data_18933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18933 _Entry.Title ; ASFV Pol X structure ; _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 'SFV Pol X structure' _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 . . . 18933 2 Mei-I Su . . . 18933 3 Ming-Daw Tsai . . . 18933 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' . 18933 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA polymerase' . 18933 NMR . 18933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 18933 '15N chemical shifts' 154 18933 '1H chemical shifts' 154 18933 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' 18933 1 . . 2014-03-31 2013-01-03 original author 'original release' 18933 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18934 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' 18933 BMRB 18935 'Ternary complex of African Swine Fever Virus Pol X with MgdGTP and DNA' 18933 PDB 2M2T 'African Swine Fever Virus Pol X (free form)' 18933 PDB 2M2U 'Binary complex of African Swine Fever Virus Pol X with MgdGTP' 18933 PDB 2M2V 'Ternary complex of African Swine Fever Virus Pol X with DNA and MgdGTP; substrates-bound protein-only structure' 18933 PDB 2M2W 'Ternary complex of African Swine Fever Virus Pol X with DNA and MgdGTP; coordinates of substrates and protein' 18933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18933 _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 . . . 18933 1 2 Mei-I Su . . . 18933 1 3 Jian-Li Wu . . . 18933 1 4 Sandeep Kumar . . . 18933 1 5 Liang-Hin Lim . . . 18933 1 6 'Chun-Wei Eric' Wang . . . 18933 1 7 Frank Nelissen . H.T. . 18933 1 8 'Ming-Chuan Chad' Chen . . . 18933 1 9 Jurgen Doreleijers . F. . 18933 1 10 Sybren Wijmenga . S. . 18933 1 11 Ming-Daw Tsai . . . 18933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18933 _Assembly.ID 1 _Assembly.Name 'ASFV Pol X' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'ASFV Pol X' 1 $entity A . yes native no no . . . 18933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18933 _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 18934 . entity_1 . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 2 no BMRB 18935 . entity . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 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 . . . . 18933 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 . . . . 18933 1 5 no PDB 2M2T . "Asfv Pol X Structure" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 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 . . . . 18933 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 . . . . 18933 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 . . . . 18933 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 . . . . 18933 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 . . . . 18933 1 11 no EMBL CBH29197 . "BA71V-O174L [African swine fever virus E75]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 12 no GB AAA65326 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 13 no GB AIY22288 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 14 no GB AIY22446 . "DNA polymerase beta-like protein [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 15 no GB AKO62778 . "pO174L [African swine fever virus]" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 1 16 no PRF 2113434DC . "DNA polymerase beta-like protein" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 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 . . . . 18933 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 . . . . 18933 1 19 no SP P42494 . "RecName: Full=Repair DNA polymerase X; Short=Pol X" . . . . . 100.00 174 100.00 100.00 1.99e-119 . . . . 18933 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 . 18933 1 2 . LEU . 18933 1 3 . THR . 18933 1 4 . LEU . 18933 1 5 . ILE . 18933 1 6 . GLN . 18933 1 7 . GLY . 18933 1 8 . LYS . 18933 1 9 . LYS . 18933 1 10 . ILE . 18933 1 11 . VAL . 18933 1 12 . ASN . 18933 1 13 . HIS . 18933 1 14 . LEU . 18933 1 15 . ARG . 18933 1 16 . SER . 18933 1 17 . ARG . 18933 1 18 . LEU . 18933 1 19 . ALA . 18933 1 20 . PHE . 18933 1 21 . GLU . 18933 1 22 . TYR . 18933 1 23 . ASN . 18933 1 24 . GLY . 18933 1 25 . GLN . 18933 1 26 . LEU . 18933 1 27 . ILE . 18933 1 28 . LYS . 18933 1 29 . ILE . 18933 1 30 . LEU . 18933 1 31 . SER . 18933 1 32 . LYS . 18933 1 33 . ASN . 18933 1 34 . ILE . 18933 1 35 . VAL . 18933 1 36 . ALA . 18933 1 37 . VAL . 18933 1 38 . GLY . 18933 1 39 . SER . 18933 1 40 . LEU . 18933 1 41 . ARG . 18933 1 42 . ARG . 18933 1 43 . GLU . 18933 1 44 . GLU . 18933 1 45 . LYS . 18933 1 46 . MET . 18933 1 47 . LEU . 18933 1 48 . ASN . 18933 1 49 . ASP . 18933 1 50 . VAL . 18933 1 51 . ASP . 18933 1 52 . LEU . 18933 1 53 . LEU . 18933 1 54 . ILE . 18933 1 55 . ILE . 18933 1 56 . VAL . 18933 1 57 . PRO . 18933 1 58 . GLU . 18933 1 59 . LYS . 18933 1 60 . LYS . 18933 1 61 . LEU . 18933 1 62 . LEU . 18933 1 63 . LYS . 18933 1 64 . HIS . 18933 1 65 . VAL . 18933 1 66 . LEU . 18933 1 67 . PRO . 18933 1 68 . ASN . 18933 1 69 . ILE . 18933 1 70 . ARG . 18933 1 71 . ILE . 18933 1 72 . LYS . 18933 1 73 . GLY . 18933 1 74 . LEU . 18933 1 75 . SER . 18933 1 76 . PHE . 18933 1 77 . SER . 18933 1 78 . VAL . 18933 1 79 . LYS . 18933 1 80 . VAL . 18933 1 81 . CYS . 18933 1 82 . GLY . 18933 1 83 . GLU . 18933 1 84 . ARG . 18933 1 85 . LYS . 18933 1 86 . CYS . 18933 1 87 . VAL . 18933 1 88 . LEU . 18933 1 89 . PHE . 18933 1 90 . ILE . 18933 1 91 . GLU . 18933 1 92 . TRP . 18933 1 93 . GLU . 18933 1 94 . LYS . 18933 1 95 . LYS . 18933 1 96 . THR . 18933 1 97 . TYR . 18933 1 98 . GLN . 18933 1 99 . LEU . 18933 1 100 . ASP . 18933 1 101 . LEU . 18933 1 102 . PHE . 18933 1 103 . THR . 18933 1 104 . ALA . 18933 1 105 . LEU . 18933 1 106 . ALA . 18933 1 107 . GLU . 18933 1 108 . GLU . 18933 1 109 . LYS . 18933 1 110 . PRO . 18933 1 111 . TYR . 18933 1 112 . ALA . 18933 1 113 . ILE . 18933 1 114 . PHE . 18933 1 115 . HIS . 18933 1 116 . PHE . 18933 1 117 . THR . 18933 1 118 . GLY . 18933 1 119 . PRO . 18933 1 120 . VAL . 18933 1 121 . SER . 18933 1 122 . TYR . 18933 1 123 . LEU . 18933 1 124 . ILE . 18933 1 125 . ARG . 18933 1 126 . ILE . 18933 1 127 . ARG . 18933 1 128 . ALA . 18933 1 129 . ALA . 18933 1 130 . LEU . 18933 1 131 . LYS . 18933 1 132 . LYS . 18933 1 133 . LYS . 18933 1 134 . ASN . 18933 1 135 . TYR . 18933 1 136 . LYS . 18933 1 137 . LEU . 18933 1 138 . ASN . 18933 1 139 . GLN . 18933 1 140 . TYR . 18933 1 141 . GLY . 18933 1 142 . LEU . 18933 1 143 . PHE . 18933 1 144 . LYS . 18933 1 145 . ASN . 18933 1 146 . GLN . 18933 1 147 . THR . 18933 1 148 . LEU . 18933 1 149 . VAL . 18933 1 150 . PRO . 18933 1 151 . LEU . 18933 1 152 . LYS . 18933 1 153 . ILE . 18933 1 154 . THR . 18933 1 155 . THR . 18933 1 156 . GLU . 18933 1 157 . LYS . 18933 1 158 . GLU . 18933 1 159 . LEU . 18933 1 160 . ILE . 18933 1 161 . LYS . 18933 1 162 . GLU . 18933 1 163 . LEU . 18933 1 164 . GLY . 18933 1 165 . PHE . 18933 1 166 . THR . 18933 1 167 . TYR . 18933 1 168 . ARG . 18933 1 169 . ILE . 18933 1 170 . PRO . 18933 1 171 . LYS . 18933 1 172 . LYS . 18933 1 173 . ARG . 18933 1 174 . LEU . 