data_18340 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18340 _Entry.Title ; Structural Mechanism for Bax Inhibition by Cytomegalovirus Protein vMIA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-20 _Entry.Accession_date 2012-03-20 _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 Junhe Ma . . . 18340 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 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'Structure-Function Studies of Tight Junction Membrane Proteins' . 18340 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Bax . 18340 vMIA . 18340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 38 18340 '15N chemical shifts' 11 18340 '1H chemical shifts' 124 18340 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 . . 2013-02-11 2012-03-20 update BMRB 'update entry citation' 18340 1 . . 2012-12-04 2012-03-20 original author 'original release' 18340 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1F16 . 18340 PDB 2LR1 'BMRB Entry Tracking System' 18340 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18340 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23213219 _Citation.Full_citation . _Citation.Title 'Structural mechanism of Bax inhibition by cytomegalovirus protein vMIA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 51 _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 20901 _Citation.Page_last 20906 _Citation.Year 2012 _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 Junhe Ma . . . 18340 1 2 Frank Edlich . . . 18340 1 3 Guillermo Bermejo . A. . 18340 1 4 Kristi Norris . L. . 18340 1 5 Richard Youle . J. . 18340 1 6 Nico Tjandra . . . 18340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18340 _Assembly.ID 1 _Assembly.Name Bax+vMIA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 Bax 1 $entity_1 A . yes native no no . . . 18340 1 2 vMIA 2 $entity_2 B . yes native no no . . . 18340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18340 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MDGSGEQPRGGGPTSSEQIM KTGALLLQGFIQDRAGRMGG EAPELALDPVPQDASTKKLS ECLKRIGDELDSNMELQRMI AAVDTDSPREVFFRVAADMF SDGNFNWGRVVALFYFASKL VLKALCTKVPELIRTIMGWT LDFLRERLLGWIQDQGGWDG LLSYFGTPTWQTVTIFVAGV LTASLTIWKKMG ; _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 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21204.494 _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 4632 . "PROTEIN (APOPTOSIS REGULATOR BAX, MEMBRANE ISOFORM ALPHA)" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 2 no PDB 1F16 . "Solution Structure Of A Pro-Apoptotic Protein Bax" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 3 no PDB 2K7W . "Bax Activation Is Initiated At A Novel Interaction Site" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 4 no PDB 2LR1 . "Structural Mechanism For Bax Inhibition By Cytomegalovirus Protein Vmia" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 5 no PDB 4BD2 . "Bax Domain Swapped Dimer In Complex With Bidbh3" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 18340 1 6 no PDB 4BD6 . "Bax Domain Swapped Dimer In Complex With Baxbh3" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 18340 1 7 no PDB 4BD7 . "Bax Domain Swapped Dimer Induced By Octylmaltoside" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 18340 1 8 no PDB 4BD8 . "Bax Domain Swapped Dimer Induced By Bimbh3 With Chaps" . . . . . 89.06 174 98.83 98.83 1.61e-117 . . . . 18340 1 9 no PDB 4ZIE . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 18340 1 10 no PDB 4ZIF . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3mini" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 18340 1 11 no PDB 4ZIG . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bidbh3mini" . . . . . 86.98 168 98.20 98.80 2.05e-113 . . . . 18340 1 12 no PDB 4ZIH . "Crystal Structure Of Core/latch Dimer Of Bax In Complex With Bimbh3mini" . . . . . 85.42 167 98.78 98.78 2.03e-111 . . . . 18340 1 13 no PDB 4ZII . "Crystal Structure Of Core/latch Dimer Of Baxi66a In Complex With Bidbh3" . . . . . 88.54 170 98.82 98.82 1.27e-116 . . . . 