17173 1 758 . 1 1 100 100 THR H H 1 8.328 0.006 . 1 . . . . 100 THR H . 17173 1 759 . 1 1 100 100 THR HA H 1 3.653 0.003 . 1 . . . . 100 THR HA . 17173 1 760 . 1 1 100 100 THR HB H 1 4.145 0.000 . 1 . . . . 100 THR HB . 17173 1 761 . 1 1 100 100 THR HG21 H 1 0.940 0.000 . 1 . . . . 100 THR QG2 . 17173 1 762 . 1 1 100 100 THR HG22 H 1 0.940 0.000 . 1 . . . . 100 THR QG2 . 17173 1 763 . 1 1 100 100 THR HG23 H 1 0.940 0.000 . 1 . . . . 100 THR QG2 . 17173 1 764 . 1 1 100 100 THR CA C 13 63.713 0.116 . 1 . . . . 100 THR CA . 17173 1 765 . 1 1 100 100 THR CB C 13 65.671 0.139 . 1 . . . . 100 THR CB . 17173 1 766 . 1 1 100 100 THR CG2 C 13 19.255 0.000 . 1 . . . . 100 THR CG2 . 17173 1 767 . 1 1 100 100 THR N N 15 117.977 0.112 . 1 . . . . 100 THR N . 17173 1 768 . 1 1 101 101 LEU H H 1 7.851 0.011 . 1 . . . . 101 LEU H . 17173 1 769 . 1 1 101 101 LEU HA H 1 3.750 0.000 . 1 . . . . 101 LEU HA . 17173 1 770 . 1 1 101 101 LEU HB2 H 1 2.170 0.000 . 2 . . . . 101 LEU HB2 . 17173 1 771 . 1 1 101 101 LEU HB3 H 1 1.165 0.000 . 2 . . . . 101 LEU HB3 . 17173 1 772 . 1 1 101 101 LEU HD11 H 1 0.737 0.000 . 2 . . . . 101 LEU QD1 . 17173 1 773 . 1 1 101 101 LEU HD12 H 1 0.737 0.000 . 2 . . . . 101 LEU QD1 . 17173 1 774 . 1 1 101 101 LEU HD13 H 1 0.737 0.000 . 2 . . . . 101 LEU QD1 . 17173 1 775 . 1 1 101 101 LEU HG H 1 1.847 0.000 . 1 . . . . 101 LEU HG . 17173 1 776 . 1 1 101 101 LEU CA C 13 54.860 0.000 . 1 . . . . 101 LEU CA . 17173 1 777 . 1 1 101 101 LEU CB C 13 40.970 0.000 . 1 . . . . 101 LEU CB . 17173 1 778 . 1 1 101 101 LEU CD1 C 13 22.250 0.000 . 1 . . . . 101 LEU CD1 . 17173 1 779 . 1 1 101 101 LEU CG C 13 23.870 0.000 . 1 . . . . 101 LEU CG . 17173 1 780 . 1 1 101 101 LEU N N 15 119.943 0.036 . 1 . . . . 101 LEU N . 17173 1 781 . 1 1 102 102 GLY H H 1 8.638 0.004 . 1 . . . . 102 GLY H . 17173 1 782 . 1 1 102 102 GLY HA2 H 1 4.146 0.000 . 2 . . . . 102 GLY HA2 . 17173 1 783 . 1 1 102 102 GLY HA3 H 1 4.146 0.000 . 2 . . . . 102 GLY HA3 . 17173 1 784 . 1 1 102 102 GLY CA C 13 45.119 0.121 . 1 . . . . 102 GLY CA . 17173 1 785 . 1 1 102 102 GLY N N 15 105.910 0.024 . 1 . . . . 102 GLY N . 17173 1 786 . 1 1 103 103 GLU H H 1 7.495 0.005 . 1 . . . . 103 GLU H . 17173 1 787 . 1 1 103 103 GLU HA H 1 4.103 0.000 . 1 . . . . 103 GLU HA . 17173 1 788 . 1 1 103 103 GLU HB3 H 1 2.094 0.000 . 2 . . . . 103 GLU HB3 . 17173 1 789 . 1 1 103 103 GLU HG2 H 1 2.385 0.000 . 2 . . . . 103 GLU HG2 . 17173 1 790 . 1 1 103 103 GLU HG3 H 1 2.385 0.000 . 2 . . . . 103 GLU HG3 . 17173 1 791 . 1 1 103 103 GLU CA C 13 55.153 0.041 . 1 . . . . 103 GLU CA . 17173 1 792 . 1 1 103 103 GLU CB C 13 27.368 0.141 . 1 . . . . 103 GLU CB . 17173 1 793 . 1 1 103 103 GLU CG C 13 34.142 0.000 . 1 . . . . 103 GLU CG . 17173 1 794 . 1 1 103 103 GLU N N 15 116.612 0.016 . 1 . . . . 103 GLU N . 17173 1 795 . 1 1 104 104 VAL H H 1 7.049 0.008 . 1 . . . . 104 VAL H . 17173 1 796 . 1 1 104 104 VAL HA H 1 4.781 0.007 . 1 . . . . 104 VAL HA . 17173 1 797 . 1 1 104 104 VAL HB H 1 2.265 0.000 . 1 . . . . 104 VAL HB . 17173 1 798 . 1 1 104 104 VAL HG11 H 1 0.810 0.000 . 2 . . . . 104 VAL QG1 . 17173 1 799 . 1 1 104 104 VAL HG12 H 1 0.810 0.000 . 2 . . . . 104 VAL QG1 . 17173 1 800 . 1 1 104 104 VAL HG13 H 1 0.810 0.000 . 2 . . . . 104 VAL QG1 . 17173 1 801 . 1 1 104 104 VAL HG21 H 1 0.830 0.000 . 2 . . . . 104 VAL QG2 . 17173 1 802 . 1 1 104 104 VAL HG22 H 1 0.830 0.000 . 2 . . . . 104 VAL QG2 . 17173 1 803 . 1 1 104 104 VAL HG23 H 1 0.830 0.000 . 2 . . . . 104 VAL QG2 . 17173 1 804 . 1 1 104 104 VAL CA C 13 57.657 0.115 . 1 . . . . 104 VAL CA . 17173 1 805 . 1 1 104 104 VAL CB C 13 30.645 0.160 . 1 . . . . 104 VAL CB . 17173 1 806 . 1 1 104 104 VAL CG1 C 13 17.500 0.000 . 1 . . . . 104 VAL CG1 . 17173 1 807 . 1 1 104 104 VAL CG2 C 13 18.450 0.000 . 1 . . . . 104 VAL CG2 . 17173 1 808 . 1 1 104 104 VAL N N 15 108.433 0.014 . 1 . . . . 104 VAL N . 17173 1 809 . 1 1 105 105 ILE H H 1 7.230 0.010 . 