18933 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 18933 1 . LEU 2 2 18933 1 . THR 3 3 18933 1 . LEU 4 4 18933 1 . ILE 5 5 18933 1 . GLN 6 6 18933 1 . GLY 7 7 18933 1 . LYS 8 8 18933 1 . LYS 9 9 18933 1 . ILE 10 10 18933 1 . VAL 11 11 18933 1 . ASN 12 12 18933 1 . HIS 13 13 18933 1 . LEU 14 14 18933 1 . ARG 15 15 18933 1 . SER 16 16 18933 1 . ARG 17 17 18933 1 . LEU 18 18 18933 1 . ALA 19 19 18933 1 . PHE 20 20 18933 1 . GLU 21 21 18933 1 . TYR 22 22 18933 1 . ASN 23 23 18933 1 . GLY 24 24 18933 1 . GLN 25 25 18933 1 . LEU 26 26 18933 1 . ILE 27 27 18933 1 . LYS 28 28 18933 1 . ILE 29 29 18933 1 . LEU 30 30 18933 1 . SER 31 31 18933 1 . LYS 32 32 18933 1 . ASN 33 33 18933 1 . ILE 34 34 18933 1 . VAL 35 35 18933 1 . ALA 36 36 18933 1 . VAL 37 37 18933 1 . GLY 38 38 18933 1 . SER 39 39 18933 1 . LEU 40 40 18933 1 . ARG 41 41 18933 1 . ARG 42 42 18933 1 . GLU 43 43 18933 1 . GLU 44 44 18933 1 . LYS 45 45 18933 1 . MET 46 46 18933 1 . LEU 47 47 18933 1 . ASN 48 48 18933 1 . ASP 49 49 18933 1 . VAL 50 50 18933 1 . ASP 51 51 18933 1 . LEU 52 52 18933 1 . LEU 53 53 18933 1 . ILE 54 54 18933 1 . ILE 55 55 18933 1 . VAL 56 56 18933 1 . PRO 57 57 18933 1 . GLU 58 58 18933 1 . LYS 59 59 18933 1 . LYS 60 60 18933 1 . LEU 61 61 18933 1 . LEU 62 62 18933 1 . LYS 63 63 18933 1 . HIS 64 64 18933 1 . VAL 65 65 18933 1 . LEU 66 66 18933 1 . PRO 67 67 18933 1 . ASN 68 68 18933 1 . ILE 69 69 18933 1 . ARG 70 70 18933 1 . ILE 71 71 18933 1 . LYS 72 72 18933 1 . GLY 73 73 18933 1 . LEU 74 74 18933 1 . SER 75 75 18933 1 . PHE 76 76 18933 1 . SER 77 77 18933 1 . VAL 78 78 18933 1 . LYS 79 79 18933 1 . VAL 80 80 18933 1 . CYS 81 81 18933 1 . GLY 82 82 18933 1 . GLU 83 83 18933 1 . ARG 84 84 18933 1 . LYS 85 85 18933 1 . CYS 86 86 18933 1 . VAL 87 87 18933 1 . LEU 88 88 18933 1 . PHE 89 89 18933 1 . ILE 90 90 18933 1 . GLU 91 91 18933 1 . TRP 92 92 18933 1 . GLU 93 93 18933 1 . LYS 94 94 18933 1 . LYS 95 95 18933 1 . THR 96 96 18933 1 . TYR 97 97 18933 1 . GLN 98 98 18933 1 . LEU 99 99 18933 1 . ASP 100 100 18933 1 . LEU 101 101 18933 1 . PHE 102 102 18933 1 . THR 103 103 18933 1 . ALA 104 104 18933 1 . LEU 105 105 18933 1 . ALA 106 106 18933 1 . GLU 107 107 18933 1 . GLU 108 108 18933 1 . LYS 109 109 18933 1 . PRO 110 110 18933 1 . TYR 111 111 18933 1 . ALA 112 112 18933 1 . ILE 113 113 18933 1 . PHE 114 114 18933 1 . HIS 115 115 18933 1 . PHE 116 116 18933 1 . THR 117 117 18933 1 . GLY 118 118 18933 1 . PRO 119 119 18933 1 . VAL 120 120 18933 1 . SER 121 121 18933 1 . TYR 122 122 18933 1 . LEU 123 123 18933 1 . ILE 124 124 18933 1 . ARG 125 125 18933 1 . ILE 126 126 18933 1 . ARG 127 127 18933 1 . ALA 128 128 18933 1 . ALA 129 129 18933 1 . LEU 130 130 18933 1 . LYS 131 131 18933 1 . LYS 132 132 18933 1 . LYS 133 133 18933 1 . ASN 134 134 18933 1 . TYR 135 135 18933 1 . LYS 136 136 18933 1 . LEU 137 137 18933 1 . ASN 138 138 18933 1 . GLN 139 139 18933 1 . TYR 140 140 18933 1 . GLY 141 141 18933 1 . LEU 142 142 18933 1 . PHE 143 143 18933 1 . LYS 144 144 18933 1 . ASN 145 145 18933 1 . GLN 146 146 18933 1 . THR 147 147 18933 1 . LEU 148 148 18933 1 . VAL 149 149 18933 1 . PRO 150 150 18933 1 . LEU 151 151 18933 1 . LYS 152 152 18933 1 . ILE 153 153 18933 1 . THR 154 154 18933 1 . THR 155 155 18933 1 . GLU 156 156 18933 1 . LYS 157 157 18933 1 . GLU 158 158 18933 1 . LEU 159 159 18933 1 . ILE 160 160 18933 1 . LYS 161 161 18933 1 . GLU 162 162 18933 1 . LEU 163 163 18933 1 . GLY 164 164 18933 1 . PHE 165 165 18933 1 . THR 166 166 18933 1 . TYR 167 167 18933 1 . ARG 168 168 18933 1 . ILE 169 169 18933 1 . PRO 170 170 18933 1 . LYS 171 171 18933 1 . LYS 172 172 18933 1 . ARG 173 173 18933 1 . LEU 174 174 18933 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18933 _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' . . . . . . . . . . . . . . . . . . . . . 18933 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 18933 _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 . . . . . . 18933 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18933 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity . . 1.0 . . mM . . . . 18933 1 2 DTT [U-2H] . . . . . . 10 . . mM . . . . 18933 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18933 1 4 borate 'natural abundance' . . . . . . 50 . . mM . . . . 18933 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18933 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 18933 2 2 DTT [U-2H] . . . . . . 10 . . mM . . . . 18933 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18933 2 4 borate 'natural abundance' . . . . . . 50 . . mM . . . . 18933 2 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 18933 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 18933 1 pH 6.5 . pH 18933 1 pressure 1 . atm 18933 1 temperature 293 . K 18933 1 stop_ save_ ############################ # Computer software used # ############################ save_Haddock _Software.Sf_category software _Software.Sf_framecode Haddock _Software.Entry_ID 18933 _Software.ID 1 _Software.Name HADDOCK _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Alexandre Bonvin' . . 18933 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18933 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18933 _Software.ID 2 _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' . . 18933 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18933 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 18933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18933 _NMR_spectrometer.ID 2 _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 18933 _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 . 800 . . . 18933 1 2 spectrometer_2 Bruker Avance . 600 . . . 18933 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 18933 _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 . . . . . . . . . . . . . . . . . . . . . 18933 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18933 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 18933 _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 . . . . . . . . . 18933 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18933 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18933 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 18933 _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' . . . 18933 1 2 '2D 1H-13C HSQC' . . . 18933 1 3 '3D HNCO' . . . 18933 1 4 '3D HNCA' . . . 18933 1 5 '3D HNCACB' . . . 18933 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 8.756 0.020 . 1 . . . A 2 LEU H . 18933 1 2 . 1 1 2 2 LEU C C 13 175.742 0.3 . 1 . . . A 2 LEU C . 18933 1 3 . 1 1 2 2 LEU CA C 13 54.134 0.3 . 1 . . . A 2 LEU CA . 18933 1 4 . 1 1 2 2 LEU CB C 13 42.842 0.3 . 1 . . . A 2 LEU CB . 18933 1 5 . 1 1 2 2 LEU N N 15 122.812 0.3 . 1 . . . A 2 LEU N . 18933 1 6 . 1 1 3 3 THR H H 1 8.428 0.020 . 1 . . . A 3 THR H . 18933 1 7 . 1 1 3 3 THR C C 13 175.938 0.3 . 1 . . . A 3 THR C . 18933 1 8 . 1 1 3 3 THR CA C 13 60.550 0.3 . 1 . . . A 3 THR CA . 18933 1 9 . 1 1 3 3 THR CB C 13 70.781 0.3 . 1 . . . A 3 THR CB . 18933 1 10 . 1 1 3 3 THR N N 15 113.000 0.3 . 1 . . . A 3 THR N . 18933 1 11 . 1 1 4 4 LEU H H 1 7.731 0.020 . 1 . . . A 4 LEU H . 18933 1 12 . 1 1 4 4 LEU C C 13 178.463 0.3 . 1 . . . A 4 LEU C . 18933 1 13 . 1 1 4 4 LEU CA C 13 58.129 0.3 . 1 . . . A 4 LEU CA . 18933 1 14 . 1 1 4 4 LEU CB C 13 39.534 0.3 . 1 . . . A 4 LEU CB . 18933 1 15 . 1 1 4 4 LEU N N 15 122.531 0.3 . 1 . . . A 4 LEU N . 18933 1 16 . 1 1 5 5 ILE H H 1 7.645 0.020 . 1 . . . A 5 ILE H . 18933 1 17 . 1 1 5 5 ILE C C 13 178.573 0.3 . 1 . . . A 5 ILE C . 18933 1 18 . 1 1 5 5 ILE CA C 13 63.738 0.3 . 1 . . . A 5 ILE CA . 18933 1 19 . 1 1 5 5 ILE CB C 13 36.872 0.3 . 1 . . . A 5 ILE CB . 18933 1 20 . 1 1 5 5 ILE N N 15 115.505 0.3 . 1 . . . A 5 ILE N . 18933 1 21 . 1 1 6 6 GLN H H 1 7.645 0.020 . 1 . . . A 6 GLN H . 18933 1 22 . 1 1 6 6 GLN C C 13 179.014 0.3 . 1 . . . A 6 GLN C . 18933 1 23 . 1 1 6 6 GLN CA C 13 58.331 0.3 . 1 . . . A 6 GLN CA . 18933 1 24 . 1 1 6 6 GLN CB C 13 28.189 0.3 . 1 . . . A 6 GLN CB . 18933 1 25 . 1 1 6 6 GLN N N 15 121.626 0.3 . 1 . . . A 6 GLN N . 18933 1 26 . 1 1 7 7 GLY H H 1 8.660 0.020 . 1 . . . A 7 GLY H . 18933 1 27 . 1 1 7 7 GLY C C 13 174.749 0.3 . 1 . . . A 7 GLY C . 18933 1 28 . 1 1 7 7 GLY CA C 13 46.790 0.3 . 1 . . . A 7 GLY CA . 18933 1 29 . 1 1 7 7 GLY N N 15 107.684 0.3 . 1 . . . A 7 GLY N . 18933 1 30 . 1 1 8 8 LYS H H 1 8.518 0.020 . 1 . . . A 8 LYS H . 18933 1 31 . 1 1 8 8 LYS C C 13 179.455 0.3 . 1 . . . A 8 LYS C . 18933 1 32 . 1 1 8 8 LYS CA C 13 59.905 0.3 . 1 . . . A 8 LYS CA . 18933 1 33 . 1 1 8 8 LYS CB C 13 31.422 0.3 . 1 . . . A 8 LYS CB . 18933 1 34 . 1 1 8 8 LYS N N 15 120.942 0.3 . 1 . . . A 8 LYS N . 18933 1 35 . 1 1 9 9 LYS H H 1 7.731 0.020 . 1 . . . A 9 LYS H . 18933 1 36 . 1 1 9 9 LYS C C 13 179.823 0.3 . 1 . . . A 9 LYS C . 18933 1 37 . 1 1 9 9 LYS CA C 13 59.622 0.3 . 1 . . . A 9 LYS CA . 18933 1 38 . 1 1 9 9 LYS CB C 13 31.295 0.3 . 1 . . . A 9 LYS CB . 18933 1 39 . 1 1 9 9 LYS N N 15 120.710 0.3 . 1 . . . A 9 LYS N . 18933 1 40 . 1 1 10 10 ILE H H 1 7.711 0.020 . 1 . . . A 10 ILE H . 18933 1 41 . 1 1 10 10 ILE C C 13 177.789 0.3 . 1 . . . A 10 ILE C . 18933 1 42 . 1 1 10 10 ILE CA C 13 64.465 0.3 . 1 . . . A 10 ILE CA . 18933 1 43 . 1 1 10 10 ILE CB C 13 36.365 0.3 . 1 . . . A 10 ILE CB . 18933 1 44 . 1 1 10 10 ILE N N 15 121.345 0.3 . 1 . . . A 10 ILE N . 18933 1 45 . 1 1 11 11 VAL H H 1 7.918 0.020 . 1 . . . A 11 VAL H . 18933 1 46 . 