18340 1 14 no DBJ BAC53619 . "Bax [Canis lupus familiaris]" . . . . . 100.00 192 97.40 98.44 2.19e-131 . . . . 18340 1 15 no DBJ BAF83765 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 16 no DBJ BAI46883 . "BCL2-associated X protein [synthetic construct]" . . . . . 84.38 218 98.77 98.77 5.99e-109 . . . . 18340 1 17 no EMBL CAD10744 . "bax isoform psi [Homo sapiens]" . . . . . 90.10 173 100.00 100.00 1.52e-120 . . . . 18340 1 18 no EMBL CCF78739 . "Bcl associated protein x, partial [Bubalus bubalis]" . . . . . 74.48 150 98.60 99.30 7.68e-96 . . . . 18340 1 19 no GB AAA03619 . "Bax alpha [Homo sapiens]" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 20 no GB AAA03620 . "Bax beta [Homo sapiens]" . . . . . 84.38 218 98.77 98.77 5.99e-109 . . . . 18340 1 21 no GB AAC48806 . "bax-alpha [Bos taurus]" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 18340 1 22 no GB AAD22706 . "bax epsilon [Homo sapiens]" . . . . . 64.58 164 100.00 100.00 1.34e-80 . . . . 18340 1 23 no GB AAF82094 . "Bax zeta [Homo sapiens]" . . . . . 59.38 114 100.00 100.00 5.36e-75 . . . . 18340 1 24 no REF NP_001003011 . "apoptosis regulator BAX [Canis lupus familiaris]" . . . . . 100.00 192 97.40 98.44 2.19e-131 . . . . 18340 1 25 no REF NP_001247945 . "apoptosis regulator BAX [Macaca mulatta]" . . . . . 100.00 192 98.44 98.96 2.03e-133 . . . . 18340 1 26 no REF NP_001278357 . "apoptosis regulator BAX isoform 1 [Homo sapiens]" . . . . . 82.29 221 100.00 100.00 1.75e-108 . . . . 18340 1 27 no REF NP_001278358 . "apoptosis regulator BAX gamma [Homo sapiens]" . . . . . 65.10 181 98.40 98.40 4.38e-81 . . . . 18340 1 28 no REF NP_001278360 . "apoptosis regulator BAX isoform zeta [Homo sapiens]" . . . . . 59.38 114 100.00 100.00 5.36e-75 . . . . 18340 1 29 no SP O02703 . "RecName: Full=Apoptosis regulator BAX" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 18340 1 30 no SP Q07812 . "RecName: Full=Apoptosis regulator BAX; AltName: Full=Bcl-2-like protein 4; Short=Bcl2-L-4" . . . . . 100.00 192 100.00 100.00 3.37e-135 . . . . 18340 1 31 no TPG DAA19512 . "TPA: apoptosis regulator BAX [Bos taurus]" . . . . . 100.00 192 97.40 98.44 1.18e-131 . . . . 18340 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 . 18340 1 2 . ASP . 18340 1 3 . GLY . 18340 1 4 . SER . 18340 1 5 . GLY . 18340 1 6 . GLU . 18340 1 7 . GLN . 18340 1 8 . PRO . 18340 1 9 . ARG . 18340 1 10 . GLY . 18340 1 11 . GLY . 18340 1 12 . GLY . 18340 1 13 . PRO . 18340 1 14 . THR . 18340 1 15 . SER . 18340 1 16 . SER . 18340 1 17 . GLU . 18340 1 18 . GLN . 18340 1 19 . ILE . 18340 1 20 . MET . 18340 1 21 . LYS . 18340 1 22 . THR . 18340 1 23 . GLY . 18340 1 24 . ALA . 18340 1 25 . LEU . 18340 1 26 . LEU . 18340 1 27 . LEU . 18340 1 28 . GLN . 18340 1 29 . GLY . 18340 1 30 . PHE . 18340 1 31 . ILE . 18340 1 32 . GLN . 18340 1 33 . ASP . 18340 1 34 . ARG . 18340 1 35 . ALA . 18340 1 36 . GLY . 18340 1 37 . ARG . 18340 1 38 . MET . 18340 1 39 . GLY . 18340 1 40 . GLY . 18340 1 41 . GLU . 18340 1 42 . ALA . 18340 1 43 . PRO . 18340 1 44 . GLU . 18340 1 45 . LEU . 18340 1 46 . ALA . 18340 1 47 . LEU . 18340 1 48 . ASP . 18340 1 49 . PRO . 18340 1 50 . VAL . 18340 1 51 . PRO . 18340 1 52 . GLN . 18340 1 53 . ASP . 18340 1 54 . ALA . 18340 1 55 . SER . 18340 1 56 . THR . 18340 1 57 . LYS . 18340 1 58 . LYS . 18340 1 59 . LEU . 18340 1 60 . SER . 18340 1 61 . GLU . 18340 1 62 . CYS . 18340 1 63 . LEU . 18340 1 64 . LYS . 18340 1 65 . ARG . 18340 1 66 . ILE . 18340 1 67 . GLY . 18340 1 68 . ASP . 18340 1 69 . GLU . 18340 1 70 . LEU . 18340 1 71 . ASP . 18340 1 72 . SER . 18340 1 73 . ASN . 18340 1 74 . MET . 18340 1 75 . GLU . 18340 1 76 . LEU . 18340 1 77 . GLN . 18340 1 78 . ARG . 18340 1 79 . MET . 18340 1 80 . ILE . 18340 1 81 . ALA . 18340 1 82 . ALA . 18340 1 83 . VAL . 18340 1 84 . ASP . 18340 1 85 . THR . 18340 1 86 . ASP . 18340 1 87 . SER . 18340 1 88 . PRO . 18340 1 89 . ARG . 18340 1 90 . GLU . 18340 1 91 . VAL . 18340 1 92 . PHE . 18340 1 93 . PHE . 18340 1 94 . ARG . 18340 1 95 . VAL . 18340 1 96 . ALA . 18340 1 97 . ALA . 