1 . . . . 105 ILE H . 17173 1 810 . 1 1 105 105 ILE HA H 1 3.770 0.000 . 1 . . . . 105 ILE HA . 17173 1 811 . 1 1 105 105 ILE HB H 1 1.290 0.000 . 1 . . . . 105 ILE HB . 17173 1 812 . 1 1 105 105 ILE CA C 13 58.590 0.000 . 1 . . . . 105 ILE CA . 17173 1 813 . 1 1 105 105 ILE CB C 13 35.200 0.000 . 1 . . . . 105 ILE CB . 17173 1 814 . 1 1 105 105 ILE N N 15 123.833 0.013 . 1 . . . . 105 ILE N . 17173 1 815 . 1 1 106 106 GLN H H 1 8.577 0.012 . 1 . . . . 106 GLN H . 17173 1 816 . 1 1 106 106 GLN HA H 1 3.666 0.000 . 1 . . . . 106 GLN HA . 17173 1 817 . 1 1 106 106 GLN HB2 H 1 1.700 0.000 . 2 . . . . 106 GLN HB2 . 17173 1 818 . 1 1 106 106 GLN HB3 H 1 1.900 0.000 . 2 . . . . 106 GLN HB3 . 17173 1 819 . 1 1 106 106 GLN HG2 H 1 1.867 0.000 . 2 . . . . 106 GLN HG2 . 17173 1 820 . 1 1 106 106 GLN HG3 H 1 2.146 0.000 . 2 . . . . 106 GLN HG3 . 17173 1 821 . 1 1 106 106 GLN CA C 13 58.151 0.105 . 1 . . . . 106 GLN CA . 17173 1 822 . 1 1 106 106 GLN CB C 13 26.587 0.172 . 1 . . . . 106 GLN CB . 17173 1 823 . 1 1 106 106 GLN CG C 13 33.761 0.000 . 1 . . . . 106 GLN CG . 17173 1 824 . 1 1 106 106 GLN N N 15 121.227 0.019 . 1 . . . . 106 GLN N . 17173 1 825 . 1 1 107 107 GLU H H 1 7.805 0.009 . 1 . . . . 107 GLU H . 17173 1 826 . 1 1 107 107 GLU HA H 1 3.870 0.000 . 1 . . . . 107 GLU HA . 17173 1 827 . 1 1 107 107 GLU HB2 H 1 2.110 0.000 . 2 . . . . 107 GLU HB2 . 17173 1 828 . 1 1 107 107 GLU HB3 H 1 1.960 0.000 . 2 . . . . 107 GLU HB3 . 17173 1 829 . 1 1 107 107 GLU HG2 H 1 2.231 0.000 . 2 . . . . 107 GLU HG2 . 17173 1 830 . 1 1 107 107 GLU HG3 H 1 1.960 0.000 . 2 . . . . 107 GLU HG3 . 17173 1 831 . 1 1 107 107 GLU CA C 13 56.453 0.120 . 1 . . . . 107 GLU CA . 17173 1 832 . 1 1 107 107 GLU CB C 13 26.270 0.112 . 1 . . . . 107 GLU CB . 17173 1 833 . 1 1 107 107 GLU CG C 13 32.679 0.000 . 1 . . . . 107 GLU CG . 17173 1 834 . 1 1 107 107 GLU N N 15 122.866 0.021 . 1 . . . . 107 GLU N . 17173 1 835 . 1 1 108 108 LEU H H 1 8.034 0.007 . 1 . . . . 108 LEU H . 17173 1 836 . 1 1 108 108 LEU HA H 1 4.014 0.000 . 1 . . . . 108 LEU HA . 17173 1 837 . 1 1 108 108 LEU HB2 H 1 1.650 0.000 . 2 . . . . 108 LEU HB2 . 17173 1 838 . 1 1 108 108 LEU HB3 H 1 1.230 0.000 . 2 . . . . 108 LEU HB3 . 17173 1 839 . 1 1 108 108 LEU HD11 H 1 0.680 0.000 . 2 . . . . 108 LEU QD1 . 17173 1 840 . 1 1 108 108 LEU HD12 H 1 0.680 0.000 . 2 . . . . 108 LEU QD1 . 17173 1 841 . 1 1 108 108 LEU HD13 H 1 0.680 0.000 . 2 . . . . 108 LEU QD1 . 17173 1 842 . 1 1 108 108 LEU CA C 13 54.880 0.000 . 1 . . . . 108 LEU CA . 17173 1 843 . 1 1 108 108 LEU CB C 13 38.580 0.000 . 1 . . . . 108 LEU CB . 17173 1 844 . 1 1 108 108 LEU CD1 C 13 18.870 0.000 . 1 . . . . 108 LEU CD1 . 17173 1 845 . 1 1 108 108 LEU N N 15 116.751 0.023 . 1 . . . . 108 LEU N . 17173 1 846 . 1 1 109 109 LEU H H 1 8.827 0.007 . 1 . . . . 109 LEU H . 17173 1 847 . 1 1 109 109 LEU HA H 1 3.880 0.000 . 1 . . . . 109 LEU HA . 17173 1 848 . 1 1 109 109 LEU HB2 H 1 1.150 0.000 . 2 . . . . 109 LEU HB2 . 17173 1 849 . 1 1 109 109 LEU HB3 H 1 2.110 0.000 . 2 . . . . 109 LEU HB3 . 17173 1 850 . 1 1 109 109 LEU HD11 H 1 1.320 0.000 . 2 . . . . 109 LEU QD1 . 17173 1 851 . 1 1 109 109 LEU HD12 H 1 1.320 0.000 . 2 . . . . 109 LEU QD1 . 17173 1 852 . 1 1 109 109 LEU HD13 H 1 1.320 0.000 . 2 . . . . 109 LEU QD1 . 17173 1 853 . 1 1 109 109 LEU HD21 H 1 0.880 0.000 . 2 . . . . 109 LEU QD2 . 17173 1 854 . 1 1 109 109 LEU HD22 H 1 0.880 0.000 . 2 . . . . 109 LEU QD2 . 17173 1 855 . 1 1 109 109 LEU HD23 H 1 0.880 0.000 . 2 . . . . 109 LEU QD2 . 17173 1 856 . 1 1 109 109 LEU HG H 1 0.635 0.000 . 1 . . . . 109 LEU HG . 17173 1 857 . 1 1 109 109 LEU CA C 13 55.224 0.019 . 1 . . . . 109 LEU CA . 17173 1 858 . 1 1 109 109 LEU CB C 13 41.054 0.130 . 1 . . . . 109 LEU CB . 17173 1 859 . 1 1 109 109 LEU CD1 C 13 17.400 0.000 . 1 . . . . 109 LEU CD1 . 17173 1 860 . 1 1 109 109 LEU CD2 C 13 21.700 0.000 . 1 . . . . 109 LEU CD2 . 