1 1 11 11 VAL C C 13 177.372 0.3 . 1 . . . A 11 VAL C . 18933 1 47 . 1 1 11 11 VAL CA C 13 67.451 0.3 . 1 . . . A 11 VAL CA . 18933 1 48 . 1 1 11 11 VAL CB C 13 30.534 0.3 . 1 . . . A 11 VAL CB . 18933 1 49 . 1 1 11 11 VAL N N 15 120.258 0.3 . 1 . . . A 11 VAL N . 18933 1 50 . 1 1 12 12 ASN H H 1 7.993 0.020 . 1 . . . A 12 ASN H . 18933 1 51 . 1 1 12 12 ASN C C 13 177.445 0.3 . 1 . . . A 12 ASN C . 18933 1 52 . 1 1 12 12 ASN CA C 13 56.112 0.3 . 1 . . . A 12 ASN CA . 18933 1 53 . 1 1 12 12 ASN CB C 13 37.633 0.3 . 1 . . . A 12 ASN CB . 18933 1 54 . 1 1 12 12 ASN N N 15 116.971 0.3 . 1 . . . A 12 ASN N . 18933 1 55 . 1 1 13 13 HIS H H 1 7.741 0.020 . 1 . . . A 13 HIS H . 18933 1 56 . 1 1 13 13 HIS C C 13 177.862 0.3 . 1 . . . A 13 HIS C . 18933 1 57 . 1 1 13 13 HIS CA C 13 59.098 0.3 . 1 . . . A 13 HIS CA . 18933 1 58 . 1 1 13 13 HIS CB C 13 31.232 0.3 . 1 . . . A 13 HIS CB . 18933 1 59 . 1 1 13 13 HIS N N 15 120.258 0.3 . 1 . . . A 13 HIS N . 18933 1 60 . 1 1 14 14 LEU H H 1 8.221 0.020 . 1 . . . A 14 LEU H . 18933 1 61 . 1 1 14 14 LEU C C 13 179.186 0.3 . 1 . . . A 14 LEU C . 18933 1 62 . 1 1 14 14 LEU CA C 13 56.757 0.3 . 1 . . . A 14 LEU CA . 18933 1 63 . 1 1 14 14 LEU CB C 13 41.119 0.3 . 1 . . . A 14 LEU CB . 18933 1 64 . 1 1 14 14 LEU N N 15 116.641 0.3 . 1 . . . A 14 LEU N . 18933 1 65 . 1 1 15 15 ARG H H 1 7.968 0.020 . 1 . . . A 15 ARG H . 18933 1 66 . 1 1 15 15 ARG C C 13 176.330 0.3 . 1 . . . A 15 ARG C . 18933 1 67 . 1 1 15 15 ARG CA C 13 59.703 0.3 . 1 . . . A 15 ARG CA . 18933 1 68 . 1 1 15 15 ARG CB C 13 29.077 0.3 . 1 . . . A 15 ARG CB . 18933 1 69 . 1 1 15 15 ARG N N 15 115.957 0.3 . 1 . . . A 15 ARG N . 18933 1 70 . 1 1 16 16 SER H H 1 6.963 0.020 . 1 . . . A 16 SER H . 18933 1 71 . 1 1 16 16 SER C C 13 176.024 0.3 . 1 . . . A 16 SER C . 18933 1 72 . 1 1 16 16 SER CA C 13 57.282 0.3 . 1 . . . A 16 SER CA . 18933 1 73 . 1 1 16 16 SER CB C 13 63.683 0.3 . 1 . . . A 16 SER CB . 18933 1 74 . 1 1 16 16 SER N N 15 109.395 0.3 . 1 . . . A 16 SER N . 18933 1 75 . 1 1 17 17 ARG H H 1 7.781 0.020 . 1 . . . A 17 ARG H . 18933 1 76 . 1 1 17 17 ARG C C 13 174.590 0.3 . 1 . . . A 17 ARG C . 18933 1 77 . 1 1 17 17 ARG CA C 13 56.273 0.3 . 1 . . . A 17 ARG CA . 18933 1 78 . 1 1 17 17 ARG CB C 13 31.802 0.3 . 1 . . . A 17 ARG CB . 18933 1 79 . 1 1 17 17 ARG N N 15 122.775 0.3 . 1 . . . A 17 ARG N . 18933 1 80 . 1 1 18 18 LEU H H 1 8.650 0.020 . 1 . . . A 18 LEU H . 18933 1 81 . 1 1 18 18 LEU C C 13 176.281 0.3 . 1 . . . A 18 LEU C . 18933 1 82 . 1 1 18 18 LEU CA C 13 54.780 0.3 . 1 . . . A 18 LEU CA . 18933 1 83 . 1 1 18 18 LEU CB C 13 43.211 0.3 . 1 . . . A 18 LEU CB . 18933 1 84 . 1 1 18 18 LEU N N 15 122.421 0.3 . 1 . . . A 18 LEU N . 18933 1 85 . 1 1 19 19 ALA H H 1 8.609 0.020 . 1 . . . A 19 ALA H . 18933 1 86 . 1 1 19 19 ALA C C 13 173.904 0.3 . 1 . . . A 19 ALA C . 18933 1 87 . 1 1 19 19 ALA CA C 13 50.866 0.3 . 1 . . . A 19 ALA CA . 18933 1 88 . 1 1 19 19 ALA CB C 13 22.865 0.3 . 1 . . . A 19 ALA CB . 18933 1 89 . 1 1 19 19 ALA N N 15 126.441 0.3 . 1 . . . A 19 ALA N . 18933 1 90 . 1 1 20 20 PHE H H 1 8.801 0.020 . 1 . . . A 20 PHE H . 18933 1 91 . 1 1 20 20 PHE C C 13 172.592 0.3 . 1 . . . A 20 PHE C . 18933 1 92 . 1 1 20 20 PHE CA C 13 55.789 0.3 . 1 . . . A 20 PHE CA . 18933 1 93 . 1 1 20 20 PHE CB C 13 41.689 0.3 . 1 . . . A 20 PHE CB . 18933 1 94 . 1 1 20 20 PHE N N 15 114.600 0.3 . 1 . . . A 20 PHE N . 18933 1 95 . 1 1 21 21 GLU H H 1 7.847 0.020 . 1 . . . A 21 GLU H . 18933 1 96 . 1 1 21 21 GLU C C 13 174.872 0.3 . 1 . . . A 21 GLU C . 18933 1 97 . 1 1 21 21 GLU CA C 13 55.062 0.3 . 1 . . . A 21 GLU CA . 18933 1 98 . 1 1 21 21 GLU CB C 13 30.725 0.3 . 1 . . . A 21 GLU CB . 18933 1 99 . 1 1 21 21 GLU N N 15 122.873 0.3 . 1 . . . A 21 GLU N . 18933 1 100 . 1 1 22 22 TYR H H 1 8.806 0.020 . 1 . . . A 22 TYR H . 18933 1 101 . 1 1 22 22 TYR C C 13 174.872 0.3 . 1 . . . A 22 TYR C . 18933 1 102 . 1 1 22 22 TYR CA C 13 55.748 0.3 . 1 . . . A 22 TYR CA . 18933 1 103 . 1 1 22 22 TYR CB C 13 40.105 0.3 . 1 . . . A 22 TYR CB . 18933 1 104 . 1 1 22 22 TYR N N 15 126.270 0.3 . 1 . . . A 22 TYR N . 18933 1 105 . 1 1 23 23 ASN H H 1 8.943 0.020 . 1 . . . A 23 ASN H . 18933 1 106 . 1 1 23 23 ASN C C 13 175.435 0.3 . 1 . . . A 23 ASN C . 18933 1 107 . 1 1 23 23 ASN CA C 13 53.005 0.3 . 1 . . . A 23 ASN CA . 18933 1 108 . 1 1 23 23 ASN CB C 13 36.365 0.3 . 1 . . . A 23 ASN CB . 18933 1 109 . 1 1 23 23 ASN N N 15 128.420 0.3 . 1 . . . A 23 ASN N . 18933 1 110 . 1 1 24 24 GLY H H 1 8.534 0.020 . 1 . . . A 24 GLY H . 18933 1 111 . 1 1 24 24 GLY C C 13 173.707 0.3 . 1 . . . A 24 GLY C . 18933 1 112 . 1 1 24 24 GLY CA C 13 44.934 0.3 . 1 . . . A 24 GLY CA . 18933 1 113 . 1 1 24 24 GLY N N 15 104.067 0.3 . 1 . . . A 24 GLY N . 18933 1 114 . 1 1 25 25 GLN H H 1 7.595 0.020 . 1 . . . A 25 GLN H . 18933 1 115 . 1 1 25 25 GLN C C 13 173.744 0.3 . 1 . . . A 25 GLN C . 18933 1 116 . 1 1 25 25 GLN CA C 13 53.327 0.3 . 1 . . . A 25 GLN CA . 18933 1 117 . 1 1 25 25 GLN CB C 13 30.661 0.3 . 1 . . . A 25 GLN CB . 18933 1 118 . 1 1 25 25 GLN N N 15 120.038 0.3 . 1 . . . A 25 GLN N . 18933 1 119 . 1 1 26 26 LEU H H 1 8.382 0.020 . 1 . . . A 26 LEU H . 18933 1 120 . 1 1 26 26 LEU C C 13 175.987 0.3 . 1 . . . A 26 LEU C . 18933 1 121 . 1 1 26 26 LEU CA C 13 54.013 0.3 . 1 . . . A 26 LEU CA . 18933 1 122 . 1 1 26 26 LEU CB C 13 40.865 0.3 . 1 . . . A 26 LEU CB . 18933 1 123 . 1 1 26 26 LEU N N 15 124.681 0.3 . 1 . . . A 26 LEU N . 18933 1 124 . 1 1 27 27 ILE H H 1 8.882 0.020 . 1 . . . A 27 ILE H . 18933 1 125 . 1 1 27 27 ILE C C 13 175.215 0.3 . 1 . . . A 27 ILE C . 18933 1 126 . 1 1 27 27 ILE CA C 13 59.259 0.3 . 1 . . . A 27 ILE CA . 18933 1 127 . 1 1 27 27 ILE CB C 13 35.732 0.3 . 1 . . . A 27 ILE CB . 18933 1 128 . 1 1 27 27 ILE N N 15 130.779 0.3 . 1 . . . A 27 ILE N . 18933 1 129 . 1 1 28 28 LYS H H 1 8.165 0.020 . 1 . . . A 28 LYS H . 18933 1 130 . 1 1 28 28 LYS C C 13 176.771 0.3 . 1 . . . A 28 LYS C . 18933 1 131 . 1 1 28 28 LYS CA C 13 56.838 0.3 . 1 . . . A 28 LYS CA . 18933 1 132 . 1 1 28 28 LYS CB C 13 31.739 0.3 . 1 . . . A 28 LYS CB . 18933 1 133 . 1 1 28 28 LYS N N 15 126.160 0.3 . 1 . . . A 28 LYS N . 18933 1 134 . 1 1 29 29 ILE H H 1 8.019 0.020 . 1 . . . A 29 ILE H . 18933 1 135 . 1 1 29 29 ILE C C 13 175.877 0.3 . 1 . . . A 29 ILE C . 18933 1 136 . 1 1 29 29 ILE CA C 13 60.308 0.3 . 1 . . . A 29 ILE CA . 18933 1 137 . 1 1 29 29 ILE CB C 13 37.063 0.3 . 1 . . . A 29 ILE CB . 18933 1 138 . 1 1 29 29 ILE N N 15 126.380 0.3 . 1 . . . A 29 ILE N . 18933 1 139 . 1 1 30 30 LEU H H 1 8.917 0.020 . 1 . . . A 30 LEU H . 18933 1 140 . 1 1 30 30 LEU C C 13 178.867 0.3 . 1 . . . A 30 LEU C . 18933 1 141 . 1 1 30 30 LEU CA C 13 54.619 0.3 . 1 . . . A 30 LEU CA . 18933 1 142 . 1 1 30 30 LEU CB C 13 40.865 0.3 . 1 . . . A 30 LEU CB . 18933 1 143 . 1 1 30 30 LEU N N 15 129.215 0.3 . 1 . . . A 30 LEU N . 18933 1 144 . 1 1 31 31 SER H H 1 8.594 0.020 . 1 . . . A 31 SER H . 18933 1 145 . 1 1 31 31 SER C C 13 177.396 0.3 . 1 . . . A 31 SER C . 18933 1 146 . 1 1 31 31 SER CA C 13 61.236 0.3 . 1 . . . A 31 SER CA . 18933 1 147 . 1 1 31 31 SER CB C 13 62.035 0.3 . 1 . . . A 31 SER CB . 18933 1 148 . 1 1 31 31 SER N N 15 117.997 0.3 . 1 . . . A 31 SER N . 18933 1 149 . 1 1 32 32 LYS H H 1 8.029 0.020 . 1 . . . A 32 LYS H . 18933 1 150 . 1 1 32 32 LYS C C 13 176.244 0.3 . 1 . . . A 32 LYS C . 18933 1 151 . 1 1 32 32 LYS CA C 13 57.403 0.3 . 1 . . . A 32 LYS CA . 18933 1 152 . 1 1 32 32 LYS CB C 13 30.281 0.3 . 1 . . . A 32 LYS CB . 18933 1 153 . 1 1 32 32 LYS N N 15 116.189 0.3 . 1 . . . A 32 LYS N . 18933 1 154 . 1 1 33 33 ASN H H 1 7.902 0.020 . 1 . . . A 33 ASN H . 18933 1 155 . 1 1 33 33 ASN C C 13 172.384 0.3 . 1 . . . A 33 ASN C . 18933 1 156 . 1 1 33 33 ASN CA C 13 52.157 0.3 . 1 . . . A 33 ASN CA . 18933 1 157 . 1 1 33 33 ASN CB C 13 38.267 0.3 . 1 . . . A 33 ASN CB . 18933 1 158 . 1 1 33 33 ASN N N 15 119.061 0.3 . 1 . . . A 33 ASN N . 18933 1 159 . 1 1 34 34 ILE H H 1 7.443 0.020 . 1 . . . A 34 ILE H . 18933 1 160 . 1 1 34 34 ILE C C 13 175.607 0.3 . 1 . . . A 34 ILE C . 18933 1 161 . 1 1 34 34 ILE CA C 13 60.550 0.3 . 1 . . . A 34 ILE CA . 18933 1 162 . 1 1 34 34 ILE CB C 13 38.964 0.3 . 1 . . . A 34 ILE CB . 18933 1 163 . 1 1 34 34 ILE N N 15 120.038 0.3 . 1 . . . A 34 ILE N . 18933 1 164 . 1 1 35 35 VAL H H 1 9.533 0.020 . 