18340 1 98 . ASP . 18340 1 99 . MET . 18340 1 100 . PHE . 18340 1 101 . SER . 18340 1 102 . ASP . 18340 1 103 . GLY . 18340 1 104 . ASN . 18340 1 105 . PHE . 18340 1 106 . ASN . 18340 1 107 . TRP . 18340 1 108 . GLY . 18340 1 109 . ARG . 18340 1 110 . VAL . 18340 1 111 . VAL . 18340 1 112 . ALA . 18340 1 113 . LEU . 18340 1 114 . PHE . 18340 1 115 . TYR . 18340 1 116 . PHE . 18340 1 117 . ALA . 18340 1 118 . SER . 18340 1 119 . LYS . 18340 1 120 . LEU . 18340 1 121 . VAL . 18340 1 122 . LEU . 18340 1 123 . LYS . 18340 1 124 . ALA . 18340 1 125 . LEU . 18340 1 126 . CYS . 18340 1 127 . THR . 18340 1 128 . LYS . 18340 1 129 . VAL . 18340 1 130 . PRO . 18340 1 131 . GLU . 18340 1 132 . LEU . 18340 1 133 . ILE . 18340 1 134 . ARG . 18340 1 135 . THR . 18340 1 136 . ILE . 18340 1 137 . MET . 18340 1 138 . GLY . 18340 1 139 . TRP . 18340 1 140 . THR . 18340 1 141 . LEU . 18340 1 142 . ASP . 18340 1 143 . PHE . 18340 1 144 . LEU . 18340 1 145 . ARG . 18340 1 146 . GLU . 18340 1 147 . ARG . 18340 1 148 . LEU . 18340 1 149 . LEU . 18340 1 150 . GLY . 18340 1 151 . TRP . 18340 1 152 . ILE . 18340 1 153 . GLN . 18340 1 154 . ASP . 18340 1 155 . GLN . 18340 1 156 . GLY . 18340 1 157 . GLY . 18340 1 158 . TRP . 18340 1 159 . ASP . 18340 1 160 . GLY . 18340 1 161 . LEU . 18340 1 162 . LEU . 18340 1 163 . SER . 18340 1 164 . TYR . 18340 1 165 . PHE . 18340 1 166 . GLY . 18340 1 167 . THR . 18340 1 168 . PRO . 18340 1 169 . THR . 18340 1 170 . TRP . 18340 1 171 . GLN . 18340 1 172 . THR . 18340 1 173 . VAL . 18340 1 174 . THR . 18340 1 175 . ILE . 18340 1 176 . PHE . 18340 1 177 . VAL . 18340 1 178 . ALA . 18340 1 179 . GLY . 18340 1 180 . VAL . 18340 1 181 . LEU . 18340 1 182 . THR . 18340 1 183 . ALA . 18340 1 184 . SER . 18340 1 185 . LEU . 18340 1 186 . THR . 18340 1 187 . ILE . 18340 1 188 . TRP . 18340 1 189 . LYS . 18340 1 190 . LYS . 18340 1 191 . MET . 18340 1 192 . GLY . 18340 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 18340 1 . ASP 2 2 18340 1 . GLY 3 3 18340 1 . SER 4 4 18340 1 . GLY 5 5 18340 1 . GLU 6 6 18340 1 . GLN 7 7 18340 1 . PRO 8 8 18340 1 . ARG 9 9 18340 1 . GLY 10 10 18340 1 . GLY 11 11 18340 1 . GLY 12 12 18340 1 . PRO 13 13 18340 1 . THR 14 14 18340 1 . SER 15 15 18340 1 . SER 16 16 18340 1 . GLU 17 17 18340 1 . GLN 18 18 18340 1 . ILE 19 19 18340 1 . MET 20 20 18340 1 . LYS 21 21 18340 1 . THR 22 22 18340 1 . GLY 23 23 18340 1 . ALA 24 24 18340 1 . LEU 25 25 18340 1 . LEU 26 26 18340 1 . LEU 27 27 18340 1 . GLN 28 28 18340 1 . GLY 29 29 18340 1 . PHE 30 30 18340 1 . ILE 31 31 18340 1 . GLN 32 32 18340 1 . ASP 33 33 18340 1 . ARG 34 34 18340 1 . ALA 35 35 18340 1 . GLY 36 36 18340 1 . ARG 37 37 18340 1 . MET 38 38 18340 1 . GLY 39 39 18340 1 . GLY 40 40 18340 1 . GLU 41 41 18340 1 . ALA 42 42 18340 1 . PRO 43 43 18340 1 . GLU 44 44 18340 1 . LEU 45 45 18340 1 . ALA 46 46 18340 1 . LEU 47 47 18340 1 . ASP 48 48 18340 1 . PRO 49 49 18340 1 . VAL 50 50 18340 1 . PRO 51 51 18340 1 . GLN 52 52 18340 1 . ASP 53 53 18340 1 . ALA 54 54 18340 1 . SER 55 55 18340 1 . THR 56 56 18340 1 . LYS 57 57 18340 1 . LYS 58 58 18340 1 . LEU 59 59 18340 1 . SER 60 60 18340 1 . GLU 61 61 18340 1 . CYS 62 62 18340 1 . LEU 63 63 18340 1 . LYS 64 64 18340 1 . ARG 65 65 18340 1 . ILE 66 66 18340 1 . GLY 67 67 18340 1 . ASP 68 68 18340 1 . GLU 69 69 18340 1 . LEU 70 70 18340 1 . ASP 71 71 18340 1 . SER 72 72 18340 1 . ASN 73 73 18340 1 . MET 74 74 18340 1 . GLU 75 75 18340 1 . LEU 76 76 18340 1 . GLN 77 77 18340 1 . ARG 78 78 18340 1 . MET 79 79 18340 1 . ILE 80 80 18340 1 . ALA 81 81 18340 1 . ALA 82 82 18340 1 . VAL 83 83 18340 1 . ASP 84 84 18340 1 . THR 85 85 18340 1 . ASP 86 86 18340 1 . SER 87 87 18340 1 . PRO 88 88 18340 1 . ARG 89 89 18340 1 . GLU 90 90 18340 1 . VAL 91 91 18340 1 . PHE 92 92 18340 1 . PHE 93 93 18340 1 . ARG 94 94 18340 1 . VAL 95 95 18340 1 . ALA 96 96 18340 1 . ALA 97 97 18340 1 . ASP 98 98 18340 1 . MET 99 99 18340 1 . PHE 100 100 18340 1 . SER 101 101 18340 1 . ASP 102 102 18340 1 . GLY 103 103 18340 1 . ASN 104 104 18340 1 . PHE 105 105 18340 1 . ASN 