data_16867 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16867 _Entry.Title ; VAMP7(1-180):CYTOPLASMIC DOMAIN OF VAMP7. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-14 _Entry.Accession_date 2010-04-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H{15N}-heteronuclear single-quantum coherence (HSQC) spectrum of the cytoplasmic domain of VAMP7, comprising longin domain and SNARE core.' _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 Sandro Vivona . . . 16867 2 Corey Liu . W. . 16867 3 Pavel Strop . . . 16867 4 Valeria Rossi . . . 16867 5 Francesco Filippini . . . 16867 6 Axel Brunger . T. . 16867 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'UNIVERSITY OF PADUA' . 16867 1 . 'STANFORD UNIVERSITY' . 16867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 117 16867 '1H chemical shifts' 117 16867 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 . . 2010-06-09 2010-04-14 update BMRB 'complete entry citation' 16867 1 . . 2010-04-29 2010-04-14 original author 'original release' 16867 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16866 VAMP7(1-118) 16867 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16867 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20378544 _Citation.Full_citation . _Citation.Title 'The longin SNARE VAMP7/TI-VAMP adopts a closed conformation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 23 _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 17965 _Citation.Page_last 17973 _Citation.Year 2010 _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 Sandro Vivona . . . 16867 1 2 Corey Liu . W. . 16867 1 3 Pavel Strop . . . 16867 1 4 Valeria Rossi . . . 16867 1 5 Francesco Filippini . . . 16867 1 6 Axel Brunger . T. . 16867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16867 _Assembly.ID 1 _Assembly.Name VAMP7(1-180) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20700 _Assembly.Enzyme_commission_number . _Assembly.Details 'A single monomeric polypeptide chain of VAMP7(1-180)' _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 VAMP7(1-180) 1 $VAMP7(1-180) A . yes native no no . . . 16867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VAMP7(1-180) _Entity.Sf_category entity _Entity.Sf_framecode VAMP7(1-180) _Entity.Entry_ID 16867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VAMP7(1-180) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGMAILFAVVARGTTILAK HAWCGGNFLEVTEQILAKIP SENNKLTYSHGNYLFHYICQ DRIVYLCITDDDFERSRAFN FLNEIKKRFQTTYGSRAQTA LPYAMNSEFSSVLAAQLKHH SENKGLDKVMETQAQVDELK GIMVRNIDLVAQRGERLELL IDKTENLVDSSVTFKTTSRN LAR ; _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16866 . VAMP7(1-118) . . . . . 66.12 121 100.00 100.00 1.67e-85 . . . . 16867 1 2 no PDB 2DMW . "Solution Structure Of The Longin Domain Of Synaptobrevin- Like Protein 1" . . . . . 65.57 131 98.33 98.33 1.40e-82 . . . . 16867 1 3 no PDB 2VX8 . "Vamp7 Longin Domain Hrb Peptide Complex" . . . . . 66.12 169 98.35 100.00 1.77e-84 . . . . 16867 1 4 no PDB 4AFI . "Complex Between Vamp7 Longin Domain And Fragment Of Delta- Adaptin From Ap3" . . . . . 66.12 173 97.52 99.17 2.81e-83 . . . . 16867 1 5 no PDB 4B93 . "Complex Of Vamp7 Cytoplasmic Domain With 2nd Ankyrin Repeat Domain Of Varp" . . . . . 98.91 189 97.79 98.90 1.33e-128 . . . . 16867 1 6 no DBJ BAB22386 . "unnamed protein product [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 7 no DBJ BAB27667 . "unnamed protein product [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 8 no DBJ BAC40712 . "unnamed protein product [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 9 no DBJ BAD96514 . "synaptobrevin-like 1 variant [Homo sapiens]" . . . . . 