1 . . . A 35 VAL H . 18933 1 165 . 1 1 35 35 VAL C C 13 175.386 0.3 . 1 . . . A 35 VAL C . 18933 1 166 . 1 1 35 35 VAL CA C 13 60.026 0.3 . 1 . . . A 35 VAL CA . 18933 1 167 . 1 1 35 35 VAL CB C 13 34.781 0.3 . 1 . . . A 35 VAL CB . 18933 1 168 . 1 1 35 35 VAL N N 15 129.435 0.3 . 1 . . . A 35 VAL N . 18933 1 169 . 1 1 36 36 ALA H H 1 8.665 0.020 . 1 . . . A 36 ALA H . 18933 1 170 . 1 1 36 36 ALA C C 13 177.347 0.3 . 1 . . . A 36 ALA C . 18933 1 171 . 1 1 36 36 ALA CA C 13 52.399 0.3 . 1 . . . A 36 ALA CA . 18933 1 172 . 1 1 36 36 ALA CB C 13 17.858 0.3 . 1 . . . A 36 ALA CB . 18933 1 173 . 1 1 36 36 ALA N N 15 130.571 0.3 . 1 . . . A 36 ALA N . 18933 1 174 . 1 1 37 37 VAL H H 1 8.079 0.020 . 1 . . . A 37 VAL H . 18933 1 175 . 1 1 37 37 VAL C C 13 174.455 0.3 . 1 . . . A 37 VAL C . 18933 1 176 . 1 1 37 37 VAL CA C 13 59.380 0.3 . 1 . . . A 37 VAL CA . 18933 1 177 . 1 1 37 37 VAL CB C 13 32.943 0.3 . 1 . . . A 37 VAL CB . 18933 1 178 . 1 1 37 37 VAL N N 15 115.395 0.3 . 1 . . . A 37 VAL N . 18933 1 179 . 1 1 38 38 GLY H H 1 7.579 0.020 . 1 . . . A 38 GLY H . 18933 1 180 . 1 1 38 38 GLY C C 13 173.364 0.3 . 1 . . . A 38 GLY C . 18933 1 181 . 1 1 38 38 GLY CA C 13 46.185 0.3 . 1 . . . A 38 GLY CA . 18933 1 182 . 1 1 38 38 GLY N N 15 107.672 0.3 . 1 . . . A 38 GLY N . 18933 1 183 . 1 1 39 39 SER H H 1 8.953 0.020 . 1 . . . A 39 SER H . 18933 1 184 . 1 1 39 39 SER C C 13 175.570 0.3 . 1 . . . A 39 SER C . 18933 1 185 . 1 1 39 39 SER CA C 13 61.801 0.3 . 1 . . . A 39 SER CA . 18933 1 186 . 1 1 39 39 SER CB C 13 62.478 0.3 . 1 . . . A 39 SER CB . 18933 1 187 . 1 1 39 39 SER N N 15 121.052 0.3 . 1 . . . A 39 SER N . 18933 1 188 . 1 1 40 40 LEU H H 1 8.195 0.020 . 1 . . . A 40 LEU H . 18933 1 189 . 1 1 40 40 LEU C C 13 180.203 0.3 . 1 . . . A 40 LEU C . 18933 1 190 . 1 1 40 40 LEU CA C 13 58.129 0.3 . 1 . . . A 40 LEU CA . 18933 1 191 . 1 1 40 40 LEU CB C 13 41.753 0.3 . 1 . . . A 40 LEU CB . 18933 1 192 . 1 1 40 40 LEU N N 15 121.553 0.3 . 1 . . . A 40 LEU N . 18933 1 193 . 1 1 41 41 ARG H H 1 6.873 0.020 . 1 . . . A 41 ARG H . 18933 1 194 . 1 1 41 41 ARG C C 13 177.323 0.3 . 1 . . . A 41 ARG C . 18933 1 195 . 1 1 41 41 ARG CA C 13 58.331 0.3 . 1 . . . A 41 ARG CA . 18933 1 196 . 1 1 41 41 ARG CB C 13 28.443 0.3 . 1 . . . A 41 ARG CB . 18933 1 197 . 1 1 41 41 ARG N N 15 121.956 0.3 . 1 . . . A 41 ARG N . 18933 1 198 . 1 1 42 42 ARG H H 1 7.438 0.020 . 1 . . . A 42 ARG H . 18933 1 199 . 1 1 42 42 ARG C C 13 172.911 0.3 . 1 . . . A 42 ARG C . 18933 1 200 . 1 1 42 42 ARG CA C 13 57.242 0.3 . 1 . . . A 42 ARG CA . 18933 1 201 . 1 1 42 42 ARG CB C 13 29.140 0.3 . 1 . . . A 42 ARG CB . 18933 1 202 . 1 1 42 42 ARG N N 15 114.600 0.3 . 1 . . . A 42 ARG N . 18933 1 203 . 1 1 43 43 GLU H H 1 7.564 0.020 . 1 . . . A 43 GLU H . 18933 1 204 . 1 1 43 43 GLU C C 13 175.999 0.3 . 1 . . . A 43 GLU C . 18933 1 205 . 1 1 43 43 GLU CA C 13 56.556 0.3 . 1 . . . A 43 GLU CA . 18933 1 206 . 1 1 43 43 GLU CB C 13 25.337 0.3 . 1 . . . A 43 GLU CB . 18933 1 207 . 1 1 43 43 GLU N N 15 113.354 0.3 . 1 . . . A 43 GLU N . 18933 1 208 . 1 1 44 44 GLU H H 1 7.261 0.020 . 1 . . . A 44 GLU H . 18933 1 209 . 1 1 44 44 GLU C C 13 175.423 0.3 . 1 . . . A 44 GLU C . 18933 1 210 . 1 1 44 44 GLU CA C 13 56.838 0.3 . 1 . . . A 44 GLU CA . 18933 1 211 . 1 1 44 44 GLU CB C 13 28.696 0.3 . 1 . . . A 44 GLU CB . 18933 1 212 . 1 1 44 44 GLU N N 15 119.696 0.3 . 1 . . . A 44 GLU N . 18933 1 213 . 1 1 45 45 LYS H H 1 7.938 0.020 . 1 . . . A 45 LYS H . 18933 1 214 . 1 1 45 45 LYS C C 13 177.715 0.3 . 1 . . . A 45 LYS C . 18933 1 215 . 1 1 45 45 LYS CA C 13 59.219 0.3 . 1 . . . A 45 LYS CA . 18933 1 216 . 1 1 45 45 LYS CB C 13 32.119 0.3 . 1 . . . A 45 LYS CB . 18933 1 217 . 1 1 45 45 LYS N N 15 117.435 0.3 . 1 . . . A 45 LYS N . 18933 1 218 . 1 1 46 46 MET H H 1 7.595 0.020 . 1 . . . A 46 MET H . 18933 1 219 . 1 1 46 46 MET CA C 13 52.520 0.3 . 1 . . . A 46 MET CA . 18933 1 220 . 1 1 46 46 MET CB C 13 33.450 0.3 . 1 . . . A 46 MET CB . 18933 1 221 . 1 1 46 46 MET N N 15 115.847 0.3 . 1 . . . A 46 MET N . 18933 1 222 . 1 1 47 47 LEU H H 1 9.220 0.020 . 1 . . . A 47 LEU H . 18933 1 223 . 1 1 47 47 LEU CA C 13 53.126 0.3 . 1 . . . A 47 LEU CA . 18933 1 224 . 1 1 47 47 LEU CB C 13 43.070 0.3 . 1 . . . A 47 LEU CB . 18933 1 225 . 1 1 47 47 LEU N N 15 121.627 0.3 . 1 . . . A 47 LEU N . 18933 1 226 . 1 1 49 49 ASP H H 1 7.761 0.020 . 1 . . . A 49 ASP H . 18933 1 227 . 1 1 49 49 ASP C C 13 173.340 0.3 . 1 . . . A 49 ASP C . 18933 1 228 . 1 1 49 49 ASP CA C 13 51.794 0.3 . 1 . . . A 49 ASP CA . 18933 1 229 . 1 1 49 49 ASP CB C 13 43.006 0.3 . 1 . . . A 49 ASP CB . 18933 1 230 . 1 1 49 49 ASP N N 15 117.093 0.3 . 1 . . . A 49 ASP N . 18933 1 231 . 1 1 50 50 VAL H H 1 8.089 0.020 . 1 . . . A 50 VAL H . 18933 1 232 . 1 1 50 50 VAL C C 13 173.070 0.3 . 1 . . . A 50 VAL C . 18933 1 233 . 1 1 50 50 VAL CA C 13 61.842 0.3 . 1 . . . A 50 VAL CA . 18933 1 234 . 1 1 50 50 VAL CB C 13 32.563 0.3 . 1 . . . A 50 VAL CB . 18933 1 235 . 1 1 50 50 VAL N N 15 119.012 0.3 . 1 . . . A 50 VAL N . 18933 1 236 . 1 1 51 51 ASP H H 1 8.069 0.020 . 1 . . . A 51 ASP H . 18933 1 237 . 1 1 51 51 ASP C C 13 174.565 0.3 . 1 . . . A 51 ASP C . 18933 1 238 . 1 1 51 51 ASP CA C 13 52.157 0.3 . 1 . . . A 51 ASP CA . 18933 1 239 . 1 1 51 51 ASP CB C 13 42.640 0.3 . 1 . . . A 51 ASP CB . 18933 1 240 . 1 1 51 51 ASP N N 15 127.064 0.3 . 1 . . . A 51 ASP N . 18933 1 241 . 1 1 52 52 LEU H H 1 8.852 0.020 . 1 . . . A 52 LEU H . 18933 1 242 . 1 1 52 52 LEU C C 13 174.063 0.3 . 1 . . . A 52 LEU C . 18933 1 243 . 1 1 52 52 LEU CA C 13 52.682 0.3 . 1 . . . A 52 LEU CA . 18933 1 244 . 1 1 52 52 LEU CB C 13 44.351 0.3 . 1 . . . A 52 LEU CB . 18933 1 245 . 1 1 52 52 LEU N N 15 121.627 0.3 . 1 . . . A 52 LEU N . 18933 1 246 . 1 1 53 53 LEU H H 1 9.362 0.020 . 1 . . . A 53 LEU H . 18933 1 247 . 1 1 53 53 LEU CA C 13 55.991 0.3 . 1 . . . A 53 LEU CA . 18933 1 248 . 1 1 53 53 LEU CB C 13 42.133 0.3 . 1 . . . A 53 LEU CB . 18933 1 249 . 1 1 53 53 LEU N N 15 123.093 0.3 . 1 . . . A 53 LEU N . 18933 1 250 . 1 1 54 54 ILE H H 1 8.907 0.020 . 1 . . . A 54 ILE H . 18933 1 251 . 1 1 54 54 ILE CA C 13 55.062 0.3 . 1 . . . A 54 ILE CA . 18933 1 252 . 1 1 54 54 ILE CB C 13 33.070 0.3 . 1 . . . A 54 ILE CB . 18933 1 253 . 1 1 54 54 ILE N N 15 123.777 0.3 . 1 . . . A 54 ILE N . 18933 1 254 . 1 1 58 58 GLU H H 1 6.716 0.020 . 1 . . . A 58 GLU H . 18933 1 255 . 1 1 58 58 GLU CA C 13 54.377 0.3 . 1 . . . A 58 GLU CA . 18933 1 256 . 1 1 58 58 GLU CB C 13 31.422 0.3 . 1 . . . A 58 GLU CB . 18933 1 257 . 1 1 58 58 GLU N N 15 114.710 0.3 . 1 . . . A 58 GLU N . 18933 1 258 . 1 1 61 61 LEU H H 1 7.307 0.020 . 1 . . . A 61 LEU H . 18933 1 259 . 1 1 61 61 LEU C C 13 178.512 0.3 . 1 . . . A 61 LEU C . 18933 1 260 . 1 1 61 61 LEU CA C 13 54.780 0.3 . 1 . . . A 61 LEU CA . 18933 1 261 . 1 1 61 61 LEU CB C 13 41.119 0.3 . 1 . . . A 61 LEU CB . 18933 1 262 . 1 1 61 61 LEU N N 15 115.957 0.3 . 1 . . . A 61 LEU N . 18933 1 263 . 1 1 62 62 LEU H H 1 7.327 0.020 . 1 . . . A 62 LEU H . 18933 1 264 . 1 1 62 62 LEU C C 13 177.874 0.3 . 1 . . . A 62 LEU C . 18933 1 265 . 1 1 62 62 LEU CA C 13 58.936 0.3 . 1 . . . A 62 LEU CA . 18933 1 266 . 1 1 62 62 LEU CB C 13 40.739 0.3 . 1 . . . A 62 LEU CB . 18933 1 267 . 1 1 62 62 LEU N N 15 120.038 0.3 . 1 . . . A 62 LEU N . 18933 1 268 . 1 1 63 63 LYS H H 1 7.973 0.020 . 1 . . . A 63 LYS H . 18933 1 269 . 1 1 63 63 LYS C C 13 175.460 0.3 . 1 . . . A 63 LYS C . 18933 1 270 . 1 1 63 63 LYS CA C 13 57.564 0.3 . 1 . . . A 63 LYS CA . 18933 1 271 . 1 1 63 63 LYS CB C 13 30.725 0.3 . 1 . . . A 63 LYS CB . 18933 1 272 . 1 1 63 63 LYS N N 15 114.600 0.3 . 1 . . . A 63 LYS N . 18933 1 273 . 1 1 64 64 HIS H H 1 7.544 0.020 . 1 . . . A 64 HIS H . 18933 1 274 . 1 1 64 64 HIS CA C 13 56.112 0.3 . 1 . . . A 64 HIS CA . 18933 1 275 . 1 1 64 64 HIS CB C 13 32.436 0.3 . 1 . . . A 64 HIS CB . 18933 1 276 . 1 1 64 64 HIS N N 15 115.273 0.3 . 1 . . . A 64 HIS N . 18933 1 277 . 1 1 65 65 VAL H H 1 6.787 0.020 . 1 . . . A 65 VAL H . 18933 1 278 . 1 1 65 65 VAL CA C 13 66.038 0.3 . 1 . . . A 65 VAL CA . 18933 1 279 . 1 1 65 65 VAL CB C 13 30.027 0.3 . 1 . . . A 65 VAL CB . 18933 1 280 . 1 1 65 65 VAL N N 15 118.682 0.3 . 1 . . . A 65 VAL N . 18933 1 281 . 1 1 68 68 ASN H H 1 7.009 0.020 . 1 . . . A 68 ASN H . 18933 1 282 . 