106 106 18340 1 . TRP 107 107 18340 1 . GLY 108 108 18340 1 . ARG 109 109 18340 1 . VAL 110 110 18340 1 . VAL 111 111 18340 1 . ALA 112 112 18340 1 . LEU 113 113 18340 1 . PHE 114 114 18340 1 . TYR 115 115 18340 1 . PHE 116 116 18340 1 . ALA 117 117 18340 1 . SER 118 118 18340 1 . LYS 119 119 18340 1 . LEU 120 120 18340 1 . VAL 121 121 18340 1 . LEU 122 122 18340 1 . LYS 123 123 18340 1 . ALA 124 124 18340 1 . LEU 125 125 18340 1 . CYS 126 126 18340 1 . THR 127 127 18340 1 . LYS 128 128 18340 1 . VAL 129 129 18340 1 . PRO 130 130 18340 1 . GLU 131 131 18340 1 . LEU 132 132 18340 1 . ILE 133 133 18340 1 . ARG 134 134 18340 1 . THR 135 135 18340 1 . ILE 136 136 18340 1 . MET 137 137 18340 1 . GLY 138 138 18340 1 . TRP 139 139 18340 1 . THR 140 140 18340 1 . LEU 141 141 18340 1 . ASP 142 142 18340 1 . PHE 143 143 18340 1 . LEU 144 144 18340 1 . ARG 145 145 18340 1 . GLU 146 146 18340 1 . ARG 147 147 18340 1 . LEU 148 148 18340 1 . LEU 149 149 18340 1 . GLY 150 150 18340 1 . TRP 151 151 18340 1 . ILE 152 152 18340 1 . GLN 153 153 18340 1 . ASP 154 154 18340 1 . GLN 155 155 18340 1 . GLY 156 156 18340 1 . GLY 157 157 18340 1 . TRP 158 158 18340 1 . ASP 159 159 18340 1 . GLY 160 160 18340 1 . LEU 161 161 18340 1 . LEU 162 162 18340 1 . SER 163 163 18340 1 . TYR 164 164 18340 1 . PHE 165 165 18340 1 . GLY 166 166 18340 1 . THR 167 167 18340 1 . PRO 168 168 18340 1 . THR 169 169 18340 1 . TRP 170 170 18340 1 . GLN 171 171 18340 1 . THR 172 172 18340 1 . VAL 173 173 18340 1 . THR 174 174 18340 1 . ILE 175 175 18340 1 . PHE 176 176 18340 1 . VAL 177 177 18340 1 . ALA 178 178 18340 1 . GLY 179 179 18340 1 . VAL 180 180 18340 1 . LEU 181 181 18340 1 . THR 182 182 18340 1 . ALA 183 183 18340 1 . SER 184 184 18340 1 . LEU 185 185 18340 1 . THR 186 186 18340 1 . ILE 187 187 18340 1 . TRP 188 188 18340 1 . LYS 189 189 18340 1 . LYS 190 190 18340 1 . MET 191 191 18340 1 . GLY 192 192 18340 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18340 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CEALKKALRRHRFLWQRRQR A ; _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2732.313 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LR1 . "Structural Mechanism For Bax Inhibition By Cytomegalovirus Protein Vmia" . . . . . 100.00 21 100.00 100.00 4.32e-04 . . . . 18340 2 2 no EMBL CAA35396 . "HCMVUL37 [Human herpesvirus 5]" . . . . . 100.00 487 100.00 100.00 6.91e-04 . . . . 18340 2 3 no GB AAK01675 . "immediate early protein UL37 [Human herpesvirus 5]" . . . . . 100.00 162 100.00 100.00 1.89e-04 . . . . 18340 2 4 no GB AAK01676 . "immediate early protein UL37 [Human herpesvirus 5]" . . . . . 76.19 162 100.00 100.00 1.86e-01 . . . . 18340 2 5 no GB AAK01677 . "immediate early protein UL37 [Human herpesvirus 5]" . . . . . 100.00 161 100.00 100.00 1.65e-04 . . . . 18340 2 6 no GB AAK01678 . "immediate early protein UL37 [Human herpesvirus 5]" . . . . . 76.19 162 100.00 100.00 1.86e-01 . . . . 18340 2 7 no GB AAK01679 . "immediate early protein UL37 [Human herpesvirus 5]" . . . . . 76.19 162 100.00 100.00 1.86e-01 . . . . 18340 2 8 no REF YP_081496 . "envelope glycoprotein UL37 [Human herpesvirus 5]" . . . . . 76.19 488 100.00 100.00 4.44e-01 . . . . 18340 2 9 no SP P16778 . "RecName: Full=UL37 immediate early glycoprotein; Flags: Precursor [Human herpesvirus 5 strain AD169]" . . . . . 100.00 487 100.00 100.00 6.91e-04 . . . . 18340 2 10 no SP Q6SW94 . "RecName: Full=UL37 immediate early glycoprotein; Flags: Precursor [Human herpesvirus 5 strain Merlin]" . . . . . 76.19 488 100.00 100.00 4.44e-01 . . . . 18340 2 11 no TPG DAA00142 . "TPA: envelope glycoprotein UL37 [Human herpesvirus 5]" . . . . . 100.00 487 100.00 100.00 6.91e-04 . . . . 18340 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 . CYS . 18340 2 2 . GLU . 18340 2 3 . ALA . 18340 2 4 . LEU . 18340 2 5 . LYS . 18340 2 6 . LYS . 18340 2 7 . ALA . 18340 2 8 . LEU . 18340 2 9 . ARG . 18340 2 10 . ARG . 18340 2 11 . HIS . 18340 2 12 . ARG . 18340 2 13 . PHE . 18340 2 14 . LEU . 18340 2 15 . TRP . 18340 2 16 . GLN . 