17173 1 861 . 1 1 109 109 LEU CG C 13 25.000 0.000 . 1 . . . . 109 LEU CG . 17173 1 862 . 1 1 109 109 LEU N N 15 118.819 0.041 . 1 . . . . 109 LEU N . 17173 1 863 . 1 1 110 110 SER H H 1 8.180 0.000 . 1 . . . . 110 SER H . 17173 1 864 . 1 1 110 110 SER HA H 1 3.875 0.000 . 1 . . . . 110 SER HA . 17173 1 865 . 1 1 110 110 SER HB2 H 1 3.786 0.000 . 2 . . . . 110 SER HB2 . 17173 1 866 . 1 1 110 110 SER HB3 H 1 3.786 0.000 . 2 . . . . 110 SER HB3 . 17173 1 867 . 1 1 110 110 SER CA C 13 60.150 0.000 . 1 . . . . 110 SER CA . 17173 1 868 . 1 1 110 110 SER CB C 13 60.120 0.000 . 1 . . . . 110 SER CB . 17173 1 869 . 1 1 111 111 ASP H H 1 7.639 0.002 . 1 . . . . 111 ASP H . 17173 1 870 . 1 1 111 111 ASP HA H 1 4.370 0.000 . 1 . . . . 111 ASP HA . 17173 1 871 . 1 1 111 111 ASP HB2 H 1 2.440 0.000 . 2 . . . . 111 ASP HB2 . 17173 1 872 . 1 1 111 111 ASP HB3 H 1 2.650 0.000 . 2 . . . . 111 ASP HB3 . 17173 1 873 . 1 1 111 111 ASP CA C 13 55.030 0.000 . 1 . . . . 111 ASP CA . 17173 1 874 . 1 1 111 111 ASP CB C 13 39.720 0.000 . 1 . . . . 111 ASP CB . 17173 1 875 . 1 1 111 111 ASP N N 15 120.322 0.026 . 1 . . . . 111 ASP N . 17173 1 876 . 1 1 112 112 ALA H H 1 7.660 0.000 . 1 . . . . 112 ALA H . 17173 1 877 . 1 1 112 112 ALA HA H 1 3.620 0.000 . 1 . . . . 112 ALA HA . 17173 1 878 . 1 1 112 112 ALA HB1 H 1 1.322 0.000 . 1 . . . . 112 ALA QB . 17173 1 879 . 1 1 112 112 ALA HB2 H 1 1.322 0.000 . 1 . . . . 112 ALA QB . 17173 1 880 . 1 1 112 112 ALA HB3 H 1 1.322 0.000 . 1 . . . . 112 ALA QB . 17173 1 881 . 1 1 112 112 ALA CA C 13 52.800 0.000 . 1 . . . . 112 ALA CA . 17173 1 882 . 1 1 112 112 ALA CB C 13 17.300 0.000 . 1 . . . . 112 ALA CB . 17173 1 883 . 1 1 112 112 ALA N N 15 117.312 0.203 . 1 . . . . 112 ALA N . 17173 1 884 . 1 1 113 113 ILE H H 1 8.716 0.012 . 1 . . . . 113 ILE H . 17173 1 885 . 1 1 113 113 ILE HA H 1 3.249 0.004 . 1 . . . . 113 ILE HA . 17173 1 886 . 1 1 113 113 ILE HB H 1 1.671 0.009 . 1 . . . . 113 ILE HB . 17173 1 887 . 1 1 113 113 ILE HD11 H 1 0.570 0.000 . 1 . . . . 113 ILE QD1 . 17173 1 888 . 1 1 113 113 ILE HD12 H 1 0.570 0.000 . 1 . . . . 113 ILE QD1 . 17173 1 889 . 1 1 113 113 ILE HD13 H 1 0.570 0.000 . 1 . . . . 113 ILE QD1 . 17173 1 890 . 1 1 113 113 ILE HG12 H 1 0.647 0.000 . 2 . . . . 113 ILE HG12 . 17173 1 891 . 1 1 113 113 ILE HG13 H 1 1.950 0.000 . 2 . . . . 113 ILE HG13 . 17173 1 892 . 1 1 113 113 ILE CA C 13 63.375 0.085 . 1 . . . . 113 ILE CA . 17173 1 893 . 1 1 113 113 ILE CB C 13 35.918 0.183 . 1 . . . . 113 ILE CB . 17173 1 894 . 1 1 113 113 ILE CD1 C 13 13.500 0.000 . 1 . . . . 113 ILE CD1 . 17173 1 895 . 1 1 113 113 ILE CG1 C 13 29.860 0.000 . 1 . . . . 113 ILE CG1 . 17173 1 896 . 1 1 113 113 ILE N N 15 119.128 0.039 . 1 . . . . 113 ILE N . 17173 1 897 . 1 1 114 114 ALA H H 1 7.740 0.000 . 1 . . . . 114 ALA H . 17173 1 898 . 1 1 114 114 ALA HA H 1 3.920 0.000 . 1 . . . . 114 ALA HA . 17173 1 899 . 1 1 114 114 ALA HB1 H 1 1.427 0.000 . 1 . . . . 114 ALA QB . 17173 1 900 . 1 1 114 114 ALA HB2 H 1 1.427 0.000 . 1 . . . . 114 ALA QB . 17173 1 901 . 1 1 114 114 ALA HB3 H 1 1.427 0.000 . 1 . . . . 114 ALA QB . 17173 1 902 . 1 1 114 114 ALA CA C 13 52.480 0.000 . 1 . . . . 114 ALA CA . 17173 1 903 . 1 1 114 114 ALA CB C 13 16.150 0.000 . 1 . . . . 114 ALA CB . 17173 1 904 . 1 1 114 114 ALA N N 15 120.257 0.040 . 1 . . . . 114 ALA N . 17173 1 905 . 1 1 115 115 LYS H H 1 7.270 0.007 . 1 . . . . 115 LYS H . 17173 1 906 . 1 1 115 115 LYS HA H 1 4.110 0.000 . 1 . . . . 115 LYS HA . 17173 1 907 . 1 1 115 115 LYS HB2 H 1 1.865 0.000 . 2 . . . . 115 LYS HB2 . 17173 1 908 . 1 1 115 115 LYS HB3 H 1 1.420 0.000 . 2 . . . . 115 LYS HB3 . 17173 1 909 . 1 1 115 115 LYS HG3 H 1 1.315 0.000 . 2 . . . . 115 LYS HG3 . 17173 1 910 . 1 1 115 115 LYS CA C 13 53.910 0.000 . 1 . . . . 115 LYS CA . 17173 1 911 . 1 1 115 115 LYS CB C 13 31.550 0.000 . 1 . . . . 115 LYS CB . 17173 1 912 . 1 1 115 115 LYS CG C 13 24.100 0.000 . 