1 1 68 68 ASN C C 13 174.884 0.3 . 1 . . . A 68 ASN C . 18933 1 283 . 1 1 68 68 ASN CA C 13 51.027 0.3 . 1 . . . A 68 ASN CA . 18933 1 284 . 1 1 68 68 ASN CB C 13 40.232 0.3 . 1 . . . A 68 ASN CB . 18933 1 285 . 1 1 68 68 ASN N N 15 112.108 0.3 . 1 . . . A 68 ASN N . 18933 1 286 . 1 1 69 69 ILE H H 1 7.150 0.020 . 1 . . . A 69 ILE H . 18933 1 287 . 1 1 69 69 ILE C C 13 174.394 0.3 . 1 . . . A 69 ILE C . 18933 1 288 . 1 1 69 69 ILE CA C 13 60.107 0.3 . 1 . . . A 69 ILE CA . 18933 1 289 . 1 1 69 69 ILE CB C 13 38.267 0.3 . 1 . . . A 69 ILE CB . 18933 1 290 . 1 1 69 69 ILE N N 15 123.325 0.3 . 1 . . . A 69 ILE N . 18933 1 291 . 1 1 70 70 ARG H H 1 8.902 0.020 . 1 . . . A 70 ARG H . 18933 1 292 . 1 1 70 70 ARG C C 13 174.590 0.3 . 1 . . . A 70 ARG C . 18933 1 293 . 1 1 70 70 ARG CA C 13 53.247 0.3 . 1 . . . A 70 ARG CA . 18933 1 294 . 1 1 70 70 ARG CB C 13 32.372 0.3 . 1 . . . A 70 ARG CB . 18933 1 295 . 1 1 70 70 ARG N N 15 126.722 0.3 . 1 . . . A 70 ARG N . 18933 1 296 . 1 1 71 71 ILE H H 1 7.491 0.020 . 1 . . . A 71 ILE H . 18933 1 297 . 1 1 71 71 ILE C C 13 175.583 0.3 . 1 . . . A 71 ILE C . 18933 1 298 . 1 1 71 71 ILE CA C 13 59.824 0.3 . 1 . . . A 71 ILE CA . 18933 1 299 . 1 1 71 71 ILE CB C 13 37.760 0.3 . 1 . . . A 71 ILE CB . 18933 1 300 . 1 1 71 71 ILE N N 15 119.978 0.3 . 1 . . . A 71 ILE N . 18933 1 301 . 1 1 72 72 LYS H H 1 8.523 0.020 . 1 . . . A 72 LYS H . 18933 1 302 . 1 1 72 72 LYS C C 13 177.703 0.3 . 1 . . . A 72 LYS C . 18933 1 303 . 1 1 72 72 LYS CA C 13 57.201 0.3 . 1 . . . A 72 LYS CA . 18933 1 304 . 1 1 72 72 LYS CB C 13 31.485 0.3 . 1 . . . A 72 LYS CB . 18933 1 305 . 1 1 72 72 LYS N N 15 128.530 0.3 . 1 . . . A 72 LYS N . 18933 1 306 . 1 1 73 73 GLY H H 1 8.791 0.020 . 1 . . . A 73 GLY H . 18933 1 307 . 1 1 73 73 GLY C C 13 173.781 0.3 . 1 . . . A 73 GLY C . 18933 1 308 . 1 1 73 73 GLY CA C 13 45.822 0.3 . 1 . . . A 73 GLY CA . 18933 1 309 . 1 1 73 73 GLY N N 15 113.806 0.3 . 1 . . . A 73 GLY N . 18933 1 310 . 1 1 74 74 LEU H H 1 7.393 0.020 . 1 . . . A 74 LEU H . 18933 1 311 . 1 1 74 74 LEU C C 13 175.840 0.3 . 1 . . . A 74 LEU C . 18933 1 312 . 1 1 74 74 LEU CA C 13 53.691 0.3 . 1 . . . A 74 LEU CA . 18933 1 313 . 1 1 74 74 LEU CB C 13 44.161 0.3 . 1 . . . A 74 LEU CB . 18933 1 314 . 1 1 74 74 LEU N N 15 120.490 0.3 . 1 . . . A 74 LEU N . 18933 1 315 . 1 1 75 75 SER H H 1 8.917 0.020 . 1 . . . A 75 SER H . 18933 1 316 . 1 1 75 75 SER C C 13 173.205 0.3 . 1 . . . A 75 SER C . 18933 1 317 . 1 1 75 75 SER CA C 13 57.887 0.3 . 1 . . . A 75 SER CA . 18933 1 318 . 1 1 75 75 SER CB C 13 63.049 0.3 . 1 . . . A 75 SER CB . 18933 1 319 . 1 1 75 75 SER N N 15 120.038 0.3 . 1 . . . A 75 SER N . 18933 1 320 . 1 1 76 76 PHE H H 1 8.003 0.020 . 1 . . . A 76 PHE H . 18933 1 321 . 1 1 76 76 PHE C C 13 173.536 0.3 . 1 . . . A 76 PHE C . 18933 1 322 . 1 1 76 76 PHE CA C 13 55.426 0.3 . 1 . . . A 76 PHE CA . 18933 1 323 . 1 1 76 76 PHE CB C 13 42.006 0.3 . 1 . . . A 76 PHE CB . 18933 1 324 . 1 1 76 76 PHE N N 15 119.586 0.3 . 1 . . . A 76 PHE N . 18933 1 325 . 1 1 77 77 SER H H 1 8.907 0.020 . 1 . . . A 77 SER H . 18933 1 326 . 1 1 77 77 SER C C 13 173.438 0.3 . 1 . . . A 77 SER C . 18933 1 327 . 1 1 77 77 SER CA C 13 56.152 0.3 . 1 . . . A 77 SER CA . 18933 1 328 . 1 1 77 77 SER CB C 13 65.204 0.3 . 1 . . . A 77 SER CB . 18933 1 329 . 1 1 77 77 SER N N 15 114.943 0.3 . 1 . . . A 77 SER N . 18933 1 330 . 1 1 78 78 VAL H H 1 8.892 0.020 . 1 . . . A 78 VAL H . 18933 1 331 . 1 1 78 78 VAL CA C 13 62.044 0.3 . 1 . . . A 78 VAL CA . 18933 1 332 . 1 1 78 78 VAL CB C 13 32.182 0.3 . 1 . . . A 78 VAL CB . 18933 1 333 . 1 1 78 78 VAL N N 15 124.791 0.3 . 1 . . . A 78 VAL N . 18933 1 334 . 1 1 79 79 LYS H H 1 9.049 0.020 . 1 . . . A 79 LYS H . 18933 1 335 . 1 1 79 79 LYS CA C 13 56.192 0.3 . 1 . . . A 79 LYS CA . 18933 1 336 . 1 1 79 79 LYS CB C 13 32.372 0.3 . 1 . . . A 79 LYS CB . 18933 1 337 . 1 1 79 79 LYS N N 15 129.667 0.3 . 1 . . . A 79 LYS N . 18933 1 338 . 1 1 82 82 GLY H H 1 8.044 0.020 . 1 . . . A 82 GLY H . 18933 1 339 . 1 1 82 82 GLY C C 13 171.710 0.3 . 1 . . . A 82 GLY C . 18933 1 340 . 1 1 82 82 GLY CA C 13 43.925 0.3 . 1 . . . A 82 GLY CA . 18933 1 341 . 1 1 82 82 GLY N N 15 117.263 0.3 . 1 . . . A 82 GLY N . 18933 1 342 . 1 1 83 83 GLU H H 1 8.296 0.020 . 1 . . . A 83 GLU H . 18933 1 343 . 1 1 83 83 GLU C C 13 178.695 0.3 . 1 . . . A 83 GLU C . 18933 1 344 . 1 1 83 83 GLU CA C 13 58.977 0.3 . 1 . . . A 83 GLU CA . 18933 1 345 . 1 1 83 83 GLU CB C 13 29.837 0.3 . 1 . . . A 83 GLU CB . 18933 1 346 . 1 1 83 83 GLU N N 15 117.203 0.3 . 1 . . . A 83 GLU N . 18933 1 347 . 1 1 84 84 ARG H H 1 8.342 0.020 . 1 . . . A 84 ARG H . 18933 1 348 . 1 1 84 84 ARG C C 13 175.877 0.3 . 1 . . . A 84 ARG C . 18933 1 349 . 1 1 84 84 ARG CA C 13 53.731 0.3 . 1 . . . A 84 ARG CA . 18933 1 350 . 1 1 84 84 ARG CB C 13 31.295 0.3 . 1 . . . A 84 ARG CB . 18933 1 351 . 1 1 84 84 ARG N N 15 113.818 0.3 . 1 . . . A 84 ARG N . 18933 1 352 . 1 1 85 85 LYS H H 1 6.822 0.020 . 1 . . . A 85 LYS H . 18933 1 353 . 1 1 85 85 LYS C C 13 174.516 0.3 . 1 . . . A 85 LYS C . 18933 1 354 . 1 1 85 85 LYS CA C 13 54.740 0.3 . 1 . . . A 85 LYS CA . 18933 1 355 . 1 1 85 85 LYS CB C 13 34.844 0.3 . 1 . . . A 85 LYS CB . 18933 1 356 . 1 1 85 85 LYS N N 15 119.354 0.3 . 1 . . . A 85 LYS N . 18933 1 357 . 1 1 86 86 CYS H H 1 9.084 0.020 . 1 . . . A 86 CYS H . 18933 1 358 . 1 1 86 86 CYS C C 13 171.600 0.3 . 1 . . . A 86 CYS C . 18933 1 359 . 1 1 86 86 CYS CA C 13 55.627 0.3 . 1 . . . A 86 CYS CA . 18933 1 360 . 1 1 86 86 CYS CB C 13 30.344 0.3 . 1 . . . A 86 CYS CB . 18933 1 361 . 1 1 86 86 CYS N N 15 125.928 0.3 . 1 . . . A 86 CYS N . 18933 1 362 . 1 1 87 87 VAL H H 1 8.705 0.020 . 1 . . . A 87 VAL H . 18933 1 363 . 1 1 87 87 VAL C C 13 174.431 0.3 . 1 . . . A 87 VAL C . 18933 1 364 . 1 1 87 87 VAL CA C 13 61.317 0.3 . 1 . . . A 87 VAL CA . 18933 1 365 . 1 1 87 87 VAL CB C 13 33.196 0.3 . 1 . . . A 87 VAL CB . 18933 1 366 . 1 1 87 87 VAL N N 15 126.612 0.3 . 1 . . . A 87 VAL N . 18933 1 367 . 1 1 88 88 LEU H H 1 9.417 0.020 . 1 . . . A 88 LEU H . 18933 1 368 . 1 1 88 88 LEU C C 13 175.227 0.3 . 1 . . . A 88 LEU C . 18933 1 369 . 1 1 88 88 LEU CA C 13 52.520 0.3 . 1 . . . A 88 LEU CA . 18933 1 370 . 1 1 88 88 LEU CB C 13 44.605 0.3 . 1 . . . A 88 LEU CB . 18933 1 371 . 1 1 88 88 LEU N N 15 127.748 0.3 . 1 . . . A 88 LEU N . 18933 1 372 . 1 1 89 89 PHE H H 1 8.937 0.020 . 1 . . . A 89 PHE H . 18933 1 373 . 1 1 89 89 PHE C C 13 176.906 0.3 . 1 . . . A 89 PHE C . 18933 1 374 . 1 1 89 89 PHE CA C 13 55.587 0.3 . 1 . . . A 89 PHE CA . 18933 1 375 . 1 1 89 89 PHE CB C 13 38.901 0.3 . 1 . . . A 89 PHE CB . 18933 1 376 . 1 1 89 89 PHE N N 15 120.981 0.3 . 1 . . . A 89 PHE N . 18933 1 377 . 1 1 90 90 ILE H H 1 9.230 0.020 . 1 . . . A 90 ILE H . 18933 1 378 . 1 1 90 90 ILE C C 13 173.781 0.3 . 1 . . . A 90 ILE C . 18933 1 379 . 1 1 90 90 ILE CA C 13 58.654 0.3 . 1 . . . A 90 ILE CA . 18933 1 380 . 1 1 90 90 ILE CB C 13 40.612 0.3 . 1 . . . A 90 ILE CB . 18933 1 381 . 1 1 90 90 ILE N N 15 119.928 0.3 . 1 . . . A 90 ILE N . 18933 1 382 . 1 1 91 91 GLU H H 1 8.175 0.020 . 1 . . . A 91 GLU H . 18933 1 383 . 1 1 91 91 GLU C C 13 175.607 0.3 . 1 . . . A 91 GLU C . 18933 1 384 . 1 1 91 91 GLU CA C 13 54.619 0.3 . 1 . . . A 91 GLU CA . 18933 1 385 . 1 1 91 91 GLU CB C 13 29.837 0.3 . 1 . . . A 91 GLU CB . 18933 1 386 . 1 1 91 91 GLU N N 15 124.339 0.3 . 1 . . . A 91 GLU N . 18933 1 387 . 1 1 92 92 TRP H H 1 9.306 0.020 . 1 . . . A 92 TRP H . 18933 1 388 . 1 1 92 92 TRP C C 13 175.203 0.3 . 1 . . . A 92 TRP C . 18933 1 389 . 1 1 92 92 TRP CA C 13 56.233 0.3 . 1 . . . A 92 TRP CA . 18933 1 390 . 1 1 92 92 TRP CB C 13 30.661 0.3 . 1 . . . A 92 TRP CB . 18933 1 391 . 1 1 92 92 TRP N N 15 127.516 0.3 . 1 . . . A 92 TRP N . 18933 1 392 . 1 1 93 93 GLU H H 1 8.796 0.020 . 1 . . . A 93 GLU H . 18933 1 393 . 1 1 93 93 GLU C C 13 175.668 0.3 . 1 . . . A 93 GLU C . 18933 1 394 . 1 1 93 93 GLU CA C 13 56.878 0.3 . 1 . . . A 93 GLU CA . 18933 1 395 . 1 1 93 93 GLU CB C 13 26.034 0.3 . 1 . . . A 93 GLU CB . 18933 1 396 . 1 1 93 93 GLU N N 15 127.834 0.3 . 1 . . . A 93 GLU N . 18933 1 397 . 1 1 94 94 LYS H H 1 8.498 0.020 . 1 . . . A 94 LYS H . 18933 1 398 . 1 1 94 94 LYS C C 13 175.423 0.3 . 1 . . . A 94 LYS C . 18933 1 399 . 1 1 94 94 LYS CA C 13 57.443 0.3 . 1 . . . A 94 LYS CA . 