data_18935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18935 _Entry.Title ; African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-03 _Entry.Accession_date 2013-01-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wen-Jin Wu . . . 18935 2 Mei-I Su . . . 18935 3 Ming-Daw Tsai . . . 18935 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18935 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA polymerase' . 18935 NMR . 18935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 571 18935 '15N chemical shifts' 165 18935 '1H chemical shifts' 476 18935 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 . . 2014-05-05 2013-01-03 update BMRB 'update entry citation' 18935 1 . . 2014-03-31 2013-01-03 original author 'original release' 18935 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18933 'African Swine Fever Virus Pol X (free form)' 18935 BMRB 18934 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' 18935 PDB 2M2T 'African Swine Fever Virus Pol X (free form)' 18935 PDB 2M2U 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' 18935 PDB 2M2V 'Ternary complex of African Swine Fever Virus Pol X with DNA and MgdGTP; substrates-bound protein-only structure' 18935 PDB 2M2W 'Ternary complex of African Swine Fever Virus Pol X with DNA and MgdGTP; coordinates of substrates and protein' 18935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24617852 _Citation.Full_citation . _Citation.Title 'How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 136 _Citation.Journal_issue 13 _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 4927 _Citation.Page_last 4937 _Citation.Year 2014 _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 Wen-Jin Wu . . . 18935 1 2 Mei-I Su . . . 18935 1 3 Jian-Li Wu . . . 18935 1 4 Sandeep Kumar . . . 18935 1 5 Liang-Hin Lim . . . 18935 1 6 'Chun-Wei Eric' Wang . . . 18935 1 7 Frank Nelissen . H.T. . 18935 1 8 'Ming-Chuan Chad' Chen . . . 18935 1 9 Jurgen Doreleijers . F. . 18935 1 10 Sybren Wijmenga . S. . 18935 1 11 Ming-Daw Tsai . . . 18935 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18935 _Assembly.ID 1 _Assembly.Name 'African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'African Swine Fever Virus Pol X' 1 $entity A . yes native no no . . . 18935 1 2 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE 3 $entity_DGT B . no native no no . . . 18935 1 3 MG2_1 2 $entity_MG C . no native no no . . . 18935 1 4 MG2_2 2 $entity_MG D . no native no no . . . 18935 1 5 DNA 4 $DNA E . no native no no . . . 18935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLTLIQGKKIVNHLRSRLAF EYNGQLIKILSKNIVAVGSL RREEKMLNDVDLLIIVPEKK LLKHVLPNIRIKGLSFSVKV CGERKCVLFIEWEKKTYQLD LFTALAEEKPYAIFHFTGPV SYLIRIRAALKKKNYKLNQY GLFKNQTLVPLKITTEKELI KELGFTYRIPKKRL ; _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 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20351.670 _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 18933 . entity . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 2 no BMRB 18934 . entity_1 . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 3 no PDB 1JAJ . "Solution Structure Of Dna Polymerase X From The African Swine Fever Virus" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 4 no PDB 1JQR . "Nmr Structure Of The African Swine Fever Virus Dna Polymerase X" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 5 no PDB 2M2T . "Asfv Pol X Structure" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 6 no PDB 2M2U . "Binary Complex Of African Swine Fever Virus Pol X With Mgdgtp" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 7 no PDB 2M2V . "African Swine Fever Virus Pol X In The Ternary Complex With Mgdgtp And Dna" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 8 no PDB 2M2W . "Ternary Complex Of Asfv Pol X With Dna And Mgdgtp" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 9 no EMBL CAN10196 . "DNA polymerase beta-like protein [African swine fever virus Benin 97/1]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 10 no EMBL CAN10446 . "DNA polymerase beta-like protein [African swine fever virus OURT 88/3]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 11 no EMBL CBH29197 . "BA71V-O174L [African swine fever virus E75]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 12 no GB AAA65326 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 13 no GB AIY22288 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 14 no GB AIY22446 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 15 no GB AKO62778 . "pO174L [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 16 no PRF 2113434DC . "DNA polymerase beta-like protein" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 17 no REF NP_042790 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 1 18 no SP P0C984 . "RecName: Full=Repair DNA polymerase X; Short=Pol X [African swine fever virus Malawi LIL 20/1]" . . . . . 100.00 174 98.85 99.43 1.25e-117 . . . . 18935 1 19 no SP P42494 . "RecName: Full=Repair DNA polymerase X; Short=Pol X" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18935 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 . 18935 1 2 . LEU . 18935 1 3 . THR . 18935 1 4 . LEU . 18935 1 5 . ILE . 18935 1 6 . GLN . 18935 1 7 . GLY . 18935 1 8 . LYS . 18935 1 9 . LYS . 18935 1 10 . ILE . 18935 1 11 . VAL . 18935 1 12 . ASN . 18935 1 13 . HIS . 18935 1 14 . LEU . 18935 1 15 . ARG . 18935 1 16 . SER . 18935 1 17 . ARG . 18935 1 18 . LEU . 18935 1 19 . ALA . 18935 1 20 . PHE . 18935 1 21 . GLU . 18935 1 22 . TYR . 18935 1 23 . ASN . 18935 1 24 . GLY . 18935 1 25 . GLN . 18935 1 26 . LEU . 18935 1 27 . ILE . 18935 1 28 . LYS . 18935 1 29 . ILE . 18935 1 30 . LEU . 18935 1 31 . SER . 18935 1 32 . LYS . 18935 1 33 . ASN . 18935 1 34 . ILE . 18935 1 35 . VAL . 18935 1 36 . ALA . 18935 1 37 . VAL . 18935 1 38 . GLY . 18935 1 39 . SER . 18935 1 40 . LEU . 18935 1 41 . ARG . 18935 1 42 . ARG . 18935 1 43 . GLU . 18935 1 44 . GLU . 18935 1 45 . LYS . 18935 1 46 . MET . 18935 1 47 . LEU . 18935 1 48 . ASN . 18935 1 49 . ASP . 18935 1 50 . VAL . 18935 1 51 . ASP . 18935 1 52 . LEU . 18935 1 53 . LEU . 18935 1 54 . ILE . 18935 1 55 . ILE . 18935 1 56 . VAL . 18935 1 57 . PRO . 18935 1 58 . GLU . 18935 1 59 . LYS . 18935 1 60 . LYS . 18935 1 61 . LEU . 18935 1 62 . LEU . 18935 1 63 . LYS . 18935 1 64 . HIS . 18935 1 65 . VAL . 18935 1 66 . LEU . 18935 1 67 . PRO . 18935 1 68 . ASN . 18935 1 69 . ILE . 18935 1 70 . ARG . 18935 1 71 . ILE . 18935 1 72 . LYS . 18935 1 73 . GLY . 18935 1 74 . LEU . 18935 1 75 . SER . 18935 1 76 . PHE . 18935 1 77 . SER . 18935 1 78 . VAL . 18935 1 79 . LYS . 18935 1 80 . VAL . 18935 1 81 . CYS . 18935 1 82 . GLY . 18935 1 83 . GLU . 18935 1 84 . ARG . 18935 1 85 . LYS . 18935 1 86 . CYS . 18935 1 87 . VAL . 18935 1 88 . LEU . 18935 1 89 . PHE . 18935 1 90 . ILE . 18935 1 91 . GLU . 18935 1 92 . TRP . 18935 1 93 . GLU . 18935 1 94 . LYS . 18935 1 95 . LYS . 18935 1 96 . THR . 18935 1 97 . TYR . 18935 1 98 . GLN . 18935 1 99 . LEU . 18935 1 100 . ASP . 18935 1 101 . LEU . 18935 1 102 . PHE . 18935 1 103 . THR . 18935 1 104 . ALA . 18935 1 105 . LEU . 18935 1 106 . ALA . 18935 1 107 . GLU . 18935 1 108 . GLU . 18935 1 109 . LYS . 18935 1 110 . PRO . 18935 1 111 . TYR . 18935 1 112 . ALA . 18935 1 113 . ILE . 18935 1 114 . PHE . 18935 1 115 . HIS . 18935 1 116 . PHE . 18935 1 117 . THR . 18935 1 118 . GLY . 18935 1 119 . PRO . 18935 1 120 . VAL . 18935 1 121 . SER . 18935 1 122 . TYR . 18935 1 123 . LEU . 18935 1 124 . ILE . 18935 1 125 . ARG . 18935 1 126 . ILE . 18935 1 127 . ARG . 18935 1 128 . ALA . 18935 1 129 . ALA . 18935 1 130 . LEU . 18935 1 131 . LYS . 18935 1 132 . LYS . 18935 1 133 . LYS . 18935 1 134 . ASN . 18935 1 135 . TYR . 18935 1 136 . LYS . 18935 1 137 . LEU . 18935 1 138 . ASN . 18935 1 139 . GLN . 18935 1 140 . TYR . 18935 1 141 . GLY . 18935 1 142 . LEU . 18935 1 143 . PHE . 18935 1 144 . LYS . 18935 1 145 . ASN . 18935 1 146 . GLN . 18935 1 147 . THR . 18935 1 148 . LEU . 18935 1 149 . VAL . 18935 1 150 . PRO . 18935 1 151 . LEU . 18935 1 152 . LYS . 18935 1 153 . ILE . 18935 1 154 . THR . 18935 1 155 . THR . 18935 1 156 . GLU . 18935 1 157 . LYS . 18935 1 158 . GLU . 18935 1 159 . LEU . 18935 1 160 . ILE . 18935 1 161 . LYS . 18935 1 162 . GLU . 18935 1 163 . LEU . 18935 1 164 . GLY . 18935 1 165 . PHE . 18935 1 166 . THR . 18935 1 167 . TYR . 18935 1 168 . ARG . 18935 1 169 . ILE . 18935 1 170 . PRO . 18935 1 171 . LYS . 18935 1 172 . LYS . 18935 1 173 . ARG . 18935 1 174 . LEU . 18935 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 18935 1 . LEU 2 2 18935 1 . THR 3 3 18935 1 . LEU 4 4 18935 1 . ILE 5 5 18935 1 . GLN 6 6 18935 1 . GLY 7 7 18935 1 . LYS 8 8 18935 1 . LYS 9 9 18935 1 . ILE 10 10 18935 1 . VAL 11 11 18935 1 . ASN 12 12 18935 1 . HIS 13 13 18935 1 . LEU 14 14 18935 1 . ARG 15 15 18935 1 . SER 16 16 18935 1 . ARG 17 17 18935 1 . LEU 18 18 18935 1 . ALA 19 19 18935 1 . PHE 20 20 18935 1 . GLU 21 21 18935 1 . TYR 22 22 18935 1 . ASN 23 23 18935 1 . GLY 24 24 18935 1 . GLN 25 25 18935 1 . LEU 26 26 18935 1 . ILE 27 27 18935 1 . LYS 28 28 18935 1 . ILE 29 29 18935 1 . LEU 30 30 18935 1 . SER 31 31 18935 1 . LYS 32 32 18935 1 . ASN 33 33 18935 1 . ILE 34 34 18935 1 . VAL 35 35 18935 1 . ALA 36 36 18935 1 . VAL 37 37 18935 1 . GLY 38 38 18935 1 . SER 39 39 18935 1 . LEU 40 40 18935 1 . ARG 41 41 18935 1 . ARG 42 42 18935 1 . GLU 43 43 18935 1 . GLU 44 44 18935 1 . LYS 45 45 18935 1 . MET 46 46 18935 1 . LEU 47 47 18935 1 . ASN 48 48 18935 1 . ASP 49 49 18935 1 . VAL 50 50 18935 1 . ASP 51 51 18935 1 . LEU 52 52 18935 1 . LEU 53 53 18935 1 . ILE 54 54 18935 1 . ILE 55 55 18935 1 . VAL 56 56 18935 1 . PRO 57 57 18935 1 . GLU 58 58 18935 1 . LYS 59 59 18935 1 . LYS 60 60 18935 1 . LEU 61 61 18935 1 . LEU 62 62 18935 1 . LYS 63 63 18935 1 . HIS 64 64 18935 1 . VAL 65 65 18935 1 . LEU 66 66 18935 1 . PRO 67 67 18935 1 . ASN 68 68 18935 1 . ILE 69 69 18935 1 . ARG 70 70 18935 1 . ILE 71 71 18935 1 . LYS 72 72 18935 1 . GLY 73 73 18935 1 . LEU 74 74 18935 1 . SER 75 75 18935 1 . PHE 76 76 18935 1 . SER 77 77 18935 1 . VAL 78 78 18935 1 . LYS 79 79 18935 1 . VAL 80 80 18935 1 . CYS 81 81 18935 1 . GLY 82 82 18935 1 . GLU 83 83 18935 1 . ARG 84 84 18935 1 . LYS 85 85 18935 1 . CYS 86 86 18935 1 . VAL 87 87 18935 1 . LEU 88 88 18935 1 . PHE 89 89 18935 1 . ILE 90 90 18935 1 . GLU 91 91 18935 1 . TRP 92 92 18935 1 . GLU 93 93 18935 1 . LYS 94 94 18935 1 . LYS 95 95 18935 1 . THR 96 96 18935 1 . TYR 97 97 18935 1 . GLN 98 98 18935 1 . LEU 99 99 18935 1 . ASP 100 100 18935 1 . LEU 101 101 18935 1 . PHE 102 102 18935 1 . THR 103 103 18935 1 . ALA 104 104 18935 1 . LEU 105 105 18935 1 . ALA 106 106 18935 1 . GLU 107 107 18935 1 . GLU 108 108 18935 1 . LYS 109 109 18935 1 . PRO 110 110 18935 1 . TYR 111 111 18935 1 . ALA 112 112 18935 1 . ILE 113 113 18935 1 . PHE 114 114 18935 1 . HIS 115 115 18935 1 . PHE 116 116 18935 1 . THR 117 117 18935 1 . GLY 118 118 18935 1 . PRO 119 119 18935 1 . VAL 120 120 18935 1 . SER 121 121 18935 1 . TYR 122 122 18935 1 . LEU 123 123 18935 1 . ILE 124 124 18935 1 . ARG 125 125 18935 1 . ILE 126 126 18935 1 . ARG 127 127 18935 1 . ALA 128 128 18935 1 . ALA 129 129 18935 1 . LEU 130 130 18935 1 . LYS 131 131 18935 1 . LYS 132 132 18935 1 . LYS 133 133 18935 1 . ASN 134 134 18935 1 . TYR 135 135 18935 1 . LYS 136 136 18935 1 . LEU 137 137 18935 1 . ASN 138 138 18935 1 . GLN 139 139 18935 1 . TYR 140 140 18935 1 . GLY 141 141 18935 1 . LEU 142 142 18935 1 . PHE 143 143 18935 1 . LYS 144 144 18935 1 . ASN 145 145 18935 1 . GLN 146 146 18935 1 . THR 147 147 18935 1 . LEU 148 148 18935 1 . VAL 149 149 18935 1 . PRO 150 150 18935 1 . LEU 151 151 18935 1 . LYS 152 152 18935 1 . ILE 153 153 18935 1 . THR 154 154 18935 1 . THR 155 155 18935 1 . GLU 156 156 18935 1 . LYS 157 157 18935 1 . GLU 158 158 18935 1 . LEU 159 159 18935 1 . ILE 160 160 18935 1 . LYS 161 161 18935 1 . GLU 162 162 18935 1 . LEU 163 163 18935 1 . GLY 164 164 18935 1 . PHE 165 165 18935 1 . THR 166 166 18935 1 . TYR 167 167 18935 1 . ARG 168 168 18935 1 . ILE 169 169 18935 1 . PRO 170 170 18935 1 . LYS 171 171 18935 1 . LYS 172 172 18935 1 . ARG 173 173 18935 1 . LEU 174 174 18935 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 18935 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 18935 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 18935 2 MG 'Three letter code' 18935 2 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 1 MG $chem_comp_MG 18935 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MG MG 18935 2 stop_ save_ save_entity_DGT _Entity.Sf_category entity _Entity.Sf_framecode entity_DGT _Entity.Entry_ID 18935 _Entity.ID 3 _Entity.BMRB_code DGT _Entity.Name entity_DGT _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID DGT _Entity.Nonpolymer_comp_label $chem_comp_DGT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 507.181 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE BMRB 18935 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE BMRB 18935 3 DGT 'Three letter code' 18935 3 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 1 DGT $chem_comp_DGT 18935 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 DGT C1' 18935 3 2 1 DGT C2 18935 3 3 1 DGT C2' 18935 3 4 1 DGT C3' 18935 3 5 1 DGT C4 18935 3 6 1 DGT C4' 18935 3 7 1 DGT C5 18935 3 8 1 DGT C5' 18935 3 9 1 DGT C6 18935 3 10 1 DGT C8 18935 3 11 1 DGT H1' 18935 3 12 1 DGT H16 18935 3 13 1 DGT H2' 18935 3 14 1 DGT H2'A 18935 3 15 1 DGT H3' 18935 3 16 1 DGT H4' 18935 3 17 1 DGT H5' 18935 3 18 1 DGT H5'A 18935 3 19 1 DGT H8 18935 3 20 1 DGT HN2 18935 3 21 1 DGT HN2A 18935 3 22 1 DGT HO1A 18935 3 23 1 DGT HO1B 18935 3 24 1 DGT HO1G 18935 3 25 1 DGT HO2G 18935 3 26 1 DGT HO3' 18935 3 27 1 DGT N1 18935 3 28 1 DGT N2 18935 3 29 1 DGT N3 18935 3 30 1 DGT N7 18935 3 31 1 DGT N9 18935 3 32 1 DGT O1A 18935 3 33 1 DGT O1B 18935 3 34 1 DGT O1G 18935 3 35 1 DGT O2A 18935 3 36 1 DGT O2B 18935 3 37 1 DGT O2G 18935 3 38 1 DGT O3' 18935 3 39 1 DGT O3A 18935 3 40 1 DGT O3B 18935 3 41 1 DGT O3G 18935 3 42 1 DGT O4' 18935 3 43 1 DGT O5' 18935 3 44 1 DGT O6 18935 3 45 1 DGT PA 18935 3 46 1 DGT PB 18935 3 47 1 DGT PG 18935 3 stop_ save_ save_DNA _Entity.Sf_category entity _Entity.Sf_framecode DNA _Entity.Entry_ID 18935 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCGAAGCCGGGTGCGAAGC ACC ; _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DG . 18935 4 2 . DG . 18935 4 3 . DC . 18935 4 4 . DG . 18935 4 5 . DA . 18935 4 6 . DA . 18935 4 7 . DG . 