1 . . . . 115 LYS CG . 17173 1 913 . 1 1 115 115 LYS N N 15 114.003 0.064 . 1 . . . . 115 LYS N . 17173 1 914 . 1 1 116 116 SER H H 1 7.170 0.005 . 1 . . . . 116 SER H . 17173 1 915 . 1 1 116 116 SER HA H 1 4.540 0.000 . 1 . . . . 116 SER HA . 17173 1 916 . 1 1 116 116 SER HB2 H 1 3.810 0.000 . 2 . . . . 116 SER HB2 . 17173 1 917 . 1 1 116 116 SER HB3 H 1 4.050 0.000 . 2 . . . . 116 SER HB3 . 17173 1 918 . 1 1 116 116 SER CA C 13 57.586 0.103 . 1 . . . . 116 SER CA . 17173 1 919 . 1 1 116 116 SER CB C 13 63.330 0.000 . 1 . . . . 116 SER CB . 17173 1 920 . 1 1 116 116 SER N N 15 116.000 0.021 . 1 . . . . 116 SER N . 17173 1 921 . 1 1 117 117 ASN H H 1 8.460 0.002 . 1 . . . . 117 ASN H . 17173 1 922 . 1 1 117 117 ASN HA H 1 4.546 0.003 . 1 . . . . 117 ASN HA . 17173 1 923 . 1 1 117 117 ASN HB2 H 1 2.770 0.000 . 2 . . . . 117 ASN HB2 . 17173 1 924 . 1 1 117 117 ASN HB3 H 1 3.158 0.000 . 2 . . . . 117 ASN HB3 . 17173 1 925 . 1 1 117 117 ASN CA C 13 49.330 0.000 . 1 . . . . 117 ASN CA . 17173 1 926 . 1 1 117 117 ASN CB C 13 35.220 0.000 . 1 . . . . 117 ASN CB . 17173 1 927 . 1 1 117 117 ASN N N 15 119.892 0.022 . 1 . . . . 117 ASN N . 17173 1 928 . 1 1 119 119 ASP CA C 13 54.491 0.001 . 1 . . . . 119 ASP CA . 17173 1 929 . 1 1 119 119 ASP CB C 13 38.496 0.000 . 1 . . . . 119 ASP CB . 17173 1 930 . 1 1 120 120 HIS H H 1 8.699 0.004 . 1 . . . . 120 HIS H . 17173 1 931 . 1 1 120 120 HIS HA H 1 4.350 0.000 . 1 . . . . 120 HIS HA . 17173 1 932 . 1 1 120 120 HIS HB2 H 1 2.810 0.000 . 2 . . . . 120 HIS HB2 . 17173 1 933 . 1 1 120 120 HIS HB3 H 1 3.270 0.000 . 2 . . . . 120 HIS HB3 . 17173 1 934 . 1 1 120 120 HIS CA C 13 55.930 0.000 . 1 . . . . 120 HIS CA . 17173 1 935 . 1 1 120 120 HIS CB C 13 27.810 0.000 . 1 . . . . 120 HIS CB . 17173 1 936 . 1 1 120 120 HIS N N 15 119.027 0.078 . 1 . . . . 120 HIS N . 17173 1 937 . 1 1 121 121 LYS H H 1 8.995 0.003 . 1 . . . . 121 LYS H . 17173 1 938 . 1 1 121 121 LYS HA H 1 3.784 0.000 . 1 . . . . 121 LYS HA . 17173 1 939 . 1 1 121 121 LYS HB2 H 1 1.853 0.001 . 2 . . . . 121 LYS HB2 . 17173 1 940 . 1 1 121 121 LYS HB3 H 1 2.083 0.008 . 2 . . . . 121 LYS HB3 . 17173 1 941 . 1 1 121 121 LYS HD2 H 1 1.513 0.002 . 2 . . . . 121 LYS HD2 . 17173 1 942 . 1 1 121 121 LYS HD3 H 1 1.645 0.003 . 2 . . . . 121 LYS HD3 . 17173 1 943 . 1 1 121 121 LYS HG2 H 1 1.380 0.002 . 2 . . . . 121 LYS HG2 . 17173 1 944 . 1 1 121 121 LYS HG3 H 1 1.580 0.005 . 2 . . . . 121 LYS HG3 . 17173 1 945 . 1 1 121 121 LYS CA C 13 59.399 0.131 . 1 . . . . 121 LYS CA . 17173 1 946 . 1 1 121 121 LYS CB C 13 30.839 0.071 . 1 . . . . 121 LYS CB . 17173 1 947 . 1 1 121 121 LYS CD C 13 27.271 0.043 . 1 . . . . 121 LYS CD . 17173 1 948 . 1 1 121 121 LYS CG C 13 24.413 0.034 . 1 . . . . 121 LYS CG . 17173 1 949 . 1 1 121 121 LYS N N 15 120.938 0.056 . 1 . . . . 121 LYS N . 17173 1 950 . 1 1 122 122 GLU H H 1 7.649 0.008 . 1 . . . . 122 GLU H . 17173 1 951 . 1 1 122 122 GLU HA H 1 4.070 0.000 . 1 . . . . 122 GLU HA . 17173 1 952 . 1 1 122 122 GLU HB2 H 1 2.040 0.009 . 2 . . . . 122 GLU HB2 . 17173 1 953 . 1 1 122 122 GLU HB3 H 1 2.136 0.002 . 2 . . . . 122 GLU HB3 . 17173 1 954 . 1 1 122 122 GLU HG2 H 1 2.300 0.000 . 2 . . . . 122 GLU HG2 . 17173 1 955 . 1 1 122 122 GLU HG3 H 1 2.180 0.000 . 2 . . . . 122 GLU HG3 . 17173 1 956 . 1 1 122 122 GLU CA C 13 56.200 0.000 . 1 . . . . 122 GLU CA . 17173 1 957 . 1 1 122 122 GLU CB C 13 26.470 0.000 . 1 . . . . 122 GLU CB . 17173 1 958 . 1 1 122 122 GLU CG C 13 33.260 0.000 . 1 . . . . 122 GLU CG . 17173 1 959 . 1 1 122 122 GLU N N 15 118.038 0.064 . 1 . . . . 122 GLU N . 17173 1 960 . 1 1 123 123 LYS H H 1 7.552 0.007 . 1 . . . . 123 LYS H . 17173 1 961 . 1 1 123 123 LYS HA H 1 3.970 0.000 . 1 . . . . 123 LYS HA . 17173 1 962 . 1 1 123 123 LYS CA C 13 56.720 0.000 . 1 . . . . 123 LYS CA . 17173 1 963 . 1 1 123 123 LYS CB C 13 30.132 0.178 . 1 . . . . 123 LYS CB . 17173 1 964 . 1 1 123 123 LYS N N 15 119.203 0.019 . 