98.36 220 99.44 99.44 2.28e-128 . . . . 16867 1 10 no DBJ BAE38126 . "unnamed protein product [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 11 no EMBL CAA63133 . "ORF [Homo sapiens]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 12 no EMBL CAA65509 . "synaptobrevin-like protein [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 13 no EMBL CAB94231 . "synaptobrevin-like protein [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 14 no EMBL CAB96816 . "synaptobrevin-like 1 protein [Homo sapiens]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 15 no EMBL CAC16891 . "synaptobrevin like protein 1B [Homo sapiens]" . . . . . 78.69 260 100.00 100.00 3.61e-101 . . . . 16867 1 16 no GB AAH03764 . "Vesicle-associated membrane protein 7 [Mus musculus]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 17 no GB AAH56141 . "Vesicle-associated membrane protein 7 [Homo sapiens]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 18 no GB AAI18342 . "Vesicle-associated membrane protein 7 [Bos taurus]" . . . . . 98.36 220 100.00 100.00 2.12e-129 . . . . 16867 1 19 no GB ABK42476 . "VAMP7 [synthetic construct]" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 20 no GB ACV04838 . "vesicle-associated membrane protein 7 [Ovis aries]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 21 no REF NP_001069770 . "vesicle-associated membrane protein 7 [Bos taurus]" . . . . . 98.36 220 100.00 100.00 2.12e-129 . . . . 16867 1 22 no REF NP_001124684 . "vesicle-associated membrane protein 7 [Pongo abelii]" . . . . . 98.36 220 99.44 99.44 1.12e-128 . . . . 16867 1 23 no REF NP_001159676 . "vesicle-associated membrane protein 7 [Ovis aries]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 24 no REF NP_001172112 . "vesicle-associated membrane protein 7 isoform 3 [Homo sapiens]" . . . . . 78.69 260 100.00 100.00 3.61e-101 . . . . 16867 1 25 no REF NP_001230522 . "vesicle-associated membrane protein 7 [Sus scrofa]" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 26 no SP P51809 . "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1; AltName: Full=Te" . . . . . 98.36 220 100.00 100.00 1.71e-129 . . . . 16867 1 27 no SP P70280 . "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" . . . . . 98.36 220 98.33 99.44 1.05e-127 . . . . 16867 1 28 no SP Q17QI5 . "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" . . . . . 98.36 220 100.00 100.00 2.12e-129 . . . . 16867 1 29 no SP Q5RF94 . "RecName: Full=Vesicle-associated membrane protein 7; Short=VAMP-7; AltName: Full=Synaptobrevin-like protein 1" . . . . . 98.36 220 99.44 99.44 1.12e-128 . . . . 16867 1 30 no TPG DAA13239 . "TPA: vesicle-associated membrane protein 7-like [Bos taurus]" . . . . . 62.30 163 100.00 100.00 2.23e-78 . . . . 16867 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 -2 GLY . 16867 1 2 -1 PRO . 16867 1 3 0 GLY . 16867 1 4 1 MET . 16867 1 5 2 ALA . 16867 1 6 3 ILE . 16867 1 7 4 LEU . 16867 1 8 5 PHE . 16867 1 9 6 ALA . 16867 1 10 7 VAL . 16867 1 11 8 VAL . 16867 1 12 9 ALA . 16867 1 13 10 ARG . 16867 1 14 11 GLY . 16867 1 15 12 THR . 16867 1 16 13 THR . 16867 1 17 14 ILE . 16867 1 18 15 LEU . 16867 1 19 16 ALA . 16867 1 20 17 LYS . 16867 1 21 18 HIS . 16867 1 22 19 ALA . 16867 1 23 20 TRP . 16867 1 24 21 CYS . 16867 1 25 22 GLY . 16867 1 26 23 GLY . 16867 1 27 24 ASN . 16867 1 28 25 PHE . 16867 1 29 26 LEU . 16867 1 30 27 GLU . 