18340 2 17 . ARG . 18340 2 18 . ARG . 18340 2 19 . GLN . 18340 2 20 . ARG . 18340 2 21 . ALA . 18340 2 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 . CYS 1 1 18340 2 . GLU 2 2 18340 2 . ALA 3 3 18340 2 . LEU 4 4 18340 2 . LYS 5 5 18340 2 . LYS 6 6 18340 2 . ALA 7 7 18340 2 . LEU 8 8 18340 2 . ARG 9 9 18340 2 . ARG 10 10 18340 2 . HIS 11 11 18340 2 . ARG 12 12 18340 2 . PHE 13 13 18340 2 . LEU 14 14 18340 2 . TRP 15 15 18340 2 . GLN 16 16 18340 2 . ARG 17 17 18340 2 . ARG 18 18 18340 2 . GLN 19 19 18340 2 . ARG 20 20 18340 2 . ALA 21 21 18340 2 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 18340 _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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18340 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18340 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 18340 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 18340 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18340 _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_1 'natural abundance' . . 1 $entity_1 . . 0.1 . . mM . . . . 18340 1 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.1 . . mM . . . . 18340 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18340 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 18340 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18340 1 6 DTT 'natural abundance' . . . . . . 0 . . mM . . . . 18340 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18340 _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_1 '[U-100% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 18340 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.1 . . mM . . . . 18340 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18340 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 18340 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18340 2 6 DTT 'natural abundance' . . . . . . 0 . . mM . . . . 18340 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 18340 _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' 20 . mM 18340 1 pH 6.2 . pH 18340 1 pressure 1 . atm 18340 1 temperature 310 . K 18340 1 stop_ save_ ############################ # Computer software used # ############################ save_xplor _Software.Sf_category software _Software.Sf_framecode xplor _Software.Entry_ID 18340 _Software.ID 1 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18340 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18340 1 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 18340 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18340 _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 . . . 18340 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 18340 _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 . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 1 10 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18340 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 18340 _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 . . . . . . . . . 18340 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18340 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18340 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 18340 _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' . . . 18340 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 . 2 2 2 2 GLU H H 1 8.5528 0.02 . 1 . . . B 131 GLU H . 18340 1 2 . 2 2 2 2 GLU HA H 1 4.0841 0.02 . 1 . . . B 131 GLU HA . 18340 1 3 . 2 2 2 2 GLU HB2 H 1 1.9934 0.02 . 2 . . . B 131 GLU HB2 . 18340 1 4 . 2 2 2 2 GLU HB3 H 1 1.9934 0.02 . 2 . . . B 131 GLU HB3 . 18340 1 5 . 2 2 2 2 GLU HG2 H 1 2.3759 0.02 . 2 . . . B 131 GLU HG2 . 18340 1 6 . 2 2 2 2 GLU HG3 H 1 2.3759 0.02 . 2 . . . B 131 GLU HG3 . 18340 1 7 . 2 2 3 3 ALA H H 1 8.6009 0.02 . 1 . . . B 132 ALA H . 18340 1 8 . 2 2 3 3 ALA HA H 1 4.1599 0.02 . 1 . . . B 132 ALA HA . 18340 1 9 . 2 2 3 3 ALA HB1 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB1 . 18340 1 10 . 2 2 3 3 ALA HB2 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB2 . 18340 1 11 . 