1 . . . . 123 LYS N . 17173 1 965 . 1 1 124 124 ILE H H 1 8.355 0.010 . 1 . . . . 124 ILE H . 17173 1 966 . 1 1 124 124 ILE HA H 1 3.246 0.005 . 1 . . . . 124 ILE HA . 17173 1 967 . 1 1 124 124 ILE HB H 1 1.933 0.003 . 1 . . . . 124 ILE HB . 17173 1 968 . 1 1 124 124 ILE HD11 H 1 0.577 0.000 . 1 . . . . 124 ILE QD1 . 17173 1 969 . 1 1 124 124 ILE HD12 H 1 0.577 0.000 . 1 . . . . 124 ILE QD1 . 17173 1 970 . 1 1 124 124 ILE HD13 H 1 0.577 0.000 . 1 . . . . 124 ILE QD1 . 17173 1 971 . 1 1 124 124 ILE HG12 H 1 0.168 0.000 . 2 . . . . 124 ILE HG12 . 17173 1 972 . 1 1 124 124 ILE HG13 H 1 0.168 0.000 . 2 . . . . 124 ILE HG13 . 17173 1 973 . 1 1 124 124 ILE HG21 H 1 0.636 0.000 . 1 . . . . 124 ILE QG2 . 17173 1 974 . 1 1 124 124 ILE HG22 H 1 0.636 0.000 . 1 . . . . 124 ILE QG2 . 17173 1 975 . 1 1 124 124 ILE HG23 H 1 0.636 0.000 . 1 . . . . 124 ILE QG2 . 17173 1 976 . 1 1 124 124 ILE CA C 13 63.253 0.044 . 1 . . . . 124 ILE CA . 17173 1 977 . 1 1 124 124 ILE CB C 13 34.613 0.101 . 1 . . . . 124 ILE CB . 17173 1 978 . 1 1 124 124 ILE CD1 C 13 13.450 0.000 . 1 . . . . 124 ILE CD1 . 17173 1 979 . 1 1 124 124 ILE CG1 C 13 20.170 0.000 . 1 . . . . 124 ILE CG1 . 17173 1 980 . 1 1 124 124 ILE CG2 C 13 15.300 0.000 . 1 . . . . 124 ILE CG2 . 17173 1 981 . 1 1 124 124 ILE N N 15 123.108 0.076 . 1 . . . . 124 ILE N . 17173 1 982 . 1 1 125 125 ARG H H 1 8.012 0.026 . 1 . . . . 125 ARG H . 17173 1 983 . 1 1 125 125 ARG HB2 H 1 0.989 0.000 . 2 . . . . 125 ARG HB2 . 17173 1 984 . 1 1 125 125 ARG HB3 H 1 1.743 0.000 . 2 . . . . 125 ARG HB3 . 17173 1 985 . 1 1 125 125 ARG HD2 H 1 2.760 0.000 . 2 . . . . 125 ARG HD2 . 17173 1 986 . 1 1 125 125 ARG HD3 H 1 2.495 0.000 . 2 . . . . 125 ARG HD3 . 17173 1 987 . 1 1 125 125 ARG HG2 H 1 0.986 0.000 . 2 . . . . 125 ARG HG2 . 17173 1 988 . 1 1 125 125 ARG HG3 H 1 0.479 0.000 . 2 . . . . 125 ARG HG3 . 17173 1 989 . 1 1 125 125 ARG CA C 13 57.730 0.000 . 1 . . . . 125 ARG CA . 17173 1 990 . 1 1 125 125 ARG CB C 13 26.730 0.000 . 1 . . . . 125 ARG CB . 17173 1 991 . 1 1 125 125 ARG CD C 13 40.443 0.000 . 1 . . . . 125 ARG CD . 17173 1 992 . 1 1 125 125 ARG CG C 13 24.401 0.000 . 1 . . . . 125 ARG CG . 17173 1 993 . 1 1 125 125 ARG N N 15 122.377 0.030 . 1 . . . . 125 ARG N . 17173 1 994 . 1 1 126 126 MET H H 1 7.441 0.007 . 1 . . . . 126 MET H . 17173 1 995 . 1 1 126 126 MET HA H 1 3.960 0.000 . 1 . . . . 126 MET HA . 17173 1 996 . 1 1 126 126 MET HB2 H 1 2.426 0.000 . 2 . . . . 126 MET HB2 . 17173 1 997 . 1 1 126 126 MET HB3 H 1 2.600 0.000 . 2 . . . . 126 MET HB3 . 17173 1 998 . 1 1 126 126 MET HE1 H 1 1.950 0.000 . 1 . . . . 126 MET QE . 17173 1 999 . 1 1 126 126 MET HE2 H 1 1.950 0.000 . 1 . . . . 126 MET QE . 17173 1 1000 . 1 1 126 126 MET HE3 H 1 1.950 0.000 . 1 . . . . 126 MET QE . 17173 1 1001 . 1 1 126 126 MET HG2 H 1 1.950 0.000 . 2 . . . . 126 MET HG2 . 17173 1 1002 . 1 1 126 126 MET HG3 H 1 1.950 0.000 . 2 . . . . 126 MET HG3 . 17173 1 1003 . 1 1 126 126 MET CA C 13 55.682 0.031 . 1 . . . . 126 MET CA . 17173 1 1004 . 1 1 126 126 MET CB C 13 29.700 0.000 . 1 . . . . 126 MET CB . 17173 1 1005 . 1 1 126 126 MET CE C 13 14.780 0.000 . 1 . . . . 126 MET CE . 17173 1 1006 . 1 1 126 126 MET CG C 13 30.300 0.000 . 1 . . . . 126 MET CG . 17173 1 1007 . 1 1 126 126 MET N N 15 115.493 0.032 . 1 . . . . 126 MET N . 17173 1 1008 . 1 1 127 127 LEU H H 1 7.504 0.000 . 1 . . . . 127 LEU H . 17173 1 1009 . 1 1 127 127 LEU HA H 1 3.575 0.000 . 1 . . . . 127 LEU HA . 17173 1 1010 . 1 1 127 127 LEU HB2 H 1 0.975 0.000 . 2 . . . . 127 LEU HB2 . 17173 1 1011 . 1 1 127 127 LEU HB3 H 1 1.250 0.000 . 2 . . . . 127 LEU HB3 . 17173 1 1012 . 1 1 127 127 LEU HD11 H 1 0.446 0.000 . 2 . . . . 127 LEU QD1 . 17173 1 1013 . 1 1 127 127 LEU HD12 H 1 0.446 0.000 . 2 . . . . 127 LEU QD1 . 17173 1 1014 . 1 1 127 127 LEU HD13 H 1 0.446 0.000 . 2 . . . . 127 LEU QD1 . 17173 1 1015 . 1 1 127 127 LEU HD21 H 1 0.360 0.000 . 