18935 4 8 . DC . 18935 4 9 . DC . 18935 4 10 . DG . 18935 4 11 . DG . 18935 4 12 . DG . 18935 4 13 . DT . 18935 4 14 . DG . 18935 4 15 . DC . 18935 4 16 . DG . 18935 4 17 . DA . 18935 4 18 . DA . 18935 4 19 . DG . 18935 4 20 . DC . 18935 4 21 . DA . 18935 4 22 . DC . 18935 4 23 . DC . 18935 4 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 . DG 1 1 18935 4 . DG 2 2 18935 4 . DC 3 3 18935 4 . DG 4 4 18935 4 . DA 5 5 18935 4 . DA 6 6 18935 4 . DG 7 7 18935 4 . DC 8 8 18935 4 . DC 9 9 18935 4 . DG 10 10 18935 4 . DG 11 11 18935 4 . DG 12 12 18935 4 . DT 13 13 18935 4 . DG 14 14 18935 4 . DC 15 15 18935 4 . DG 16 16 18935 4 . DA 17 17 18935 4 . DA 18 18 18935 4 . DG 19 19 18935 4 . DC 20 20 18935 4 . DA 21 21 18935 4 . DC 22 22 18935 4 . DC 23 23 18935 4 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 18935 _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 $entity . 10497 organism . 'African Swine Fever Virus' 'African Swine Fever Virus' . . Viruses . Asfivirus 'African Swine Fever Virus' . . . . . . . . . . . . . . . . . . . . . 18935 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 18935 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-17b . . . . . . 18935 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 18935 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 18935 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 18935 MG [Mg++] SMILES CACTVS 3.341 18935 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 18935 MG [Mg+2] SMILES ACDLabs 10.04 18935 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 18935 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18935 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 18935 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18935 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18935 MG stop_ save_ save_chem_comp_DGT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DGT _Chem_comp.Entry_ID 18935 _Chem_comp.ID DGT _Chem_comp.Provenance PDB _Chem_comp.Name 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code DGT _Chem_comp.PDB_code DGT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code DGT _Chem_comp.Number_atoms_all 47 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HK8 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 18935 DGT c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18935 DGT HAAZLUGHYHWQIW-KVQBGUIXSA-N InChIKey InChI 1.03 18935 DGT InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 InChI InChI 1.03 18935 DGT NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3 SMILES_CANONICAL CACTVS 3.341 18935 DGT NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 SMILES CACTVS 3.341 18935 DGT O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O SMILES ACDLabs 10.04 18935 DGT stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2'-deoxyguanosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 18935 DGT '[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18935 DGT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 no no . . . . 32.266 . 78.871 . 76.218 . -6.722 1.739 -0.798 1 . 18935 DGT O1G O1G O1G O1G . O . . N 0 . . . 1 no no . . . . 31.153 . 79.985 . 76.366 . -7.321 0.703 -1.876 2 . 18935 DGT O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 33.145 . 78.551 . 77.503 . -6.586 3.195 -1.471 3 . 18935 DGT O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 31.600 . 77.506 . 75.758 . -7.629 1.817 0.368 4 . 18935 DGT O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 33.211 . 79.424 . 75.063 . -5.271 1.232 -0.317 5 . 18935 DGT PB PB PB PB . P . . S 0 . . . 1 no no . . . . 34.610 . 78.768 . 74.667 . -4.764 0.060 0.662 6 . 18935 DGT O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 34.597 . 77.173 . 74.731 . -5.022 0.489 2.192 7 . 18935 DGT O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 34.904 . 79.361 . 73.231 . -5.508 -1.185 0.368 8 . 18935 DGT O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 35.682 . 79.283 . 75.741 . -3.190 -0.189 0.432 9 . 18935 DGT PA PA PA PA . P . . R 0 . . . 1 no no . . . . 36.293 . 80.771 . 75.717 . -2.192 -1.411 0.751 10 . 18935 DGT O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 36.826 . 81.090 . 77.182 . -1.875 -1.448 2.329 11 . 18935 DGT O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 37.451 . 80.843 . 74.624 . -2.828 -2.685 0.346 12 . 18935 DGT O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 35.068 . 81.728 . 75.281 . -0.821 -1.212 -0.068 13 . 18935 DGT C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 34.201 . 82.274 . 76.270 . 0.228 -2.183 -0.079 14 . 18935 DGT C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 33.306 . 83.380 . 75.714 . 1.380 -1.680 -0.950 15 . 18935 DGT O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 34.029 . 84.594 . 75.478 . 2.030 -0.550 -0.330 16 . 18935 DGT C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 32.567 . 83.020 . 74.433 . 2.503 -2.744 -1.038 17 . 18935 DGT O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 31.175 . 82.994 . 74.711 . 2.243 -3.674 -2.091 18 . 18935 DGT C2' C2' C2' C2' . C . . N 0 . . . 1 no no . . . . 32.894 . 84.114 . 73.428 . 3.746 -1.879 -1.358 19 . 18935 DGT C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 33.803 . 85.105 . 74.157 . 3.348 -0.460 -0.898 20 . 18935 DGT N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 35.124 . 85.396 . 73.513 . 4.294 0.020 0.112 21 . 18935 DGT C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 35.944 . 84.585 . 72.778 . 4.145 -0.070 1.466 22 . 18935 DGT N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 37.088 . 85.251 . 72.377 . 5.176 0.458 2.059 23 . 18935 DGT C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 37.028 . 86.519 . 72.862 . 6.045 0.916 1.125 24 . 18935 DGT C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 37.806 . 87.806 . 72.885 . 7.301 1.565 1.183 25 . 18935 DGT O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 38.913 . 87.924 . 72.312 . 7.822 1.824 2.254 26 . 18935 DGT N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 37.324 . 88.886 . 73.533 . 7.908 1.891 0.021 27 . 18935 DGT C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 36.144 . 88.892 . 74.184 . 7.317 1.597 -1.172 28 . 18935 DGT N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 35.763 . 90.040 . 74.793 . 7.957 1.939 -2.336 29 . 18935 DGT N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 35.343 . 87.792 . 74.245 . 6.151 0.994 -1.238 30 . 18935 DGT C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 35.765 . 86.571 . 73.584 . 5.492 0.636 -0.130 31 . 18935 DGT HO1G HO1G HO1G HO1G . H . . N 0 . . . 0 no no . . . . 30.930 . 80.090 . 77.283 . -6.777 0.602 -2.669 32 . 18935 DGT HO2G HO2G HO2G HO2G . H . . N 0 . . . 0 no no . . . . 34.060 . 78.487 . 77.254 . -7.424 3.563 -1.785 33 . 18935 DGT HO1B HO1B HO1B HO1B . H . . N 0 . . . 0 no no . . . . 34.594 . 76.820 . 73.849 . -4.564 1.299 2.456 34 . 18935 DGT HO1A HO1A HO1A HO1A . H . . N 0 . . . 0 no no . . . . 37.774 . 81.154 . 77.168 . -1.457 -0.644 2.665 35 . 18935 DGT H5' H5' H5' H5' . H . . N 0 . . . 1 no no . . . . 33.560 . 81.468 . 76.656 . 0.585 -2.344 0.939 36 . 18935 DGT H5'A H5'A H5'A H5'A . H . . N 0 . . . 0 no no . . . . 34.827 . 82.713 . 77.061 . -0.151 -3.122 -0.483 37 . 18935 DGT H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 32.558 . 83.520 . 76.508 . 1.021 -1.418 -1.945 38 . 18935 DGT H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 32.861 . 82.036 . 74.038 . 2.624 -3.262 -0.086 39 . 18935 DGT HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no no . . . . 31.039 . 82.988 . 75.651 . 2.918 -4.360 -2.186 40 . 18935 DGT H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 33.406 . 83.692 . 72.551 . 4.613 -2.234 -0.800 41 . 18935 DGT H2'A H2'A H2'A H2'A . H . . N 0 . . . 0 no no . . . . 31.981 . 84.605 . 73.061 . 3.951 -1.888 -2.429 42 . 18935 DGT H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 33.273 . 86.069 . 74.140 . 3.338 0.218 -1.752 43 . 18935 DGT H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 35.726 . 83.554 . 72.541 . 3.298 -0.513 1.969 44 . 18935 DGT HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 36.453 . 90.751 . 74.659 . 8.818 2.385 -2.303 45 . 18935 DGT HN2A HN2A HN2A HN2A . H . . N 0 . . . 0 no no . . . . 34.912 . 90.160 . 75.304 . 7.549 1.737 -3.192 46 . 18935 DGT H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . 37.869 . 89.724 . 73.530 . 8.770 2.336 0.035 47 . 18935 DGT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING PG O1G no N 1 . 18935 DGT 2 . SING PG O2G no N 2 . 18935 DGT 3 . SING O1G HO1G no N 3 . 18935 DGT 4 . SING O2G HO2G no N 4 . 18935 DGT 5 . DOUB O3G PG no N 5 . 18935 DGT 6 . SING O3B PG no N 6 . 18935 DGT 7 . SING PB O3B no N 7 . 18935 DGT 8 . SING PB O1B no N 8 . 18935 DGT 9 . SING PB O3A no N 9 . 18935 DGT 10 . SING O1B HO1B no N 10 . 18935 DGT 11 . DOUB O2B PB no N 11 . 18935 DGT 12 . SING PA O3A no N 12 . 18935 DGT 13 . SING PA O1A no N 13 . 18935 DGT 14 . SING O1A HO1A no N 14 . 18935 DGT 15 . DOUB O2A PA no N 15 . 18935 DGT 16 . SING O5' PA no N 16 . 18935 DGT 17 . SING O5' C5' no N 17 . 18935 DGT 18 . SING C5' H5' no N 18 . 18935 DGT 19 . SING C5' H5'A no N 19 . 18935 DGT 20 . SING C4' C5' no N 20 . 18935 DGT 21 . SING C4' H4' no N 21 . 18935 DGT 22 . SING O4' C4' no N 22 . 18935 DGT 23 . SING C3' C4' no N 23 . 18935 DGT 24 . SING C3' O3' no N 24 . 18935 DGT 25 . SING C3' H3' no N 25 . 18935 DGT 26 . SING O3' HO3' no N 26 . 18935 DGT 27 . SING C2' C3' no N 27 . 18935 DGT 28 . SING C2' C1' no N 28 . 18935 DGT 29 . SING C2' H2' no N 29 . 18935 DGT 30 . SING C2' H2'A no N 30 . 18935 DGT 31 . SING C1' O4' no N 31 . 18935 DGT 32 . SING C1' H1' no N 32 . 18935 DGT 33 . SING N9 C1' no N 33 . 18935 DGT 34 . SING N9 C4 yes N 34 . 18935 DGT 35 . SING C8 N9 yes N 35 . 18935 DGT 36 . SING C8 H8 no N 36 . 18935 DGT 37 . DOUB N7 C8 yes N 37 . 18935 DGT 38 . SING N7 C5 yes N 38 . 18935 DGT 39 . SING C5 C6 no N 39 . 18935 DGT 40 . DOUB C5 C4 yes N 40 . 18935 DGT 41 . SING C6 N1 no N 41 . 18935 DGT 42 . DOUB O6 C6 no N 42 . 18935 DGT 43 . SING N1 C2 no N 43 . 18935 DGT 44 . DOUB C2 N3 no N 44 . 18935 DGT 45 . SING C2 N2 no N 45 . 18935 DGT 46 . SING N2 HN2 no N 46 . 18935 DGT 47 . SING N2 HN2A no N 47 . 18935 DGT 48 . SING C4 N3 no N 48 . 18935 DGT 49 . SING N1 H16 no N 49 . 18935 DGT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18935 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'African Swine Fever Virus Pol X' 'ILV-CH3-[U-13C; U-15N; U-2H]' . . 1 $entity . . 0.5 . . mM . . . . 18935 1 2 Mg 'natural abundance' . . 2 $entity_MG . . 10 . . mM . . . . 18935 1 3 dGTP 'natural abundance' . . 3 $entity_DGT . . 4 . . mM . . . . 18935 1 4 DNA '[U-100% 13C; U-100% 15N]' . . . . . . 0.6 . . mM . . . . 18935 1 5 Borate 'natural abundance' . . . . . . 50 . . mM . . . . 18935 1 6 DTT [U-2H] . . . . . . 10 . . mM . . . . 18935 1 7 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18935 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 18935 _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' 250 . mM 18935 1 pH 6.5 . pH 18935 1 pressure 1 . atm 18935 1 temperature 293 . K 18935 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18935 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18935 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18935 1 stop_ save_ save_Haddock _Software.Sf_category software _Software.Sf_framecode Haddock _Software.Entry_ID 18935 _Software.ID 2 _Software.Name HADDOCK _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Alexandre Bonvin' . . 18935 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18935 2 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 18935 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18935 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18935 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18935 _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 . 850 . . . 18935 1 2 spectrometer_2 Bruker Avance . 800 . . . 18935 1 3 spectrometer_3 Bruker Avance . 600 . . . 18935 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 18935 _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 . . . . . . . . . . . . . . . . . . . . . 18935 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 9 '3D HMCMCGCBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 1 10 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18935 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 18935 _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 . . . . . . . . . 18935 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18935 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18935 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 18935 _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' . . . 18935 1 2 '2D 1H-13C HSQC' . . . 18935 1 3 '3D HNCO' . . . 18935 1 4 '3D HNCA' . . . 18935 1 5 '3D HNCACB' . . . 18935 1 7 '3D 1H-13C NOESY' . . . 18935 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 2 2 LEU H H 1 9.251 0.020 . 1 . . . A 2 LEU H . 18935 1 2 . 1 1 2 2 LEU HD11 H 1 0.393 0.020 . 1 . . . A 2 LEU HD11 . 18935 1 3 . 1 1 2 2 LEU HD12 H 1 0.393 0.020 . 1 . . . A 2 LEU HD12 . 18935 1 4 . 1 1 2 2 LEU HD13 H 1 0.393 0.020 . 1 . . . A 2 LEU HD13 . 18935 1 5 . 1 1 2 2 LEU HD21 H 1 0.439 0.020 . 1 . . . A 2 LEU HD21 . 18935 1 6 . 1 1 2 2 LEU HD22 H 1 0.439 0.020 . 1 . . . A 2 LEU HD22 . 18935 1 7 . 1 1 2 2 LEU HD23 H 1 0.439 0.020 . 1 . . . A 2 LEU HD23 . 18935 1 8 . 1 1 2 2 LEU C C 13 175.307 0.3 . 1 . . . A 2 LEU C . 18935 1 9 . 1 1 2 2 LEU CA C 13 54.292 0.3 . 1 . . . A 2 LEU CA . 18935 1 10 . 1 1 2 2 LEU CB C 13 42.684 0.3 . 1 . . . A 2 LEU CB . 18935 1 11 . 1 1 2 2 LEU CD1 C 13 26.394 0.3 . 1 . . . A 2 LEU CD1 . 18935 1 12 . 1 1 2 2 LEU CD2 C 13 25.253 0.3 . 1 . . . A 2 LEU CD2 . 18935 1 13 . 1 1 2 2 LEU N N 15 119.937 0.3 . 1 . . . A 2 LEU N . 18935 1 14 . 1 1 3 3 THR H H 1 8.677 0.020 . 1 . . . A 3 THR H . 18935 1 15 . 1 1 3 3 THR C C 13 175.854 0.3 . 1 . . . A 3 THR C . 18935 1 16 . 1 1 3 3 THR CA C 13 60.540 0.3 . 1 . . . A 3 THR CA . 18935 1 17 . 1 1 3 3 THR CB C 13 70.782 0.3 . 1 . . . A 3 THR CB . 18935 1 18 . 1 1 3 3 THR N N 15 111.335 0.3 . 1 . . . A 3 THR N . 18935 1 19 . 1 1 4 4 LEU H H 1 7.746 0.020 . 1 . . . A 4 LEU H . 18935 1 20 . 1 1 4 4 LEU HD11 H 1 1.171 0.020 . 1 . . . A 4 LEU HD11 . 18935 1 21 . 1 1 4 4 LEU HD12 H 1 1.171 0.020 . 1 . . . A 4 LEU HD12 . 18935 1 22 . 1 1 4 4 LEU HD13 H 1 1.171 0.020 . 1 . . . A 4 LEU HD13 . 18935 1 23 . 1 1 4 4 LEU HD21 H 1 0.795 0.020 . 