2 2 3 3 ALA HB3 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB3 . 18340 1 12 . 2 2 3 3 ALA CA C 13 53.6900 0.30 . 1 . . . B 132 ALA CA . 18340 1 13 . 2 2 3 3 ALA CB C 13 18.5000 0.30 . 1 . . . B 132 ALA CB . 18340 1 14 . 2 2 3 3 ALA N N 15 123.3000 0.30 . 1 . . . B 132 ALA N . 18340 1 15 . 2 2 4 4 LEU H H 1 7.9840 0.02 . 1 . . . B 133 LEU H . 18340 1 16 . 2 2 4 4 LEU HA H 1 4.2134 0.02 . 1 . . . B 133 LEU HA . 18340 1 17 . 2 2 4 4 LEU HB2 H 1 1.6497 0.02 . 2 . . . B 133 LEU HB2 . 18340 1 18 . 2 2 4 4 LEU HB3 H 1 1.6497 0.02 . 2 . . . B 133 LEU HB3 . 18340 1 19 . 2 2 4 4 LEU HG H 1 1.5138 0.02 . 1 . . . B 133 LEU HG . 18340 1 20 . 2 2 4 4 LEU HD11 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD11 . 18340 1 21 . 2 2 4 4 LEU HD12 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD12 . 18340 1 22 . 2 2 4 4 LEU HD13 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD13 . 18340 1 23 . 2 2 4 4 LEU HD21 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD21 . 18340 1 24 . 2 2 4 4 LEU HD22 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD22 . 18340 1 25 . 2 2 4 4 LEU HD23 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD23 . 18340 1 26 . 2 2 4 4 LEU CA C 13 55.9500 0.30 . 1 . . . B 133 LEU CA . 18340 1 27 . 2 2 4 4 LEU CB C 13 42.0200 0.30 . 1 . . . B 133 LEU CB . 18340 1 28 . 2 2 4 4 LEU CG C 13 26.7965 0.30 . 1 . . . B 133 LEU CG . 18340 1 29 . 2 2 4 4 LEU CD1 C 13 24.5637 0.30 . 1 . . . B 133 LEU CD1 . 18340 1 30 . 2 2 4 4 LEU CD2 C 13 24.5637 0.30 . 1 . . . B 133 LEU CD2 . 18340 1 31 . 2 2 4 4 LEU N N 15 120.4000 0.30 . 1 . . . B 133 LEU N . 18340 1 32 . 2 2 5 5 LYS H H 1 7.9880 0.02 . 1 . . . B 134 LYS H . 18340 1 33 . 2 2 5 5 LYS HA H 1 4.1397 0.02 . 1 . . . B 134 LYS HA . 18340 1 34 . 2 2 5 5 LYS HB2 H 1 2.2331 0.02 . 2 . . . B 134 LYS HB2 . 18340 1 35 . 2 2 5 5 LYS HB3 H 1 2.2331 0.02 . 2 . . . B 134 LYS HB3 . 18340 1 36 . 2 2 5 5 LYS HG2 H 1 1.4954 0.02 . 2 . . . B 134 LYS HG2 . 18340 1 37 . 2 2 5 5 LYS HG3 H 1 1.4954 0.02 . 2 . . . B 134 LYS HG3 . 18340 1 38 . 2 2 5 5 LYS HD2 H 1 1.8090 0.02 . 2 . . . B 134 LYS HD2 . 18340 1 39 . 2 2 5 5 LYS HD3 H 1 1.8090 0.02 . 2 . . . B 134 LYS HD3 . 18340 1 40 . 2 2 5 5 LYS HE2 H 1 2.9300 0.02 . 2 . . . B 134 LYS HE2 . 18340 1 41 . 2 2 5 5 LYS HE3 H 1 2.9300 0.02 . 2 . . . B 134 LYS HE3 . 18340 1 42 . 2 2 5 5 LYS CA C 13 57.7900 0.30 . 1 . . . B 134 LYS CA . 18340 1 43 . 2 2 5 5 LYS CB C 13 32.6900 0.30 . 1 . . . B 134 LYS CB . 18340 1 44 . 2 2 5 5 LYS CG C 13 55.2481 0.30 . 1 . . . B 134 LYS CG . 18340 1 45 . 2 2 5 5 LYS N N 15 120.7000 0.30 . 1 . . . B 134 LYS N . 18340 1 46 . 2 2 6 6 LYS H H 1 8.4054 0.02 . 1 . . . B 135 LYS H . 18340 1 47 . 2 2 6 6 LYS HA H 1 4.1220 0.02 . 1 . . . B 135 LYS HA . 18340 1 48 . 2 2 6 6 LYS HB2 H 1 1.8148 0.02 . 2 . . . B 135 LYS HB2 . 18340 1 49 . 2 2 6 6 LYS HB3 H 1 1.8148 0.02 . 2 . . . B 135 LYS HB3 . 18340 1 50 . 2 2 6 6 LYS HG2 H 1 1.3858 0.02 . 2 . . . B 135 LYS HG2 . 18340 1 51 . 2 2 6 6 LYS HG3 H 1 1.3858 0.02 . 2 . . . B 135 LYS HG3 . 18340 1 52 . 2 2 6 6 LYS HD2 H 1 1.6706 0.02 . 2 . . . B 135 LYS HD2 . 18340 1 53 . 2 2 6 6 LYS HD3 H 1 1.6706 0.02 . 2 . . . B 135 LYS HD3 . 18340 1 54 . 2 2 6 6 LYS CA C 13 57.6381 0.30 . 1 . . . B 135 LYS CA . 18340 1 55 . 2 2 6 6 LYS CB C 13 32.8600 0.30 . 1 . . . B 135 LYS CB . 18340 1 56 . 2 2 6 6 LYS CG C 13 55.2434 0.30 . 1 . . . B 135 LYS CG . 18340 1 57 . 2 2 6 6 LYS CD C 13 59.4294 0.30 . 1 . . . B 135 LYS CD . 18340 1 58 . 2 2 6 6 LYS N N 15 120.9000 0.30 . 1 . . . B 135 LYS N . 18340 1 59 . 2 2 7 7 ALA H H 1 8.0854 0.02 . 1 . . . B 136 ALA H . 18340 1 60 . 2 2 7 7 ALA HA H 1 4.1839 0.02 . 1 . . . B 136 ALA HA . 18340 1 61 . 2 2 7 7 ALA HB1 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB1 . 18340 1 62 . 2 2 7 7 ALA HB2 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB2 . 18340 1 63 . 2 2 7 7 ALA HB3 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB3 . 18340 1 64 . 2 2 7 7 ALA CA C 13 53.2100 0.30 . 1 . . . B 136 ALA CA . 18340 1 65 . 2 2 7 7 ALA CB C 13 18.7700 0.30 . 1 . . . B 136 ALA CB . 18340 1 66 . 