16867 1 31 28 VAL . 16867 1 32 29 THR . 16867 1 33 30 GLU . 16867 1 34 31 GLN . 16867 1 35 32 ILE . 16867 1 36 33 LEU . 16867 1 37 34 ALA . 16867 1 38 35 LYS . 16867 1 39 36 ILE . 16867 1 40 37 PRO . 16867 1 41 38 SER . 16867 1 42 39 GLU . 16867 1 43 40 ASN . 16867 1 44 41 ASN . 16867 1 45 42 LYS . 16867 1 46 43 LEU . 16867 1 47 44 THR . 16867 1 48 45 TYR . 16867 1 49 46 SER . 16867 1 50 47 HIS . 16867 1 51 48 GLY . 16867 1 52 49 ASN . 16867 1 53 50 TYR . 16867 1 54 51 LEU . 16867 1 55 52 PHE . 16867 1 56 53 HIS . 16867 1 57 54 TYR . 16867 1 58 55 ILE . 16867 1 59 56 CYS . 16867 1 60 57 GLN . 16867 1 61 58 ASP . 16867 1 62 59 ARG . 16867 1 63 60 ILE . 16867 1 64 61 VAL . 16867 1 65 62 TYR . 16867 1 66 63 LEU . 16867 1 67 64 CYS . 16867 1 68 65 ILE . 16867 1 69 66 THR . 16867 1 70 67 ASP . 16867 1 71 68 ASP . 16867 1 72 69 ASP . 16867 1 73 70 PHE . 16867 1 74 71 GLU . 16867 1 75 72 ARG . 16867 1 76 73 SER . 16867 1 77 74 ARG . 16867 1 78 75 ALA . 16867 1 79 76 PHE . 16867 1 80 77 ASN . 16867 1 81 78 PHE . 16867 1 82 79 LEU . 16867 1 83 80 ASN . 16867 1 84 81 GLU . 16867 1 85 82 ILE . 16867 1 86 83 LYS . 16867 1 87 84 LYS . 16867 1 88 85 ARG . 16867 1 89 86 PHE . 16867 1 90 87 GLN . 16867 1 91 88 THR . 16867 1 92 89 THR . 16867 1 93 90 TYR . 16867 1 94 91 GLY . 16867 1 95 92 SER . 16867 1 96 93 ARG . 16867 1 97 94 ALA . 16867 1 98 95 GLN . 16867 1 99 96 THR . 16867 1 100 97 ALA . 16867 1 101 98 LEU . 16867 1 102 99 PRO . 16867 1 103 100 TYR . 16867 1 104 101 ALA . 16867 1 105 102 MET . 16867 1 106 103 ASN . 16867 1 107 104 SER . 16867 1 108 105 GLU . 16867 1 109 106 PHE . 16867 1 110 107 SER . 16867 1 111 108 SER . 16867 1 112 109 VAL . 16867 1 113 110 LEU . 16867 1 114 111 ALA . 16867 1 115 112 ALA . 16867 1 116 113 GLN . 16867 1 117 114 LEU . 16867 1 118 115 LYS . 16867 1 119 116 HIS . 16867 1 120 117 HIS . 16867 1 121 118 SER . 16867 1 122 119 GLU . 16867 1 123 120 ASN . 16867 1 124 121 LYS . 16867 1 125 122 GLY . 16867 1 126 123 LEU . 16867 1 127 124 ASP . 16867 1 128 125 LYS . 16867 1 129 126 VAL . 16867 1 130 127 MET . 16867 1 131 128 GLU . 16867 1 132 129 THR . 16867 1 133 130 GLN . 16867 1 134 131 ALA . 16867 1 135 132 GLN . 16867 1 136 133 VAL . 16867 1 137 134 ASP . 16867 1 138 135 GLU . 16867 1 139 136 LEU . 16867 1 140 137 LYS . 16867 1 141 138 GLY . 16867 1 142 139 ILE . 16867 1 143 140 MET . 16867 1 144 141 VAL . 16867 1 145 142 ARG . 16867 1 146 143 ASN . 16867 1 147 144 ILE . 16867 1 148 145 ASP . 16867 1 149 146 LEU . 16867 1 150 147 VAL . 16867 1 151 148 ALA . 16867 1 152 149 GLN . 16867 1 153 150 ARG . 16867 1 154 151 GLY . 16867 1 155 152 GLU . 16867 1 156 153 ARG . 16867 1 157 154 LEU . 16867 1 158 155 GLU . 16867 1 159 156 LEU . 16867 1 160 157 LEU . 16867 1 161 158 ILE . 16867 1 162 159 ASP . 16867 1 163 160 LYS . 16867 1 164 161 THR . 16867 1 165 162 GLU . 16867 1 166 163 ASN . 16867 1 167 164 LEU . 16867 1 168 165 VAL . 16867 1 169 166 ASP . 16867 1 170 167 SER . 16867 1 171 168 SER . 16867 1 172 169 VAL . 16867 1 173 170 THR . 16867 1 174 171 PHE . 16867 1 175 172 LYS . 16867 1 176 173 THR . 16867 1 177 174 THR . 16867 1 178 175 SER . 16867 1 179 176 ARG . 16867 1 180 177 ASN . 16867 1 181 178 LEU . 16867 1 182 179 ALA . 16867 1 183 180 ARG . 