1 . . . A 4 LEU HD21 . 18935 1 24 . 1 1 4 4 LEU HD22 H 1 0.795 0.020 . 1 . . . A 4 LEU HD22 . 18935 1 25 . 1 1 4 4 LEU HD23 H 1 0.795 0.020 . 1 . . . A 4 LEU HD23 . 18935 1 26 . 1 1 4 4 LEU C C 13 178.391 0.3 . 1 . . . A 4 LEU C . 18935 1 27 . 1 1 4 4 LEU CA C 13 58.064 0.3 . 1 . . . A 4 LEU CA . 18935 1 28 . 1 1 4 4 LEU CB C 13 39.261 0.3 . 1 . . . A 4 LEU CB . 18935 1 29 . 1 1 4 4 LEU CD1 C 13 23.323 0.3 . 1 . . . A 4 LEU CD1 . 18935 1 30 . 1 1 4 4 LEU CD2 C 13 25.258 0.3 . 1 . . . A 4 LEU CD2 . 18935 1 31 . 1 1 4 4 LEU N N 15 120.988 0.3 . 1 . . . A 4 LEU N . 18935 1 32 . 1 1 5 5 ILE H H 1 7.821 0.020 . 1 . . . A 5 ILE H . 18935 1 33 . 1 1 5 5 ILE HD11 H 1 0.923 0.020 . 1 . . . A 5 ILE HD11 . 18935 1 34 . 1 1 5 5 ILE HD12 H 1 0.923 0.020 . 1 . . . A 5 ILE HD12 . 18935 1 35 . 1 1 5 5 ILE HD13 H 1 0.923 0.020 . 1 . . . A 5 ILE HD13 . 18935 1 36 . 1 1 5 5 ILE C C 13 178.339 0.3 . 1 . . . A 5 ILE C . 18935 1 37 . 1 1 5 5 ILE CA C 13 63.582 0.3 . 1 . . . A 5 ILE CA . 18935 1 38 . 1 1 5 5 ILE CB C 13 36.799 0.3 . 1 . . . A 5 ILE CB . 18935 1 39 . 1 1 5 5 ILE CD1 C 13 12.731 0.3 . 1 . . . A 5 ILE CD1 . 18935 1 40 . 1 1 5 5 ILE N N 15 114.236 0.3 . 1 . . . A 5 ILE N . 18935 1 41 . 1 1 6 6 GLN H H 1 7.810 0.020 . 1 . . . A 6 GLN H . 18935 1 42 . 1 1 6 6 GLN C C 13 178.783 0.3 . 1 . . . A 6 GLN C . 18935 1 43 . 1 1 6 6 GLN CA C 13 58.220 0.3 . 1 . . . A 6 GLN CA . 18935 1 44 . 1 1 6 6 GLN CB C 13 28.115 0.3 . 1 . . . A 6 GLN CB . 18935 1 45 . 1 1 6 6 GLN N N 15 120.399 0.3 . 1 . . . A 6 GLN N . 18935 1 46 . 1 1 7 7 GLY H H 1 8.733 0.020 . 1 . . . A 7 GLY H . 18935 1 47 . 1 1 7 7 GLY C C 13 174.554 0.3 . 1 . . . A 7 GLY C . 18935 1 48 . 1 1 7 7 GLY CA C 13 46.934 0.3 . 1 . . . A 7 GLY CA . 18935 1 49 . 1 1 7 7 GLY N N 15 106.277 0.3 . 1 . . . A 7 GLY N . 18935 1 50 . 1 1 8 8 LYS H H 1 8.688 0.020 . 1 . . . A 8 LYS H . 18935 1 51 . 1 1 8 8 LYS C C 13 179.433 0.3 . 1 . . . A 8 LYS C . 18935 1 52 . 1 1 8 8 LYS CA C 13 59.892 0.3 . 1 . . . A 8 LYS CA . 18935 1 53 . 1 1 8 8 LYS CB C 13 31.332 0.3 . 1 . . . A 8 LYS CB . 18935 1 54 . 1 1 8 8 LYS N N 15 119.991 0.3 . 1 . . . A 8 LYS N . 18935 1 55 . 1 1 9 9 LYS H H 1 8.015 0.020 . 1 . . . A 9 LYS H . 18935 1 56 . 1 1 9 9 LYS CA C 13 59.382 0.3 . 1 . . . A 9 LYS CA . 18935 1 57 . 1 1 9 9 LYS CB C 13 31.435 0.3 . 1 . . . A 9 LYS CB . 18935 1 58 . 1 1 9 9 LYS N N 15 119.175 0.3 . 1 . . . A 9 LYS N . 18935 1 59 . 1 1 10 10 ILE H H 1 7.967 0.020 . 1 . . . A 10 ILE H . 18935 1 60 . 1 1 10 10 ILE HD11 H 1 -0.196 0.020 . 1 . . . A 10 ILE HD11 . 18935 1 61 . 1 1 10 10 ILE HD12 H 1 -0.196 0.020 . 1 . . . A 10 ILE HD12 . 18935 1 62 . 1 1 10 10 ILE HD13 H 1 -0.196 0.020 . 1 . . . A 10 ILE HD13 . 18935 1 63 . 1 1 10 10 ILE C C 13 177.766 0.3 . 1 . . . A 10 ILE C . 18935 1 64 . 1 1 10 10 ILE CA C 13 64.676 0.3 . 1 . . . A 10 ILE CA . 18935 1 65 . 1 1 10 10 ILE CB C 13 36.313 0.3 . 1 . . . A 10 ILE CB . 18935 1 66 . 1 1 10 10 ILE CD1 C 13 13.100 0.3 . 1 . . . A 10 ILE CD1 . 18935 1 67 . 1 1 10 10 ILE N N 15 120.308 0.3 . 1 . . . A 10 ILE N . 18935 1 68 . 1 1 11 11 VAL H H 1 8.128 0.020 . 1 . . . A 11 VAL H . 18935 1 69 . 1 1 11 11 VAL HG11 H 1 0.838 0.020 . 1 . . . A 11 VAL HG11 . 18935 1 70 . 1 1 11 11 VAL HG12 H 1 0.838 0.020 . 1 . . . A 11 VAL HG12 . 18935 1 71 . 1 1 11 11 VAL HG13 H 1 0.838 0.020 . 1 . . . A 11 VAL HG13 . 18935 1 72 . 1 1 11 11 VAL HG21 H 1 0.896 0.020 . 1 . . . A 11 VAL HG21 . 18935 1 73 . 1 1 11 11 VAL HG22 H 1 0.896 0.020 . 1 . . . A 11 VAL HG22 . 18935 1 74 . 1 1 11 11 VAL HG23 H 1 0.896 0.020 . 1 . . . A 11 VAL HG23 . 18935 1 75 . 1 1 11 11 VAL C C 13 176.606 0.3 . 1 . . . A 11 VAL C . 18935 1 76 . 1 1 11 11 VAL CA C 13 67.640 0.3 . 1 . . . A 11 VAL CA . 18935 1 77 . 1 1 11 11 VAL CB C 13 30.209 0.3 . 1 . . . A 11 VAL CB . 18935 1 78 . 1 1 11 11 VAL CG1 C 13 21.324 0.3 . 1 . . . A 11 VAL CG1 . 18935 1 79 . 1 1 11 11 VAL CG2 C 13 25.055 0.3 . 1 . . . A 11 VAL CG2 . 18935 1 80 . 1 1 11 11 VAL N N 15 119.130 0.3 . 1 . . . A 11 VAL N . 18935 1 81 . 1 1 12 12 ASN H H 1 8.203 0.020 . 1 . . . A 12 ASN H . 18935 1 82 . 1 1 12 12 ASN C C 13 177.375 0.3 . 1 . . . A 12 ASN C . 18935 1 83 . 1 1 12 12 ASN CA C 13 55.970 0.3 . 1 . . . A 12 ASN CA . 18935 1 84 . 1 1 12 12 ASN CB C 13 37.563 0.3 . 1 . . . A 12 ASN CB . 18935 1 85 . 1 1 12 12 ASN N N 15 115.822 0.3 . 1 . . . A 12 ASN N . 18935 1 86 . 1 1 13 13 HIS H H 1 7.861 0.020 . 1 . . . A 13 HIS H . 18935 1 87 . 1 1 13 13 HIS HB2 H 1 3.116 0.020 . 1 . . . A 13 HIS HB2 . 18935 1 88 . 1 1 13 13 HIS HB3 H 1 3.116 0.020 . 1 . . . A 13 HIS HB3 . 18935 1 89 . 1 1 13 13 HIS C C 13 177.287 0.3 . 1 . . . A 13 HIS C . 18935 1 90 . 1 1 13 13 HIS CA C 13 58.687 0.3 . 1 . . . A 13 HIS CA . 18935 1 91 . 1 1 13 13 HIS CB C 13 30.021 0.3 . 1 . . . A 13 HIS CB . 18935 1 92 . 1 1 13 13 HIS N N 15 117.659 0.3 . 1 . . . A 13 HIS N . 18935 1 93 . 1 1 14 14 LEU H H 1 8.376 0.020 . 1 . . . A 14 LEU H . 18935 1 94 . 1 1 14 14 LEU HD11 H 1 0.600 0.020 . 1 . . . A 14 LEU HD11 . 18935 1 95 . 1 1 14 14 LEU HD12 H 1 0.600 0.020 . 1 . . . A 14 LEU HD12 . 18935 1 96 . 1 1 14 14 LEU HD13 H 1 0.600 0.020 . 1 . . . A 14 LEU HD13 . 18935 1 97 . 1 1 14 14 LEU HD21 H 1 0.676 0.020 . 1 . . . A 14 LEU HD21 . 18935 1 98 . 1 1 14 14 LEU HD22 H 1 0.676 0.020 . 1 . . . A 14 LEU HD22 . 18935 1 99 . 1 1 14 14 LEU HD23 H 1 0.676 0.020 . 1 . . . A 14 LEU HD23 . 18935 1 100 . 1 1 14 14 LEU C C 13 179.092 0.3 . 1 . . . A 14 LEU C . 18935 1 101 . 1 1 14 14 LEU CA C 13 56.641 0.3 . 1 . . . A 14 LEU CA . 18935 1 102 . 1 1 14 14 LEU CB C 13 41.020 0.3 . 1 . . . A 14 LEU CB . 18935 1 103 . 1 1 14 14 LEU CD1 C 13 27.110 0.3 . 1 . . . A 14 LEU CD1 . 18935 1 104 . 1 1 14 14 LEU CD2 C 13 23.315 0.3 . 1 . . . A 14 LEU CD2 . 18935 1 105 . 1 1 14 14 LEU N N 15 115.595 0.3 . 1 . . . A 14 LEU N . 18935 1 106 . 1 1 15 15 ARG H H 1 8.074 0.020 . 1 . . . A 15 ARG H . 18935 1 107 . 1 1 15 15 ARG C C 13 176.265 0.3 . 1 . . . A 15 ARG C . 18935 1 108 . 1 1 15 15 ARG CA C 13 59.884 0.3 . 1 . . . A 15 ARG CA . 18935 1 109 . 1 1 15 15 ARG CB C 13 29.072 0.3 . 1 . . . A 15 ARG CB . 18935 1 110 . 1 1 15 15 ARG N N 15 115.006 0.3 . 1 . . . A 15 ARG N . 18935 1 111 . 1 1 16 16 SER H H 1 7.136 0.020 . 1 . . . A 16 SER H . 18935 1 112 . 1 1 16 16 SER C C 13 176.009 0.3 . 1 . . . A 16 SER C . 18935 1 113 . 1 1 16 16 SER CA C 13 57.244 0.3 . 1 . . . A 16 SER CA . 18935 1 114 . 1 1 16 16 SER CB C 13 63.525 0.3 . 1 . . . A 16 SER CB . 18935 1 115 . 1 1 16 16 SER N N 15 107.778 0.3 . 1 . . . A 16 SER N . 18935 1 116 . 1 1 17 17 ARG H H 1 7.913 0.020 . 1 . . . A 17 ARG H . 18935 1 117 . 1 1 17 17 ARG C C 13 174.482 0.3 . 1 . . . A 17 ARG C . 18935 1 118 . 1 1 17 17 ARG CA C 13 56.322 0.3 . 1 . . . A 17 ARG CA . 18935 1 119 . 1 1 17 17 ARG CB C 13 31.830 0.3 . 1 . . . A 17 ARG CB . 18935 1 120 . 1 1 17 17 ARG N N 15 121.532 0.3 . 1 . . . A 17 ARG N . 18935 1 121 . 1 1 18 18 LEU H H 1 8.812 0.020 . 1 . . . A 18 LEU H . 18935 1 122 . 1 1 18 18 LEU HD11 H 1 0.653 0.020 . 1 . . . A 18 LEU HD11 . 18935 1 123 . 1 1 18 18 LEU HD12 H 1 0.653 0.020 . 1 . . . A 18 LEU HD12 . 18935 1 124 . 1 1 18 18 LEU HD13 H 1 0.653 0.020 . 1 . . . A 18 LEU HD13 . 18935 1 125 . 1 1 18 18 LEU HD21 H 1 0.697 0.020 . 1 . . . A 18 LEU HD21 . 18935 1 126 . 1 1 18 18 LEU HD22 H 1 0.697 0.020 . 1 . . . A 18 LEU HD22 . 18935 1 127 . 1 1 18 18 LEU HD23 H 1 0.697 0.020 . 1 . . . A 18 LEU HD23 . 18935 1 128 . 1 1 18 18 LEU C C 13 176.283 0.3 . 1 . . . A 18 LEU C . 18935 1 129 . 1 1 18 18 LEU CA C 13 54.698 0.3 . 1 . . . A 18 LEU CA . 18935 1 130 . 1 1 18 18 LEU CB C 13 43.055 0.3 . 1 . . . A 18 LEU CB . 18935 1 131 . 1 1 18 18 LEU CD1 C 13 25.339 0.3 . 1 . . . A 18 LEU CD1 . 18935 1 132 . 1 1 18 18 LEU CD2 C 13 24.554 0.3 . 1 . . . A 18 LEU CD2 . 18935 1 133 . 1 1 18 18 LEU N N 15 121.305 0.3 . 1 . . . A 18 LEU N . 18935 1 134 . 1 1 19 19 ALA H H 1 8.790 0.020 . 1 . . . A 19 ALA H . 18935 1 135 . 1 1 19 19 ALA C C 13 173.780 0.3 . 1 . . . A 19 ALA C . 18935 1 136 . 1 1 19 19 ALA CA C 13 50.802 0.3 . 1 . . . A 19 ALA CA . 18935 1 137 . 1 1 19 19 ALA CB C 13 22.853 0.3 . 1 . . . A 19 ALA CB . 18935 1 138 . 1 1 19 19 ALA N N 15 125.293 0.3 . 1 . . . A 19 ALA N . 18935 1 139 . 1 1 20 20 PHE H H 1 8.925 0.020 . 1 . . . A 20 PHE H . 18935 1 140 . 1 1 20 20 PHE HB2 H 1 3.058 0.020 . 2 . . . A 20 PHE HB2 . 18935 1 141 . 1 1 20 20 PHE HB3 H 1 3.157 0.020 . 2 . . . A 20 PHE HB3 . 18935 1 142 . 1 1 20 20 PHE HD1 H 1 6.987 0.020 . 1 . . . A 20 PHE HD1 . 18935 1 143 . 1 1 20 20 PHE HD2 H 1 6.987 0.020 . 1 . . . A 20 PHE HD2 . 18935 1 144 . 1 1 20 20 PHE C C 13 172.708 0.3 . 1 . . . A 20 PHE C . 18935 1 145 . 1 1 20 20 PHE CA C 13 55.598 0.3 . 1 . . . A 20 PHE CA . 18935 1 146 . 1 1 20 20 PHE CB C 13 41.725 0.3 . 1 . . . A 20 PHE CB . 18935 1 147 . 1 1 20 20 PHE N N 15 113.117 0.3 . 1 . . . A 20 PHE N . 18935 1 148 . 1 1 21 21 GLU H H 1 7.972 0.020 . 1 . . . A 21 GLU H . 18935 1 149 . 1 1 21 21 GLU C C 13 174.830 0.3 . 1 . . . A 21 GLU C . 18935 1 150 . 1 1 21 21 GLU CA C 13 54.963 0.3 . 1 . . . A 21 GLU CA . 18935 1 151 . 1 1 21 21 GLU CB C 13 30.343 0.3 . 1 . . . A 21 GLU CB . 18935 1 152 . 1 1 21 21 GLU N N 15 121.532 0.3 . 1 . . . A 21 GLU N . 18935 1 153 . 1 1 22 22 TYR H H 1 9.016 0.020 . 1 . . . A 22 TYR H . 18935 1 154 . 1 1 22 22 TYR HB2 H 1 2.618 0.020 . 2 . . . A 22 TYR HB2 . 18935 1 155 . 1 1 22 22 TYR HB3 H 1 2.878 0.020 . 2 . . . A 22 TYR HB3 . 18935 1 156 . 1 1 22 22 TYR HD1 H 1 6.580 0.020 . 1 . . . A 22 TYR HD1 . 18935 1 157 . 1 1 22 22 TYR HD2 H 1 6.580 0.020 . 1 . . . A 22 TYR HD2 . 18935 1 158 . 1 1 22 22 TYR C C 13 174.864 0.3 . 1 . . . A 22 TYR C . 18935 1 159 . 1 1 22 22 TYR CA C 13 55.288 0.3 . 1 . . . A 22 TYR CA . 18935 1 160 . 1 1 22 22 TYR CB C 13 39.859 0.3 . 1 . . . A 22 TYR CB . 18935 1 161 . 1 1 22 22 TYR N N 15 125.339 0.3 . 1 . . . A 22 TYR N . 18935 1 162 . 1 1 23 23 ASN H H 1 9.181 0.020 . 1 . . . A 23 ASN H . 18935 1 163 . 1 1 23 23 ASN C C 13 175.410 0.3 . 1 . . . A 23 ASN C . 18935 1 164 . 1 1 23 23 ASN CA C 13 53.054 0.3 . 1 . . . A 23 ASN CA . 18935 1 165 . 1 1 23 23 ASN CB C 13 36.261 0.3 . 1 . . . A 23 ASN CB . 18935 1 166 . 1 1 23 23 ASN N N 15 127.024 0.3 . 1 . . . A 23 ASN N . 18935 1 167 . 1 1 24 24 GLY H H 1 8.666 0.020 . 1 . . . A 24 GLY H . 18935 1 168 . 1 1 24 24 GLY C C 13 173.626 0.3 . 1 . . . A 24 GLY C . 18935 1 169 . 1 1 24 24 GLY CA C 13 44.935 0.3 . 1 . . . A 24 GLY CA . 18935 1 170 . 1 1 24 24 GLY N N 15 102.755 0.3 . 1 . . . A 24 GLY N . 18935 1 171 . 1 1 25 25 GLN H H 1 7.708 0.020 . 1 . . . A 25 GLN H . 18935 1 172 . 1 1 25 25 GLN C C 13 173.657 0.3 . 1 . . . A 25 GLN C . 18935 1 173 . 1 1 25 25 GLN CA C 13 53.233 0.3 . 1 . . . A 25 GLN CA . 18935 1 174 . 1 1 25 25 GLN CB C 13 30.805 0.3 . 1 . . . A 25 GLN CB . 18935 1 175 . 1 1 25 25 GLN N N 15 118.722 0.3 . 1 . . . A 25 GLN N . 18935 1 176 . 1 1 26 26 LEU H H 1 8.543 0.020 . 1 . . . A 26 LEU H . 18935 1 177 . 1 1 26 26 LEU HD11 H 1 0.718 0.020 . 1 . . . A 26 LEU HD11 . 18935 1 178 . 1 1 26 26 LEU HD12 H 1 0.718 0.020 . 1 . . . A 26 LEU HD12 . 18935 1 179 . 1 1 26 26 LEU HD13 H 1 0.718 0.020 . 1 . . . A 26 LEU HD13 . 18935 1 180 . 1 1 26 26 LEU HD21 H 1 0.719 0.020 . 1 . . . A 26 LEU HD21 . 18935 1 181 . 1 1 26 26 LEU HD22 H 1 0.719 0.020 . 1 . . . A 26 LEU HD22 . 18935 1 182 . 1 1 26 26 LEU HD23 H 1 0.719 0.020 . 1 . . . A 26 LEU HD23 . 18935 1 183 . 1 1 26 26 LEU C C 13 175.842 0.3 . 1 . . . A 26 LEU C . 18935 1 184 . 1 1 26 26 LEU CA C 13 53.986 0.3 . 1 . . . A 26 LEU CA . 18935 1 185 . 1 1 26 26 LEU CB C 13 40.807 0.3 . 1 . . . A 26 LEU CB . 18935 1 186 . 1 1 26 26 LEU CD1 C 13 24.199 0.3 . 1 . . . A 26 LEU CD1 . 18935 1 187 . 1 1 26 26 LEU CD2 C 13 24.550 0.3 . 1 . . . A 26 LEU CD2 . 18935 1 188 . 1 1 26 26 LEU N N 15 123.526 0.3 . 1 . . . A 26 LEU N . 18935 1 189 . 1 1 27 27 ILE H H 1 8.989 0.020 . 1 . . . A 27 ILE H . 18935 1 190 . 1 1 27 27 ILE HD11 H 1 0.622 0.020 . 1 . . . A 27 ILE HD11 . 18935 1 191 . 1 1 27 27 ILE HD12 H 1 0.622 0.020 . 1 . . . A 27 ILE HD12 . 18935 1 192 . 1 1 27 27 ILE HD13 H 1 0.622 0.020 . 1 . . . A 27 ILE HD13 . 18935 1 193 . 1 1 27 27 ILE C C 13 175.085 0.3 . 1 . . . A 27 ILE C . 18935 1 194 . 1 1 27 27 ILE CA C 13 58.973 0.3 . 1 . . . A 27 ILE CA . 18935 1 195 . 1 1 27 27 ILE CB C 13 35.552 0.3 . 1 . . . A 27 ILE CB . 18935 1 196 . 1 1 27 27 ILE CD1 C 13 11.492 0.3 . 1 . . . A 27 ILE CD1 . 18935 1 197 . 1 1 27 27 ILE N N 15 129.462 0.3 . 1 . . . A 27 ILE N . 18935 1 198 . 1 1 28 28 LYS H H 1 8.311 0.020 . 1 . . . A 28 LYS H . 18935 1 199 . 1 1 28 28 LYS C C 13 176.725 0.3 . 1 . . . A 28 LYS C . 18935 1 200 . 1 1 28 28 LYS CA C 13 56.810 0.3 . 1 . . . A 28 LYS CA . 18935 1 201 . 1 1 28 28 LYS CB C 13 31.817 0.3 . 1 . . . A 28 LYS CB . 18935 1 202 . 1 1 28 28 LYS N N 15 125.157 0.3 . 1 . . . A 28 LYS N . 18935 1 203 . 1 1 29 29 ILE H H 1 8.209 0.020 . 1 . . . A 29 ILE H . 18935 1 204 . 1 1 29 29 ILE HD11 H 1 0.752 0.020 . 1 . . . A 29 ILE HD11 . 18935 1 205 . 1 1 29 29 ILE HD12 H 1 0.752 0.020 . 1 . . . A 29 ILE HD12 . 18935 1 206 . 1 1 29 29 ILE HD13 H 1 0.752 0.020 . 1 . . . A 29 ILE HD13 . 18935 1 207 . 1 1 29 29 ILE C C 13 175.685 0.3 . 1 . . . A 29 ILE C . 18935 1 208 . 1 1 29 29 ILE CA C 13 60.405 0.3 . 1 . . . A 29 ILE CA . 18935 1 209 . 1 1 29 29 ILE CB C 13 37.031 0.3 . 1 . . . A 29 ILE CB . 18935 1 210 . 1 1 29 29 ILE CD1 C 13 13.389 0.3 . 1 . . . A 29 ILE CD1 . 18935 1 211 . 1 1 29 29 ILE N N 15 125.565 0.3 . 1 . . . A 29 ILE N . 18935 1 212 . 1 1 30 30 LEU H H 1 9.027 0.020 . 1 . . . A 30 LEU H . 18935 1 213 . 1 1 30 30 LEU HD11 H 1 0.973 0.020 . 1 . . . A 30 LEU HD11 . 18935 1 214 . 1 1 30 30 LEU HD12 H 1 0.973 0.020 . 1 . . . A 30 LEU HD12 . 18935 1 215 . 1 1 30 30 LEU HD13 H 1 0.973 0.020 . 1 . . . A 30 LEU HD13 . 18935 1 216 . 1 1 30 30 LEU HD21 H 1 0.903 0.020 . 1 . . . A 30 LEU HD21 . 18935 1 217 . 1 1 30 30 LEU HD22 H 1 0.903 0.020 . 1 . . . A 30 LEU HD22 . 18935 1 218 . 1 1 30 30 LEU HD23 H 1 0.903 0.020 . 1 . . . A 30 LEU HD23 . 18935 1 219 . 1 1 30 30 LEU C C 13 178.794 0.3 . 1 . . . A 30 LEU C . 18935 1 220 . 1 1 30 30 LEU CA C 13 54.443 0.3 . 1 . . . A 30 LEU CA . 18935 1 221 . 1 1 30 30 LEU CB C 13 40.836 0.3 . 1 . . . A 30 LEU CB . 18935 1 222 . 1 1 30 30 LEU CD1 C 13 25.349 0.3 . 1 . . . A 30 LEU CD1 . 18935 1 223 . 1 1 30 30 LEU CD2 C 13 22.182 0.3 . 1 . . . A 30 LEU CD2 . 18935 1 224 . 1 1 30 30 LEU N N 15 127.831 0.3 . 1 . . . A 30 LEU N . 18935 1 225 . 1 1 31 31 SER H H 1 8.887 0.020 . 1 . . . A 31 SER H . 18935 1 226 . 1 1 31 31 SER C C 13 177.464 0.3 . 1 . . . A 31 SER C . 18935 1 227 . 1 1 31 31 SER CA C 13 61.180 0.3 . 