2 . . . . 127 LEU QD2 . 17173 1 1016 . 1 1 127 127 LEU HD22 H 1 0.360 0.000 . 2 . . . . 127 LEU QD2 . 17173 1 1017 . 1 1 127 127 LEU HD23 H 1 0.360 0.000 . 2 . . . . 127 LEU QD2 . 17173 1 1018 . 1 1 127 127 LEU CA C 13 54.700 0.000 . 1 . . . . 127 LEU CA . 17173 1 1019 . 1 1 127 127 LEU CB C 13 39.070 0.000 . 1 . . . . 127 LEU CB . 17173 1 1020 . 1 1 127 127 LEU CD1 C 13 21.270 0.000 . 1 . . . . 127 LEU CD1 . 17173 1 1021 . 1 1 127 127 LEU CD2 C 13 23.350 0.000 . 1 . . . . 127 LEU CD2 . 17173 1 1022 . 1 1 127 127 LEU N N 15 122.856 0.023 . 1 . . . . 127 LEU N . 17173 1 1023 . 1 1 128 128 LEU H H 1 7.660 0.000 . 1 . . . . 128 LEU H . 17173 1 1024 . 1 1 128 128 LEU HA H 1 3.960 0.000 . 1 . . . . 128 LEU HA . 17173 1 1025 . 1 1 128 128 LEU HB2 H 1 2.613 0.000 . 2 . . . . 128 LEU HB2 . 17173 1 1026 . 1 1 128 128 LEU HB3 H 1 1.312 0.000 . 2 . . . . 128 LEU HB3 . 17173 1 1027 . 1 1 128 128 LEU HD11 H 1 1.950 0.000 . 2 . . . . 128 LEU QD1 . 17173 1 1028 . 1 1 128 128 LEU HD12 H 1 1.950 0.000 . 2 . . . . 128 LEU QD1 . 17173 1 1029 . 1 1 128 128 LEU HD13 H 1 1.950 0.000 . 2 . . . . 128 LEU QD1 . 17173 1 1030 . 1 1 128 128 LEU HD21 H 1 1.071 0.000 . 2 . . . . 128 LEU QD2 . 17173 1 1031 . 1 1 128 128 LEU HD22 H 1 1.071 0.000 . 2 . . . . 128 LEU QD2 . 17173 1 1032 . 1 1 128 128 LEU HD23 H 1 1.071 0.000 . 2 . . . . 128 LEU QD2 . 17173 1 1033 . 1 1 128 128 LEU CA C 13 55.820 0.000 . 1 . . . . 128 LEU CA . 17173 1 1034 . 1 1 128 128 LEU CB C 13 38.427 0.083 . 1 . . . . 128 LEU CB . 17173 1 1035 . 1 1 128 128 LEU CD1 C 13 14.338 0.000 . 1 . . . . 128 LEU CD1 . 17173 1 1036 . 1 1 128 128 LEU CD2 C 13 19.694 0.000 . 1 . . . . 128 LEU CD2 . 17173 1 1037 . 1 1 128 128 LEU N N 15 116.517 0.059 . 1 . . . . 128 LEU N . 17173 1 1038 . 1 1 129 129 ASP H H 1 7.052 0.016 . 1 . . . . 129 ASP H . 17173 1 1039 . 1 1 129 129 ASP HA H 1 4.244 0.012 . 1 . . . . 129 ASP HA . 17173 1 1040 . 1 1 129 129 ASP HB2 H 1 2.590 0.000 . 2 . . . . 129 ASP HB2 . 17173 1 1041 . 1 1 129 129 ASP HB3 H 1 2.750 0.000 . 2 . . . . 129 ASP HB3 . 17173 1 1042 . 1 1 129 129 ASP CA C 13 54.724 0.216 . 1 . . . . 129 ASP CA . 17173 1 1043 . 1 1 129 129 ASP CB C 13 37.547 0.121 . 1 . . . . 129 ASP CB . 17173 1 1044 . 1 1 129 129 ASP N N 15 117.286 0.077 . 1 . . . . 129 ASP N . 17173 1 1045 . 1 1 130 130 ILE H H 1 7.568 0.008 . 1 . . . . 130 ILE H . 17173 1 1046 . 1 1 130 130 ILE HA H 1 3.577 0.009 . 1 . . . . 130 ILE HA . 17173 1 1047 . 1 1 130 130 ILE HB H 1 1.925 0.000 . 1 . . . . 130 ILE HB . 17173 1 1048 . 1 1 130 130 ILE HD11 H 1 0.505 0.000 . 1 . . . . 130 ILE QD1 . 17173 1 1049 . 1 1 130 130 ILE HD12 H 1 0.505 0.000 . 1 . . . . 130 ILE QD1 . 17173 1 1050 . 1 1 130 130 ILE HD13 H 1 0.505 0.000 . 1 . . . . 130 ILE QD1 . 17173 1 1051 . 1 1 130 130 ILE HG21 H 1 0.830 0.000 . 1 . . . . 130 ILE QG2 . 17173 1 1052 . 1 1 130 130 ILE HG22 H 1 0.830 0.000 . 1 . . . . 130 ILE QG2 . 17173 1 1053 . 1 1 130 130 ILE HG23 H 1 0.830 0.000 . 1 . . . . 130 ILE QG2 . 17173 1 1054 . 1 1 130 130 ILE CA C 13 62.760 0.000 . 1 . . . . 130 ILE CA . 17173 1 1055 . 1 1 130 130 ILE CB C 13 34.637 0.246 . 1 . . . . 130 ILE CB . 17173 1 1056 . 1 1 130 130 ILE CD1 C 13 11.344 0.000 . 1 . . . . 130 ILE CD1 . 17173 1 1057 . 1 1 130 130 ILE CG2 C 13 14.100 0.000 . 1 . . . . 130 ILE CG2 . 17173 1 1058 . 1 1 130 130 ILE N N 15 122.274 0.018 . 1 . . . . 130 ILE N . 17173 1 1059 . 1 1 131 131 TRP H H 1 8.855 0.011 . 1 . . . . 131 TRP H . 17173 1 1060 . 1 1 131 131 TRP CA C 13 55.826 0.042 . 1 . . . . 131 TRP CA . 17173 1 1061 . 1 1 131 131 TRP N N 15 125.454 0.104 . 1 . . . . 131 TRP N . 17173 1 1062 . 1 1 143 143 ASN HA H 1 4.421 0.000 . 1 . . . . 143 ASN HA . 17173 1 1063 . 1 1 143 143 ASN CA C 13 52.804 0.000 . 1 . . . . 143 ASN CA . 17173 1 1064 . 1 1 143 143 ASN CB C 13 34.696 0.000 . 1 . . . . 143 ASN CB . 17173 1 1065 . 1 1 144 144 ALA H H 1 7.728 0.009 . 1 . . . . 144 ALA H . 17173 1 1066 . 