16867 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 . GLY 1 1 16867 1 . PRO 2 2 16867 1 . GLY 3 3 16867 1 . MET 4 4 16867 1 . ALA 5 5 16867 1 . ILE 6 6 16867 1 . LEU 7 7 16867 1 . PHE 8 8 16867 1 . ALA 9 9 16867 1 . VAL 10 10 16867 1 . VAL 11 11 16867 1 . ALA 12 12 16867 1 . ARG 13 13 16867 1 . GLY 14 14 16867 1 . THR 15 15 16867 1 . THR 16 16 16867 1 . ILE 17 17 16867 1 . LEU 18 18 16867 1 . ALA 19 19 16867 1 . LYS 20 20 16867 1 . HIS 21 21 16867 1 . ALA 22 22 16867 1 . TRP 23 23 16867 1 . CYS 24 24 16867 1 . GLY 25 25 16867 1 . GLY 26 26 16867 1 . ASN 27 27 16867 1 . PHE 28 28 16867 1 . LEU 29 29 16867 1 . GLU 30 30 16867 1 . VAL 31 31 16867 1 . THR 32 32 16867 1 . GLU 33 33 16867 1 . GLN 34 34 16867 1 . ILE 35 35 16867 1 . LEU 36 36 16867 1 . ALA 37 37 16867 1 . LYS 38 38 16867 1 . ILE 39 39 16867 1 . PRO 40 40 16867 1 . SER 41 41 16867 1 . GLU 42 42 16867 1 . ASN 43 43 16867 1 . ASN 44 44 16867 1 . LYS 45 45 16867 1 . LEU 46 46 16867 1 . THR 47 47 16867 1 . TYR 48 48 16867 1 . SER 49 49 16867 1 . HIS 50 50 16867 1 . GLY 51 51 16867 1 . ASN 52 52 16867 1 . TYR 53 53 16867 1 . LEU 54 54 16867 1 . PHE 55 55 16867 1 . HIS 56 56 16867 1 . TYR 57 57 16867 1 . ILE 58 58 16867 1 . CYS 59 59 16867 1 . GLN 60 60 16867 1 . ASP 61 61 16867 1 . ARG 62 62 16867 1 . ILE 63 63 16867 1 . VAL 64 64 16867 1 . TYR 65 65 16867 1 . LEU 66 66 16867 1 . CYS 67 67 16867 1 . ILE 68 68 16867 1 . THR 69 69 16867 1 . ASP 70 70 16867 1 . ASP 71 71 16867 1 . ASP 72 72 16867 1 . PHE 73 73 16867 1 . GLU 74 74 16867 1 . ARG 75 75 16867 1 . SER 76 76 16867 1 . ARG 77 77 16867 1 . ALA 78 78 16867 1 . PHE 79 79 16867 1 . ASN 80 80 16867 1 . PHE 81 81 16867 1 . LEU 82 82 16867 1 . ASN 83 83 16867 1 . GLU 84 84 16867 1 . ILE 85 85 16867 1 . LYS 86 86 16867 1 . LYS 87 87 16867 1 . ARG 88 88 16867 1 . PHE 89 89 16867 1 . GLN 90 90 16867 1 . THR 91 91 16867 1 . THR 92 92 16867 1 . TYR 93 93 16867 1 . GLY 94 94 16867 1 . SER 95 95 16867 1 . ARG 96 96 16867 1 . ALA 97 97 16867 1 . GLN 98 98 16867 1 . THR 99 99 16867 1 . ALA 100 100 16867 1 . LEU 101 101 16867 1 . PRO 102 102 16867 1 . TYR 103 103 16867 1 . ALA 104 104 16867 1 . MET 105 105 16867 1 . ASN 106 106 16867 1 . SER 107 107 16867 1 . GLU 108 108 16867 1 . PHE 109 109 16867 1 . SER 110 110 16867 1 . SER 111 111 16867 1 . VAL 112 112 16867 1 . LEU 113 113 16867 1 . ALA 114 114 16867 1 . ALA 115 115 16867 1 . GLN 116 116 16867 1 . LEU 117 117 16867 1 . LYS 118 118 16867 1 . HIS 119 119 16867 1 . HIS 120 120 16867 1 . SER 121 121 16867 1 . GLU 122 122 16867 1 . ASN 123 123 16867 1 . LYS 124 124 16867 1 . GLY 125 125 16867 1 . LEU 126 126 16867 1 . ASP 127 127 16867 1 . LYS 128 128 16867 1 . VAL 129 129 16867 1 . MET 130 130 16867 1 . GLU 131 131 16867 1 . THR 132 132 16867 1 . GLN 133 133 16867 1 . ALA 134 134 16867 1 . GLN 135 135 16867 1 . VAL 136 136 16867 1 . ASP 137 137 16867 1 . GLU 138 138 16867 1 . LEU 139 139 16867 1 . LYS 140 140 16867 1 . GLY 141 141 16867 1 . ILE 142 142 16867 1 . MET 143 143 16867 1 . VAL 144 144 16867 1 . ARG 145 145 16867 1 . ASN 146 146 16867 1 . ILE 147 147 16867 1 . ASP 148 148 16867 1 . LEU 149 149 16867 1 . VAL 150 150 16867 1 . ALA 151 151 16867 1 . GLN 152 152 16867 1 . ARG 153 153 16867 1 . GLY 154 154 16867 1 . GLU 155 155 16867 1 . ARG 156 156 16867 1 . LEU 157 157 16867 1 . GLU 158 158 16867 1 . LEU 159 159 16867 1 . LEU 160 160 16867 1 . ILE 161 161 16867 1 . ASP 162 162 16867 1 . LYS 163 163 16867 1 . THR 164 164 16867 1 . GLU 165 165 16867 1 . ASN 166 166 16867 1 . LEU 167 167 16867 1 . VAL 168 168 16867 1 . ASP 169 169 16867 1 . SER 170 170 16867 1 . SER 171 171 16867 1 . VAL 172 172 16867 1 . THR 173 173 16867 1 . PHE 174 174 16867 1 . LYS 175 175 16867 1 . THR 176 176 16867 1 . THR 177 177 16867 1 . SER 178 178 16867 1 . ARG 179 179 16867 1 . ASN 180 180 16867 1 . LEU 181 181 16867 1 . ALA 182 182 16867 1 . ARG 183 183 16867 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 16867 _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 $VAMP7(1-180) . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . 16867 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 16867 _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 $VAMP7(1-180) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET47b . . . . . . 16867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16867 _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 VAMP7(1-180) '[U-100% 15N]' . . 1 $VAMP7(1-180) . . 300 . . uM . . . . 16867 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16867 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16867 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16867 1 5 Dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 16867 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16867 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16867 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM potassium phoshpate pH 6.5, 100 mM sodium chloride, 1 mM Dithiothreitol. 300 uM protein concentration. Acquisition temperature 25 C' 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 16867 1 pH 6.5 . pH 16867 1 pressure 1 . atm 16867 1 temperature 298 . K 16867 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16867 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16867 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16867 1 'data analysis' 16867 1 'peak picking' 16867 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 16867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16867 _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 Varian INOVA . 800 . . . 16867 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 16867 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16867 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16867 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16867 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16867 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 16867 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 16867 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16867 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 16867 _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' . . . 16867 1 2 '3D C(CO)NH' . . . 16867 1 3 '3D HNCACB' . . . 16867 1 4 '3D HN(CO)CA' . . . 16867 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16867 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 4 4 MET H H 1 8.080 . . 1 . . . . 1 M HN . 16867 1 2 . 1 1 4 4 MET N N 15 119.351 . . 1 . . . . 1 M N . 16867 1 3 . 1 1 5 5 ALA H H 1 8.234 . . 1 . . . . 2 A HN . 16867 1 4 . 1 1 5 5 ALA N N 15 122.443 . . 1 . . . . 2 A N . 16867 1 5 . 1 1 6 6 ILE H H 1 6.972 . . 1 . . . . 3 I HN . 16867 1 6 . 1 1 6 6 ILE N N 15 116.487 . . 1 . . . . 3 I N . 16867 1 7 . 1 1 7 7 LEU H H 1 8.362 . . 1 . . . . 4 L HN . 16867 1 8 . 1 1 7 7 LEU N N 15 122.828 . . 1 . . . . 4 L N . 16867 1 9 . 1 1 8 8 PHE H H 1 7.086 . . 1 . . . . 5 F HN . 16867 1 10 . 1 1 8 8 PHE N N 15 113.878 . . 1 . . . . 5 F N . 16867 1 11 . 1 1 9 9 ALA H H 1 7.919 . . 1 . . . . 6 A HN . 16867 1 12 . 1 1 9 9 ALA N N 15 126.016 . . 1 . . . . 6 A N . 16867 1 13 . 1 1 10 10 VAL H H 1 8.879 . . 1 . . . . 7 V HN . 16867 1 14 . 1 1 10 10 VAL N N 15 115.427 . . 1 . . . . 7 V N . 16867 1 15 . 1 1 11 11 VAL H H 1 8.282 . . 1 . . . . 8 V HN . 16867 1 16 . 1 1 11 11 VAL N N 15 122.534 . . 