2 2 7 7 ALA N N 15 123.9000 0.30 . 1 . . . B 136 ALA N . 18340 1 67 . 2 2 8 8 LEU H H 1 8.1910 0.02 . 1 . . . B 137 LEU H . 18340 1 68 . 2 2 8 8 LEU HA H 1 4.2441 0.02 . 1 . . . B 137 LEU HA . 18340 1 69 . 2 2 8 8 LEU HB2 H 1 1.6840 0.02 . 2 . . . B 137 LEU HB2 . 18340 1 70 . 2 2 8 8 LEU HB3 H 1 1.6840 0.02 . 2 . . . B 137 LEU HB3 . 18340 1 71 . 2 2 8 8 LEU HG H 1 1.6762 0.02 . 1 . . . B 137 LEU HG . 18340 1 72 . 2 2 8 8 LEU HD11 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD11 . 18340 1 73 . 2 2 8 8 LEU HD12 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD12 . 18340 1 74 . 2 2 8 8 LEU HD13 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD13 . 18340 1 75 . 2 2 8 8 LEU HD21 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD21 . 18340 1 76 . 2 2 8 8 LEU HD22 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD22 . 18340 1 77 . 2 2 8 8 LEU HD23 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD23 . 18340 1 78 . 2 2 8 8 LEU CA C 13 55.9469 0.30 . 1 . . . B 137 LEU CA . 18340 1 79 . 2 2 8 8 LEU CB C 13 42.2381 0.30 . 1 . . . B 137 LEU CB . 18340 1 80 . 2 2 8 8 LEU CG C 13 57.0813 0.30 . 1 . . . B 137 LEU CG . 18340 1 81 . 2 2 8 8 LEU CD1 C 13 55.1355 0.30 . 1 . . . B 137 LEU CD1 . 18340 1 82 . 2 2 8 8 LEU CD2 C 13 55.1355 0.30 . 1 . . . B 137 LEU CD2 . 18340 1 83 . 2 2 8 8 LEU N N 15 120.6000 0.30 . 1 . . . B 137 LEU N . 18340 1 84 . 2 2 9 9 ARG H H 1 8.0990 0.02 . 1 . . . B 138 ARG H . 18340 1 85 . 2 2 9 9 ARG HA H 1 4.1657 0.02 . 1 . . . B 138 ARG HA . 18340 1 86 . 2 2 9 9 ARG HB2 H 1 1.7946 0.02 . 2 . . . B 138 ARG HB2 . 18340 1 87 . 2 2 9 9 ARG HB3 H 1 1.7946 0.02 . 2 . . . B 138 ARG HB3 . 18340 1 88 . 2 2 9 9 ARG HG2 H 1 1.5715 0.02 . 2 . . . B 138 ARG HG2 . 18340 1 89 . 2 2 9 9 ARG HG3 H 1 1.5715 0.02 . 2 . . . B 138 ARG HG3 . 18340 1 90 . 2 2 10 10 ARG H H 1 8.1630 0.02 . 1 . . . B 139 ARG H . 18340 1 91 . 2 2 10 10 ARG HA H 1 4.2030 0.02 . 1 . . . B 139 ARG HA . 18340 1 92 . 2 2 10 10 ARG HB2 H 1 1.7630 0.02 . 2 . . . B 139 ARG HB2 . 18340 1 93 . 2 2 10 10 ARG HB3 H 1 1.7630 0.02 . 2 . . . B 139 ARG HB3 . 18340 1 94 . 2 2 11 11 HIS H H 1 8.4475 0.02 . 1 . . . B 140 HIS H . 18340 1 95 . 2 2 11 11 HIS HA H 1 4.5035 0.02 . 1 . . . B 140 HIS HA . 18340 1 96 . 2 2 11 11 HIS HB2 H 1 3.1460 0.02 . 2 . . . B 140 HIS HB2 . 18340 1 97 . 2 2 11 11 HIS HB3 H 1 3.1460 0.02 . 2 . . . B 140 HIS HB3 . 18340 1 98 . 2 2 12 12 ARG H H 1 8.3205 0.02 . 1 . . . B 141 ARG H . 18340 1 99 . 2 2 12 12 ARG HA H 1 4.1669 0.02 . 1 . . . B 141 ARG HA . 18340 1 100 . 2 2 12 12 ARG HB2 H 1 1.7080 0.02 . 2 . . . B 141 ARG HB2 . 18340 1 101 . 2 2 12 12 ARG HB3 H 1 1.7080 0.02 . 2 . . . B 141 ARG HB3 . 18340 1 102 . 2 2 13 13 PHE H H 1 8.3012 0.02 . 1 . . . B 142 PHE H . 18340 1 103 . 2 2 13 13 PHE HA H 1 4.5173 0.02 . 1 . . . B 142 PHE HA . 18340 1 104 . 2 2 13 13 PHE HB2 H 1 2.8042 0.02 . 2 . . . B 142 PHE HB2 . 18340 1 105 . 2 2 13 13 PHE HB3 H 1 2.8042 0.02 . 2 . . . B 142 PHE HB3 . 18340 1 106 . 2 2 13 13 PHE CA C 13 58.1313 0.30 . 1 . . . B 142 PHE CA . 18340 1 107 . 2 2 13 13 PHE CB C 13 39.3500 0.30 . 1 . . . B 142 PHE CB . 18340 1 108 . 2 2 13 13 PHE CD1 C 13 132.0182 0.30 . 1 . . . B 142 PHE CD1 . 18340 1 109 . 2 2 13 13 PHE CD2 C 13 132.0182 0.30 . 1 . . . B 142 PHE CD2 . 18340 1 110 . 2 2 13 13 PHE N N 15 120.3000 0.30 . 1 . . . B 142 PHE N . 18340 1 111 . 2 2 14 14 LEU H H 1 8.2699 0.02 . 1 . . . B 143 LEU H . 18340 1 112 . 2 2 14 14 LEU HA H 1 4.2415 0.02 . 1 . . . B 143 LEU HA . 18340 1 113 . 2 2 14 14 LEU HB2 H 1 1.4567 0.02 . 2 . . . B 143 LEU HB2 . 18340 1 114 . 2 2 14 14 LEU HB3 H 1 1.4567 0.02 . 2 . . . B 143 LEU HB3 . 18340 1 115 . 2 2 14 14 LEU HG H 1 1.6179 0.02 . 1 . . . B 143 LEU HG . 18340 1 116 . 2 2 14 14 LEU HD11 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD11 . 18340 1 117 . 2 2 14 14 LEU HD12 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD12 . 18340 1 118 . 2 2 14 14 LEU HD13 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD13 . 18340 1 119 . 2 2 14 14 LEU HD21 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD21 . 18340 1 120 . 