1 . . . A 31 SER CA . 18935 1 228 . 1 1 31 31 SER CB C 13 62.105 0.3 . 1 . . . A 31 SER CB . 18935 1 229 . 1 1 31 31 SER N N 15 116.864 0.3 . 1 . . . A 31 SER N . 18935 1 230 . 1 1 32 32 LYS H H 1 8.290 0.020 . 1 . . . A 32 LYS H . 18935 1 231 . 1 1 32 32 LYS C C 13 176.243 0.3 . 1 . . . A 32 LYS C . 18935 1 232 . 1 1 32 32 LYS CA C 13 57.292 0.3 . 1 . . . A 32 LYS CA . 18935 1 233 . 1 1 32 32 LYS CB C 13 30.266 0.3 . 1 . . . A 32 LYS CB . 18935 1 234 . 1 1 32 32 LYS N N 15 114.825 0.3 . 1 . . . A 32 LYS N . 18935 1 235 . 1 1 33 33 ASN H H 1 8.051 0.020 . 1 . . . A 33 ASN H . 18935 1 236 . 1 1 33 33 ASN C C 13 172.253 0.3 . 1 . . . A 33 ASN C . 18935 1 237 . 1 1 33 33 ASN CA C 13 52.091 0.3 . 1 . . . A 33 ASN CA . 18935 1 238 . 1 1 33 33 ASN CB C 13 38.339 0.3 . 1 . . . A 33 ASN CB . 18935 1 239 . 1 1 33 33 ASN N N 15 117.564 0.3 . 1 . . . A 33 ASN N . 18935 1 240 . 1 1 34 34 ILE H H 1 7.670 0.020 . 1 . . . A 34 ILE H . 18935 1 241 . 1 1 34 34 ILE HD11 H 1 0.814 0.020 . 1 . . . A 34 ILE HD11 . 18935 1 242 . 1 1 34 34 ILE HD12 H 1 0.814 0.020 . 1 . . . A 34 ILE HD12 . 18935 1 243 . 1 1 34 34 ILE HD13 H 1 0.814 0.020 . 1 . . . A 34 ILE HD13 . 18935 1 244 . 1 1 34 34 ILE C C 13 175.343 0.3 . 1 . . . A 34 ILE C . 18935 1 245 . 1 1 34 34 ILE CA C 13 60.553 0.3 . 1 . . . A 34 ILE CA . 18935 1 246 . 1 1 34 34 ILE CB C 13 38.867 0.3 . 1 . . . A 34 ILE CB . 18935 1 247 . 1 1 34 34 ILE CD1 C 13 15.632 0.3 . 1 . . . A 34 ILE CD1 . 18935 1 248 . 1 1 34 34 ILE N N 15 118.949 0.3 . 1 . . . A 34 ILE N . 18935 1 249 . 1 1 35 35 VAL H H 1 9.698 0.020 . 1 . . . A 35 VAL H . 18935 1 250 . 1 1 35 35 VAL HG11 H 1 0.879 0.020 . 1 . . . A 35 VAL HG11 . 18935 1 251 . 1 1 35 35 VAL HG12 H 1 0.879 0.020 . 1 . . . A 35 VAL HG12 . 18935 1 252 . 1 1 35 35 VAL HG13 H 1 0.879 0.020 . 1 . . . A 35 VAL HG13 . 18935 1 253 . 1 1 35 35 VAL HG21 H 1 0.812 0.020 . 1 . . . A 35 VAL HG21 . 18935 1 254 . 1 1 35 35 VAL HG22 H 1 0.812 0.020 . 1 . . . A 35 VAL HG22 . 18935 1 255 . 1 1 35 35 VAL HG23 H 1 0.812 0.020 . 1 . . . A 35 VAL HG23 . 18935 1 256 . 1 1 35 35 VAL C C 13 175.543 0.3 . 1 . . . A 35 VAL C . 18935 1 257 . 1 1 35 35 VAL CA C 13 60.014 0.3 . 1 . . . A 35 VAL CA . 18935 1 258 . 1 1 35 35 VAL CB C 13 34.231 0.3 . 1 . . . A 35 VAL CB . 18935 1 259 . 1 1 35 35 VAL CG1 C 13 20.352 0.3 . 1 . . . A 35 VAL CG1 . 18935 1 260 . 1 1 35 35 VAL CG2 C 13 19.927 0.3 . 1 . . . A 35 VAL CG2 . 18935 1 261 . 1 1 35 35 VAL N N 15 128.355 0.3 . 1 . . . A 35 VAL N . 18935 1 262 . 1 1 36 36 ALA H H 1 8.917 0.020 . 1 . . . A 36 ALA H . 18935 1 263 . 1 1 36 36 ALA C C 13 177.015 0.3 . 1 . . . A 36 ALA C . 18935 1 264 . 1 1 36 36 ALA CA C 13 52.396 0.3 . 1 . . . A 36 ALA CA . 18935 1 265 . 1 1 36 36 ALA CB C 13 17.622 0.3 . 1 . . . A 36 ALA CB . 18935 1 266 . 1 1 36 36 ALA N N 15 129.553 0.3 . 1 . . . A 36 ALA N . 18935 1 267 . 1 1 37 37 VAL H H 1 8.214 0.020 . 1 . . . A 37 VAL H . 18935 1 268 . 1 1 37 37 VAL HG11 H 1 0.626 0.020 . 1 . . . A 37 VAL HG11 . 18935 1 269 . 1 1 37 37 VAL HG12 H 1 0.626 0.020 . 1 . . . A 37 VAL HG12 . 18935 1 270 . 1 1 37 37 VAL HG13 H 1 0.626 0.020 . 1 . . . A 37 VAL HG13 . 18935 1 271 . 1 1 37 37 VAL HG21 H 1 0.869 0.020 . 1 . . . A 37 VAL HG21 . 18935 1 272 . 1 1 37 37 VAL HG22 H 1 0.869 0.020 . 1 . . . A 37 VAL HG22 . 18935 1 273 . 1 1 37 37 VAL HG23 H 1 0.869 0.020 . 1 . . . A 37 VAL HG23 . 18935 1 274 . 1 1 37 37 VAL C C 13 174.649 0.3 . 1 . . . A 37 VAL C . 18935 1 275 . 1 1 37 37 VAL CA C 13 59.321 0.3 . 1 . . . A 37 VAL CA . 18935 1 276 . 1 1 37 37 VAL CB C 13 32.386 0.3 . 1 . . . A 37 VAL CB . 18935 1 277 . 1 1 37 37 VAL CG1 C 13 18.106 0.3 . 1 . . . A 37 VAL CG1 . 18935 1 278 . 1 1 37 37 VAL CG2 C 13 22.794 0.3 . 1 . . . A 37 VAL CG2 . 18935 1 279 . 1 1 37 37 VAL N N 15 115.006 0.3 . 1 . . . A 37 VAL N . 18935 1 280 . 1 1 38 38 GLY H H 1 8.677 0.020 . 1 . . . A 38 GLY H . 18935 1 281 . 1 1 38 38 GLY C C 13 174.152 0.3 . 1 . . . A 38 GLY C . 18935 1 282 . 1 1 38 38 GLY CA C 13 45.497 0.3 . 1 . . . A 38 GLY CA . 18935 1 283 . 1 1 38 38 GLY N N 15 109.387 0.3 . 1 . . . A 38 GLY N . 18935 1 284 . 1 1 39 39 SER H H 1 9.705 0.020 . 1 . . . A 39 SER H . 18935 1 285 . 1 1 39 39 SER C C 13 175.129 0.3 . 1 . . . A 39 SER C . 18935 1 286 . 1 1 39 39 SER CA C 13 60.036 0.3 . 1 . . . A 39 SER CA . 18935 1 287 . 1 1 39 39 SER CB C 13 61.522 0.3 . 1 . . . A 39 SER CB . 18935 1 288 . 1 1 39 39 SER N N 15 116.776 0.3 . 1 . . . A 39 SER N . 18935 1 289 . 1 1 40 40 LEU H H 1 7.311 0.020 . 1 . . . A 40 LEU H . 18935 1 290 . 1 1 40 40 LEU HD11 H 1 0.814 0.020 . 1 . . . A 40 LEU HD11 . 18935 1 291 . 1 1 40 40 LEU HD12 H 1 0.814 0.020 . 1 . . . A 40 LEU HD12 . 18935 1 292 . 1 1 40 40 LEU HD13 H 1 0.814 0.020 . 1 . . . A 40 LEU HD13 . 18935 1 293 . 1 1 40 40 LEU HD21 H 1 0.795 0.020 . 1 . . . A 40 LEU HD21 . 18935 1 294 . 1 1 40 40 LEU HD22 H 1 0.795 0.020 . 1 . . . A 40 LEU HD22 . 18935 1 295 . 1 1 40 40 LEU HD23 H 1 0.795 0.020 . 1 . . . A 40 LEU HD23 . 18935 1 296 . 1 1 40 40 LEU C C 13 180.558 0.3 . 1 . . . A 40 LEU C . 18935 1 297 . 1 1 40 40 LEU CA C 13 58.373 0.3 . 1 . . . A 40 LEU CA . 18935 1 298 . 1 1 40 40 LEU CB C 13 41.877 0.3 . 1 . . . A 40 LEU CB . 18935 1 299 . 1 1 40 40 LEU CD1 C 13 26.216 0.3 . 1 . . . A 40 LEU CD1 . 18935 1 300 . 1 1 40 40 LEU CD2 C 13 26.388 0.3 . 1 . . . A 40 LEU CD2 . 18935 1 301 . 1 1 40 40 LEU N N 15 113.696 0.3 . 1 . . . A 40 LEU N . 18935 1 302 . 1 1 41 41 ARG H H 1 6.999 0.020 . 1 . . . A 41 ARG H . 18935 1 303 . 1 1 41 41 ARG C C 13 176.964 0.3 . 1 . . . A 41 ARG C . 18935 1 304 . 1 1 41 41 ARG CA C 13 58.451 0.3 . 1 . . . A 41 ARG CA . 18935 1 305 . 1 1 41 41 ARG CB C 13 28.205 0.3 . 1 . . . A 41 ARG CB . 18935 1 306 . 1 1 41 41 ARG N N 15 121.162 0.3 . 1 . . . A 41 ARG N . 18935 1 307 . 1 1 42 42 ARG H H 1 7.041 0.020 . 1 . . . A 42 ARG H . 18935 1 308 . 1 1 42 42 ARG C C 13 172.564 0.3 . 1 . . . A 42 ARG C . 18935 1 309 . 1 1 42 42 ARG CA C 13 56.380 0.3 . 1 . . . A 42 ARG CA . 18935 1 310 . 1 1 42 42 ARG CB C 13 28.349 0.3 . 1 . . . A 42 ARG CB . 18935 1 311 . 1 1 42 42 ARG N N 15 111.109 0.3 . 1 . . . A 42 ARG N . 18935 1 312 . 1 1 43 43 GLU H H 1 7.757 0.020 . 1 . . . A 43 GLU H . 18935 1 313 . 1 1 43 43 GLU C C 13 176.202 0.3 . 1 . . . A 43 GLU C . 18935 1 314 . 1 1 43 43 GLU CA C 13 56.454 0.3 . 1 . . . A 43 GLU CA . 18935 1 315 . 1 1 43 43 GLU CB C 13 25.301 0.3 . 1 . . . A 43 GLU CB . 18935 1 316 . 1 1 43 43 GLU N N 15 111.924 0.3 . 1 . . . A 43 GLU N . 18935 1 317 . 1 1 44 44 GLU H H 1 7.461 0.020 . 1 . . . A 44 GLU H . 18935 1 318 . 1 1 44 44 GLU C C 13 175.197 0.3 . 1 . . . A 44 GLU C . 18935 1 319 . 1 1 44 44 GLU CA C 13 56.128 0.3 . 1 . . . A 44 GLU CA . 18935 1 320 . 1 1 44 44 GLU CB C 13 28.559 0.3 . 1 . . . A 44 GLU CB . 18935 1 321 . 1 1 44 44 GLU N N 15 117.861 0.3 . 1 . . . A 44 GLU N . 18935 1 322 . 1 1 45 45 LYS H H 1 8.123 0.020 . 1 . . . A 45 LYS H . 18935 1 323 . 1 1 45 45 LYS C C 13 177.733 0.3 . 1 . . . A 45 LYS C . 18935 1 324 . 1 1 45 45 LYS CA C 13 59.055 0.3 . 1 . . . A 45 LYS CA . 18935 1 325 . 1 1 45 45 LYS CB C 13 32.027 0.3 . 1 . . . A 45 LYS CB . 18935 1 326 . 1 1 45 45 LYS N N 15 115.051 0.3 . 1 . . . A 45 LYS N . 18935 1 327 . 1 1 46 46 MET H H 1 7.767 0.020 . 1 . . . A 46 MET H . 18935 1 328 . 1 1 46 46 MET C C 13 174.067 0.3 . 1 . . . A 46 MET C . 18935 1 329 . 1 1 46 46 MET CA C 13 52.477 0.3 . 1 . . . A 46 MET CA . 18935 1 330 . 1 1 46 46 MET CB C 13 33.974 0.3 . 1 . . . A 46 MET CB . 18935 1 331 . 1 1 46 46 MET N N 15 114.009 0.3 . 1 . . . A 46 MET N . 18935 1 332 . 1 1 47 47 LEU H H 1 9.481 0.020 . 1 . . . A 47 LEU H . 18935 1 333 . 1 1 47 47 LEU HD11 H 1 0.811 0.020 . 1 . . . A 47 LEU HD11 . 18935 1 334 . 1 1 47 47 LEU HD12 H 1 0.811 0.020 . 1 . . . A 47 LEU HD12 . 18935 1 335 . 1 1 47 47 LEU HD13 H 1 0.811 0.020 . 1 . . . A 47 LEU HD13 . 18935 1 336 . 1 1 47 47 LEU HD21 H 1 0.709 0.020 . 1 . . . A 47 LEU HD21 . 18935 1 337 . 1 1 47 47 LEU HD22 H 1 0.709 0.020 . 1 . . . A 47 LEU HD22 . 18935 1 338 . 1 1 47 47 LEU HD23 H 1 0.709 0.020 . 1 . . . A 47 LEU HD23 . 18935 1 339 . 1 1 47 47 LEU C C 13 177.669 0.3 . 1 . . . A 47 LEU C . 18935 1 340 . 1 1 47 47 LEU CA C 13 52.201 0.3 . 1 . . . A 47 LEU CA . 18935 1 341 . 1 1 47 47 LEU CB C 13 42.908 0.3 . 1 . . . A 47 LEU CB . 18935 1 342 . 1 1 47 47 LEU CD2 C 13 22.893 0.3 . 1 . . . A 47 LEU CD2 . 18935 1 343 . 1 1 47 47 LEU N N 15 120.263 0.3 . 1 . . . A 47 LEU N . 18935 1 344 . 1 1 48 48 ASN H H 1 9.388 0.020 . 1 . . . A 48 ASN H . 18935 1 345 . 1 1 48 48 ASN C C 13 174.715 0.3 . 1 . . . A 48 ASN C . 18935 1 346 . 1 1 48 48 ASN CA C 13 55.501 0.3 . 1 . . . A 48 ASN CA . 18935 1 347 . 1 1 48 48 ASN CB C 13 38.828 0.3 . 1 . . . A 48 ASN CB . 18935 1 348 . 1 1 48 48 ASN N N 15 118.632 0.3 . 1 . . . A 48 ASN N . 18935 1 349 . 1 1 49 49 ASP H H 1 7.670 0.020 . 1 . . . A 49 ASP H . 18935 1 350 . 1 1 49 49 ASP C C 13 174.111 0.3 . 1 . . . A 49 ASP C . 18935 1 351 . 1 1 49 49 ASP CA C 13 51.201 0.3 . 1 . . . A 49 ASP CA . 18935 1 352 . 1 1 49 49 ASP CB C 13 40.077 0.3 . 1 . . . A 49 ASP CB . 18935 1 353 . 1 1 49 49 ASP N N 15 115.867 0.3 . 1 . . . A 49 ASP N . 18935 1 354 . 1 1 50 50 VAL H H 1 8.339 0.020 . 1 . . . A 50 VAL H . 18935 1 355 . 1 1 50 50 VAL HG11 H 1 0.581 0.020 . 1 . . . A 50 VAL HG11 . 18935 1 356 . 1 1 50 50 VAL HG12 H 1 0.581 0.020 . 1 . . . A 50 VAL HG12 . 18935 1 357 . 1 1 50 50 VAL HG13 H 1 0.581 0.020 . 1 . . . A 50 VAL HG13 . 18935 1 358 . 1 1 50 50 VAL HG21 H 1 0.698 0.020 . 1 . . . A 50 VAL HG21 . 18935 1 359 . 1 1 50 50 VAL HG22 H 1 0.698 0.020 . 1 . . . A 50 VAL HG22 . 18935 1 360 . 1 1 50 50 VAL HG23 H 1 0.698 0.020 . 1 . . . A 50 VAL HG23 . 18935 1 361 . 1 1 50 50 VAL C C 13 172.333 0.3 . 1 . . . A 50 VAL C . 18935 1 362 . 1 1 50 50 VAL CA C 13 61.915 0.3 . 1 . . . A 50 VAL CA . 18935 1 363 . 1 1 50 50 VAL CB C 13 32.965 0.3 . 1 . . . A 50 VAL CB . 18935 1 364 . 1 1 50 50 VAL CG1 C 13 21.319 0.3 . 1 . . . A 50 VAL CG1 . 18935 1 365 . 1 1 50 50 VAL CG2 C 13 21.403 0.3 . 1 . . . A 50 VAL CG2 . 18935 1 366 . 1 1 50 50 VAL N N 15 119.185 0.3 . 1 . . . A 50 VAL N . 18935 1 367 . 1 1 51 51 ASP H H 1 8.984 0.020 . 1 . . . A 51 ASP H . 18935 1 368 . 1 1 51 51 ASP C C 13 173.725 0.3 . 1 . . . A 51 ASP C . 18935 1 369 . 1 1 51 51 ASP CA C 13 53.028 0.3 . 1 . . . A 51 ASP CA . 18935 1 370 . 1 1 51 51 ASP CB C 13 43.829 0.3 . 1 . . . A 51 ASP CB . 18935 1 371 . 1 1 51 51 ASP N N 15 124.704 0.3 . 1 . . . A 51 ASP N . 18935 1 372 . 1 1 52 52 LEU H H 1 9.081 0.020 . 1 . . . A 52 LEU H . 18935 1 373 . 1 1 52 52 LEU HD11 H 1 0.329 0.020 . 1 . . . A 52 LEU HD11 . 18935 1 374 . 1 1 52 52 LEU HD12 H 1 0.329 0.020 . 1 . . . A 52 LEU HD12 . 18935 1 375 . 1 1 52 52 LEU HD13 H 1 0.329 0.020 . 1 . . . A 52 LEU HD13 . 18935 1 376 . 1 1 52 52 LEU HD21 H 1 0.756 0.020 . 1 . . . A 52 LEU HD21 . 18935 1 377 . 1 1 52 52 LEU HD22 H 1 0.756 0.020 . 1 . . . A 52 LEU HD22 . 18935 1 378 . 1 1 52 52 LEU HD23 H 1 0.756 0.020 . 1 . . . A 52 LEU HD23 . 18935 1 379 . 1 1 52 52 LEU C C 13 173.045 0.3 . 1 . . . A 52 LEU C . 18935 1 380 . 1 1 52 52 LEU CA C 13 52.871 0.3 . 1 . . . A 52 LEU CA . 18935 1 381 . 1 1 52 52 LEU CB C 13 44.253 0.3 . 1 . . . A 52 LEU CB . 18935 1 382 . 1 1 52 52 LEU CD1 C 13 25.685 0.3 . 1 . . . A 52 LEU CD1 . 18935 1 383 . 1 1 52 52 LEU CD2 C 13 25.977 0.3 . 1 . . . A 52 LEU CD2 . 18935 1 384 . 1 1 52 52 LEU N N 15 120.943 0.3 . 1 . . . A 52 LEU N . 18935 1 385 . 1 1 53 53 LEU H H 1 9.146 0.020 . 1 . . . A 53 LEU H . 18935 1 386 . 1 1 53 53 LEU HD11 H 1 0.750 0.020 . 1 . . . A 53 LEU HD11 . 18935 1 387 . 1 1 53 53 LEU HD12 H 1 0.750 0.020 . 1 . . . A 53 LEU HD12 . 18935 1 388 . 1 1 53 53 LEU HD13 H 1 0.750 0.020 . 1 . . . A 53 LEU HD13 . 18935 1 389 . 1 1 53 53 LEU HD21 H 1 0.729 0.020 . 1 . . . A 53 LEU HD21 . 18935 1 390 . 1 1 53 53 LEU HD22 H 1 0.729 0.020 . 1 . . . A 53 LEU HD22 . 18935 1 391 . 1 1 53 53 LEU HD23 H 1 0.729 0.020 . 1 . . . A 53 LEU HD23 . 18935 1 392 . 1 1 53 53 LEU C C 13 173.750 0.3 . 1 . . . A 53 LEU C . 18935 1 393 . 1 1 53 53 LEU CA C 13 52.333 0.3 . 1 . . . A 53 LEU CA . 18935 1 394 . 1 1 53 53 LEU CB C 13 45.008 0.3 . 1 . . . A 53 LEU CB . 18935 1 395 . 1 1 53 53 LEU CD1 C 13 23.461 0.3 . 1 . . . A 53 LEU CD1 . 18935 1 396 . 1 1 53 53 LEU CD2 C 13 27.428 0.3 . 1 . . . A 53 LEU CD2 . 18935 1 397 . 1 1 53 53 LEU N N 15 123.027 0.3 . 1 . . . A 53 LEU N . 18935 1 398 . 1 1 54 54 ILE H H 1 9.440 0.020 . 1 . . . A 54 ILE H . 18935 1 399 . 1 1 54 54 ILE HD11 H 1 0.605 0.020 . 1 . . . A 54 ILE HD11 . 18935 1 400 . 1 1 54 54 ILE HD12 H 1 0.605 0.020 . 1 . . . A 54 ILE HD12 . 18935 1 401 . 1 1 54 54 ILE HD13 H 1 0.605 0.020 . 1 . . . A 54 ILE HD13 . 18935 1 402 . 1 1 54 54 ILE C C 13 175.132 0.3 . 1 . . . A 54 ILE C . 18935 1 403 . 1 1 54 54 ILE CA C 13 58.598 0.3 . 1 . . . A 54 ILE CA . 18935 1 404 . 1 1 54 54 ILE CB C 13 38.561 0.3 . 1 . . . A 54 ILE CB . 18935 1 405 . 1 1 54 54 ILE CD1 C 13 13.531 0.3 . 1 . . . A 54 ILE CD1 . 18935 1 406 . 1 1 54 54 ILE N N 15 126.562 0.3 . 1 . . . A 54 ILE N . 18935 1 407 . 1 1 55 55 ILE H H 1 9.381 0.020 . 1 . . . A 55 ILE H . 18935 1 408 . 1 1 55 55 ILE HD11 H 1 0.633 0.020 . 1 . . . A 55 ILE HD11 . 18935 1 409 . 1 1 55 55 ILE HD12 H 1 0.633 0.020 . 1 . . . A 55 ILE HD12 . 18935 1 410 . 1 1 55 55 ILE HD13 H 1 0.633 0.020 . 1 . . . A 55 ILE HD13 . 18935 1 411 . 1 1 55 55 ILE C C 13 175.655 0.3 . 1 . . . A 55 ILE C . 18935 1 412 . 1 1 55 55 ILE CA C 13 57.561 0.3 . 1 . . . A 55 ILE CA . 18935 1 413 . 1 1 55 55 ILE CB C 13 34.306 0.3 . 1 . . . A 55 ILE CB . 18935 1 414 . 1 1 55 55 ILE CD1 C 13 10.372 0.3 . 1 . . . A 55 ILE CD1 . 18935 1 415 . 1 1 55 55 ILE N N 15 126.879 0.3 . 1 . . . A 55 ILE N . 18935 1 416 . 1 1 56 56 VAL H H 1 9.227 0.020 . 1 . . . A 56 VAL H . 18935 1 417 . 1 1 56 56 VAL HG11 H 1 0.832 0.020 . 1 . . . A 56 VAL HG11 . 18935 1 418 . 1 1 56 56 VAL HG12 H 1 0.832 0.020 . 1 . . . A 56 VAL HG12 . 18935 1 419 . 1 1 56 56 VAL HG13 H 1 0.832 0.020 . 1 . . . A 56 VAL HG13 . 18935 1 420 . 1 1 56 56 VAL HG21 H 1 0.822 0.020 . 1 . . . A 56 VAL HG21 . 18935 1 421 . 1 1 56 56 VAL HG22 H 1 0.822 0.020 . 1 . . . A 56 VAL HG22 . 18935 1 422 . 1 1 56 56 VAL HG23 H 1 0.822 0.020 . 1 . . . A 56 VAL HG23 . 18935 1 423 . 1 1 56 56 VAL C C 13 176.389 0.3 . 1 . . . A 56 VAL C . 18935 1 424 . 1 1 56 56 VAL CA C 13 58.630 0.3 . 1 . . . A 56 VAL CA . 18935 1 425 . 1 1 56 56 VAL CB C 13 32.784 0.3 . 1 . . . A 56 VAL CB . 18935 1 426 . 1 1 56 56 VAL CG1 C 13 21.650 0.3 . 1 . . . A 56 VAL CG1 . 18935 1 427 . 1 1 56 56 VAL CG2 C 13 21.773 0.3 . 1 . . . A 56 VAL CG2 . 18935 1 428 . 1 1 56 56 VAL N N 15 128.936 0.3 . 