1 . . . . 8 V N . 16867 1 17 . 1 1 12 12 ALA H H 1 9.457 . . 1 . . . . 9 A HN . 16867 1 18 . 1 1 12 12 ALA N N 15 130.066 . . 1 . . . . 9 A N . 16867 1 19 . 1 1 13 13 ARG H H 1 8.801 . . 1 . . . . 10 R HN . 16867 1 20 . 1 1 13 13 ARG N N 15 121.007 . . 1 . . . . 10 R N . 16867 1 21 . 1 1 14 14 GLY H H 1 8.376 . . 1 . . . . 11 G HN . 16867 1 22 . 1 1 14 14 GLY N N 15 118.045 . . 1 . . . . 11 G N . 16867 1 23 . 1 1 15 15 THR H H 1 8.223 . . 1 . . . . 12 T HN . 16867 1 24 . 1 1 15 15 THR N N 15 113.656 . . 1 . . . . 12 T N . 16867 1 25 . 1 1 16 16 THR H H 1 8.484 . . 1 . . . . 13 T HN . 16867 1 26 . 1 1 16 16 THR N N 15 120.165 . . 1 . . . . 13 T N . 16867 1 27 . 1 1 17 17 ILE H H 1 8.610 . . 1 . . . . 14 I HN . 16867 1 28 . 1 1 17 17 ILE N N 15 129.094 . . 1 . . . . 14 I N . 16867 1 29 . 1 1 18 18 LEU H H 1 9.172 . . 1 . . . . 15 L HN . 16867 1 30 . 1 1 18 18 LEU N N 15 125.182 . . 1 . . . . 15 L N . 16867 1 31 . 1 1 19 19 ALA H H 1 7.637 . . 1 . . . . 16 A HN . 16867 1 32 . 1 1 19 19 ALA N N 15 115.944 . . 1 . . . . 16 A N . 16867 1 33 . 1 1 20 20 LYS H H 1 8.963 . . 1 . . . . 17 K HN . 16867 1 34 . 1 1 20 20 LYS N N 15 115.623 . . 1 . . . . 17 K N . 16867 1 35 . 1 1 21 21 HIS H H 1 8.269 . . 1 . . . . 18 H HN . 16867 1 36 . 1 1 21 21 HIS N N 15 115.445 . . 1 . . . . 18 H N . 16867 1 37 . 1 1 22 22 ALA H H 1 7.557 . . 1 . . . . 19 A HN . 16867 1 38 . 1 1 22 22 ALA N N 15 126.511 . . 1 . . . . 19 A N . 16867 1 39 . 1 1 23 23 TRP HE1 H 1 10.238 . . 1 . . . . 20 W HE1 . 16867 1 40 . 1 1 23 23 TRP NE1 N 15 128.883 . . 1 . . . . 20 W NE1 . 16867 1 41 . 1 1 25 25 GLY H H 1 7.850 . . 1 . . . . 22 G HN . 16867 1 42 . 1 1 25 25 GLY N N 15 105.110 . . 1 . . . . 22 G N . 16867 1 43 . 1 1 26 26 GLY H H 1 8.083 . . 1 . . . . 23 G HN . 16867 1 44 . 1 1 26 26 GLY N N 15 107.663 . . 1 . . . . 23 G N . 16867 1 45 . 1 1 27 27 ASN H H 1 8.078 . . 1 . . . . 24 N HN . 16867 1 46 . 1 1 27 27 ASN N N 15 120.196 . . 1 . . . . 24 N N . 16867 1 47 . 1 1 28 28 PHE H H 1 8.048 . . 1 . . . . 25 F HN . 16867 1 48 . 1 1 28 28 PHE N N 15 116.951 . . 1 . . . . 25 F N . 16867 1 49 . 1 1 29 29 LEU H H 1 8.716 . . 1 . . . . 26 L HN . 16867 1 50 . 1 1 29 29 LEU N N 15 120.234 . . 1 . . . . 26 L N . 16867 1 51 . 1 1 30 30 GLU H H 1 8.284 . . 1 . . . . 27 E HN . 16867 1 52 . 1 1 30 30 GLU N N 15 119.408 . . 1 . . . . 27 E N . 16867 1 53 . 1 1 31 31 VAL H H 1 7.203 . . 1 . . . . 28 V HN . 16867 1 54 . 1 1 31 31 VAL N N 15 115.072 . . 1 . . . . 28 V N . 16867 1 55 . 1 1 32 32 THR H H 1 8.278 . . 1 . . . . 29 T HN . 16867 1 56 . 1 1 32 32 THR N N 15 115.991 . . 1 . . . . 29 T N . 16867 1 57 . 1 1 33 33 GLU H H 1 8.601 . . 1 . . . . 30 E HN . 16867 1 58 . 1 1 33 33 GLU N N 15 119.502 . . 1 . . . . 30 E N . 16867 1 59 . 1 1 34 34 GLN H H 1 6.914 . . 1 . . . . 31 Q HN . 16867 1 60 . 1 1 34 34 GLN N N 15 114.106 . . 1 . . . . 31 Q N . 16867 1 61 . 1 1 35 35 ILE H H 1 7.481 . . 1 . . . . 32 I HN . 16867 1 62 . 1 1 35 35 ILE N N 15 118.677 . . 1 . . . . 32 I N . 16867 1 63 . 1 1 36 36 LEU H H 1 8.681 . . 1 . . . . 33 L HN . 16867 1 64 . 1 1 36 36 LEU N N 15 116.194 . . 1 . . . . 33 L N . 16867 1 65 . 1 1 37 37 ALA H H 1 6.959 . . 1 . . . . 34 A HN . 16867 1 66 . 1 1 37 37 ALA N N 15 116.085 . . 1 . . . . 34 A N . 16867 1 67 . 1 1 38 38 LYS H H 1 7.557 . . 1 . . . . 35 K HN . 16867 1 68 . 1 1 38 38 LYS N N 15 114.946 . . 1 . . . . 35 K N . 16867 1 69 . 1 1 39 39 ILE H H 1 6.918 . . 1 . . . . 36 I HN . 16867 1 70 . 1 1 39 39 ILE N N 15 121.431 . . 1 . . . . 36 I N . 16867 1 71 . 