18933 1 400 . 1 1 94 94 LYS CB C 13 28.633 0.3 . 1 . . . A 94 LYS CB . 18933 1 401 . 1 1 94 94 LYS N N 15 108.931 0.3 . 1 . . . A 94 LYS N . 18933 1 402 . 1 1 95 95 LYS H H 1 7.761 0.020 . 1 . . . A 95 LYS H . 18933 1 403 . 1 1 95 95 LYS C C 13 174.443 0.3 . 1 . . . A 95 LYS C . 18933 1 404 . 1 1 95 95 LYS CA C 13 54.417 0.3 . 1 . . . A 95 LYS CA . 18933 1 405 . 1 1 95 95 LYS CB C 13 34.464 0.3 . 1 . . . A 95 LYS CB . 18933 1 406 . 1 1 95 95 LYS N N 15 121.737 0.3 . 1 . . . A 95 LYS N . 18933 1 407 . 1 1 96 96 THR H H 1 7.761 0.020 . 1 . . . A 96 THR H . 18933 1 408 . 1 1 96 96 THR C C 13 174.296 0.3 . 1 . . . A 96 THR C . 18933 1 409 . 1 1 96 96 THR CA C 13 61.115 0.3 . 1 . . . A 96 THR CA . 18933 1 410 . 1 1 96 96 THR CB C 13 69.450 0.3 . 1 . . . A 96 THR CB . 18933 1 411 . 1 1 96 96 THR N N 15 116.067 0.3 . 1 . . . A 96 THR N . 18933 1 412 . 1 1 97 97 TYR H H 1 9.018 0.020 . 1 . . . A 97 TYR H . 18933 1 413 . 1 1 97 97 TYR C C 13 173.536 0.3 . 1 . . . A 97 TYR C . 18933 1 414 . 1 1 97 97 TYR CA C 13 55.950 0.3 . 1 . . . A 97 TYR CA . 18933 1 415 . 1 1 97 97 TYR CB C 13 41.182 0.3 . 1 . . . A 97 TYR CB . 18933 1 416 . 1 1 97 97 TYR N N 15 124.229 0.3 . 1 . . . A 97 TYR N . 18933 1 417 . 1 1 98 98 GLN H H 1 8.781 0.020 . 1 . . . A 98 GLN H . 18933 1 418 . 1 1 98 98 GLN C C 13 173.266 0.3 . 1 . . . A 98 GLN C . 18933 1 419 . 1 1 98 98 GLN CA C 13 55.143 0.3 . 1 . . . A 98 GLN CA . 18933 1 420 . 1 1 98 98 GLN CB C 13 29.013 0.3 . 1 . . . A 98 GLN CB . 18933 1 421 . 1 1 98 98 GLN N N 15 123.435 0.3 . 1 . . . A 98 GLN N . 18933 1 422 . 1 1 99 99 LEU H H 1 9.104 0.020 . 1 . . . A 99 LEU H . 18933 1 423 . 1 1 99 99 LEU C C 13 173.867 0.3 . 1 . . . A 99 LEU C . 18933 1 424 . 1 1 99 99 LEU CA C 13 52.520 0.3 . 1 . . . A 99 LEU CA . 18933 1 425 . 1 1 99 99 LEU CB C 13 44.605 0.3 . 1 . . . A 99 LEU CB . 18933 1 426 . 1 1 99 99 LEU N N 15 130.119 0.3 . 1 . . . A 99 LEU N . 18933 1 427 . 1 1 100 100 ASP H H 1 9.089 0.020 . 1 . . . A 100 ASP H . 18933 1 428 . 1 1 100 100 ASP C C 13 172.837 0.3 . 1 . . . A 100 ASP C . 18933 1 429 . 1 1 100 100 ASP CA C 13 51.754 0.3 . 1 . . . A 100 ASP CA . 18933 1 430 . 1 1 100 100 ASP CB C 13 39.344 0.3 . 1 . . . A 100 ASP CB . 18933 1 431 . 1 1 100 100 ASP N N 15 125.182 0.3 . 1 . . . A 100 ASP N . 18933 1 432 . 1 1 101 101 LEU H H 1 8.458 0.020 . 1 . . . A 101 LEU H . 18933 1 433 . 1 1 101 101 LEU C C 13 174.529 0.3 . 1 . . . A 101 LEU C . 18933 1 434 . 1 1 101 101 LEU CA C 13 51.915 0.3 . 1 . . . A 101 LEU CA . 18933 1 435 . 1 1 101 101 LEU CB C 13 43.908 0.3 . 1 . . . A 101 LEU CB . 18933 1 436 . 1 1 101 101 LEU N N 15 121.174 0.3 . 1 . . . A 101 LEU N . 18933 1 437 . 1 1 102 102 PHE H H 1 8.281 0.020 . 1 . . . A 102 PHE H . 18933 1 438 . 1 1 102 102 PHE C C 13 176.293 0.3 . 1 . . . A 102 PHE C . 18933 1 439 . 1 1 102 102 PHE CA C 13 54.054 0.3 . 1 . . . A 102 PHE CA . 18933 1 440 . 1 1 102 102 PHE CB C 13 41.880 0.3 . 1 . . . A 102 PHE CB . 18933 1 441 . 1 1 102 102 PHE N N 15 119.464 0.3 . 1 . . . A 102 PHE N . 18933 1 442 . 1 1 103 103 THR H H 1 7.872 0.020 . 1 . . . A 103 THR H . 18933 1 443 . 1 1 103 103 THR C C 13 174.933 0.3 . 1 . . . A 103 THR C . 18933 1 444 . 1 1 103 103 THR CA C 13 57.726 0.3 . 1 . . . A 103 THR CA . 18933 1 445 . 1 1 103 103 THR CB C 13 71.288 0.3 . 1 . . . A 103 THR CB . 18933 1 446 . 1 1 103 103 THR N N 15 108.576 0.3 . 1 . . . A 103 THR N . 18933 1 447 . 1 1 104 104 ALA H H 1 8.660 0.020 . 1 . . . A 104 ALA H . 18933 1 448 . 1 1 104 104 ALA C C 13 175.754 0.3 . 1 . . . A 104 ALA C . 18933 1 449 . 1 1 104 104 ALA CA C 13 50.018 0.3 . 1 . . . A 104 ALA CA . 18933 1 450 . 1 1 104 104 ALA CB C 13 22.485 0.3 . 1 . . . A 104 ALA CB . 18933 1 451 . 1 1 104 104 ALA N N 15 122.885 0.3 . 1 . . . A 104 ALA N . 18933 1 452 . 1 1 105 105 LEU H H 1 8.226 0.020 . 1 . . . A 105 LEU H . 18933 1 453 . 1 1 105 105 LEU C C 13 179.504 0.3 . 1 . . . A 105 LEU C . 18933 1 454 . 1 1 105 105 LEU CA C 13 53.247 0.3 . 1 . . . A 105 LEU CA . 18933 1 455 . 1 1 105 105 LEU CB C 13 41.753 0.3 . 1 . . . A 105 LEU CB . 18933 1 456 . 1 1 105 105 LEU N N 15 120.881 0.3 . 1 . . . A 105 LEU N . 18933 1 457 . 1 1 106 106 ALA H H 1 8.392 0.020 . 1 . . . A 106 ALA H . 18933 1 458 . 1 1 106 106 ALA C C 13 181.269 0.3 . 1 . . . A 106 ALA C . 18933 1 459 . 1 1 106 106 ALA CA C 13 56.313 0.3 . 1 . . . A 106 ALA CA . 18933 1 460 . 1 1 106 106 ALA CB C 13 17.224 0.3 . 1 . . . A 106 ALA CB . 18933 1 461 . 1 1 106 106 ALA N N 15 124.901 0.3 . 1 . . . A 106 ALA N . 18933 1 462 . 1 1 107 107 GLU H H 1 9.664 0.020 . 1 . . . A 107 GLU H . 18933 1 463 . 1 1 107 107 GLU C C 13 177.764 0.3 . 1 . . . A 107 GLU C . 18933 1 464 . 1 1 107 107 GLU CA C 13 58.533 0.3 . 1 . . . A 107 GLU CA . 18933 1 465 . 1 1 107 107 GLU CB C 13 27.936 0.3 . 1 . . . A 107 GLU CB . 18933 1 466 . 1 1 107 107 GLU N N 15 116.409 0.3 . 1 . . . A 107 GLU N . 18933 1 467 . 1 1 108 108 GLU H H 1 7.589 0.020 . 1 . . . A 108 GLU H . 18933 1 468 . 1 1 108 108 GLU CA C 13 55.143 0.3 . 1 . . . A 108 GLU CA . 18933 1 469 . 1 1 108 108 GLU CB C 13 29.837 0.3 . 1 . . . A 108 GLU CB . 18933 1 470 . 1 1 108 108 GLU N N 15 116.189 0.3 . 1 . . . A 108 GLU N . 18933 1 471 . 1 1 109 109 LYS H H 1 7.514 0.020 . 1 . . . A 109 LYS H . 18933 1 472 . 1 1 109 109 LYS CA C 13 62.851 0.3 . 1 . . . A 109 LYS CA . 18933 1 473 . 1 1 109 109 LYS CB C 13 30.471 0.3 . 1 . . . A 109 LYS CB . 18933 1 474 . 1 1 109 109 LYS N N 15 119.928 0.3 . 1 . . . A 109 LYS N . 18933 1 475 . 1 1 111 111 TYR H H 1 6.393 0.020 . 1 . . . A 111 TYR H . 18933 1 476 . 1 1 111 111 TYR C C 13 179.504 0.3 . 1 . . . A 111 TYR C . 18933 1 477 . 1 1 111 111 TYR CA C 13 59.017 0.3 . 1 . . . A 111 TYR CA . 18933 1 478 . 1 1 111 111 TYR CB C 13 35.668 0.3 . 1 . . . A 111 TYR CB . 18933 1 479 . 1 1 111 111 TYR N N 15 114.930 0.3 . 1 . . . A 111 TYR N . 18933 1 480 . 1 1 112 112 ALA H H 1 8.554 0.020 . 1 . . . A 112 ALA H . 18933 1 481 . 1 1 112 112 ALA C C 13 179.173 0.3 . 1 . . . A 112 ALA C . 18933 1 482 . 1 1 112 112 ALA CA C 13 54.901 0.3 . 1 . . . A 112 ALA CA . 18933 1 483 . 1 1 112 112 ALA CB C 13 18.112 0.3 . 1 . . . A 112 ALA CB . 18933 1 484 . 1 1 112 112 ALA N N 15 124.901 0.3 . 1 . . . A 112 ALA N . 18933 1 485 . 1 1 113 113 ILE H H 1 8.680 0.020 . 1 . . . A 113 ILE H . 18933 1 486 . 1 1 113 113 ILE C C 13 178.499 0.3 . 1 . . . A 113 ILE C . 18933 1 487 . 1 1 113 113 ILE CA C 13 66.281 0.3 . 1 . . . A 113 ILE CA . 18933 1 488 . 1 1 113 113 ILE CB C 13 37.316 0.3 . 1 . . . A 113 ILE CB . 18933 1 489 . 1 1 113 113 ILE N N 15 119.464 0.3 . 1 . . . A 113 ILE N . 18933 1 490 . 1 1 114 114 PHE H H 1 7.721 0.020 . 1 . . . A 114 PHE H . 18933 1 491 . 1 1 114 114 PHE C C 13 178.217 0.3 . 1 . . . A 114 PHE C . 18933 1 492 . 1 1 114 114 PHE CA C 13 61.559 0.3 . 1 . . . A 114 PHE CA . 18933 1 493 . 1 1 114 114 PHE CB C 13 39.471 0.3 . 1 . . . A 114 PHE CB . 18933 1 494 . 1 1 114 114 PHE N N 15 122.922 0.3 . 1 . . . A 114 PHE N . 18933 1 495 . 1 1 115 115 HIS H H 1 8.155 0.020 . 1 . . . A 115 HIS H . 18933 1 496 . 1 1 115 115 HIS C C 13 177.286 0.3 . 1 . . . A 115 HIS C . 18933 1 497 . 1 1 115 115 HIS CA C 13 59.380 0.3 . 1 . . . A 115 HIS CA . 18933 1 498 . 1 1 115 115 HIS CB C 13 31.865 0.3 . 1 . . . A 115 HIS CB . 18933 1 499 . 1 1 115 115 HIS N N 15 118.560 0.3 . 1 . . . A 115 HIS N . 18933 1 500 . 1 1 116 116 PHE H H 1 8.564 0.020 . 1 . . . A 116 PHE H . 18933 1 501 . 1 1 116 116 PHE C C 13 179.026 0.3 . 1 . . . A 116 PHE C . 18933 1 502 . 1 1 116 116 PHE CA C 13 59.461 0.3 . 1 . . . A 116 PHE CA . 18933 1 503 . 1 1 116 116 PHE CB C 13 37.189 0.3 . 1 . . . A 116 PHE CB . 18933 1 504 . 1 1 116 116 PHE N N 15 111.472 0.3 . 1 . . . A 116 PHE N . 18933 1 505 . 1 1 117 117 THR H H 1 7.620 0.020 . 1 . . . A 117 THR H . 18933 1 506 . 1 1 117 117 THR C C 13 172.935 0.3 . 1 . . . A 117 THR C . 18933 1 507 . 1 1 117 117 THR CA C 13 67.088 0.3 . 1 . . . A 117 THR CA . 18933 1 508 . 1 1 117 117 THR CB C 13 67.126 0.3 . 1 . . . A 117 THR CB . 18933 1 509 . 1 1 117 117 THR N N 15 119.012 0.3 . 1 . . . A 117 THR N . 18933 1 510 . 1 1 118 118 GLY H H 1 6.666 0.020 . 1 . . . A 118 GLY H . 18933 1 511 . 1 1 118 118 GLY CA C 13 44.167 0.3 . 1 . . . A 118 GLY CA . 18933 1 512 . 1 1 118 118 GLY N N 15 107.917 0.3 . 1 . . . A 118 GLY N . 18933 1 513 . 1 1 121 121 SER H H 1 8.322 0.020 . 