1 . . . A 56 VAL N . 18935 1 429 . 1 1 58 58 GLU H H 1 6.685 0.020 . 1 . . . A 58 GLU H . 18935 1 430 . 1 1 58 58 GLU C C 13 175.946 0.3 . 1 . . . A 58 GLU C . 18935 1 431 . 1 1 58 58 GLU CA C 13 54.300 0.3 . 1 . . . A 58 GLU CA . 18935 1 432 . 1 1 58 58 GLU CB C 13 32.097 0.3 . 1 . . . A 58 GLU CB . 18935 1 433 . 1 1 58 58 GLU N N 15 112.423 0.3 . 1 . . . A 58 GLU N . 18935 1 434 . 1 1 59 59 LYS H H 1 9.108 0.020 . 1 . . . A 59 LYS H . 18935 1 435 . 1 1 59 59 LYS C C 13 179.248 0.3 . 1 . . . A 59 LYS C . 18935 1 436 . 1 1 59 59 LYS CA C 13 59.774 0.3 . 1 . . . A 59 LYS CA . 18935 1 437 . 1 1 59 59 LYS CB C 13 31.077 0.3 . 1 . . . A 59 LYS CB . 18935 1 438 . 1 1 59 59 LYS N N 15 125.293 0.3 . 1 . . . A 59 LYS N . 18935 1 439 . 1 1 60 60 LYS H H 1 9.102 0.020 . 1 . . . A 60 LYS H . 18935 1 440 . 1 1 60 60 LYS C C 13 177.198 0.3 . 1 . . . A 60 LYS C . 18935 1 441 . 1 1 60 60 LYS CA C 13 58.213 0.3 . 1 . . . A 60 LYS CA . 18935 1 442 . 1 1 60 60 LYS CB C 13 30.583 0.3 . 1 . . . A 60 LYS CB . 18935 1 443 . 1 1 60 60 LYS N N 15 117.408 0.3 . 1 . . . A 60 LYS N . 18935 1 444 . 1 1 61 61 LEU H H 1 7.455 0.020 . 1 . . . A 61 LEU H . 18935 1 445 . 1 1 61 61 LEU HD11 H 1 0.934 0.020 . 1 . . . A 61 LEU HD11 . 18935 1 446 . 1 1 61 61 LEU HD12 H 1 0.934 0.020 . 1 . . . A 61 LEU HD12 . 18935 1 447 . 1 1 61 61 LEU HD13 H 1 0.934 0.020 . 1 . . . A 61 LEU HD13 . 18935 1 448 . 1 1 61 61 LEU HD21 H 1 0.476 0.020 . 1 . . . A 61 LEU HD21 . 18935 1 449 . 1 1 61 61 LEU HD22 H 1 0.476 0.020 . 1 . . . A 61 LEU HD22 . 18935 1 450 . 1 1 61 61 LEU HD23 H 1 0.476 0.020 . 1 . . . A 61 LEU HD23 . 18935 1 451 . 1 1 61 61 LEU C C 13 178.790 0.3 . 1 . . . A 61 LEU C . 18935 1 452 . 1 1 61 61 LEU CA C 13 55.024 0.3 . 1 . . . A 61 LEU CA . 18935 1 453 . 1 1 61 61 LEU CB C 13 40.864 0.3 . 1 . . . A 61 LEU CB . 18935 1 454 . 1 1 61 61 LEU CD1 C 13 25.610 0.3 . 1 . . . A 61 LEU CD1 . 18935 1 455 . 1 1 61 61 LEU CD2 C 13 21.704 0.3 . 1 . . . A 61 LEU CD2 . 18935 1 456 . 1 1 61 61 LEU N N 15 114.779 0.3 . 1 . . . A 61 LEU N . 18935 1 457 . 1 1 62 62 LEU H H 1 7.714 0.020 . 1 . . . A 62 LEU H . 18935 1 458 . 1 1 62 62 LEU HD11 H 1 0.880 0.020 . 1 . . . A 62 LEU HD11 . 18935 1 459 . 1 1 62 62 LEU HD12 H 1 0.880 0.020 . 1 . . . A 62 LEU HD12 . 18935 1 460 . 1 1 62 62 LEU HD13 H 1 0.880 0.020 . 1 . . . A 62 LEU HD13 . 18935 1 461 . 1 1 62 62 LEU HD21 H 1 0.812 0.020 . 1 . . . A 62 LEU HD21 . 18935 1 462 . 1 1 62 62 LEU HD22 H 1 0.812 0.020 . 1 . . . A 62 LEU HD22 . 18935 1 463 . 1 1 62 62 LEU HD23 H 1 0.812 0.020 . 1 . . . A 62 LEU HD23 . 18935 1 464 . 1 1 62 62 LEU C C 13 177.762 0.3 . 1 . . . A 62 LEU C . 18935 1 465 . 1 1 62 62 LEU CA C 13 58.198 0.3 . 1 . . . A 62 LEU CA . 18935 1 466 . 1 1 62 62 LEU CB C 13 40.731 0.3 . 1 . . . A 62 LEU CB . 18935 1 467 . 1 1 62 62 LEU CD1 C 13 23.848 0.3 . 1 . . . A 62 LEU CD1 . 18935 1 468 . 1 1 62 62 LEU CD2 C 13 23.453 0.3 . 1 . . . A 62 LEU CD2 . 18935 1 469 . 1 1 62 62 LEU N N 15 119.629 0.3 . 1 . . . A 62 LEU N . 18935 1 470 . 1 1 63 63 LYS H H 1 7.751 0.020 . 1 . . . A 63 LYS H . 18935 1 471 . 1 1 63 63 LYS C C 13 175.386 0.3 . 1 . . . A 63 LYS C . 18935 1 472 . 1 1 63 63 LYS CA C 13 57.356 0.3 . 1 . . . A 63 LYS CA . 18935 1 473 . 1 1 63 63 LYS CB C 13 30.963 0.3 . 1 . . . A 63 LYS CB . 18935 1 474 . 1 1 63 63 LYS N N 15 112.921 0.3 . 1 . . . A 63 LYS N . 18935 1 475 . 1 1 64 64 HIS H H 1 7.697 0.020 . 1 . . . A 64 HIS H . 18935 1 476 . 1 1 64 64 HIS HB2 H 1 2.779 0.020 . 1 . . . A 64 HIS HB2 . 18935 1 477 . 1 1 64 64 HIS HB3 H 1 2.779 0.020 . 1 . . . A 64 HIS HB3 . 18935 1 478 . 1 1 64 64 HIS C C 13 176.081 0.3 . 1 . . . A 64 HIS C . 18935 1 479 . 1 1 64 64 HIS CA C 13 55.769 0.3 . 1 . . . A 64 HIS CA . 18935 1 480 . 1 1 64 64 HIS CB C 13 32.370 0.3 . 1 . . . A 64 HIS CB . 18935 1 481 . 1 1 64 64 HIS N N 15 112.468 0.3 . 1 . . . A 64 HIS N . 18935 1 482 . 1 1 65 65 VAL H H 1 6.917 0.020 . 1 . . . A 65 VAL H . 18935 1 483 . 1 1 65 65 VAL HG11 H 1 0.341 0.020 . 1 . . . A 65 VAL HG11 . 18935 1 484 . 1 1 65 65 VAL HG12 H 1 0.341 0.020 . 1 . . . A 65 VAL HG12 . 18935 1 485 . 1 1 65 65 VAL HG13 H 1 0.341 0.020 . 1 . . . A 65 VAL HG13 . 18935 1 486 . 1 1 65 65 VAL HG21 H 1 -0.074 0.020 . 1 . . . A 65 VAL HG21 . 18935 1 487 . 1 1 65 65 VAL HG22 H 1 -0.074 0.020 . 1 . . . A 65 VAL HG22 . 18935 1 488 . 1 1 65 65 VAL HG23 H 1 -0.074 0.020 . 1 . . . A 65 VAL HG23 . 18935 1 489 . 1 1 65 65 VAL C C 13 174.301 0.3 . 1 . . . A 65 VAL C . 18935 1 490 . 1 1 65 65 VAL CA C 13 66.330 0.3 . 1 . . . A 65 VAL CA . 18935 1 491 . 1 1 65 65 VAL CB C 13 29.360 0.3 . 1 . . . A 65 VAL CB . 18935 1 492 . 1 1 65 65 VAL CG1 C 13 20.178 0.3 . 1 . . . A 65 VAL CG1 . 18935 1 493 . 1 1 65 65 VAL CG2 C 13 20.618 0.3 . 1 . . . A 65 VAL CG2 . 18935 1 494 . 1 1 65 65 VAL N N 15 117.499 0.3 . 1 . . . A 65 VAL N . 18935 1 495 . 1 1 66 66 LEU H H 1 9.102 0.020 . 1 . . . A 66 LEU H . 18935 1 496 . 1 1 66 66 LEU HD11 H 1 0.551 0.020 . 1 . . . A 66 LEU HD11 . 18935 1 497 . 1 1 66 66 LEU HD12 H 1 0.551 0.020 . 1 . . . A 66 LEU HD12 . 18935 1 498 . 1 1 66 66 LEU HD13 H 1 0.551 0.020 . 1 . . . A 66 LEU HD13 . 18935 1 499 . 1 1 66 66 LEU HD21 H 1 0.470 0.020 . 1 . . . A 66 LEU HD21 . 18935 1 500 . 1 1 66 66 LEU HD22 H 1 0.470 0.020 . 1 . . . A 66 LEU HD22 . 18935 1 501 . 1 1 66 66 LEU HD23 H 1 0.470 0.020 . 1 . . . A 66 LEU HD23 . 18935 1 502 . 1 1 66 66 LEU CA C 13 57.850 0.3 . 1 . . . A 66 LEU CA . 18935 1 503 . 1 1 66 66 LEU CB C 13 36.058 0.3 . 1 . . . A 66 LEU CB . 18935 1 504 . 1 1 66 66 LEU CD1 C 13 24.915 0.3 . 1 . . . A 66 LEU CD1 . 18935 1 505 . 1 1 66 66 LEU CD2 C 13 22.627 0.3 . 1 . . . A 66 LEU CD2 . 18935 1 506 . 1 1 66 66 LEU N N 15 113.873 0.3 . 1 . . . A 66 LEU N . 18935 1 507 . 1 1 68 68 ASN H H 1 7.234 0.020 . 1 . . . A 68 ASN H . 18935 1 508 . 1 1 68 68 ASN C C 13 174.877 0.3 . 1 . . . A 68 ASN C . 18935 1 509 . 1 1 68 68 ASN CA C 13 50.815 0.3 . 1 . . . A 68 ASN CA . 18935 1 510 . 1 1 68 68 ASN CB C 13 40.311 0.3 . 1 . . . A 68 ASN CB . 18935 1 511 . 1 1 68 68 ASN N N 15 110.792 0.3 . 1 . . . A 68 ASN N . 18935 1 512 . 1 1 69 69 ILE H H 1 7.428 0.020 . 1 . . . A 69 ILE H . 18935 1 513 . 1 1 69 69 ILE HD11 H 1 0.765 0.020 . 1 . . . A 69 ILE HD11 . 18935 1 514 . 1 1 69 69 ILE HD12 H 1 0.765 0.020 . 1 . . . A 69 ILE HD12 . 18935 1 515 . 1 1 69 69 ILE HD13 H 1 0.765 0.020 . 1 . . . A 69 ILE HD13 . 18935 1 516 . 1 1 69 69 ILE CA C 13 59.912 0.3 . 1 . . . A 69 ILE CA . 18935 1 517 . 1 1 69 69 ILE CB C 13 38.038 0.3 . 1 . . . A 69 ILE CB . 18935 1 518 . 1 1 69 69 ILE CD1 C 13 13.691 0.3 . 1 . . . A 69 ILE CD1 . 18935 1 519 . 1 1 69 69 ILE N N 15 122.348 0.3 . 1 . . . A 69 ILE N . 18935 1 520 . 1 1 70 70 ARG H H 1 9.083 0.020 . 1 . . . A 70 ARG H . 18935 1 521 . 1 1 70 70 ARG C C 13 174.596 0.3 . 1 . . . A 70 ARG C . 18935 1 522 . 1 1 70 70 ARG CA C 13 53.161 0.3 . 1 . . . A 70 ARG CA . 18935 1 523 . 1 1 70 70 ARG CB C 13 32.453 0.3 . 1 . . . A 70 ARG CB . 18935 1 524 . 1 1 70 70 ARG N N 15 125.701 0.3 . 1 . . . A 70 ARG N . 18935 1 525 . 1 1 71 71 ILE H H 1 7.864 0.020 . 1 . . . A 71 ILE H . 18935 1 526 . 1 1 71 71 ILE HD11 H 1 0.102 0.020 . 1 . . . A 71 ILE HD11 . 18935 1 527 . 1 1 71 71 ILE HD12 H 1 0.102 0.020 . 1 . . . A 71 ILE HD12 . 18935 1 528 . 1 1 71 71 ILE HD13 H 1 0.102 0.020 . 1 . . . A 71 ILE HD13 . 18935 1 529 . 1 1 71 71 ILE C C 13 175.625 0.3 . 1 . . . A 71 ILE C . 18935 1 530 . 1 1 71 71 ILE CA C 13 59.776 0.3 . 1 . . . A 71 ILE CA . 18935 1 531 . 1 1 71 71 ILE CB C 13 37.967 0.3 . 1 . . . A 71 ILE CB . 18935 1 532 . 1 1 71 71 ILE CD1 C 13 12.539 0.3 . 1 . . . A 71 ILE CD1 . 18935 1 533 . 1 1 71 71 ILE N N 15 118.496 0.3 . 1 . . . A 71 ILE N . 18935 1 534 . 1 1 72 72 LYS H H 1 8.720 0.020 . 1 . . . A 72 LYS H . 18935 1 535 . 1 1 72 72 LYS C C 13 177.659 0.3 . 1 . . . A 72 LYS C . 18935 1 536 . 1 1 72 72 LYS CA C 13 57.428 0.3 . 1 . . . A 72 LYS CA . 18935 1 537 . 1 1 72 72 LYS CB C 13 31.374 0.3 . 1 . . . A 72 LYS CB . 18935 1 538 . 1 1 72 72 LYS N N 15 127.423 0.3 . 1 . . . A 72 LYS N . 18935 1 539 . 1 1 73 73 GLY H H 1 8.930 0.020 . 1 . . . A 73 GLY H . 18935 1 540 . 1 1 73 73 GLY C C 13 173.729 0.3 . 1 . . . A 73 GLY C . 18935 1 541 . 1 1 73 73 GLY CA C 13 45.831 0.3 . 1 . . . A 73 GLY CA . 18935 1 542 . 1 1 73 73 GLY N N 15 112.604 0.3 . 1 . . . A 73 GLY N . 18935 1 543 . 1 1 74 74 LEU H H 1 7.547 0.020 . 1 . . . A 74 LEU H . 18935 1 544 . 1 1 74 74 LEU HD11 H 1 1.118 0.020 . 1 . . . A 74 LEU HD11 . 18935 1 545 . 1 1 74 74 LEU HD12 H 1 1.118 0.020 . 1 . . . A 74 LEU HD12 . 18935 1 546 . 1 1 74 74 LEU HD13 H 1 1.118 0.020 . 1 . . . A 74 LEU HD13 . 18935 1 547 . 1 1 74 74 LEU HD21 H 1 1.085 0.020 . 1 . . . A 74 LEU HD21 . 18935 1 548 . 1 1 74 74 LEU HD22 H 1 1.085 0.020 . 1 . . . A 74 LEU HD22 . 18935 1 549 . 1 1 74 74 LEU HD23 H 1 1.085 0.020 . 1 . . . A 74 LEU HD23 . 18935 1 550 . 1 1 74 74 LEU C C 13 175.802 0.3 . 1 . . . A 74 LEU C . 18935 1 551 . 1 1 74 74 LEU CA C 13 53.661 0.3 . 1 . . . A 74 LEU CA . 18935 1 552 . 1 1 74 74 LEU CB C 13 44.053 0.3 . 1 . . . A 74 LEU CB . 18935 1 553 . 1 1 74 74 LEU CD1 C 13 25.227 0.3 . 1 . . . A 74 LEU CD1 . 18935 1 554 . 1 1 74 74 LEU CD2 C 13 25.508 0.3 . 1 . . . A 74 LEU CD2 . 18935 1 555 . 1 1 74 74 LEU N N 15 119.538 0.3 . 1 . . . A 74 LEU N . 18935 1 556 . 1 1 75 75 SER H H 1 9.076 0.020 . 1 . . . A 75 SER H . 18935 1 557 . 1 1 75 75 SER C C 13 173.111 0.3 . 1 . . . A 75 SER C . 18935 1 558 . 1 1 75 75 SER CA C 13 57.696 0.3 . 1 . . . A 75 SER CA . 18935 1 559 . 1 1 75 75 SER CB C 13 63.073 0.3 . 1 . . . A 75 SER CB . 18935 1 560 . 1 1 75 75 SER N N 15 118.994 0.3 . 1 . . . A 75 SER N . 18935 1 561 . 1 1 76 76 PHE H H 1 8.119 0.020 . 1 . . . A 76 PHE H . 18935 1 562 . 1 1 76 76 PHE HB2 H 1 2.929 0.020 . 2 . . . A 76 PHE HB2 . 18935 1 563 . 1 1 76 76 PHE HB3 H 1 3.110 0.020 . 2 . . . A 76 PHE HB3 . 18935 1 564 . 1 1 76 76 PHE HD1 H 1 7.026 0.020 . 3 . . . A 76 PHE HD1 . 18935 1 565 . 1 1 76 76 PHE HD2 H 1 7.026 0.020 . 1 . . . A 76 PHE HD2 . 18935 1 566 . 1 1 76 76 PHE C C 13 173.564 0.3 . 1 . . . A 76 PHE C . 18935 1 567 . 1 1 76 76 PHE CA C 13 55.409 0.3 . 1 . . . A 76 PHE CA . 18935 1 568 . 1 1 76 76 PHE CB C 13 41.843 0.3 . 1 . . . A 76 PHE CB . 18935 1 569 . 1 1 76 76 PHE N N 15 117.802 0.3 . 1 . . . A 76 PHE N . 18935 1 570 . 1 1 77 77 SER H H 1 8.989 0.020 . 1 . . . A 77 SER H . 18935 1 571 . 1 1 77 77 SER C C 13 173.194 0.3 . 1 . . . A 77 SER C . 18935 1 572 . 1 1 77 77 SER CA C 13 55.999 0.3 . 1 . . . A 77 SER CA . 18935 1 573 . 1 1 77 77 SER CB C 13 65.218 0.3 . 1 . . . A 77 SER CB . 18935 1 574 . 1 1 77 77 SER N N 15 113.918 0.3 . 1 . . . A 77 SER N . 18935 1 575 . 1 1 78 78 VAL H H 1 8.995 0.020 . 1 . . . A 78 VAL H . 18935 1 576 . 1 1 78 78 VAL HG11 H 1 0.829 0.020 . 1 . . . A 78 VAL HG11 . 18935 1 577 . 1 1 78 78 VAL HG12 H 1 0.829 0.020 . 1 . . . A 78 VAL HG12 . 18935 1 578 . 1 1 78 78 VAL HG13 H 1 0.829 0.020 . 1 . . . A 78 VAL HG13 . 18935 1 579 . 1 1 78 78 VAL HG21 H 1 1.089 0.020 . 1 . . . A 78 VAL HG21 . 18935 1 580 . 1 1 78 78 VAL HG22 H 1 1.089 0.020 . 1 . . . A 78 VAL HG22 . 18935 1 581 . 1 1 78 78 VAL HG23 H 1 1.089 0.020 . 1 . . . A 78 VAL HG23 . 18935 1 582 . 1 1 78 78 VAL C C 13 176.057 0.3 . 1 . . . A 78 VAL C . 18935 1 583 . 1 1 78 78 VAL CA C 13 62.091 0.3 . 1 . . . A 78 VAL CA . 18935 1 584 . 1 1 78 78 VAL CB C 13 32.294 0.3 . 1 . . . A 78 VAL CB . 18935 1 585 . 1 1 78 78 VAL CG1 C 13 21.400 0.3 . 1 . . . A 78 VAL CG1 . 18935 1 586 . 1 1 78 78 VAL CG2 C 13 20.966 0.3 . 1 . . . A 78 VAL CG2 . 18935 1 587 . 1 1 78 78 VAL N N 15 123.662 0.3 . 1 . . . A 78 VAL N . 18935 1 588 . 1 1 79 79 LYS H H 1 9.425 0.020 . 1 . . . A 79 LYS H . 18935 1 589 . 1 1 79 79 LYS C C 13 176.436 0.3 . 1 . . . A 79 LYS C . 18935 1 590 . 1 1 79 79 LYS CA C 13 57.652 0.3 . 1 . . . A 79 LYS CA . 18935 1 591 . 1 1 79 79 LYS CB C 13 32.473 0.3 . 1 . . . A 79 LYS CB . 18935 1 592 . 1 1 79 79 LYS N N 15 129.417 0.3 . 1 . . . A 79 LYS N . 18935 1 593 . 1 1 80 80 VAL H H 1 7.380 0.020 . 1 . . . A 80 VAL H . 18935 1 594 . 1 1 80 80 VAL HG11 H 1 1.019 0.020 . 1 . . . A 80 VAL HG11 . 18935 1 595 . 1 1 80 80 VAL HG12 H 1 1.019 0.020 . 1 . . . A 80 VAL HG12 . 18935 1 596 . 1 1 80 80 VAL HG13 H 1 1.019 0.020 . 1 . . . A 80 VAL HG13 . 18935 1 597 . 1 1 80 80 VAL HG21 H 1 0.804 0.020 . 1 . . . A 80 VAL HG21 . 18935 1 598 . 1 1 80 80 VAL HG22 H 1 0.804 0.020 . 1 . . . A 80 VAL HG22 . 18935 1 599 . 1 1 80 80 VAL HG23 H 1 0.804 0.020 . 1 . . . A 80 VAL HG23 . 18935 1 600 . 1 1 80 80 VAL CA C 13 59.097 0.3 . 1 . . . A 80 VAL CA . 18935 1 601 . 1 1 80 80 VAL CB C 13 34.082 0.3 . 1 . . . A 80 VAL CB . 18935 1 602 . 1 1 80 80 VAL CG1 C 13 22.273 0.3 . 1 . . . A 80 VAL CG1 . 18935 1 603 . 1 1 80 80 VAL CG2 C 13 18.683 0.3 . 1 . . . A 80 VAL CG2 . 18935 1 604 . 1 1 80 80 VAL N N 15 108.616 0.3 . 1 . . . A 80 VAL N . 18935 1 605 . 1 1 81 81 CYS H H 1 9.759 0.020 . 1 . . . A 81 CYS H . 18935 1 606 . 1 1 81 81 CYS C C 13 172.053 0.3 . 1 . . . A 81 CYS C . 18935 1 607 . 1 1 81 81 CYS CA C 13 59.739 0.3 . 1 . . . A 81 CYS CA . 18935 1 608 . 1 1 81 81 CYS CB C 13 27.332 0.3 . 1 . . . A 81 CYS CB . 18935 1 609 . 1 1 81 81 CYS N N 15 123.254 0.3 . 1 . . . A 81 CYS N . 18935 1 610 . 1 1 82 82 GLY H H 1 8.537 0.020 . 1 . . . A 82 GLY H . 18935 1 611 . 1 1 82 82 GLY C C 13 171.814 0.3 . 1 . . . A 82 GLY C . 18935 1 612 . 1 1 82 82 GLY CA C 13 44.353 0.3 . 1 . . . A 82 GLY CA . 18935 1 613 . 1 1 82 82 GLY N N 15 118.450 0.3 . 1 . . . A 82 GLY N . 18935 1 614 . 1 1 83 83 GLU H H 1 8.473 0.020 . 1 . . . A 83 GLU H . 18935 1 615 . 1 1 83 83 GLU C C 13 179.320 0.3 . 1 . . . A 83 GLU C . 18935 1 616 . 1 1 83 83 GLU CA C 13 57.675 0.3 . 1 . . . A 83 GLU CA . 18935 1 617 . 1 1 83 83 GLU CB C 13 29.907 0.3 . 1 . . . A 83 GLU CB . 18935 1 618 . 1 1 83 83 GLU N N 15 113.964 0.3 . 1 . . . A 83 GLU N . 18935 1 619 . 1 1 84 84 ARG H H 1 9.760 0.020 . 1 . . . A 84 ARG H . 18935 1 620 . 1 1 84 84 ARG C C 13 177.252 0.3 . 1 . . . A 84 ARG C . 18935 1 621 . 1 1 84 84 ARG CA C 13 54.504 0.3 . 1 . . . A 84 ARG CA . 18935 1 622 . 1 1 84 84 ARG CB C 13 31.546 0.3 . 1 . . . A 84 ARG CB . 18935 1 623 . 1 1 84 84 ARG N N 15 117.544 0.3 . 1 . . . A 84 ARG N . 18935 1 624 . 1 1 85 85 LYS H H 1 8.494 0.020 . 1 . . . A 85 LYS H . 18935 1 625 . 1 1 85 85 LYS C C 13 173.379 0.3 . 1 . . . A 85 LYS C . 18935 1 626 . 1 1 85 85 LYS CA C 13 55.232 0.3 . 1 . . . A 85 LYS CA . 18935 1 627 . 1 1 85 85 LYS CB C 13 34.212 0.3 . 1 . . . A 85 LYS CB . 18935 1 628 . 1 1 85 85 LYS N N 15 124.160 0.3 . 1 . . . A 85 LYS N . 18935 1 629 . 1 1 86 86 CYS H H 1 9.221 0.020 . 1 . . . A 86 CYS H . 