1 1 41 41 SER H H 1 8.493 . . 1 . . . . 38 S HN . 16867 1 72 . 1 1 41 41 SER N N 15 113.589 . . 1 . . . . 38 S N . 16867 1 73 . 1 1 42 42 GLU H H 1 7.550 . . 1 . . . . 39 E HN . 16867 1 74 . 1 1 42 42 GLU N N 15 119.037 . . 1 . . . . 39 E N . 16867 1 75 . 1 1 43 43 ASN H H 1 8.930 . . 1 . . . . 40 N HN . 16867 1 76 . 1 1 43 43 ASN N N 15 120.567 . . 1 . . . . 40 N N . 16867 1 77 . 1 1 44 44 ASN H H 1 8.740 . . 1 . . . . 41 N HN . 16867 1 78 . 1 1 44 44 ASN N N 15 118.399 . . 1 . . . . 41 N N . 16867 1 79 . 1 1 45 45 LYS H H 1 7.994 . . 1 . . . . 42 K HN . 16867 1 80 . 1 1 45 45 LYS N N 15 117.567 . . 1 . . . . 42 K N . 16867 1 81 . 1 1 46 46 LEU H H 1 7.922 . . 1 . . . . 43 L HN . 16867 1 82 . 1 1 46 46 LEU N N 15 122.414 . . 1 . . . . 43 L N . 16867 1 83 . 1 1 47 47 THR H H 1 7.696 . . 1 . . . . 44 T HN . 16867 1 84 . 1 1 47 47 THR N N 15 116.012 . . 1 . . . . 44 T N . 16867 1 85 . 1 1 48 48 TYR H H 1 9.816 . . 1 . . . . 45 Y HN . 16867 1 86 . 1 1 48 48 TYR N N 15 123.306 . . 1 . . . . 45 Y N . 16867 1 87 . 1 1 49 49 SER H H 1 8.317 . . 1 . . . . 46 S HN . 16867 1 88 . 1 1 49 49 SER N N 15 117.251 . . 1 . . . . 46 S N . 16867 1 89 . 1 1 50 50 HIS H H 1 8.578 . . 1 . . . . 47 H HN . 16867 1 90 . 1 1 50 50 HIS N N 15 121.585 . . 1 . . . . 47 H N . 16867 1 91 . 1 1 51 51 GLY H H 1 8.823 . . 1 . . . . 48 G HN . 16867 1 92 . 1 1 51 51 GLY N N 15 116.464 . . 1 . . . . 48 G N . 16867 1 93 . 1 1 52 52 ASN H H 1 8.688 . . 1 . . . . 49 N HN . 16867 1 94 . 1 1 52 52 ASN N N 15 123.635 . . 1 . . . . 49 N N . 16867 1 95 . 1 1 53 53 TYR H H 1 8.099 . . 1 . . . . 50 Y HN . 16867 1 96 . 1 1 53 53 TYR N N 15 115.517 . . 1 . . . . 50 Y N . 16867 1 97 . 1 1 54 54 LEU H H 1 8.724 . . 1 . . . . 51 L HN . 16867 1 98 . 1 1 54 54 LEU N N 15 118.936 . . 1 . . . . 51 L N . 16867 1 99 . 1 1 55 55 PHE H H 1 9.334 . . 1 . . . . 52 F HN . 16867 1 100 . 1 1 55 55 PHE N N 15 119.674 . . 1 . . . . 52 F N . 16867 1 101 . 1 1 56 56 HIS H H 1 9.043 . . 1 . . . . 53 H HN . 16867 1 102 . 1 1 56 56 HIS N N 15 122.353 . . 1 . . . . 53 H N . 16867 1 103 . 1 1 57 57 TYR H H 1 9.353 . . 1 . . . . 54 Y HN . 16867 1 104 . 1 1 57 57 TYR N N 15 116.890 . . 1 . . . . 54 Y N . 16867 1 105 . 1 1 58 58 ILE H H 1 9.040 . . 1 . . . . 55 I HN . 16867 1 106 . 1 1 58 58 ILE N N 15 115.956 . . 1 . . . . 55 I N . 16867 1 107 . 1 1 59 59 CYS H H 1 9.504 . . 1 . . . . 56 C HN . 16867 1 108 . 1 1 59 59 CYS N N 15 126.941 . . 1 . . . . 56 C N . 16867 1 109 . 1 1 60 60 GLN H H 1 9.737 . . 1 . . . . 57 Q HN . 16867 1 110 . 1 1 60 60 GLN N N 15 129.383 . . 1 . . . . 57 Q N . 16867 1 111 . 1 1 61 61 ASP H H 1 9.384 . . 1 . . . . 58 D HN . 16867 1 112 . 1 1 61 61 ASP N N 15 130.430 . . 1 . . . . 58 D N . 16867 1 113 . 1 1 62 62 ARG H H 1 8.952 . . 1 . . . . 59 R HN . 16867 1 114 . 1 1 62 62 ARG N N 15 105.555 . . 1 . . . . 59 R N . 16867 1 115 . 1 1 63 63 ILE H H 1 7.775 . . 1 . . . . 60 I HN . 16867 1 116 . 1 1 63 63 ILE N N 15 121.112 . . 1 . . . . 60 I N . 16867 1 117 . 1 1 64 64 VAL H H 1 9.255 . . 1 . . . . 61 V HN . 16867 1 118 . 1 1 64 64 VAL N N 15 125.560 . . 1 . . . . 61 V N . 16867 1 119 . 1 1 65 65 TYR H H 1 9.189 . . 1 . . . . 62 Y HN . 16867 1 120 . 1 1 65 65 TYR N N 15 125.882 . . 1 . . . . 62 Y N . 16867 1 121 . 1 1 66 66 LEU H H 1 8.861 . . 1 . . . . 63 L HN . 16867 1 122 . 1 1 66 66 LEU N N 15 124.869 . . 1 . . . . 63 L N . 16867 1 123 . 1 1 67 67 CYS H H 1 9.772 . . 1 . . . . 64 C HN . 16867 1 124 . 1 1 67 67 CYS N N 15 117.172 . . 1 . . . . 64 C N . 16867 1 125 . 1 1 68 68 ILE H H 1 8.089 . . 1 . . . . 