1 1 144 144 ALA HA H 1 4.110 0.000 . 1 . . . . 144 ALA HA . 17173 1 1067 . 1 1 144 144 ALA HB1 H 1 1.495 0.000 . 1 . . . . 144 ALA QB . 17173 1 1068 . 1 1 144 144 ALA HB2 H 1 1.495 0.000 . 1 . . . . 144 ALA QB . 17173 1 1069 . 1 1 144 144 ALA HB3 H 1 1.495 0.000 . 1 . . . . 144 ALA QB . 17173 1 1070 . 1 1 144 144 ALA CA C 13 52.880 0.000 . 1 . . . . 144 ALA CA . 17173 1 1071 . 1 1 144 144 ALA CB C 13 15.340 0.000 . 1 . . . . 144 ALA CB . 17173 1 1072 . 1 1 144 144 ALA N N 15 124.307 0.029 . 1 . . . . 144 ALA N . 17173 1 1073 . 1 1 145 145 ILE H H 1 7.210 0.006 . 1 . . . . 145 ILE H . 17173 1 1074 . 1 1 145 145 ILE HA H 1 3.850 0.000 . 1 . . . . 145 ILE HA . 17173 1 1075 . 1 1 145 145 ILE HB H 1 2.282 0.000 . 1 . . . . 145 ILE HB . 17173 1 1076 . 1 1 145 145 ILE HD11 H 1 0.765 0.000 . 1 . . . . 145 ILE QD1 . 17173 1 1077 . 1 1 145 145 ILE HD12 H 1 0.765 0.000 . 1 . . . . 145 ILE QD1 . 17173 1 1078 . 1 1 145 145 ILE HD13 H 1 0.765 0.000 . 1 . . . . 145 ILE QD1 . 17173 1 1079 . 1 1 145 145 ILE HG12 H 1 1.359 0.000 . 2 . . . . 145 ILE HG12 . 17173 1 1080 . 1 1 145 145 ILE HG13 H 1 1.893 0.000 . 2 . . . . 145 ILE HG13 . 17173 1 1081 . 1 1 145 145 ILE HG21 H 1 0.765 0.000 . 1 . . . . 145 ILE QG2 . 17173 1 1082 . 1 1 145 145 ILE HG22 H 1 0.765 0.000 . 1 . . . . 145 ILE QG2 . 17173 1 1083 . 1 1 145 145 ILE HG23 H 1 0.765 0.000 . 1 . . . . 145 ILE QG2 . 17173 1 1084 . 1 1 145 145 ILE CA C 13 58.244 0.120 . 1 . . . . 145 ILE CA . 17173 1 1085 . 1 1 145 145 ILE CB C 13 32.620 0.080 . 1 . . . . 145 ILE CB . 17173 1 1086 . 1 1 145 145 ILE CD1 C 13 6.508 0.000 . 1 . . . . 145 ILE CD1 . 17173 1 1087 . 1 1 145 145 ILE CG1 C 13 23.880 0.000 . 1 . . . . 145 ILE CG1 . 17173 1 1088 . 1 1 145 145 ILE CG2 C 13 16.103 0.000 . 1 . . . . 145 ILE CG2 . 17173 1 1089 . 1 1 145 145 ILE N N 15 117.648 0.019 . 1 . . . . 145 ILE N . 17173 1 1090 . 1 1 146 146 ARG H H 1 8.486 0.006 . 1 . . . . 146 ARG H . 17173 1 1091 . 1 1 146 146 ARG HA H 1 3.918 0.000 . 1 . . . . 146 ARG HA . 17173 1 1092 . 1 1 146 146 ARG HB2 H 1 1.940 0.000 . 2 . . . . 146 ARG HB2 . 17173 1 1093 . 1 1 146 146 ARG HB3 H 1 1.940 0.000 . 2 . . . . 146 ARG HB3 . 17173 1 1094 . 1 1 146 146 ARG HG2 H 1 1.776 0.000 . 2 . . . . 146 ARG HG2 . 17173 1 1095 . 1 1 146 146 ARG HG3 H 1 1.495 0.000 . 2 . . . . 146 ARG HG3 . 17173 1 1096 . 1 1 146 146 ARG CA C 13 58.620 0.000 . 1 . . . . 146 ARG CA . 17173 1 1097 . 1 1 146 146 ARG CB C 13 27.950 0.000 . 1 . . . . 146 ARG CB . 17173 1 1098 . 1 1 146 146 ARG CG C 13 26.726 0.000 . 1 . . . . 146 ARG CG . 17173 1 1099 . 1 1 146 146 ARG N N 15 121.224 0.031 . 1 . . . . 146 ARG N . 17173 1 1100 . 1 1 147 147 SER H H 1 8.226 0.009 . 1 . . . . 147 SER H . 17173 1 1101 . 1 1 147 147 SER HA H 1 4.196 0.005 . 1 . . . . 147 SER HA . 17173 1 1102 . 1 1 147 147 SER HB2 H 1 3.846 0.000 . 2 . . . . 147 SER HB2 . 17173 1 1103 . 1 1 147 147 SER HB3 H 1 3.846 0.000 . 2 . . . . 147 SER HB3 . 17173 1 1104 . 1 1 147 147 SER CA C 13 58.595 0.063 . 1 . . . . 147 SER CA . 17173 1 1105 . 1 1 147 147 SER CB C 13 60.668 0.110 . 1 . . . . 147 SER CB . 17173 1 1106 . 1 1 147 147 SER N N 15 112.001 0.018 . 1 . . . . 147 SER N . 17173 1 1107 . 1 1 148 148 LYS H H 1 7.758 0.002 . 1 . . . . 148 LYS H . 17173 1 1108 . 1 1 148 148 LYS CA C 13 55.853 0.031 . 1 . . . . 148 LYS CA . 17173 1 1109 . 1 1 148 148 LYS N N 15 118.878 0.025 . 1 . . . . 148 LYS N . 17173 1 1110 . 1 1 149 149 CYS H H 1 8.296 0.000 . 1 . . . . 149 CYS H . 17173 1 1111 . 1 1 149 149 CYS CA C 13 57.950 0.000 . 1 . . . . 149 CYS CA . 17173 1 1112 . 1 1 149 149 CYS CB C 13 27.050 0.000 . 1 . . . . 149 CYS CB . 17173 1 1113 . 1 1 149 149 CYS N N 15 113.400 0.000 . 1 . . . . 149 CYS N . 17173 1 1114 . 1 1 150 150 PHE H H 1 7.379 0.000 . 1 . . . . 150 PHE H . 17173 1 1115 . 1 1 150 150 PHE CA C 13 54.520 0.000 . 1 . . . . 150 PHE CA . 17173 1 1116 . 1 1 150 150 PHE CB C 13 37.190 0.000 . 1 . . . . 150 PHE CB . 17173 1 1117 . 