18935 1 630 . 1 1 86 86 CYS C C 13 171.935 0.3 . 1 . . . A 86 CYS C . 18935 1 631 . 1 1 86 86 CYS CA C 13 55.878 0.3 . 1 . . . A 86 CYS CA . 18935 1 632 . 1 1 86 86 CYS CB C 13 30.304 0.3 . 1 . . . A 86 CYS CB . 18935 1 633 . 1 1 86 86 CYS N N 15 126.472 0.3 . 1 . . . A 86 CYS N . 18935 1 634 . 1 1 87 87 VAL H H 1 8.623 0.020 . 1 . . . A 87 VAL H . 18935 1 635 . 1 1 87 87 VAL HG11 H 1 0.762 0.020 . 1 . . . A 87 VAL HG11 . 18935 1 636 . 1 1 87 87 VAL HG12 H 1 0.762 0.020 . 1 . . . A 87 VAL HG12 . 18935 1 637 . 1 1 87 87 VAL HG13 H 1 0.762 0.020 . 1 . . . A 87 VAL HG13 . 18935 1 638 . 1 1 87 87 VAL HG21 H 1 0.837 0.020 . 1 . . . A 87 VAL HG21 . 18935 1 639 . 1 1 87 87 VAL HG22 H 1 0.837 0.020 . 1 . . . A 87 VAL HG22 . 18935 1 640 . 1 1 87 87 VAL HG23 H 1 0.837 0.020 . 1 . . . A 87 VAL HG23 . 18935 1 641 . 1 1 87 87 VAL C C 13 173.760 0.3 . 1 . . . A 87 VAL C . 18935 1 642 . 1 1 87 87 VAL CA C 13 61.333 0.3 . 1 . . . A 87 VAL CA . 18935 1 643 . 1 1 87 87 VAL CB C 13 33.338 0.3 . 1 . . . A 87 VAL CB . 18935 1 644 . 1 1 87 87 VAL CG1 C 13 20.178 0.3 . 1 . . . A 87 VAL CG1 . 18935 1 645 . 1 1 87 87 VAL CG2 C 13 20.135 0.3 . 1 . . . A 87 VAL CG2 . 18935 1 646 . 1 1 87 87 VAL N N 15 126.426 0.3 . 1 . . . A 87 VAL N . 18935 1 647 . 1 1 88 88 LEU H H 1 9.592 0.020 . 1 . . . A 88 LEU H . 18935 1 648 . 1 1 88 88 LEU HD21 H 1 0.576 0.020 . 1 . . . A 88 LEU HD21 . 18935 1 649 . 1 1 88 88 LEU HD22 H 1 0.576 0.020 . 1 . . . A 88 LEU HD22 . 18935 1 650 . 1 1 88 88 LEU HD23 H 1 0.576 0.020 . 1 . . . A 88 LEU HD23 . 18935 1 651 . 1 1 88 88 LEU C C 13 175.424 0.3 . 1 . . . A 88 LEU C . 18935 1 652 . 1 1 88 88 LEU CA C 13 52.085 0.3 . 1 . . . A 88 LEU CA . 18935 1 653 . 1 1 88 88 LEU CB C 13 44.544 0.3 . 1 . . . A 88 LEU CB . 18935 1 654 . 1 1 88 88 LEU CD2 C 13 26.561 0.3 . 1 . . . A 88 LEU CD2 . 18935 1 655 . 1 1 88 88 LEU N N 15 125.701 0.3 . 1 . . . A 88 LEU N . 18935 1 656 . 1 1 89 89 PHE H H 1 8.979 0.020 . 1 . . . A 89 PHE H . 18935 1 657 . 1 1 89 89 PHE HB2 H 1 2.793 0.020 . 2 . . . A 89 PHE HB2 . 18935 1 658 . 1 1 89 89 PHE HB3 H 1 2.932 0.020 . 2 . . . A 89 PHE HB3 . 18935 1 659 . 1 1 89 89 PHE HD1 H 1 7.081 0.020 . 1 . . . A 89 PHE HD1 . 18935 1 660 . 1 1 89 89 PHE HD2 H 1 7.081 0.020 . 1 . . . A 89 PHE HD2 . 18935 1 661 . 1 1 89 89 PHE C C 13 177.068 0.3 . 1 . . . A 89 PHE C . 18935 1 662 . 1 1 89 89 PHE CA C 13 55.875 0.3 . 1 . . . A 89 PHE CA . 18935 1 663 . 1 1 89 89 PHE CB C 13 38.837 0.3 . 1 . . . A 89 PHE CB . 18935 1 664 . 1 1 89 89 PHE N N 15 118.314 0.3 . 1 . . . A 89 PHE N . 18935 1 665 . 1 1 90 90 ILE H H 1 9.447 0.020 . 1 . . . A 90 ILE H . 18935 1 666 . 1 1 90 90 ILE HD11 H 1 0.760 0.020 . 1 . . . A 90 ILE HD11 . 18935 1 667 . 1 1 90 90 ILE HD12 H 1 0.760 0.020 . 1 . . . A 90 ILE HD12 . 18935 1 668 . 1 1 90 90 ILE HD13 H 1 0.760 0.020 . 1 . . . A 90 ILE HD13 . 18935 1 669 . 1 1 90 90 ILE C C 13 173.692 0.3 . 1 . . . A 90 ILE C . 18935 1 670 . 1 1 90 90 ILE CA C 13 58.672 0.3 . 1 . . . A 90 ILE CA . 18935 1 671 . 1 1 90 90 ILE CB C 13 40.183 0.3 . 1 . . . A 90 ILE CB . 18935 1 672 . 1 1 90 90 ILE CD1 C 13 14.080 0.3 . 1 . . . A 90 ILE CD1 . 18935 1 673 . 1 1 90 90 ILE N N 15 119.039 0.3 . 1 . . . A 90 ILE N . 18935 1 674 . 1 1 91 91 GLU H H 1 8.360 0.020 . 1 . . . A 91 GLU H . 18935 1 675 . 1 1 91 91 GLU C C 13 175.565 0.3 . 1 . . . A 91 GLU C . 18935 1 676 . 1 1 91 91 GLU CA C 13 54.465 0.3 . 1 . . . A 91 GLU CA . 18935 1 677 . 1 1 91 91 GLU CB C 13 29.662 0.3 . 1 . . . A 91 GLU CB . 18935 1 678 . 1 1 91 91 GLU N N 15 122.801 0.3 . 1 . . . A 91 GLU N . 18935 1 679 . 1 1 92 92 TRP H H 1 9.425 0.020 . 1 . . . A 92 TRP H . 18935 1 680 . 1 1 92 92 TRP HD1 H 1 7.026 0.020 . 1 . . . A 92 TRP HD1 . 18935 1 681 . 1 1 92 92 TRP C C 13 175.070 0.3 . 1 . . . A 92 TRP C . 18935 1 682 . 1 1 92 92 TRP CA C 13 56.190 0.3 . 1 . . . A 92 TRP CA . 18935 1 683 . 1 1 92 92 TRP CB C 13 30.582 0.3 . 1 . . . A 92 TRP CB . 18935 1 684 . 1 1 92 92 TRP N N 15 126.018 0.3 . 1 . . . A 92 TRP N . 18935 1 685 . 1 1 93 93 GLU H H 1 8.914 0.020 . 1 . . . A 93 GLU H . 18935 1 686 . 1 1 93 93 GLU C C 13 175.637 0.3 . 1 . . . A 93 GLU C . 18935 1 687 . 1 1 93 93 GLU CA C 13 56.769 0.3 . 1 . . . A 93 GLU CA . 18935 1 688 . 1 1 93 93 GLU CB C 13 25.944 0.3 . 1 . . . A 93 GLU CB . 18935 1 689 . 1 1 93 93 GLU N N 15 126.381 0.3 . 1 . . . A 93 GLU N . 18935 1 690 . 1 1 94 94 LYS H H 1 8.634 0.020 . 1 . . . A 94 LYS H . 18935 1 691 . 1 1 94 94 LYS C C 13 175.359 0.3 . 1 . . . A 94 LYS C . 18935 1 692 . 1 1 94 94 LYS CA C 13 57.429 0.3 . 1 . . . A 94 LYS CA . 18935 1 693 . 1 1 94 94 LYS CB C 13 28.642 0.3 . 1 . . . A 94 LYS CB . 18935 1 694 . 1 1 94 94 LYS N N 15 107.891 0.3 . 1 . . . A 94 LYS N . 18935 1 695 . 1 1 95 95 LYS H H 1 7.924 0.020 . 1 . . . A 95 LYS H . 18935 1 696 . 1 1 95 95 LYS C C 13 174.369 0.3 . 1 . . . A 95 LYS C . 18935 1 697 . 1 1 95 95 LYS CA C 13 54.353 0.3 . 1 . . . A 95 LYS CA . 18935 1 698 . 1 1 95 95 LYS CB C 13 34.463 0.3 . 1 . . . A 95 LYS CB . 18935 1 699 . 1 1 95 95 LYS N N 15 120.490 0.3 . 1 . . . A 95 LYS N . 18935 1 700 . 1 1 96 96 THR H H 1 7.967 0.020 . 1 . . . A 96 THR H . 18935 1 701 . 1 1 96 96 THR C C 13 174.317 0.3 . 1 . . . A 96 THR C . 18935 1 702 . 1 1 96 96 THR CA C 13 61.203 0.3 . 1 . . . A 96 THR CA . 18935 1 703 . 1 1 96 96 THR CB C 13 69.348 0.3 . 1 . . . A 96 THR CB . 18935 1 704 . 1 1 96 96 THR N N 15 115.278 0.3 . 1 . . . A 96 THR N . 18935 1 705 . 1 1 97 97 TYR H H 1 9.232 0.020 . 1 . . . A 97 TYR H . 18935 1 706 . 1 1 97 97 TYR HB2 H 1 2.387 0.020 . 2 . . . A 97 TYR HB2 . 18935 1 707 . 1 1 97 97 TYR HB3 H 1 2.876 0.020 . 2 . . . A 97 TYR HB3 . 18935 1 708 . 1 1 97 97 TYR HD1 H 1 7.051 0.020 . 1 . . . A 97 TYR HD1 . 18935 1 709 . 1 1 97 97 TYR HD2 H 1 7.051 0.020 . 1 . . . A 97 TYR HD2 . 18935 1 710 . 1 1 97 97 TYR C C 13 173.320 0.3 . 1 . . . A 97 TYR C . 18935 1 711 . 1 1 97 97 TYR CA C 13 55.884 0.3 . 1 . . . A 97 TYR CA . 18935 1 712 . 1 1 97 97 TYR CB C 13 41.136 0.3 . 1 . . . A 97 TYR CB . 18935 1 713 . 1 1 97 97 TYR N N 15 123.254 0.3 . 1 . . . A 97 TYR N . 18935 1 714 . 1 1 98 98 GLN H H 1 9.000 0.020 . 1 . . . A 98 GLN H . 18935 1 715 . 1 1 98 98 GLN C C 13 172.781 0.3 . 1 . . . A 98 GLN C . 18935 1 716 . 1 1 98 98 GLN CA C 13 55.171 0.3 . 1 . . . A 98 GLN CA . 18935 1 717 . 1 1 98 98 GLN CB C 13 28.399 0.3 . 1 . . . A 98 GLN CB . 18935 1 718 . 1 1 98 98 GLN N N 15 122.574 0.3 . 1 . . . A 98 GLN N . 18935 1 719 . 1 1 99 99 LEU H H 1 9.246 0.020 . 1 . . . A 99 LEU H . 18935 1 720 . 1 1 99 99 LEU HD11 H 1 0.590 0.020 . 1 . . . A 99 LEU HD11 . 18935 1 721 . 1 1 99 99 LEU HD12 H 1 0.590 0.020 . 1 . . . A 99 LEU HD12 . 18935 1 722 . 1 1 99 99 LEU HD13 H 1 0.590 0.020 . 1 . . . A 99 LEU HD13 . 18935 1 723 . 1 1 99 99 LEU HD21 H 1 0.724 0.020 . 1 . . . A 99 LEU HD21 . 18935 1 724 . 1 1 99 99 LEU HD22 H 1 0.724 0.020 . 1 . . . A 99 LEU HD22 . 18935 1 725 . 1 1 99 99 LEU HD23 H 1 0.724 0.020 . 1 . . . A 99 LEU HD23 . 18935 1 726 . 1 1 99 99 LEU C C 13 172.806 0.3 . 1 . . . A 99 LEU C . 18935 1 727 . 1 1 99 99 LEU CA C 13 52.050 0.3 . 1 . . . A 99 LEU CA . 18935 1 728 . 1 1 99 99 LEU CB C 13 44.752 0.3 . 1 . . . A 99 LEU CB . 18935 1 729 . 1 1 99 99 LEU CD1 C 13 23.350 0.3 . 1 . . . A 99 LEU CD1 . 18935 1 730 . 1 1 99 99 LEU CD2 C 13 23.409 0.3 . 1 . . . A 99 LEU CD2 . 18935 1 731 . 1 1 99 99 LEU N N 15 130.218 0.3 . 1 . . . A 99 LEU N . 18935 1 732 . 1 1 100 100 ASP H H 1 9.253 0.020 . 1 . . . A 100 ASP H . 18935 1 733 . 1 1 100 100 ASP C C 13 172.626 0.3 . 1 . . . A 100 ASP C . 18935 1 734 . 1 1 100 100 ASP CA C 13 50.430 0.3 . 1 . . . A 100 ASP CA . 18935 1 735 . 1 1 100 100 ASP CB C 13 37.328 0.3 . 1 . . . A 100 ASP CB . 18935 1 736 . 1 1 100 100 ASP N N 15 124.931 0.3 . 1 . . . A 100 ASP N . 18935 1 737 . 1 1 101 101 LEU H H 1 8.726 0.020 . 1 . . . A 101 LEU H . 18935 1 738 . 1 1 101 101 LEU HD11 H 1 0.589 0.020 . 1 . . . A 101 LEU HD11 . 18935 1 739 . 1 1 101 101 LEU HD12 H 1 0.589 0.020 . 1 . . . A 101 LEU HD12 . 18935 1 740 . 1 1 101 101 LEU HD13 H 1 0.589 0.020 . 1 . . . A 101 LEU HD13 . 18935 1 741 . 1 1 101 101 LEU HD21 H 1 0.628 0.020 . 1 . . . A 101 LEU HD21 . 18935 1 742 . 1 1 101 101 LEU HD22 H 1 0.628 0.020 . 1 . . . A 101 LEU HD22 . 18935 1 743 . 1 1 101 101 LEU HD23 H 1 0.628 0.020 . 1 . . . A 101 LEU HD23 . 18935 1 744 . 1 1 101 101 LEU C C 13 173.869 0.3 . 1 . . . A 101 LEU C . 18935 1 745 . 1 1 101 101 LEU CA C 13 51.655 0.3 . 1 . . . A 101 LEU CA . 18935 1 746 . 1 1 101 101 LEU CB C 13 44.166 0.3 . 1 . . . A 101 LEU CB . 18935 1 747 . 1 1 101 101 LEU CD1 C 13 26.216 0.3 . 1 . . . A 101 LEU CD1 . 18935 1 748 . 1 1 101 101 LEU CD2 C 13 24.989 0.3 . 1 . . . A 101 LEU CD2 . 18935 1 749 . 1 1 101 101 LEU N N 15 119.402 0.3 . 1 . . . A 101 LEU N . 18935 1 750 . 1 1 102 102 PHE H H 1 8.236 0.020 . 1 . . . A 102 PHE H . 18935 1 751 . 1 1 102 102 PHE HD1 H 1 7.005 0.020 . 1 . . . A 102 PHE HD1 . 18935 1 752 . 1 1 102 102 PHE HD2 H 1 7.005 0.020 . 1 . . . A 102 PHE HD2 . 18935 1 753 . 1 1 102 102 PHE C C 13 175.853 0.3 . 1 . . . A 102 PHE C . 18935 1 754 . 1 1 102 102 PHE CA C 13 53.282 0.3 . 1 . . . A 102 PHE CA . 18935 1 755 . 1 1 102 102 PHE CB C 13 41.824 0.3 . 1 . . . A 102 PHE CB . 18935 1 756 . 1 1 102 102 PHE N N 15 117.952 0.3 . 1 . . . A 102 PHE N . 18935 1 757 . 1 1 103 103 THR H H 1 7.917 0.020 . 1 . . . A 103 THR H . 18935 1 758 . 1 1 103 103 THR C C 13 175.154 0.3 . 1 . . . A 103 THR C . 18935 1 759 . 1 1 103 103 THR CA C 13 57.685 0.3 . 1 . . . A 103 THR CA . 18935 1 760 . 1 1 103 103 THR CB C 13 71.037 0.3 . 1 . . . A 103 THR CB . 18935 1 761 . 1 1 103 103 THR N N 15 106.853 0.3 . 1 . . . A 103 THR N . 18935 1 762 . 1 1 104 104 ALA H H 1 8.930 0.020 . 1 . . . A 104 ALA H . 18935 1 763 . 1 1 104 104 ALA C C 13 175.947 0.3 . 1 . . . A 104 ALA C . 18935 1 764 . 1 1 104 104 ALA CA C 13 49.807 0.3 . 1 . . . A 104 ALA CA . 18935 1 765 . 1 1 104 104 ALA CB C 13 22.428 0.3 . 1 . . . A 104 ALA CB . 18935 1 766 . 1 1 104 104 ALA N N 15 122.348 0.3 . 1 . . . A 104 ALA N . 18935 1 767 . 1 1 105 105 LEU H H 1 8.316 0.020 . 1 . . . A 105 LEU H . 18935 1 768 . 1 1 105 105 LEU HD11 H 1 0.825 0.020 . 1 . . . A 105 LEU HD11 . 18935 1 769 . 1 1 105 105 LEU HD12 H 1 0.825 0.020 . 1 . . . A 105 LEU HD12 . 18935 1 770 . 1 1 105 105 LEU HD13 H 1 0.825 0.020 . 1 . . . A 105 LEU HD13 . 18935 1 771 . 1 1 105 105 LEU HD21 H 1 0.973 0.020 . 1 . . . A 105 LEU HD21 . 18935 1 772 . 1 1 105 105 LEU HD22 H 1 0.973 0.020 . 1 . . . A 105 LEU HD22 . 18935 1 773 . 1 1 105 105 LEU HD23 H 1 0.973 0.020 . 1 . . . A 105 LEU HD23 . 18935 1 774 . 1 1 105 105 LEU C C 13 179.628 0.3 . 1 . . . A 105 LEU C . 18935 1 775 . 1 1 105 105 LEU CA C 13 53.123 0.3 . 1 . . . A 105 LEU CA . 18935 1 776 . 1 1 105 105 LEU CB C 13 41.334 0.3 . 1 . . . A 105 LEU CB . 18935 1 777 . 1 1 105 105 LEU CD1 C 13 22.601 0.3 . 1 . . . A 105 LEU CD1 . 18935 1 778 . 1 1 105 105 LEU CD2 C 13 25.331 0.3 . 1 . . . A 105 LEU CD2 . 18935 1 779 . 1 1 105 105 LEU N N 15 119.855 0.3 . 1 . . . A 105 LEU N . 18935 1 780 . 1 1 106 106 ALA H H 1 8.306 0.020 . 1 . . . A 106 ALA H . 18935 1 781 . 1 1 106 106 ALA C C 13 181.056 0.3 . 1 . . . A 106 ALA C . 18935 1 782 . 1 1 106 106 ALA CA C 13 56.349 0.3 . 1 . . . A 106 ALA CA . 18935 1 783 . 1 1 106 106 ALA CB C 13 17.315 0.3 . 1 . . . A 106 ALA CB . 18935 1 784 . 1 1 106 106 ALA N N 15 123.662 0.3 . 1 . . . A 106 ALA N . 18935 1 785 . 1 1 107 107 GLU H H 1 9.754 0.020 . 1 . . . A 107 GLU H . 18935 1 786 . 1 1 107 107 GLU C C 13 177.854 0.3 . 1 . . . A 107 GLU C . 18935 1 787 . 1 1 107 107 GLU CA C 13 58.386 0.3 . 1 . . . A 107 GLU CA . 18935 1 788 . 1 1 107 107 GLU CB C 13 27.844 0.3 . 1 . . . A 107 GLU CB . 18935 1 789 . 1 1 107 107 GLU N N 15 114.825 0.3 . 1 . . . A 107 GLU N . 18935 1 790 . 1 1 108 108 GLU H H 1 7.859 0.020 . 1 . . . A 108 GLU H . 18935 1 791 . 1 1 108 108 GLU C C 13 178.001 0.3 . 1 . . . A 108 GLU C . 18935 1 792 . 1 1 108 108 GLU CA C 13 54.926 0.3 . 1 . . . A 108 GLU CA . 18935 1 793 . 1 1 108 108 GLU CB C 13 30.001 0.3 . 1 . . . A 108 GLU CB . 18935 1 794 . 1 1 108 108 GLU N N 15 115.097 0.3 . 1 . . . A 108 GLU N . 18935 1 795 . 1 1 109 109 LYS H H 1 7.660 0.020 . 1 . . . A 109 LYS H . 18935 1 796 . 1 1 109 109 LYS C C 13 172.691 0.3 . 1 . . . A 109 LYS C . 18935 1 797 . 1 1 109 109 LYS CA C 13 62.902 0.3 . 1 . . . A 109 LYS CA . 18935 1 798 . 1 1 109 109 LYS CB C 13 30.541 0.3 . 1 . . . A 109 LYS CB . 18935 1 799 . 1 1 109 109 LYS N N 15 118.360 0.3 . 1 . . . A 109 LYS N . 18935 1 800 . 1 1 111 111 TYR H H 1 6.583 0.020 . 1 . . . A 111 TYR H . 18935 1 801 . 1 1 111 111 TYR HB2 H 1 2.923 0.020 . 2 . . . A 111 TYR HB2 . 18935 1 802 . 1 1 111 111 TYR HB3 H 1 3.158 0.020 . 2 . . . A 111 TYR HB3 . 18935 1 803 . 1 1 111 111 TYR HD1 H 1 6.957 0.020 . 1 . . . A 111 TYR HD1 . 18935 1 804 . 1 1 111 111 TYR HD2 H 1 6.957 0.020 . 1 . . . A 111 TYR HD2 . 18935 1 805 . 1 1 111 111 TYR C C 13 179.764 0.3 . 1 . . . A 111 TYR C . 18935 1 806 . 1 1 111 111 TYR CA C 13 58.998 0.3 . 1 . . . A 111 TYR CA . 18935 1 807 . 1 1 111 111 TYR CB C 13 35.956 0.3 . 1 . . . A 111 TYR CB . 18935 1 808 . 1 1 111 111 TYR N N 15 114.054 0.3 . 1 . . . A 111 TYR N . 18935 1 809 . 1 1 112 112 ALA H H 1 8.753 0.020 . 1 . . . A 112 ALA H . 18935 1 810 . 1 1 112 112 ALA C C 13 179.430 0.3 . 1 . . . A 112 ALA C . 18935 1 811 . 1 1 112 112 ALA CA C 13 54.969 0.3 . 1 . . . A 112 ALA CA . 18935 1 812 . 1 1 112 112 ALA CB C 13 18.812 0.3 . 1 . . . A 112 ALA CB . 18935 1 813 . 1 1 112 112 ALA N N 15 124.749 0.3 . 1 . . . A 112 ALA N . 18935 1 814 . 1 1 113 113 ILE H H 1 8.946 0.020 . 1 . . . A 113 ILE H . 18935 1 815 . 1 1 113 113 ILE HD11 H 1 0.849 0.020 . 1 . . . A 113 ILE HD11 . 18935 1 816 . 1 1 113 113 ILE HD12 H 1 0.849 0.020 . 1 . . . A 113 ILE HD12 . 18935 1 817 . 1 1 113 113 ILE HD13 H 1 0.849 0.020 . 1 . . . A 113 ILE HD13 . 18935 1 818 . 1 1 113 113 ILE C C 13 178.646 0.3 . 1 . . . A 113 ILE C . 18935 1 819 . 1 1 113 113 ILE CA C 13 66.401 0.3 . 1 . . . A 113 ILE CA . 18935 1 820 . 1 1 113 113 ILE CB C 13 37.237 0.3 . 1 . . . A 113 ILE CB . 18935 1 821 . 1 1 113 113 ILE CD1 C 13 14.273 0.3 . 1 . . . A 113 ILE CD1 . 18935 1 822 . 1 1 113 113 ILE N N 15 119.130 0.3 . 1 . . . A 113 ILE N . 18935 1 823 . 1 1 114 114 PHE H H 1 7.940 0.020 . 1 . . . A 114 PHE H . 18935 1 824 . 1 1 114 114 PHE HD1 H 1 7.025 0.020 . 1 . . . A 114 PHE HD1 . 18935 1 825 . 1 1 114 114 PHE HD2 H 1 7.025 0.020 . 1 . . . A 114 PHE HD2 . 18935 1 826 . 1 1 114 114 PHE C C 13 177.954 0.3 . 1 . . . A 114 PHE C . 18935 1 827 . 1 1 114 114 PHE CA C 13 59.777 0.3 . 1 . . . A 114 PHE CA . 18935 1 828 . 