1 . . . A 121 SER H . 18933 1 514 . 1 1 121 121 SER C C 13 176.061 0.3 . 1 . . . A 121 SER C . 18933 1 515 . 1 1 121 121 SER CA C 13 61.035 0.3 . 1 . . . A 121 SER CA . 18933 1 516 . 1 1 121 121 SER N N 15 113.354 0.3 . 1 . . . A 121 SER N . 18933 1 517 . 1 1 122 122 TYR H H 1 6.514 0.020 . 1 . . . A 122 TYR H . 18933 1 518 . 1 1 122 122 TYR C C 13 176.293 0.3 . 1 . . . A 122 TYR C . 18933 1 519 . 1 1 122 122 TYR CA C 13 59.057 0.3 . 1 . . . A 122 TYR CA . 18933 1 520 . 1 1 122 122 TYR CB C 13 38.711 0.3 . 1 . . . A 122 TYR CB . 18933 1 521 . 1 1 122 122 TYR N N 15 124.681 0.3 . 1 . . . A 122 TYR N . 18933 1 522 . 1 1 123 123 LEU H H 1 7.428 0.020 . 1 . . . A 123 LEU H . 18933 1 523 . 1 1 123 123 LEU C C 13 179.774 0.3 . 1 . . . A 123 LEU C . 18933 1 524 . 1 1 123 123 LEU CA C 13 56.878 0.3 . 1 . . . A 123 LEU CA . 18933 1 525 . 1 1 123 123 LEU CB C 13 39.978 0.3 . 1 . . . A 123 LEU CB . 18933 1 526 . 1 1 123 123 LEU N N 15 117.997 0.3 . 1 . . . A 123 LEU N . 18933 1 527 . 1 1 124 124 ILE H H 1 8.453 0.020 . 1 . . . A 124 ILE H . 18933 1 528 . 1 1 124 124 ILE C C 13 178.830 0.3 . 1 . . . A 124 ILE C . 18933 1 529 . 1 1 124 124 ILE CA C 13 65.151 0.3 . 1 . . . A 124 ILE CA . 18933 1 530 . 1 1 124 124 ILE CB C 13 37.063 0.3 . 1 . . . A 124 ILE CB . 18933 1 531 . 1 1 124 124 ILE N N 15 119.012 0.3 . 1 . . . A 124 ILE N . 18933 1 532 . 1 1 125 125 ARG H H 1 7.004 0.020 . 1 . . . A 125 ARG H . 18933 1 533 . 1 1 125 125 ARG C C 13 179.762 0.3 . 1 . . . A 125 ARG C . 18933 1 534 . 1 1 125 125 ARG CA C 13 59.057 0.3 . 1 . . . A 125 ARG CA . 18933 1 535 . 1 1 125 125 ARG CB C 13 28.950 0.3 . 1 . . . A 125 ARG CB . 18933 1 536 . 1 1 125 125 ARG N N 15 121.174 0.3 . 1 . . . A 125 ARG N . 18933 1 537 . 1 1 126 126 ILE H H 1 7.579 0.020 . 1 . . . A 126 ILE H . 18933 1 538 . 1 1 126 126 ILE C C 13 178.352 0.3 . 1 . . . A 126 ILE C . 18933 1 539 . 1 1 126 126 ILE CA C 13 62.205 0.3 . 1 . . . A 126 ILE CA . 18933 1 540 . 1 1 126 126 ILE CB C 13 35.415 0.3 . 1 . . . A 126 ILE CB . 18933 1 541 . 1 1 126 126 ILE N N 15 122.299 0.3 . 1 . . . A 126 ILE N . 18933 1 542 . 1 1 127 127 ARG H H 1 8.715 0.020 . 1 . . . A 127 ARG H . 18933 1 543 . 1 1 127 127 ARG C C 13 179.786 0.3 . 1 . . . A 127 ARG C . 18933 1 544 . 1 1 127 127 ARG CA C 13 59.986 0.3 . 1 . . . A 127 ARG CA . 18933 1 545 . 1 1 127 127 ARG CB C 13 29.330 0.3 . 1 . . . A 127 ARG CB . 18933 1 546 . 1 1 127 127 ARG N N 15 119.354 0.3 . 1 . . . A 127 ARG N . 18933 1 547 . 1 1 128 128 ALA H H 1 7.978 0.020 . 1 . . . A 128 ALA H . 18933 1 548 . 1 1 128 128 ALA C C 13 180.325 0.3 . 1 . . . A 128 ALA C . 18933 1 549 . 1 1 128 128 ALA CA C 13 54.740 0.3 . 1 . . . A 128 ALA CA . 18933 1 550 . 1 1 128 128 ALA CB C 13 17.161 0.3 . 1 . . . A 128 ALA CB . 18933 1 551 . 1 1 128 128 ALA N N 15 122.873 0.3 . 1 . . . A 128 ALA N . 18933 1 552 . 1 1 129 129 ALA H H 1 7.519 0.020 . 1 . . . A 129 ALA H . 18933 1 553 . 1 1 129 129 ALA C C 13 181.539 0.3 . 1 . . . A 129 ALA C . 18933 1 554 . 1 1 129 129 ALA CA C 13 54.498 0.3 . 1 . . . A 129 ALA CA . 18933 1 555 . 1 1 129 129 ALA CB C 13 17.478 0.3 . 1 . . . A 129 ALA CB . 18933 1 556 . 1 1 129 129 ALA N N 15 121.846 0.3 . 1 . . . A 129 ALA N . 18933 1 557 . 1 1 130 130 LEU H H 1 8.296 0.020 . 1 . . . A 130 LEU H . 18933 1 558 . 1 1 130 130 LEU C C 13 179.909 0.3 . 1 . . . A 130 LEU C . 18933 1 559 . 1 1 130 130 LEU CA C 13 56.999 0.3 . 1 . . . A 130 LEU CA . 18933 1 560 . 1 1 130 130 LEU CB C 13 40.422 0.3 . 1 . . . A 130 LEU CB . 18933 1 561 . 1 1 130 130 LEU N N 15 119.134 0.3 . 1 . . . A 130 LEU N . 18933 1 562 . 1 1 131 131 LYS H H 1 8.281 0.020 . 1 . . . A 131 LYS H . 18933 1 563 . 1 1 131 131 LYS C C 13 180.289 0.3 . 1 . . . A 131 LYS C . 18933 1 564 . 1 1 131 131 LYS CA C 13 59.017 0.3 . 1 . . . A 131 LYS CA . 18933 1 565 . 1 1 131 131 LYS CB C 13 31.232 0.3 . 1 . . . A 131 LYS CB . 18933 1 566 . 1 1 131 131 LYS N N 15 122.299 0.3 . 1 . . . A 131 LYS N . 18933 1 567 . 1 1 132 132 LYS H H 1 7.317 0.020 . 1 . . . A 132 LYS H . 18933 1 568 . 1 1 132 132 LYS C C 13 177.482 0.3 . 1 . . . A 132 LYS C . 18933 1 569 . 1 1 132 132 LYS CA C 13 58.492 0.3 . 1 . . . A 132 LYS CA . 18933 1 570 . 1 1 132 132 LYS CB C 13 31.232 0.3 . 1 . . . A 132 LYS CB . 18933 1 571 . 1 1 132 132 LYS N N 15 118.743 0.3 . 1 . . . A 132 LYS N . 18933 1 572 . 1 1 133 133 LYS H H 1 7.327 0.020 . 1 . . . A 133 LYS H . 18933 1 573 . 1 1 133 133 LYS C C 13 174.614 0.3 . 1 . . . A 133 LYS C . 18933 1 574 . 1 1 133 133 LYS CA C 13 54.780 0.3 . 1 . . . A 133 LYS CA . 18933 1 575 . 1 1 133 133 LYS CB C 13 32.182 0.3 . 1 . . . A 133 LYS CB . 18933 1 576 . 1 1 133 133 LYS N N 15 117.093 0.3 . 1 . . . A 133 LYS N . 18933 1 577 . 1 1 134 134 ASN H H 1 7.938 0.020 . 1 . . . A 134 ASN H . 18933 1 578 . 1 1 134 134 ASN C C 13 173.965 0.3 . 1 . . . A 134 ASN C . 18933 1 579 . 1 1 134 134 ASN CA C 13 54.296 0.3 . 1 . . . A 134 ASN CA . 18933 1 580 . 1 1 134 134 ASN CB C 13 36.175 0.3 . 1 . . . A 134 ASN CB . 18933 1 581 . 1 1 134 134 ASN N N 15 113.012 0.3 . 1 . . . A 134 ASN N . 18933 1 582 . 1 1 135 135 TYR H H 1 7.741 0.020 . 1 . . . A 135 TYR H . 18933 1 583 . 1 1 135 135 TYR C C 13 176.342 0.3 . 1 . . . A 135 TYR C . 18933 1 584 . 1 1 135 135 TYR CA C 13 55.668 0.3 . 1 . . . A 135 TYR CA . 18933 1 585 . 1 1 135 135 TYR CB C 13 41.563 0.3 . 1 . . . A 135 TYR CB . 18933 1 586 . 1 1 135 135 TYR N N 15 115.725 0.3 . 1 . . . A 135 TYR N . 18933 1 587 . 1 1 136 136 LYS H H 1 9.296 0.020 . 1 . . . A 136 LYS H . 18933 1 588 . 1 1 136 136 LYS C C 13 173.475 0.3 . 1 . . . A 136 LYS C . 18933 1 589 . 1 1 136 136 LYS CA C 13 54.901 0.3 . 1 . . . A 136 LYS CA . 18933 1 590 . 1 1 136 136 LYS CB C 13 34.718 0.3 . 1 . . . A 136 LYS CB . 18933 1 591 . 1 1 136 136 LYS N N 15 122.641 0.3 . 1 . . . A 136 LYS N . 18933 1 592 . 1 1 137 137 LEU H H 1 8.776 0.020 . 1 . . . A 137 LEU H . 18933 1 593 . 1 1 137 137 LEU C C 13 175.423 0.3 . 1 . . . A 137 LEU C . 18933 1 594 . 1 1 137 137 LEU CA C 13 53.126 0.3 . 1 . . . A 137 LEU CA . 18933 1 595 . 1 1 137 137 LEU CB C 13 45.746 0.3 . 1 . . . A 137 LEU CB . 18933 1 596 . 1 1 137 137 LEU N N 15 127.284 0.3 . 1 . . . A 137 LEU N . 18933 1 597 . 1 1 138 138 ASN H H 1 8.811 0.020 . 1 . . . A 138 ASN H . 18933 1 598 . 1 1 138 138 ASN C C 13 174.933 0.3 . 1 . . . A 138 ASN C . 18933 1 599 . 1 1 138 138 ASN CA C 13 52.117 0.3 . 1 . . . A 138 ASN CA . 18933 1 600 . 1 1 138 138 ASN CB C 13 37.506 0.3 . 1 . . . A 138 ASN CB . 18933 1 601 . 1 1 138 138 ASN N N 15 125.818 0.3 . 1 . . . A 138 ASN N . 18933 1 602 . 1 1 139 139 GLN H H 1 9.220 0.020 . 1 . . . A 139 GLN H . 18933 1 603 . 1 1 139 139 GLN CA C 13 56.838 0.3 . 1 . . . A 139 GLN CA . 18933 1 604 . 1 1 139 139 GLN CB C 13 25.717 0.3 . 1 . . . A 139 GLN CB . 18933 1 605 . 1 1 139 139 GLN N N 15 116.861 0.3 . 1 . . . A 139 GLN N . 18933 1 606 . 1 1 140 140 TYR H H 1 8.549 0.020 . 1 . . . A 140 TYR H . 18933 1 607 . 1 1 140 140 TYR CA C 13 56.757 0.3 . 1 . . . A 140 TYR CA . 18933 1 608 . 1 1 140 140 TYR CB C 13 37.570 0.3 . 1 . . . A 140 TYR CB . 18933 1 609 . 1 1 140 140 TYR N N 15 120.600 0.3 . 1 . . . A 140 TYR N . 18933 1 610 . 1 1 141 141 GLY H H 1 7.186 0.020 . 1 . . . A 141 GLY H . 18933 1 611 . 1 1 141 141 GLY CA C 13 43.844 0.3 . 1 . . . A 141 GLY CA . 18933 1 612 . 1 1 141 141 GLY N N 15 105.986 0.3 . 1 . . . A 141 GLY N . 18933 1 613 . 1 1 142 142 LEU H H 1 7.539 0.020 . 1 . . . A 142 LEU H . 18933 1 614 . 1 1 142 142 LEU C C 13 173.340 0.3 . 1 . . . A 142 LEU C . 18933 1 615 . 1 1 142 142 LEU CA C 13 52.520 0.3 . 1 . . . A 142 LEU CA . 18933 1 616 . 1 1 142 142 LEU CB C 13 44.351 0.3 . 1 . . . A 142 LEU CB . 18933 1 617 . 1 1 142 142 LEU N N 15 120.038 0.3 . 1 . . . A 142 LEU N . 18933 1 618 . 1 1 143 143 PHE H H 1 9.084 0.020 . 1 . . . A 143 PHE H . 18933 1 619 . 1 1 143 143 PHE C C 13 173.977 0.3 . 1 . . . A 143 PHE C . 18933 1 620 . 1 1 143 143 PHE CA C 13 52.641 0.3 . 1 . . . A 143 PHE CA . 18933 1 621 . 1 1 143 143 PHE CB C 13 44.668 0.3 . 1 . . . A 143 PHE CB . 18933 1 622 . 1 1 143 143 PHE N N 15 124.229 0.3 . 1 . . . A 143 PHE N . 18933 1 623 . 1 1 144 144 LYS H H 1 9.281 0.020 . 1 . . . A 144 LYS H . 18933 1 624 . 1 1 144 144 LYS C C 13 175.092 0.3 . 1 . . . A 144 LYS C . 18933 1 625 . 1 1 144 144 LYS CA C 13 58.856 0.3 . 1 . . . A 144 LYS CA . 18933 1 626 . 1 1 144 144 LYS CB C 13 38.584 0.3 . 