2 2 14 14 LEU HD22 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD22 . 18340 1 121 . 2 2 14 14 LEU HD23 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD23 . 18340 1 122 . 2 2 14 14 LEU CA C 13 56.0933 0.30 . 1 . . . B 143 LEU CA . 18340 1 123 . 2 2 14 14 LEU CB C 13 42.0236 0.30 . 1 . . . B 143 LEU CB . 18340 1 124 . 2 2 14 14 LEU CG C 13 57.2051 0.30 . 1 . . . B 143 LEU CG . 18340 1 125 . 2 2 14 14 LEU CD1 C 13 55.0153 0.30 . 1 . . . B 143 LEU CD1 . 18340 1 126 . 2 2 14 14 LEU CD2 C 13 55.0153 0.30 . 1 . . . B 143 LEU CD2 . 18340 1 127 . 2 2 14 14 LEU N N 15 122.8000 0.30 . 1 . . . B 143 LEU N . 18340 1 128 . 2 2 15 15 TRP H H 1 8.0430 0.02 . 1 . . . B 144 TRP H . 18340 1 129 . 2 2 15 15 TRP HA H 1 4.4390 0.02 . 1 . . . B 144 TRP HA . 18340 1 130 . 2 2 15 15 TRP HB2 H 1 3.2180 0.02 . 2 . . . B 144 TRP HB2 . 18340 1 131 . 2 2 15 15 TRP HB3 H 1 3.2180 0.02 . 2 . . . B 144 TRP HB3 . 18340 1 132 . 2 2 15 15 TRP HD1 H 1 7.2300 0.02 . 1 . . . B 144 TRP HD1 . 18340 1 133 . 2 2 15 15 TRP HE1 H 1 10.160 0.02 . 1 . . . B 144 TRP HE1 . 18340 1 134 . 2 2 16 16 GLN H H 1 8.0367 0.02 . 1 . . . B 145 GLN H . 18340 1 135 . 2 2 16 16 GLN HA H 1 4.0901 0.02 . 1 . . . B 145 GLN HA . 18340 1 136 . 2 2 16 16 GLN HB2 H 1 1.8666 0.02 . 2 . . . B 145 GLN HB2 . 18340 1 137 . 2 2 16 16 GLN HB3 H 1 1.8666 0.02 . 2 . . . B 145 GLN HB3 . 18340 1 138 . 2 2 16 16 GLN HG2 H 1 2.1259 0.02 . 2 . . . B 145 GLN HG2 . 18340 1 139 . 2 2 16 16 GLN HG3 H 1 2.1259 0.02 . 2 . . . B 145 GLN HG3 . 18340 1 140 . 2 2 16 16 GLN CA C 13 56.4910 0.30 . 1 . . . B 145 GLN CA . 18340 1 141 . 2 2 16 16 GLN CB C 13 29.2600 0.30 . 1 . . . B 145 GLN CB . 18340 1 142 . 2 2 16 16 GLN CG C 13 24.7900 0.30 . 1 . . . B 145 GLN CG . 18340 1 143 . 2 2 16 16 GLN N N 15 120.9000 0.30 . 1 . . . B 145 GLN N . 18340 1 144 . 2 2 17 17 ARG H H 1 8.0691 0.02 . 1 . . . B 146 ARG H . 18340 1 145 . 2 2 17 17 ARG HA H 1 4.0803 0.02 . 1 . . . B 146 ARG HA . 18340 1 146 . 2 2 17 17 ARG HB2 H 1 1.5349 0.02 . 2 . . . B 146 ARG HB2 . 18340 1 147 . 2 2 17 17 ARG HB3 H 1 1.5349 0.02 . 2 . . . B 146 ARG HB3 . 18340 1 148 . 2 2 18 18 ARG H H 1 8.0691 0.02 . 1 . . . B 147 ARG H . 18340 1 149 . 2 2 18 18 ARG HA H 1 4.0803 0.02 . 1 . . . B 147 ARG HA . 18340 1 150 . 2 2 18 18 ARG HB2 H 1 1.5349 0.02 . 2 . . . B 147 ARG HB2 . 18340 1 151 . 2 2 18 18 ARG HB3 H 1 1.5349 0.02 . 2 . . . B 147 ARG HB3 . 18340 1 152 . 2 2 19 19 GLN H H 1 8.3700 0.02 . 1 . . . B 148 GLN H . 18340 1 153 . 2 2 19 19 GLN HA H 1 4.0752 0.02 . 1 . . . B 148 GLN HA . 18340 1 154 . 2 2 19 19 GLN HB2 H 1 2.0468 0.02 . 2 . . . B 148 GLN HB2 . 18340 1 155 . 2 2 19 19 GLN HB3 H 1 2.0468 0.02 . 2 . . . B 148 GLN HB3 . 18340 1 156 . 2 2 19 19 GLN HG2 H 1 2.2845 0.02 . 2 . . . B 148 GLN HG2 . 18340 1 157 . 2 2 19 19 GLN HG3 H 1 2.2845 0.02 . 2 . . . B 148 GLN HG3 . 18340 1 158 . 2 2 19 19 GLN CA C 13 55.9610 0.30 . 1 . . . B 148 GLN CA . 18340 1 159 . 2 2 19 19 GLN CB C 13 29.3100 0.30 . 1 . . . B 148 GLN CB . 18340 1 160 . 2 2 19 19 GLN CG C 13 24.7900 0.30 . 1 . . . B 148 GLN CG . 18340 1 161 . 2 2 19 19 GLN N N 15 121.6000 0.30 . 1 . . . B 148 GLN N . 18340 1 162 . 2 2 20 20 ARG H H 1 8.1950 0.02 . 1 . . . B 149 ARG H . 18340 1 163 . 2 2 20 20 ARG HA H 1 4.0614 0.02 . 1 . . . B 149 ARG HA . 18340 1 164 . 2 2 20 20 ARG HB2 H 1 1.6978 0.02 . 2 . . . B 149 ARG HB2 . 18340 1 165 . 2 2 20 20 ARG HB3 H 1 1.6978 0.02 . 2 . . . B 149 ARG HB3 . 18340 1 166 . 2 2 21 21 ALA H H 1 8.3802 0.02 . 1 . . . B 150 ALA H . 18340 1 167 . 2 2 21 21 ALA HA H 1 4.25572 0.02 . 1 . . . B 150 ALA HA . 18340 1 168 . 2 2 21 21 ALA HB1 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB1 . 18340 1 169 . 2 2 21 21 ALA HB2 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB2 . 18340 1 170 . 2 2 21 21 ALA HB3 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB3 . 18340 1 171 . 2 2 21 21 ALA CA C 13 52.3100 0.30 . 1 . . . B 150 ALA CA . 18340 1 172 . 2 2 21 21 ALA CB C 13 19.5100 0.30 . 1 . . . B 150 ALA CB . 18340 1 173 . 2 2 21 21 ALA N N 15 126.0000 0.30 . 1 . . . B 150 ALA N . 18340 1 stop_ save_