1 1 114 114 PHE CB C 13 39.064 0.3 . 1 . . . A 114 PHE CB . 18935 1 829 . 1 1 114 114 PHE N N 15 121.758 0.3 . 1 . . . A 114 PHE N . 18935 1 830 . 1 1 115 115 HIS H H 1 7.767 0.020 . 1 . . . A 115 HIS H . 18935 1 831 . 1 1 115 115 HIS C C 13 176.161 0.3 . 1 . . . A 115 HIS C . 18935 1 832 . 1 1 115 115 HIS CA C 13 59.119 0.3 . 1 . . . A 115 HIS CA . 18935 1 833 . 1 1 115 115 HIS CB C 13 31.067 0.3 . 1 . . . A 115 HIS CB . 18935 1 834 . 1 1 115 115 HIS N N 15 116.547 0.3 . 1 . . . A 115 HIS N . 18935 1 835 . 1 1 116 116 PHE H H 1 8.989 0.020 . 1 . . . A 116 PHE H . 18935 1 836 . 1 1 116 116 PHE C C 13 177.282 0.3 . 1 . . . A 116 PHE C . 18935 1 837 . 1 1 116 116 PHE CA C 13 61.434 0.3 . 1 . . . A 116 PHE CA . 18935 1 838 . 1 1 116 116 PHE CB C 13 37.255 0.3 . 1 . . . A 116 PHE CB . 18935 1 839 . 1 1 116 116 PHE N N 15 109.387 0.3 . 1 . . . A 116 PHE N . 18935 1 840 . 1 1 117 117 THR H H 1 7.988 0.020 . 1 . . . A 117 THR H . 18935 1 841 . 1 1 117 117 THR C C 13 172.889 0.3 . 1 . . . A 117 THR C . 18935 1 842 . 1 1 117 117 THR CA C 13 66.997 0.3 . 1 . . . A 117 THR CA . 18935 1 843 . 1 1 117 117 THR CB C 13 67.948 0.3 . 1 . . . A 117 THR CB . 18935 1 844 . 1 1 117 117 THR N N 15 116.864 0.3 . 1 . . . A 117 THR N . 18935 1 845 . 1 1 118 118 GLY H H 1 6.550 0.020 . 1 . . . A 118 GLY H . 18935 1 846 . 1 1 118 118 GLY C C 13 176.912 0.3 . 1 . . . A 118 GLY C . 18935 1 847 . 1 1 118 118 GLY CA C 13 44.182 0.3 . 1 . . . A 118 GLY CA . 18935 1 848 . 1 1 118 118 GLY N N 15 103.320 0.3 . 1 . . . A 118 GLY N . 18935 1 849 . 1 1 120 120 VAL H H 1 8.408 0.020 . 1 . . . A 120 VAL H . 18935 1 850 . 1 1 120 120 VAL C C 13 176.283 0.3 . 1 . . . A 120 VAL C . 18935 1 851 . 1 1 120 120 VAL CA C 13 66.940 0.3 . 1 . . . A 120 VAL CA . 18935 1 852 . 1 1 120 120 VAL CB C 13 29.852 0.3 . 1 . . . A 120 VAL CB . 18935 1 853 . 1 1 120 120 VAL N N 15 120.671 0.3 . 1 . . . A 120 VAL N . 18935 1 854 . 1 1 121 121 SER H H 1 8.290 0.020 . 1 . . . A 121 SER H . 18935 1 855 . 1 1 121 121 SER C C 13 175.658 0.3 . 1 . . . A 121 SER C . 18935 1 856 . 1 1 121 121 SER CA C 13 60.814 0.3 . 1 . . . A 121 SER CA . 18935 1 857 . 1 1 121 121 SER CB C 13 60.253 0.3 . 1 . . . A 121 SER CB . 18935 1 858 . 1 1 121 121 SER N N 15 111.789 0.3 . 1 . . . A 121 SER N . 18935 1 859 . 1 1 122 122 TYR H H 1 6.303 0.020 . 1 . . . A 122 TYR H . 18935 1 860 . 1 1 122 122 TYR C C 13 174.611 0.3 . 1 . . . A 122 TYR C . 18935 1 861 . 1 1 122 122 TYR CA C 13 58.546 0.3 . 1 . . . A 122 TYR CA . 18935 1 862 . 1 1 122 122 TYR CB C 13 38.139 0.3 . 1 . . . A 122 TYR CB . 18935 1 863 . 1 1 122 122 TYR N N 15 123.254 0.3 . 1 . . . A 122 TYR N . 18935 1 864 . 1 1 123 123 LEU H H 1 6.965 0.020 . 1 . . . A 123 LEU H . 18935 1 865 . 1 1 123 123 LEU HD11 H 1 0.200 0.020 . 1 . . . A 123 LEU HD11 . 18935 1 866 . 1 1 123 123 LEU HD12 H 1 0.200 0.020 . 1 . . . A 123 LEU HD12 . 18935 1 867 . 1 1 123 123 LEU HD13 H 1 0.200 0.020 . 1 . . . A 123 LEU HD13 . 18935 1 868 . 1 1 123 123 LEU HD21 H 1 0.138 0.020 . 1 . . . A 123 LEU HD21 . 18935 1 869 . 1 1 123 123 LEU HD22 H 1 0.138 0.020 . 1 . . . A 123 LEU HD22 . 18935 1 870 . 1 1 123 123 LEU HD23 H 1 0.138 0.020 . 1 . . . A 123 LEU HD23 . 18935 1 871 . 1 1 123 123 LEU C C 13 178.891 0.3 . 1 . . . A 123 LEU C . 18935 1 872 . 1 1 123 123 LEU CA C 13 56.779 0.3 . 1 . . . A 123 LEU CA . 18935 1 873 . 1 1 123 123 LEU CB C 13 40.638 0.3 . 1 . . . A 123 LEU CB . 18935 1 874 . 1 1 123 123 LEU CD1 C 13 26.064 0.3 . 1 . . . A 123 LEU CD1 . 18935 1 875 . 1 1 123 123 LEU CD2 C 13 21.551 0.3 . 1 . . . A 123 LEU CD2 . 18935 1 876 . 1 1 123 123 LEU N N 15 114.825 0.3 . 1 . . . A 123 LEU N . 18935 1 877 . 1 1 124 124 ILE H H 1 7.531 0.020 . 1 . . . A 124 ILE H . 18935 1 878 . 1 1 124 124 ILE HD11 H 1 0.190 0.020 . 1 . . . A 124 ILE HD11 . 18935 1 879 . 1 1 124 124 ILE HD12 H 1 0.190 0.020 . 1 . . . A 124 ILE HD12 . 18935 1 880 . 1 1 124 124 ILE HD13 H 1 0.190 0.020 . 1 . . . A 124 ILE HD13 . 18935 1 881 . 1 1 124 124 ILE C C 13 177.187 0.3 . 1 . . . A 124 ILE C . 18935 1 882 . 1 1 124 124 ILE CA C 13 64.431 0.3 . 1 . . . A 124 ILE CA . 18935 1 883 . 1 1 124 124 ILE CB C 13 36.555 0.3 . 1 . . . A 124 ILE CB . 18935 1 884 . 1 1 124 124 ILE CD1 C 13 13.702 0.3 . 1 . . . A 124 ILE CD1 . 18935 1 885 . 1 1 124 124 ILE N N 15 114.915 0.3 . 1 . . . A 124 ILE N . 18935 1 886 . 1 1 125 125 ARG H H 1 6.809 0.020 . 1 . . . A 125 ARG H . 18935 1 887 . 1 1 125 125 ARG C C 13 178.473 0.3 . 1 . . . A 125 ARG C . 18935 1 888 . 1 1 125 125 ARG CA C 13 58.459 0.3 . 1 . . . A 125 ARG CA . 18935 1 889 . 1 1 125 125 ARG CB C 13 27.079 0.3 . 1 . . . A 125 ARG CB . 18935 1 890 . 1 1 125 125 ARG N N 15 115.278 0.3 . 1 . . . A 125 ARG N . 18935 1 891 . 1 1 126 126 ILE H H 1 7.408 0.020 . 1 . . . A 126 ILE H . 18935 1 892 . 1 1 126 126 ILE HD11 H 1 -0.361 0.020 . 1 . . . A 126 ILE HD11 . 18935 1 893 . 1 1 126 126 ILE HD12 H 1 -0.361 0.020 . 1 . . . A 126 ILE HD12 . 18935 1 894 . 1 1 126 126 ILE HD13 H 1 -0.361 0.020 . 1 . . . A 126 ILE HD13 . 18935 1 895 . 1 1 126 126 ILE C C 13 178.172 0.3 . 1 . . . A 126 ILE C . 18935 1 896 . 1 1 126 126 ILE CA C 13 60.927 0.3 . 1 . . . A 126 ILE CA . 18935 1 897 . 1 1 126 126 ILE CB C 13 34.466 0.3 . 1 . . . A 126 ILE CB . 18935 1 898 . 1 1 126 126 ILE CD1 C 13 8.315 0.3 . 1 . . . A 126 ILE CD1 . 18935 1 899 . 1 1 126 126 ILE N N 15 124.160 0.3 . 1 . . . A 126 ILE N . 18935 1 900 . 1 1 127 127 ARG H H 1 8.230 0.020 . 1 . . . A 127 ARG H . 18935 1 901 . 1 1 127 127 ARG C C 13 179.227 0.3 . 1 . . . A 127 ARG C . 18935 1 902 . 1 1 127 127 ARG CA C 13 60.216 0.3 . 1 . . . A 127 ARG CA . 18935 1 903 . 1 1 127 127 ARG CB C 13 27.789 0.3 . 1 . . . A 127 ARG CB . 18935 1 904 . 1 1 127 127 ARG N N 15 117.136 0.3 . 1 . . . A 127 ARG N . 18935 1 905 . 1 1 128 128 ALA H H 1 8.666 0.020 . 1 . . . A 128 ALA H . 18935 1 906 . 1 1 128 128 ALA C C 13 179.933 0.3 . 1 . . . A 128 ALA C . 18935 1 907 . 1 1 128 128 ALA CA C 13 54.706 0.3 . 1 . . . A 128 ALA CA . 18935 1 908 . 1 1 128 128 ALA CB C 13 18.338 0.3 . 1 . . . A 128 ALA CB . 18935 1 909 . 1 1 128 128 ALA N N 15 121.305 0.3 . 1 . . . A 128 ALA N . 18935 1 910 . 1 1 129 129 ALA H H 1 7.837 0.020 . 1 . . . A 129 ALA H . 18935 1 911 . 1 1 129 129 ALA C C 13 181.336 0.3 . 1 . . . A 129 ALA C . 18935 1 912 . 1 1 129 129 ALA CA C 13 54.708 0.3 . 1 . . . A 129 ALA CA . 18935 1 913 . 1 1 129 129 ALA CB C 13 16.860 0.3 . 1 . . . A 129 ALA CB . 18935 1 914 . 1 1 129 129 ALA N N 15 120.943 0.3 . 1 . . . A 129 ALA N . 18935 1 915 . 1 1 130 130 LEU H H 1 8.114 0.020 . 1 . . . A 130 LEU H . 18935 1 916 . 1 1 130 130 LEU HD11 H 1 0.932 0.020 . 1 . . . A 130 LEU HD11 . 18935 1 917 . 1 1 130 130 LEU HD12 H 1 0.932 0.020 . 1 . . . A 130 LEU HD12 . 18935 1 918 . 1 1 130 130 LEU HD13 H 1 0.932 0.020 . 1 . . . A 130 LEU HD13 . 18935 1 919 . 1 1 130 130 LEU HD21 H 1 0.903 0.020 . 1 . . . A 130 LEU HD21 . 18935 1 920 . 1 1 130 130 LEU HD22 H 1 0.903 0.020 . 1 . . . A 130 LEU HD22 . 18935 1 921 . 1 1 130 130 LEU HD23 H 1 0.903 0.020 . 1 . . . A 130 LEU HD23 . 18935 1 922 . 1 1 130 130 LEU C C 13 179.432 0.3 . 1 . . . A 130 LEU C . 18935 1 923 . 1 1 130 130 LEU CA C 13 57.176 0.3 . 1 . . . A 130 LEU CA . 18935 1 924 . 1 1 130 130 LEU CB C 13 40.566 0.3 . 1 . . . A 130 LEU CB . 18935 1 925 . 1 1 130 130 LEU CD1 C 13 29.376 0.3 . 1 . . . A 130 LEU CD1 . 18935 1 926 . 1 1 130 130 LEU CD2 C 13 22.976 0.3 . 1 . . . A 130 LEU CD2 . 18935 1 927 . 1 1 130 130 LEU N N 15 117.726 0.3 . 1 . . . A 130 LEU N . 18935 1 928 . 1 1 131 131 LYS H H 1 8.849 0.020 . 1 . . . A 131 LYS H . 18935 1 929 . 1 1 131 131 LYS C C 13 181.452 0.3 . 1 . . . A 131 LYS C . 18935 1 930 . 1 1 131 131 LYS CA C 13 58.886 0.3 . 1 . . . A 131 LYS CA . 18935 1 931 . 1 1 131 131 LYS CB C 13 32.198 0.3 . 1 . . . A 131 LYS CB . 18935 1 932 . 1 1 131 131 LYS N N 15 124.115 0.3 . 1 . . . A 131 LYS N . 18935 1 933 . 1 1 132 132 LYS H H 1 7.778 0.020 . 1 . . . A 132 LYS H . 18935 1 934 . 1 1 132 132 LYS C C 13 177.607 0.3 . 1 . . . A 132 LYS C . 18935 1 935 . 1 1 132 132 LYS CA C 13 57.952 0.3 . 1 . . . A 132 LYS CA . 18935 1 936 . 1 1 132 132 LYS CB C 13 31.425 0.3 . 1 . . . A 132 LYS CB . 18935 1 937 . 1 1 132 132 LYS N N 15 119.447 0.3 . 1 . . . A 132 LYS N . 18935 1 938 . 1 1 133 133 LYS H H 1 7.617 0.020 . 1 . . . A 133 LYS H . 18935 1 939 . 1 1 133 133 LYS C C 13 174.681 0.3 . 1 . . . A 133 LYS C . 18935 1 940 . 1 1 133 133 LYS CA C 13 55.078 0.3 . 1 . . . A 133 LYS CA . 18935 1 941 . 1 1 133 133 LYS CB C 13 31.640 0.3 . 1 . . . A 133 LYS CB . 18935 1 942 . 1 1 133 133 LYS N N 15 116.638 0.3 . 1 . . . A 133 LYS N . 18935 1 943 . 1 1 134 134 ASN H H 1 8.123 0.020 . 1 . . . A 134 ASN H . 18935 1 944 . 1 1 134 134 ASN C C 13 174.034 0.3 . 1 . . . A 134 ASN C . 18935 1 945 . 1 1 134 134 ASN CA C 13 54.615 0.3 . 1 . . . A 134 ASN CA . 18935 1 946 . 1 1 134 134 ASN CB C 13 36.052 0.3 . 1 . . . A 134 ASN CB . 18935 1 947 . 1 1 134 134 ASN N N 15 110.792 0.3 . 1 . . . A 134 ASN N . 18935 1 948 . 1 1 135 135 TYR H H 1 8.133 0.020 . 1 . . . A 135 TYR H . 18935 1 949 . 1 1 135 135 TYR HB2 H 1 2.721 0.020 . 2 . . . A 135 TYR HB2 . 18935 1 950 . 1 1 135 135 TYR HB3 H 1 2.872 0.020 . 2 . . . A 135 TYR HB3 . 18935 1 951 . 1 1 135 135 TYR HD1 H 1 7.052 0.020 . 1 . . . A 135 TYR HD1 . 18935 1 952 . 1 1 135 135 TYR HD2 H 1 7.052 0.020 . 1 . . . A 135 TYR HD2 . 18935 1 953 . 1 1 135 135 TYR C C 13 175.122 0.3 . 1 . . . A 135 TYR C . 18935 1 954 . 1 1 135 135 TYR CA C 13 56.752 0.3 . 1 . . . A 135 TYR CA . 18935 1 955 . 1 1 135 135 TYR CB C 13 41.916 0.3 . 1 . . . A 135 TYR CB . 18935 1 956 . 1 1 135 135 TYR N N 15 115.867 0.3 . 1 . . . A 135 TYR N . 18935 1 957 . 1 1 136 136 LYS H H 1 9.234 0.020 . 1 . . . A 136 LYS H . 18935 1 958 . 1 1 136 136 LYS C C 13 174.324 0.3 . 1 . . . A 136 LYS C . 18935 1 959 . 1 1 136 136 LYS CA C 13 55.181 0.3 . 1 . . . A 136 LYS CA . 18935 1 960 . 1 1 136 136 LYS CB C 13 34.073 0.3 . 1 . . . A 136 LYS CB . 18935 1 961 . 1 1 136 136 LYS N N 15 119.870 0.3 . 1 . . . A 136 LYS N . 18935 1 962 . 1 1 137 137 LEU H H 1 8.959 0.020 . 1 . . . A 137 LEU H . 18935 1 963 . 1 1 137 137 LEU HD11 H 1 1.299 0.020 . 1 . . . A 137 LEU HD11 . 18935 1 964 . 1 1 137 137 LEU HD12 H 1 1.299 0.020 . 1 . . . A 137 LEU HD12 . 18935 1 965 . 1 1 137 137 LEU HD13 H 1 1.299 0.020 . 1 . . . A 137 LEU HD13 . 18935 1 966 . 1 1 137 137 LEU HD21 H 1 0.882 0.020 . 1 . . . A 137 LEU HD21 . 18935 1 967 . 1 1 137 137 LEU HD22 H 1 0.882 0.020 . 1 . . . A 137 LEU HD22 . 18935 1 968 . 1 1 137 137 LEU HD23 H 1 0.882 0.020 . 1 . . . A 137 LEU HD23 . 18935 1 969 . 1 1 137 137 LEU C C 13 173.798 0.3 . 1 . . . A 137 LEU C . 18935 1 970 . 1 1 137 137 LEU CA C 13 52.834 0.3 . 1 . . . A 137 LEU CA . 18935 1 971 . 1 1 137 137 LEU CB C 13 44.983 0.3 . 1 . . . A 137 LEU CB . 18935 1 972 . 1 1 137 137 LEU CD1 C 13 23.156 0.3 . 1 . . . A 137 LEU CD1 . 18935 1 973 . 1 1 137 137 LEU CD2 C 13 27.731 0.3 . 1 . . . A 137 LEU CD2 . 18935 1 974 . 1 1 137 137 LEU N N 15 129.708 0.3 . 1 . . . A 137 LEU N . 18935 1 975 . 1 1 140 140 TYR H H 1 8.962 0.020 . 1 . . . A 140 TYR H . 18935 1 976 . 1 1 140 140 TYR HD1 H 1 6.986 0.020 . 1 . . . A 140 TYR HD1 . 18935 1 977 . 1 1 140 140 TYR HD2 H 1 6.986 0.020 . 1 . . . A 140 TYR HD2 . 18935 1 978 . 1 1 140 140 TYR C C 13 174.705 0.3 . 1 . . . A 140 TYR C . 18935 1 979 . 1 1 140 140 TYR CA C 13 56.452 0.3 . 1 . . . A 140 TYR CA . 18935 1 980 . 1 1 140 140 TYR CB C 13 38.301 0.3 . 1 . . . A 140 TYR CB . 18935 1 981 . 1 1 140 140 TYR N N 15 120.580 0.3 . 1 . . . A 140 TYR N . 18935 1 982 . 1 1 141 141 GLY H H 1 7.555 0.020 . 1 . . . A 141 GLY H . 18935 1 983 . 1 1 141 141 GLY C C 13 181.854 0.3 . 1 . . . A 141 GLY C . 18935 1 984 . 1 1 141 141 GLY CA C 13 44.122 0.3 . 1 . . . A 141 GLY CA . 18935 1 985 . 1 1 141 141 GLY N N 15 104.986 0.3 . 1 . . . A 141 GLY N . 18935 1 986 . 1 1 142 142 LEU H H 1 7.794 0.020 . 1 . . . A 142 LEU H . 18935 1 987 . 1 1 142 142 LEU HD11 H 1 0.921 0.020 . 1 . . . A 142 LEU HD11 . 18935 1 988 . 1 1 142 142 LEU HD12 H 1 0.921 0.020 . 1 . . . A 142 LEU HD12 . 18935 1 989 . 1 1 142 142 LEU HD13 H 1 0.921 0.020 . 1 . . . A 142 LEU HD13 . 18935 1 990 . 1 1 142 142 LEU HD21 H 1 0.590 0.020 . 1 . . . A 142 LEU HD21 . 18935 1 991 . 1 1 142 142 LEU HD22 H 1 0.590 0.020 . 1 . . . A 142 LEU HD22 . 18935 1 992 . 1 1 142 142 LEU HD23 H 1 0.590 0.020 . 1 . . . A 142 LEU HD23 . 18935 1 993 . 1 1 142 142 LEU C C 13 174.067 0.3 . 1 . . . A 142 LEU C . 18935 1 994 . 1 1 142 142 LEU CA C 13 52.502 0.3 . 1 . . . A 142 LEU CA . 18935 1 995 . 1 1 142 142 LEU CB C 13 44.542 0.3 . 1 . . . A 142 LEU CB . 18935 1 996 . 1 1 142 142 LEU CD1 C 13 24.256 0.3 . 1 . . . A 142 LEU CD1 . 18935 1 997 . 1 1 142 142 LEU CD2 C 13 25.950 0.3 . 1 . . . A 142 LEU CD2 . 18935 1 998 . 1 1 142 142 LEU N N 15 118.269 0.3 . 1 . . . A 142 LEU N . 18935 1 999 . 1 1 143 143 PHE H H 1 9.522 0.020 . 1 . . . A 143 PHE H . 18935 1 1000 . 1 1 143 143 PHE HB2 H 1 2.877 0.020 . 2 . . . A 143 PHE HB2 . 18935 1 1001 . 1 1 143 143 PHE HB3 H 1 2.972 0.020 . 2 . . . A 143 PHE HB3 . 18935 1 1002 . 1 1 143 143 PHE HD1 H 1 6.852 0.020 . 1 . . . A 143 PHE HD1 . 18935 1 1003 . 1 1 143 143 PHE HD2 H 1 6.852 0.020 . 1 . . . A 143 PHE HD2 . 18935 1 1004 . 1 1 143 143 PHE C C 13 175.199 0.3 . 1 . . . A 143 PHE C . 18935 1 1005 . 1 1 143 143 PHE CA C 13 56.032 0.3 . 1 . . . A 143 PHE CA . 18935 1 1006 . 1 1 143 143 PHE CB C 13 42.070 0.3 . 1 . . . A 143 PHE CB . 18935 1 1007 . 1 1 143 143 PHE N N 15 122.076 0.3 . 1 . . . A 143 PHE N . 18935 1 1008 . 1 1 144 144 LYS H H 1 9.076 0.020 . 1 . . . A 144 LYS H . 18935 1 1009 . 1 1 144 144 LYS C C 13 176.917 0.3 . 1 . . . A 144 LYS C . 18935 1 1010 . 1 1 144 144 LYS CA C 13 55.356 0.3 . 1 . . . A 144 LYS CA . 18935 1 1011 . 1 1 144 144 LYS CB C 13 33.679 0.3 . 1 . . . A 144 LYS CB . 18935 1 1012 . 1 1 144 144 LYS N N 15 121.305 0.3 . 1 . . . A 144 LYS N . 18935 1 1013 . 1 1 145 145 ASN H H 1 9.618 0.020 . 1 . . . A 145 ASN H . 18935 1 1014 . 1 1 145 145 ASN C C 13 175.070 0.3 . 1 . . . A 145 ASN C . 18935 1 1015 . 1 1 145 145 ASN CA C 13 54.764 0.3 . 1 . . . A 145 ASN CA . 18935 1 1016 . 1 1 145 145 ASN CB C 13 36.430 0.3 . 1 . . . A 145 ASN CB . 18935 1 1017 . 1 1 145 145 ASN N N 15 126.834 0.3 . 1 . . . A 145 ASN N . 18935 1 1018 . 1 1 146 146 GLN H H 1 9.140 0.020 . 1 . . . A 146 GLN H . 18935 1 1019 . 1 1 146 146 GLN C C 13 175.198 0.3 . 1 . . . A 146 GLN C . 18935 1 1020 . 1 1 146 146 GLN CA C 13 56.896 0.3 . 1 . . . A 146 GLN CA . 18935 1 1021 . 1 1 146 146 GLN CB C 13 26.368 0.3 . 1 . . . A 146 GLN CB . 18935 1 1022 . 