1 . . . A 144 LYS CB . 18933 1 627 . 1 1 144 144 LYS N N 15 127.858 0.3 . 1 . . . A 144 LYS N . 18933 1 628 . 1 1 145 145 ASN H H 1 9.205 0.020 . 1 . . . A 145 ASN H . 18933 1 629 . 1 1 145 145 ASN C C 13 175.779 0.3 . 1 . . . A 145 ASN C . 18933 1 630 . 1 1 145 145 ASN CA C 13 57.726 0.3 . 1 . . . A 145 ASN CA . 18933 1 631 . 1 1 145 145 ASN CB C 13 34.654 0.3 . 1 . . . A 145 ASN CB . 18933 1 632 . 1 1 145 145 ASN N N 15 128.188 0.3 . 1 . . . A 145 ASN N . 18933 1 633 . 1 1 146 146 GLN H H 1 8.983 0.020 . 1 . . . A 146 GLN H . 18933 1 634 . 1 1 146 146 GLN C C 13 175.399 0.3 . 1 . . . A 146 GLN C . 18933 1 635 . 1 1 146 146 GLN CA C 13 58.815 0.3 . 1 . . . A 146 GLN CA . 18933 1 636 . 1 1 146 146 GLN CB C 13 32.626 0.3 . 1 . . . A 146 GLN CB . 18933 1 637 . 1 1 146 146 GLN N N 15 129.655 0.3 . 1 . . . A 146 GLN N . 18933 1 638 . 1 1 147 147 THR H H 1 8.029 0.020 . 1 . . . A 147 THR H . 18933 1 639 . 1 1 147 147 THR C C 13 173.254 0.3 . 1 . . . A 147 THR C . 18933 1 640 . 1 1 147 147 THR CA C 13 61.721 0.3 . 1 . . . A 147 THR CA . 18933 1 641 . 1 1 147 147 THR CB C 13 70.274 0.3 . 1 . . . A 147 THR CB . 18933 1 642 . 1 1 147 147 THR N N 15 117.936 0.3 . 1 . . . A 147 THR N . 18933 1 643 . 1 1 148 148 LEU H H 1 8.635 0.020 . 1 . . . A 148 LEU H . 18933 1 644 . 1 1 148 148 LEU CA C 13 55.466 0.3 . 1 . . . A 148 LEU CA . 18933 1 645 . 1 1 148 148 LEU CB C 13 41.689 0.3 . 1 . . . A 148 LEU CB . 18933 1 646 . 1 1 148 148 LEU N N 15 130.681 0.3 . 1 . . . A 148 LEU N . 18933 1 647 . 1 1 149 149 VAL H H 1 8.968 0.020 . 1 . . . A 149 VAL H . 18933 1 648 . 1 1 149 149 VAL CA C 13 59.178 0.3 . 1 . . . A 149 VAL CA . 18933 1 649 . 1 1 149 149 VAL CB C 13 31.675 0.3 . 1 . . . A 149 VAL CB . 18933 1 650 . 1 1 149 149 VAL N N 15 130.803 0.3 . 1 . . . A 149 VAL N . 18933 1 651 . 1 1 151 151 LEU H H 1 7.872 0.020 . 1 . . . A 151 LEU H . 18933 1 652 . 1 1 151 151 LEU CA C 13 54.013 0.3 . 1 . . . A 151 LEU CA . 18933 1 653 . 1 1 151 151 LEU CB C 13 44.098 0.3 . 1 . . . A 151 LEU CB . 18933 1 654 . 1 1 151 151 LEU N N 15 124.290 0.3 . 1 . . . A 151 LEU N . 18933 1 655 . 1 1 153 153 ILE H H 1 7.125 0.020 . 1 . . . A 153 ILE H . 18933 1 656 . 1 1 153 153 ILE C C 13 175.877 0.3 . 1 . . . A 153 ILE C . 18933 1 657 . 1 1 153 153 ILE CA C 13 58.694 0.3 . 1 . . . A 153 ILE CA . 18933 1 658 . 1 1 153 153 ILE CB C 13 41.689 0.3 . 1 . . . A 153 ILE CB . 18933 1 659 . 1 1 153 153 ILE N N 15 114.943 0.3 . 1 . . . A 153 ILE N . 18933 1 660 . 1 1 154 154 THR H H 1 9.286 0.020 . 1 . . . A 154 THR H . 18933 1 661 . 1 1 154 154 THR C C 13 174.945 0.3 . 1 . . . A 154 THR C . 18933 1 662 . 1 1 154 154 THR CA C 13 62.124 0.3 . 1 . . . A 154 THR CA . 18933 1 663 . 1 1 154 154 THR CB C 13 70.718 0.3 . 1 . . . A 154 THR CB . 18933 1 664 . 1 1 154 154 THR N N 15 111.766 0.3 . 1 . . . A 154 THR N . 18933 1 665 . 1 1 155 155 THR H H 1 7.645 0.020 . 1 . . . A 155 THR H . 18933 1 666 . 1 1 155 155 THR CA C 13 58.936 0.3 . 1 . . . A 155 THR CA . 18933 1 667 . 1 1 155 155 THR CB C 13 72.683 0.3 . 1 . . . A 155 THR CB . 18933 1 668 . 1 1 155 155 THR N N 15 111.766 0.3 . 1 . . . A 155 THR N . 18933 1 669 . 1 1 157 157 LYS H H 1 8.175 0.020 . 1 . . . A 157 LYS H . 18933 1 670 . 1 1 157 157 LYS C C 13 178.781 0.3 . 1 . . . A 157 LYS C . 18933 1 671 . 1 1 157 157 LYS CA C 13 60.026 0.3 . 1 . . . A 157 LYS CA . 18933 1 672 . 1 1 157 157 LYS CB C 13 31.422 0.3 . 1 . . . A 157 LYS CB . 18933 1 673 . 1 1 157 157 LYS N N 15 119.464 0.3 . 1 . . . A 157 LYS N . 18933 1 674 . 1 1 158 158 GLU H H 1 7.519 0.020 . 1 . . . A 158 GLU H . 18933 1 675 . 1 1 158 158 GLU C C 13 178.867 0.3 . 1 . . . A 158 GLU C . 18933 1 676 . 1 1 158 158 GLU CA C 13 58.492 0.3 . 1 . . . A 158 GLU CA . 18933 1 677 . 1 1 158 158 GLU CB C 13 29.330 0.3 . 1 . . . A 158 GLU CB . 18933 1 678 . 1 1 158 158 GLU N N 15 118.340 0.3 . 1 . . . A 158 GLU N . 18933 1 679 . 1 1 159 159 LEU H H 1 7.524 0.020 . 1 . . . A 159 LEU H . 18933 1 680 . 1 1 159 159 LEU C C 13 176.526 0.3 . 1 . . . A 159 LEU C . 18933 1 681 . 1 1 159 159 LEU CA C 13 58.170 0.3 . 1 . . . A 159 LEU CA . 18933 1 682 . 1 1 159 159 LEU CB C 13 39.915 0.3 . 1 . . . A 159 LEU CB . 18933 1 683 . 1 1 159 159 LEU N N 15 120.710 0.3 . 1 . . . A 159 LEU N . 18933 1 684 . 1 1 160 160 ILE H H 1 7.741 0.020 . 1 . . . A 160 ILE H . 18933 1 685 . 1 1 160 160 ILE C C 13 177.213 0.3 . 1 . . . A 160 ILE C . 18933 1 686 . 1 1 160 160 ILE CA C 13 65.030 0.3 . 1 . . . A 160 ILE CA . 18933 1 687 . 1 1 160 160 ILE CB C 13 37.506 0.3 . 1 . . . A 160 ILE CB . 18933 1 688 . 1 1 160 160 ILE N N 15 118.217 0.3 . 1 . . . A 160 ILE N . 18933 1 689 . 1 1 161 161 LYS H H 1 7.382 0.020 . 1 . . . A 161 LYS H . 18933 1 690 . 1 1 161 161 LYS C C 13 180.999 0.3 . 1 . . . A 161 LYS C . 18933 1 691 . 1 1 161 161 LYS CA C 13 58.815 0.3 . 1 . . . A 161 LYS CA . 18933 1 692 . 1 1 161 161 LYS CB C 13 30.978 0.3 . 1 . . . A 161 LYS CB . 18933 1 693 . 1 1 161 161 LYS N N 15 118.450 0.3 . 1 . . . A 161 LYS N . 18933 1 694 . 1 1 162 162 GLU H H 1 8.210 0.020 . 1 . . . A 162 GLU H . 18933 1 695 . 1 1 162 162 GLU C C 13 178.818 0.3 . 1 . . . A 162 GLU C . 18933 1 696 . 1 1 162 162 GLU CA C 13 58.049 0.3 . 1 . . . A 162 GLU CA . 18933 1 697 . 1 1 162 162 GLU CB C 13 27.936 0.3 . 1 . . . A 162 GLU CB . 18933 1 698 . 1 1 162 162 GLU N N 15 121.846 0.3 . 1 . . . A 162 GLU N . 18933 1 699 . 1 1 163 163 LEU H H 1 7.796 0.020 . 1 . . . A 163 LEU H . 18933 1 700 . 1 1 163 163 LEU C C 13 176.784 0.3 . 1 . . . A 163 LEU C . 18933 1 701 . 1 1 163 163 LEU CA C 13 55.022 0.3 . 1 . . . A 163 LEU CA . 18933 1 702 . 1 1 163 163 LEU CB C 13 41.309 0.3 . 1 . . . A 163 LEU CB . 18933 1 703 . 1 1 163 163 LEU N N 15 116.751 0.3 . 1 . . . A 163 LEU N . 18933 1 704 . 1 1 164 164 GLY H H 1 7.589 0.020 . 1 . . . A 164 GLY H . 18933 1 705 . 1 1 164 164 GLY C C 13 174.492 0.3 . 1 . . . A 164 GLY C . 18933 1 706 . 1 1 164 164 GLY CA C 13 44.732 0.3 . 1 . . . A 164 GLY CA . 18933 1 707 . 1 1 164 164 GLY N N 15 104.849 0.3 . 1 . . . A 164 GLY N . 18933 1 708 . 1 1 165 165 PHE H H 1 7.251 0.020 . 1 . . . A 165 PHE H . 18933 1 709 . 1 1 165 165 PHE CA C 13 55.668 0.3 . 1 . . . A 165 PHE CA . 18933 1 710 . 1 1 165 165 PHE CB C 13 40.485 0.3 . 1 . . . A 165 PHE CB . 18933 1 711 . 1 1 165 165 PHE N N 15 118.902 0.3 . 1 . . . A 165 PHE N . 18933 1 712 . 1 1 166 166 THR H H 1 8.407 0.020 . 1 . . . A 166 THR H . 18933 1 713 . 1 1 166 166 THR CA C 13 62.245 0.3 . 1 . . . A 166 THR CA . 18933 1 714 . 1 1 166 166 THR CB C 13 69.323 0.3 . 1 . . . A 166 THR CB . 18933 1 715 . 1 1 166 166 THR N N 15 117.093 0.3 . 1 . . . A 166 THR N . 18933 1 716 . 1 1 168 168 ARG H H 1 7.160 0.020 . 1 . . . A 168 ARG H . 18933 1 717 . 1 1 168 168 ARG CA C 13 52.238 0.3 . 1 . . . A 168 ARG CA . 18933 1 718 . 1 1 168 168 ARG CB C 13 31.992 0.3 . 1 . . . A 168 ARG CB . 18933 1 719 . 1 1 168 168 ARG N N 15 127.431 0.3 . 1 . . . A 168 ARG N . 18933 1 720 . 1 1 171 171 LYS H H 1 8.210 0.020 . 1 . . . A 171 LYS H . 18933 1 721 . 1 1 171 171 LYS C C 13 176.416 0.3 . 1 . . . A 171 LYS C . 18933 1 722 . 1 1 171 171 LYS CA C 13 57.605 0.3 . 1 . . . A 171 LYS CA . 18933 1 723 . 1 1 171 171 LYS CB C 13 31.929 0.3 . 1 . . . A 171 LYS CB . 18933 1 724 . 1 1 171 171 LYS N N 15 113.574 0.3 . 1 . . . A 171 LYS N . 18933 1 725 . 1 1 172 172 LYS H H 1 7.761 0.020 . 1 . . . A 172 LYS H . 18933 1 726 . 1 1 172 172 LYS C C 13 175.717 0.3 . 1 . . . A 172 LYS C . 18933 1 727 . 1 1 172 172 LYS CA C 13 54.175 0.3 . 1 . . . A 172 LYS CA . 18933 1 728 . 1 1 172 172 LYS CB C 13 31.612 0.3 . 1 . . . A 172 LYS CB . 18933 1 729 . 1 1 172 172 LYS N N 15 117.313 0.3 . 1 . . . A 172 LYS N . 18933 1 730 . 1 1 173 173 ARG H H 1 6.885 0.020 . 1 . . . A 173 ARG H . 18933 1 731 . 1 1 173 173 ARG C C 13 172.850 0.3 . 1 . . . A 173 ARG C . 18933 1 732 . 1 1 173 173 ARG CA C 13 56.878 0.3 . 1 . . . A 173 ARG CA . 18933 1 733 . 1 1 173 173 ARG CB C 13 28.506 0.3 . 1 . . . A 173 ARG CB . 18933 1 734 . 1 1 173 173 ARG N N 15 122.056 0.3 . 1 . . . A 173 ARG N . 18933 1 735 . 1 1 174 174 LEU H H 1 7.150 0.020 . 1 . . . A 174 LEU H . 18933 1 736 . 1 1 174 174 LEU CA C 13 56.878 0.3 . 1 . . . A 174 LEU CA . 18933 1 737 . 1 1 174 174 LEU CB C 13 44.098 0.3 . 1 . . . A 174 LEU CB . 18933 1 738 . 1 1 174 174 LEU N N 15 128.640 0.3 . 1 . . . A 174 LEU N . 18933 1 stop_ save_