1 1 150 150 PHE N N 15 116.700 0.000 . 1 . . . . 150 PHE N . 17173 1 1118 . 1 1 151 151 ALA H H 1 7.724 0.015 . 1 . . . . 151 ALA H . 17173 1 1119 . 1 1 151 151 ALA HA H 1 4.200 0.000 . 1 . . . . 151 ALA HA . 17173 1 1120 . 1 1 151 151 ALA HB1 H 1 1.340 0.000 . 1 . . . . 151 ALA QB . 17173 1 1121 . 1 1 151 151 ALA HB2 H 1 1.340 0.000 . 1 . . . . 151 ALA QB . 17173 1 1122 . 1 1 151 151 ALA HB3 H 1 1.340 0.000 . 1 . . . . 151 ALA QB . 17173 1 1123 . 1 1 151 151 ALA CA C 13 50.760 0.000 . 1 . . . . 151 ALA CA . 17173 1 1124 . 1 1 151 151 ALA CB C 13 15.820 0.000 . 1 . . . . 151 ALA CB . 17173 1 1125 . 1 1 151 151 ALA N N 15 122.641 0.130 . 1 . . . . 151 ALA N . 17173 1 1126 . 1 1 152 152 MET H H 1 8.093 0.001 . 1 . . . . 152 MET H . 17173 1 1127 . 1 1 152 152 MET HA H 1 4.290 0.000 . 1 . . . . 152 MET HA . 17173 1 1128 . 1 1 152 152 MET HB2 H 1 1.750 0.000 . 2 . . . . 152 MET HB2 . 17173 1 1129 . 1 1 152 152 MET HB3 H 1 1.920 0.000 . 2 . . . . 152 MET HB3 . 17173 1 1130 . 1 1 152 152 MET HG2 H 1 2.390 0.000 . 2 . . . . 152 MET HG2 . 17173 1 1131 . 1 1 152 152 MET HG3 H 1 2.455 0.000 . 2 . . . . 152 MET HG3 . 17173 1 1132 . 1 1 152 152 MET CA C 13 53.410 0.000 . 1 . . . . 152 MET CA . 17173 1 1133 . 1 1 152 152 MET CB C 13 30.490 0.000 . 1 . . . . 152 MET CB . 17173 1 1134 . 1 1 152 152 MET CG C 13 29.530 0.000 . 1 . . . . 152 MET CG . 17173 1 1135 . 1 1 152 152 MET N N 15 118.320 0.018 . 1 . . . . 152 MET N . 17173 1 1136 . 1 1 153 153 ASP H H 1 8.327 0.005 . 1 . . . . 153 ASP H . 17173 1 1137 . 1 1 153 153 ASP HA H 1 4.490 0.000 . 1 . . . . 153 ASP HA . 17173 1 1138 . 1 1 153 153 ASP HB2 H 1 2.500 0.000 . 2 . . . . 153 ASP HB2 . 17173 1 1139 . 1 1 153 153 ASP HB3 H 1 2.620 0.000 . 2 . . . . 153 ASP HB3 . 17173 1 1140 . 1 1 153 153 ASP CA C 13 51.680 0.000 . 1 . . . . 153 ASP CA . 17173 1 1141 . 1 1 153 153 ASP CB C 13 38.550 0.000 . 1 . . . . 153 ASP CB . 17173 1 1142 . 1 1 153 153 ASP N N 15 121.803 0.015 . 1 . . . . 153 ASP N . 17173 1 1143 . 1 1 154 154 LEU H H 1 8.103 0.008 . 1 . . . . 154 LEU H . 17173 1 1144 . 1 1 154 154 LEU HA H 1 4.135 0.000 . 1 . . . . 154 LEU HA . 17173 1 1145 . 1 1 154 154 LEU HB2 H 1 1.486 0.000 . 2 . . . . 154 LEU HB2 . 17173 1 1146 . 1 1 154 154 LEU HB3 H 1 1.918 0.000 . 2 . . . . 154 LEU HB3 . 17173 1 1147 . 1 1 154 154 LEU HD11 H 1 0.690 0.000 . 2 . . . . 154 LEU QD1 . 17173 1 1148 . 1 1 154 154 LEU HD12 H 1 0.690 0.000 . 2 . . . . 154 LEU QD1 . 17173 1 1149 . 1 1 154 154 LEU HD13 H 1 0.690 0.000 . 2 . . . . 154 LEU QD1 . 17173 1 1150 . 1 1 154 154 LEU HD21 H 1 0.770 0.000 . 2 . . . . 154 LEU QD2 . 17173 1 1151 . 1 1 154 154 LEU HD22 H 1 0.770 0.000 . 2 . . . . 154 LEU QD2 . 17173 1 1152 . 1 1 154 154 LEU HD23 H 1 0.770 0.000 . 2 . . . . 154 LEU QD2 . 17173 1 1153 . 1 1 154 154 LEU CA C 13 52.820 0.000 . 1 . . . . 154 LEU CA . 17173 1 1154 . 1 1 154 154 LEU CB C 13 39.410 0.000 . 1 . . . . 154 LEU CB . 17173 1 1155 . 1 1 154 154 LEU CD1 C 13 20.660 0.000 . 1 . . . . 154 LEU CD1 . 17173 1 1156 . 1 1 154 154 LEU CD2 C 13 22.700 0.000 . 1 . . . . 154 LEU CD2 . 17173 1 1157 . 1 1 154 154 LEU N N 15 122.546 0.036 . 1 . . . . 154 LEU N . 17173 1 1158 . 1 1 155 155 GLU H H 1 8.223 0.004 . 1 . . . . 155 GLU H . 17173 1 1159 . 1 1 155 155 GLU HA H 1 4.140 0.000 . 1 . . . . 155 GLU HA . 17173 1 1160 . 1 1 155 155 GLU HB2 H 1 1.750 0.000 . 2 . . . . 155 GLU HB2 . 17173 1 1161 . 1 1 155 155 GLU HB3 H 1 1.750 0.000 . 2 . . . . 155 GLU HB3 . 17173 1 1162 . 1 1 155 155 GLU HG2 H 1 2.062 0.000 . 2 . . . . 155 GLU HG2 . 17173 1 1163 . 1 1 155 155 GLU HG3 H 1 1.966 0.000 . 2 . . . . 155 GLU HG3 . 17173 1 1164 . 1 1 155 155 GLU CA C 13 52.810 0.000 . 1 . . . . 155 GLU CA . 17173 1 1165 . 1 1 155 155 GLU CB C 13 27.550 0.000 . 1 . . . . 155 GLU CB . 17173 1 1166 . 1 1 155 155 GLU CG C 13 33.700 0.000 . 1 . . . . 155 GLU CG . 17173 1 1167 . 1 1 155 155 GLU N N 15 120.302 0.001 . 1 . . . . 155 GLU N . 17173 1 stop_ save_