1 1 146 146 GLN N N 15 110.112 0.3 . 1 . . . A 146 GLN N . 18935 1 1023 . 1 1 147 147 THR H H 1 8.069 0.020 . 1 . . . A 147 THR H . 18935 1 1024 . 1 1 147 147 THR C C 13 173.224 0.3 . 1 . . . A 147 THR C . 18935 1 1025 . 1 1 147 147 THR CA C 13 61.450 0.3 . 1 . . . A 147 THR CA . 18935 1 1026 . 1 1 147 147 THR CB C 13 70.285 0.3 . 1 . . . A 147 THR CB . 18935 1 1027 . 1 1 147 147 THR N N 15 116.003 0.3 . 1 . . . A 147 THR N . 18935 1 1028 . 1 1 148 148 LEU H H 1 8.831 0.020 . 1 . . . A 148 LEU H . 18935 1 1029 . 1 1 148 148 LEU HD11 H 1 0.396 0.020 . 1 . . . A 148 LEU HD11 . 18935 1 1030 . 1 1 148 148 LEU HD12 H 1 0.396 0.020 . 1 . . . A 148 LEU HD12 . 18935 1 1031 . 1 1 148 148 LEU HD13 H 1 0.396 0.020 . 1 . . . A 148 LEU HD13 . 18935 1 1032 . 1 1 148 148 LEU HD21 H 1 0.665 0.020 . 1 . . . A 148 LEU HD21 . 18935 1 1033 . 1 1 148 148 LEU HD22 H 1 0.665 0.020 . 1 . . . A 148 LEU HD22 . 18935 1 1034 . 1 1 148 148 LEU HD23 H 1 0.665 0.020 . 1 . . . A 148 LEU HD23 . 18935 1 1035 . 1 1 148 148 LEU C C 13 176.703 0.3 . 1 . . . A 148 LEU C . 18935 1 1036 . 1 1 148 148 LEU CA C 13 55.466 0.3 . 1 . . . A 148 LEU CA . 18935 1 1037 . 1 1 148 148 LEU CB C 13 41.725 0.3 . 1 . . . A 148 LEU CB . 18935 1 1038 . 1 1 148 148 LEU CD1 C 13 23.727 0.3 . 1 . . . A 148 LEU CD1 . 18935 1 1039 . 1 1 148 148 LEU CD2 C 13 25.521 0.3 . 1 . . . A 148 LEU CD2 . 18935 1 1040 . 1 1 148 148 LEU N N 15 129.281 0.3 . 1 . . . A 148 LEU N . 18935 1 1041 . 1 1 149 149 VAL H H 1 9.243 0.020 . 1 . . . A 149 VAL H . 18935 1 1042 . 1 1 149 149 VAL HG11 H 1 0.890 0.020 . 1 . . . A 149 VAL HG11 . 18935 1 1043 . 1 1 149 149 VAL HG12 H 1 0.890 0.020 . 1 . . . A 149 VAL HG12 . 18935 1 1044 . 1 1 149 149 VAL HG13 H 1 0.890 0.020 . 1 . . . A 149 VAL HG13 . 18935 1 1045 . 1 1 149 149 VAL HG21 H 1 1.015 0.020 . 1 . . . A 149 VAL HG21 . 18935 1 1046 . 1 1 149 149 VAL HG22 H 1 1.015 0.020 . 1 . . . A 149 VAL HG22 . 18935 1 1047 . 1 1 149 149 VAL HG23 H 1 1.015 0.020 . 1 . . . A 149 VAL HG23 . 18935 1 1048 . 1 1 149 149 VAL C C 13 175.012 0.3 . 1 . . . A 149 VAL C . 18935 1 1049 . 1 1 149 149 VAL CA C 13 59.269 0.3 . 1 . . . A 149 VAL CA . 18935 1 1050 . 1 1 149 149 VAL CB C 13 31.456 0.3 . 1 . . . A 149 VAL CB . 18935 1 1051 . 1 1 149 149 VAL CG1 C 13 20.539 0.3 . 1 . . . A 149 VAL CG1 . 18935 1 1052 . 1 1 149 149 VAL CG2 C 13 21.665 0.3 . 1 . . . A 149 VAL CG2 . 18935 1 1053 . 1 1 149 149 VAL N N 15 130.189 0.3 . 1 . . . A 149 VAL N . 18935 1 1054 . 1 1 151 151 LEU H H 1 8.080 0.020 . 1 . . . A 151 LEU H . 18935 1 1055 . 1 1 151 151 LEU HD11 H 1 0.860 0.020 . 1 . . . A 151 LEU HD11 . 18935 1 1056 . 1 1 151 151 LEU HD12 H 1 0.860 0.020 . 1 . . . A 151 LEU HD12 . 18935 1 1057 . 1 1 151 151 LEU HD13 H 1 0.860 0.020 . 1 . . . A 151 LEU HD13 . 18935 1 1058 . 1 1 151 151 LEU HD21 H 1 0.762 0.020 . 1 . . . A 151 LEU HD21 . 18935 1 1059 . 1 1 151 151 LEU HD22 H 1 0.762 0.020 . 1 . . . A 151 LEU HD22 . 18935 1 1060 . 1 1 151 151 LEU HD23 H 1 0.762 0.020 . 1 . . . A 151 LEU HD23 . 18935 1 1061 . 1 1 151 151 LEU C C 13 177.679 0.3 . 1 . . . A 151 LEU C . 18935 1 1062 . 1 1 151 151 LEU CA C 13 53.997 0.3 . 1 . . . A 151 LEU CA . 18935 1 1063 . 1 1 151 151 LEU CB C 13 43.619 0.3 . 1 . . . A 151 LEU CB . 18935 1 1064 . 1 1 151 151 LEU CD1 C 13 25.336 0.3 . 1 . . . A 151 LEU CD1 . 18935 1 1065 . 1 1 151 151 LEU CD2 C 13 22.802 0.3 . 1 . . . A 151 LEU CD2 . 18935 1 1066 . 1 1 151 151 LEU N N 15 123.481 0.3 . 1 . . . A 151 LEU N . 18935 1 1067 . 1 1 152 152 LYS H H 1 9.112 0.020 . 1 . . . A 152 LYS H . 18935 1 1068 . 1 1 152 152 LYS C C 13 175.115 0.3 . 1 . . . A 152 LYS C . 18935 1 1069 . 1 1 152 152 LYS CA C 13 54.596 0.3 . 1 . . . A 152 LYS CA . 18935 1 1070 . 1 1 152 152 LYS CB C 13 29.065 0.3 . 1 . . . A 152 LYS CB . 18935 1 1071 . 1 1 152 152 LYS N N 15 126.381 0.3 . 1 . . . A 152 LYS N . 18935 1 1072 . 1 1 153 153 ILE H H 1 7.304 0.020 . 1 . . . A 153 ILE H . 18935 1 1073 . 1 1 153 153 ILE HD11 H 1 0.489 0.020 . 1 . . . A 153 ILE HD11 . 18935 1 1074 . 1 1 153 153 ILE HD12 H 1 0.489 0.020 . 1 . . . A 153 ILE HD12 . 18935 1 1075 . 1 1 153 153 ILE HD13 H 1 0.489 0.020 . 1 . . . A 153 ILE HD13 . 18935 1 1076 . 1 1 153 153 ILE C C 13 175.748 0.3 . 1 . . . A 153 ILE C . 18935 1 1077 . 1 1 153 153 ILE CA C 13 58.389 0.3 . 1 . . . A 153 ILE CA . 18935 1 1078 . 1 1 153 153 ILE CB C 13 41.803 0.3 . 1 . . . A 153 ILE CB . 18935 1 1079 . 1 1 153 153 ILE CD1 C 13 15.067 0.3 . 1 . . . A 153 ILE CD1 . 18935 1 1080 . 1 1 153 153 ILE N N 15 113.737 0.3 . 1 . . . A 153 ILE N . 18935 1 1081 . 1 1 154 154 THR H H 1 9.382 0.020 . 1 . . . A 154 THR H . 18935 1 1082 . 1 1 154 154 THR C C 13 174.864 0.3 . 1 . . . A 154 THR C . 18935 1 1083 . 1 1 154 154 THR CA C 13 62.141 0.3 . 1 . . . A 154 THR CA . 18935 1 1084 . 1 1 154 154 THR CB C 13 70.413 0.3 . 1 . . . A 154 THR CB . 18935 1 1085 . 1 1 154 154 THR N N 15 110.656 0.3 . 1 . . . A 154 THR N . 18935 1 1086 . 1 1 155 155 THR H H 1 7.746 0.020 . 1 . . . A 155 THR H . 18935 1 1087 . 1 1 155 155 THR C C 13 174.718 0.3 . 1 . . . A 155 THR C . 18935 1 1088 . 1 1 155 155 THR CA C 13 58.785 0.3 . 1 . . . A 155 THR CA . 18935 1 1089 . 1 1 155 155 THR CB C 13 72.277 0.3 . 1 . . . A 155 THR CB . 18935 1 1090 . 1 1 155 155 THR N N 15 110.746 0.3 . 1 . . . A 155 THR N . 18935 1 1091 . 1 1 156 156 GLU H H 1 9.490 0.020 . 1 . . . A 156 GLU H . 18935 1 1092 . 1 1 156 156 GLU C C 13 177.289 0.3 . 1 . . . A 156 GLU C . 18935 1 1093 . 1 1 156 156 GLU CA C 13 58.824 0.3 . 1 . . . A 156 GLU CA . 18935 1 1094 . 1 1 156 156 GLU CB C 13 28.381 0.3 . 1 . . . A 156 GLU CB . 18935 1 1095 . 1 1 156 156 GLU N N 15 122.302 0.3 . 1 . . . A 156 GLU N . 18935 1 1096 . 1 1 157 157 LYS H H 1 8.329 0.020 . 1 . . . A 157 LYS H . 18935 1 1097 . 1 1 157 157 LYS C C 13 178.241 0.3 . 1 . . . A 157 LYS C . 18935 1 1098 . 1 1 157 157 LYS CA C 13 59.765 0.3 . 1 . . . A 157 LYS CA . 18935 1 1099 . 1 1 157 157 LYS CB C 13 31.278 0.3 . 1 . . . A 157 LYS CB . 18935 1 1100 . 1 1 157 157 LYS N N 15 118.905 0.3 . 1 . . . A 157 LYS N . 18935 1 1101 . 1 1 158 158 GLU H H 1 7.611 0.020 . 1 . . . A 158 GLU H . 18935 1 1102 . 1 1 158 158 GLU C C 13 178.988 0.3 . 1 . . . A 158 GLU C . 18935 1 1103 . 1 1 158 158 GLU CA C 13 58.256 0.3 . 1 . . . A 158 GLU CA . 18935 1 1104 . 1 1 158 158 GLU CB C 13 29.058 0.3 . 1 . . . A 158 GLU CB . 18935 1 1105 . 1 1 158 158 GLU N N 15 116.230 0.3 . 1 . . . A 158 GLU N . 18935 1 1106 . 1 1 159 159 LEU H H 1 7.704 0.020 . 1 . . . A 159 LEU H . 18935 1 1107 . 1 1 159 159 LEU HD11 H 1 0.591 0.020 . 1 . . . A 159 LEU HD11 . 18935 1 1108 . 1 1 159 159 LEU HD12 H 1 0.591 0.020 . 1 . . . A 159 LEU HD12 . 18935 1 1109 . 1 1 159 159 LEU HD13 H 1 0.591 0.020 . 1 . . . A 159 LEU HD13 . 18935 1 1110 . 1 1 159 159 LEU HD21 H 1 0.259 0.020 . 1 . . . A 159 LEU HD21 . 18935 1 1111 . 1 1 159 159 LEU HD22 H 1 0.259 0.020 . 1 . . . A 159 LEU HD22 . 18935 1 1112 . 1 1 159 159 LEU HD23 H 1 0.259 0.020 . 1 . . . A 159 LEU HD23 . 18935 1 1113 . 1 1 159 159 LEU C C 13 176.347 0.3 . 1 . . . A 159 LEU C . 18935 1 1114 . 1 1 159 159 LEU CA C 13 53.239 0.3 . 1 . . . A 159 LEU CA . 18935 1 1115 . 1 1 159 159 LEU CB C 13 39.543 0.3 . 1 . . . A 159 LEU CB . 18935 1 1116 . 1 1 159 159 LEU CD1 C 13 23.063 0.3 . 1 . . . A 159 LEU CD1 . 18935 1 1117 . 1 1 159 159 LEU CD2 C 13 26.119 0.3 . 1 . . . A 159 LEU CD2 . 18935 1 1118 . 1 1 159 159 LEU N N 15 118.978 0.3 . 1 . . . A 159 LEU N . 18935 1 1119 . 1 1 160 160 ILE H H 1 7.886 0.020 . 1 . . . A 160 ILE H . 18935 1 1120 . 1 1 160 160 ILE HD11 H 1 0.824 0.020 . 1 . . . A 160 ILE HD11 . 18935 1 1121 . 1 1 160 160 ILE HD12 H 1 0.824 0.020 . 1 . . . A 160 ILE HD12 . 18935 1 1122 . 1 1 160 160 ILE HD13 H 1 0.824 0.020 . 1 . . . A 160 ILE HD13 . 18935 1 1123 . 1 1 160 160 ILE C C 13 177.219 0.3 . 1 . . . A 160 ILE C . 18935 1 1124 . 1 1 160 160 ILE CA C 13 65.615 0.3 . 1 . . . A 160 ILE CA . 18935 1 1125 . 1 1 160 160 ILE CB C 13 37.557 0.3 . 1 . . . A 160 ILE CB . 18935 1 1126 . 1 1 160 160 ILE CD1 C 13 14.136 0.3 . 1 . . . A 160 ILE CD1 . 18935 1 1127 . 1 1 160 160 ILE N N 15 117.227 0.3 . 1 . . . A 160 ILE N . 18935 1 1128 . 1 1 161 161 LYS H H 1 7.536 0.020 . 1 . . . A 161 LYS H . 18935 1 1129 . 1 1 161 161 LYS C C 13 180.990 0.3 . 1 . . . A 161 LYS C . 18935 1 1130 . 1 1 161 161 LYS CA C 13 58.631 0.3 . 1 . . . A 161 LYS CA . 18935 1 1131 . 1 1 161 161 LYS CB C 13 30.748 0.3 . 1 . . . A 161 LYS CB . 18935 1 1132 . 1 1 161 161 LYS N N 15 115.912 0.3 . 1 . . . A 161 LYS N . 18935 1 1133 . 1 1 162 162 GLU H H 1 8.392 0.020 . 1 . . . A 162 GLU H . 18935 1 1134 . 1 1 162 162 GLU C C 13 178.793 0.3 . 1 . . . A 162 GLU C . 18935 1 1135 . 1 1 162 162 GLU CA C 13 57.982 0.3 . 1 . . . A 162 GLU CA . 18935 1 1136 . 1 1 162 162 GLU CB C 13 27.792 0.3 . 1 . . . A 162 GLU CB . 18935 1 1137 . 1 1 162 162 GLU N N 15 120.852 0.3 . 1 . . . A 162 GLU N . 18935 1 1138 . 1 1 163 163 LEU H H 1 8.031 0.020 . 1 . . . A 163 LEU H . 18935 1 1139 . 1 1 163 163 LEU HD11 H 1 0.655 0.020 . 1 . . . A 163 LEU HD11 . 18935 1 1140 . 1 1 163 163 LEU HD12 H 1 0.655 0.020 . 1 . . . A 163 LEU HD12 . 18935 1 1141 . 1 1 163 163 LEU HD13 H 1 0.655 0.020 . 1 . . . A 163 LEU HD13 . 18935 1 1142 . 1 1 163 163 LEU HD21 H 1 0.707 0.020 . 1 . . . A 163 LEU HD21 . 18935 1 1143 . 1 1 163 163 LEU HD22 H 1 0.707 0.020 . 1 . . . A 163 LEU HD22 . 18935 1 1144 . 1 1 163 163 LEU HD23 H 1 0.707 0.020 . 1 . . . A 163 LEU HD23 . 18935 1 1145 . 1 1 163 163 LEU C C 13 176.370 0.3 . 1 . . . A 163 LEU C . 18935 1 1146 . 1 1 163 163 LEU CA C 13 55.094 0.3 . 1 . . . A 163 LEU CA . 18935 1 1147 . 1 1 163 163 LEU CB C 13 41.174 0.3 . 1 . . . A 163 LEU CB . 18935 1 1148 . 1 1 163 163 LEU CD1 C 13 26.037 0.3 . 1 . . . A 163 LEU CD1 . 18935 1 1149 . 1 1 163 163 LEU CD2 C 13 22.628 0.3 . 1 . . . A 163 LEU CD2 . 18935 1 1150 . 1 1 163 163 LEU N N 15 115.912 0.3 . 1 . . . A 163 LEU N . 18935 1 1151 . 1 1 164 164 GLY H H 1 7.625 0.020 . 1 . . . A 164 GLY H . 18935 1 1152 . 1 1 164 164 GLY C C 13 174.240 0.3 . 1 . . . A 164 GLY C . 18935 1 1153 . 1 1 164 164 GLY CA C 13 44.302 0.3 . 1 . . . A 164 GLY CA . 18935 1 1154 . 1 1 164 164 GLY N N 15 103.160 0.3 . 1 . . . A 164 GLY N . 18935 1 1155 . 1 1 165 165 PHE H H 1 7.283 0.020 . 1 . . . A 165 PHE H . 18935 1 1156 . 1 1 165 165 PHE C C 13 174.556 0.3 . 1 . . . A 165 PHE C . 18935 1 1157 . 1 1 165 165 PHE CA C 13 55.465 0.3 . 1 . . . A 165 PHE CA . 18935 1 1158 . 1 1 165 165 PHE CB C 13 40.762 0.3 . 1 . . . A 165 PHE CB . 18935 1 1159 . 1 1 165 165 PHE N N 15 117.952 0.3 . 1 . . . A 165 PHE N . 18935 1 1160 . 1 1 166 166 THR H H 1 9.678 0.020 . 1 . . . A 166 THR H . 18935 1 1161 . 1 1 166 166 THR C C 13 175.306 0.3 . 1 . . . A 166 THR C . 18935 1 1162 . 1 1 166 166 THR CA C 13 63.466 0.3 . 1 . . . A 166 THR CA . 18935 1 1163 . 1 1 166 166 THR CB C 13 68.721 0.3 . 1 . . . A 166 THR CB . 18935 1 1164 . 1 1 166 166 THR N N 15 118.178 0.3 . 1 . . . A 166 THR N . 18935 1 1165 . 1 1 167 167 TYR H H 1 9.264 0.020 . 1 . . . A 167 TYR H . 18935 1 1166 . 1 1 167 167 TYR HB2 H 1 2.811 0.020 . 2 . . . A 167 TYR HB2 . 18935 1 1167 . 1 1 167 167 TYR HB3 H 1 2.955 0.020 . 2 . . . A 167 TYR HB3 . 18935 1 1168 . 1 1 167 167 TYR HD1 H 1 6.904 0.020 . 1 . . . A 167 TYR HD1 . 18935 1 1169 . 1 1 167 167 TYR HD2 H 1 6.904 0.020 . 1 . . . A 167 TYR HD2 . 18935 1 1170 . 1 1 167 167 TYR C C 13 173.297 0.3 . 1 . . . A 167 TYR C . 18935 1 1171 . 1 1 167 167 TYR CA C 13 60.412 0.3 . 1 . . . A 167 TYR CA . 18935 1 1172 . 1 1 167 167 TYR CB C 13 36.722 0.3 . 1 . . . A 167 TYR CB . 18935 1 1173 . 1 1 167 167 TYR N N 15 128.239 0.3 . 1 . . . A 167 TYR N . 18935 1 1174 . 1 1 168 168 ARG H H 1 7.030 0.020 . 1 . . . A 168 ARG H . 18935 1 1175 . 1 1 168 168 ARG C C 13 175.297 0.3 . 1 . . . A 168 ARG C . 18935 1 1176 . 1 1 168 168 ARG CA C 13 52.765 0.3 . 1 . . . A 168 ARG CA . 18935 1 1177 . 1 1 168 168 ARG CB C 13 31.326 0.3 . 1 . . . A 168 ARG CB . 18935 1 1178 . 1 1 168 168 ARG N N 15 126.789 0.3 . 1 . . . A 168 ARG N . 18935 1 1179 . 1 1 169 169 ILE H H 1 8.349 0.020 . 1 . . . A 169 ILE H . 18935 1 1180 . 1 1 169 169 ILE HD11 H 1 0.831 0.020 . 1 . . . A 169 ILE HD11 . 18935 1 1181 . 1 1 169 169 ILE HD12 H 1 0.831 0.020 . 1 . . . A 169 ILE HD12 . 18935 1 1182 . 1 1 169 169 ILE HD13 H 1 0.831 0.020 . 1 . . . A 169 ILE HD13 . 18935 1 1183 . 1 1 169 169 ILE C C 13 174.522 0.3 . 1 . . . A 169 ILE C . 18935 1 1184 . 1 1 169 169 ILE CA C 13 60.279 0.3 . 1 . . . A 169 ILE CA . 18935 1 1185 . 1 1 169 169 ILE CB C 13 34.647 0.3 . 1 . . . A 169 ILE CB . 18935 1 1186 . 1 1 169 169 ILE CD1 C 13 13.953 0.3 . 1 . . . A 169 ILE CD1 . 18935 1 1187 . 1 1 169 169 ILE N N 15 119.221 0.3 . 1 . . . A 169 ILE N . 18935 1 1188 . 1 1 171 171 LYS H H 1 8.198 0.020 . 1 . . . A 171 LYS H . 18935 1 1189 . 1 1 171 171 LYS C C 13 176.638 0.3 . 1 . . . A 171 LYS C . 18935 1 1190 . 1 1 171 171 LYS CA C 13 57.538 0.3 . 1 . . . A 171 LYS CA . 18935 1 1191 . 1 1 171 171 LYS CB C 13 31.967 0.3 . 1 . . . A 171 LYS CB . 18935 1 1192 . 1 1 171 171 LYS N N 15 111.335 0.3 . 1 . . . A 171 LYS N . 18935 1 1193 . 1 1 172 172 LYS H H 1 7.843 0.020 . 1 . . . A 172 LYS H . 18935 1 1194 . 1 1 172 172 LYS C C 13 175.331 0.3 . 1 . . . A 172 LYS C . 18935 1 1195 . 1 1 172 172 LYS CA C 13 54.001 0.3 . 1 . . . A 172 LYS CA . 18935 1 1196 . 1 1 172 172 LYS CB C 13 31.818 0.3 . 1 . . . A 172 LYS CB . 18935 1 1197 . 1 1 172 172 LYS N N 15 116.411 0.3 . 1 . . . A 172 LYS N . 18935 1 1198 . 1 1 173 173 ARG H H 1 6.917 0.020 . 1 . . . A 173 ARG H . 18935 1 1199 . 1 1 173 173 ARG C C 13 172.830 0.3 . 1 . . . A 173 ARG C . 18935 1 1200 . 1 1 173 173 ARG CA C 13 57.175 0.3 . 1 . . . A 173 ARG CA . 18935 1 1201 . 1 1 173 173 ARG CB C 13 28.829 0.3 . 1 . . . A 173 ARG CB . 18935 1 1202 . 1 1 173 173 ARG N N 15 120.490 0.3 . 1 . . . A 173 ARG N . 18935 1 1203 . 1 1 174 174 LEU H H 1 7.024 0.020 . 1 . . . A 174 LEU H . 18935 1 1204 . 1 1 174 174 LEU HD21 H 1 0.763 0.020 . 1 . . . A 174 LEU HD21 . 18935 1 1205 . 1 1 174 174 LEU HD22 H 1 0.763 0.020 . 1 . . . A 174 LEU HD22 . 18935 1 1206 . 1 1 174 174 LEU HD23 H 1 0.763 0.020 . 1 . . . A 174 LEU HD23 . 18935 1 1207 . 1 1 174 174 LEU C C 13 181.020 0.3 . 1 . . . A 174 LEU C . 18935 1 1208 . 1 1 174 174 LEU CA C 13 56.995 0.3 . 1 . . . A 174 LEU CA . 18935 1 1209 . 1 1 174 174 LEU CB C 13 44.282 0.3 . 1 . . . A 174 LEU CB . 18935 1 1210 . 1 1 174 174 LEU CD1 C 13 24.680 0.3 . 1 . . . A 174 LEU CD1 . 18935 1 1211 . 1 1 174 174 LEU CD2 C 13 24.555 0.3 . 1 . . . A 174 LEU CD2 . 18935 1 1212 . 1 1 174 174 LEU N N 15 127.831 0.3 . 1 . . . A 174 LEU N . 18935 1 stop_ save_