65 I HN . 16867 1 126 . 1 1 68 68 ILE N N 15 118.678 . . 1 . . . . 65 I N . 16867 1 127 . 1 1 69 69 THR H H 1 9.472 . . 1 . . . . 66 T HN . 16867 1 128 . 1 1 69 69 THR N N 15 115.723 . . 1 . . . . 66 T N . 16867 1 129 . 1 1 70 70 ASP H H 1 8.921 . . 1 . . . . 67 D HN . 16867 1 130 . 1 1 70 70 ASP N N 15 118.506 . . 1 . . . . 67 D N . 16867 1 131 . 1 1 71 71 ASP H H 1 8.352 . . 1 . . . . 68 D HN . 16867 1 132 . 1 1 71 71 ASP N N 15 121.181 . . 1 . . . . 68 D N . 16867 1 133 . 1 1 72 72 ASP H H 1 8.040 . . 1 . . . . 69 D HN . 16867 1 134 . 1 1 72 72 ASP N N 15 118.247 . . 1 . . . . 69 D N . 16867 1 135 . 1 1 73 73 PHE H H 1 7.315 . . 1 . . . . 70 F HN . 16867 1 136 . 1 1 73 73 PHE N N 15 122.078 . . 1 . . . . 70 F N . 16867 1 137 . 1 1 74 74 GLU H H 1 8.495 . . 1 . . . . 71 E HN . 16867 1 138 . 1 1 74 74 GLU N N 15 129.886 . . 1 . . . . 71 E N . 16867 1 139 . 1 1 75 75 ARG H H 1 8.845 . . 1 . . . . 72 R HN . 16867 1 140 . 1 1 75 75 ARG N N 15 125.238 . . 1 . . . . 72 R N . 16867 1 141 . 1 1 76 76 SER H H 1 9.116 . . 1 . . . . 73 S HN . 16867 1 142 . 1 1 76 76 SER N N 15 113.333 . . 1 . . . . 73 S N . 16867 1 143 . 1 1 77 77 ARG H H 1 6.905 . . 1 . . . . 74 R HN . 16867 1 144 . 1 1 77 77 ARG N N 15 120.111 . . 1 . . . . 74 R N . 16867 1 145 . 1 1 78 78 ALA H H 1 7.607 . . 1 . . . . 75 A HN . 16867 1 146 . 1 1 78 78 ALA N N 15 121.961 . . 1 . . . . 75 A N . 16867 1 147 . 1 1 79 79 PHE H H 1 8.223 . . 1 . . . . 76 F HN . 16867 1 148 . 1 1 79 79 PHE N N 15 113.656 . . 1 . . . . 76 F N . 16867 1 149 . 1 1 80 80 ASN H H 1 8.233 . . 1 . . . . 77 N HN . 16867 1 150 . 1 1 80 80 ASN N N 15 119.813 . . 1 . . . . 77 N N . 16867 1 151 . 1 1 81 81 PHE H H 1 7.568 . . 1 . . . . 78 F HN . 16867 1 152 . 1 1 81 81 PHE N N 15 120.045 . . 1 . . . . 78 F N . 16867 1 153 . 1 1 82 82 LEU H H 1 8.062 . . 1 . . . . 79 L HN . 16867 1 154 . 1 1 82 82 LEU N N 15 117.675 . . 1 . . . . 79 L N . 16867 1 155 . 1 1 83 83 ASN H H 1 8.524 . . 1 . . . . 80 N HN . 16867 1 156 . 1 1 83 83 ASN N N 15 116.153 . . 1 . . . . 80 N N . 16867 1 157 . 1 1 84 84 GLU H H 1 7.727 . . 1 . . . . 81 E HN . 16867 1 158 . 1 1 84 84 GLU N N 15 120.274 . . 1 . . . . 81 E N . 16867 1 159 . 1 1 85 85 ILE H H 1 7.955 . . 1 . . . . 82 I HN . 16867 1 160 . 1 1 85 85 ILE N N 15 115.478 . . 1 . . . . 82 I N . 16867 1 161 . 1 1 86 86 LYS H H 1 8.171 . . 1 . . . . 83 K HN . 16867 1 162 . 1 1 86 86 LYS N N 15 122.284 . . 1 . . . . 83 K N . 16867 1 163 . 1 1 87 87 LYS H H 1 7.715 . . 1 . . . . 84 K HN . 16867 1 164 . 1 1 87 87 LYS N N 15 117.788 . . 1 . . . . 84 K N . 16867 1 165 . 1 1 88 88 ARG H H 1 7.878 . . 1 . . . . 85 R HN . 16867 1 166 . 1 1 88 88 ARG N N 15 117.501 . . 1 . . . . 85 R N . 16867 1 167 . 1 1 89 89 PHE H H 1 9.406 . . 1 . . . . 86 F HN . 16867 1 168 . 1 1 89 89 PHE N N 15 122.819 . . 1 . . . . 86 F N . 16867 1 169 . 1 1 90 90 GLN H H 1 9.133 . . 1 . . . . 87 Q HN . 16867 1 170 . 1 1 90 90 GLN N N 15 117.107 . . 1 . . . . 87 Q N . 16867 1 171 . 1 1 91 91 THR H H 1 8.057 . . 1 . . . . 88 T HN . 16867 1 172 . 1 1 91 91 THR N N 15 113.043 . . 1 . . . . 88 T N . 16867 1 173 . 1 1 92 92 THR H H 1 7.715 . . 1 . . . . 89 T HN . 16867 1 174 . 1 1 92 92 THR N N 15 115.301 . . 1 . . . . 89 T N . 16867 1 175 . 1 1 93 93 TYR H H 1 7.737 . . 1 . . . . 90 Y HN . 16867 1 176 . 1 1 93 93 TYR N N 15 114.444 . . 1 . . . . 90 Y N . 16867 1 177 . 1 1 94 94 GLY H H 1 7.846 . . 1 . . . . 91 G HN . 16867 1 178 . 1 1 94 94 GLY N N 15 107.695 . . 1 . . . . 91 G N . 16867 1 179 . 1 1 96 96 ARG H H 1 8.294 . . 1 . . . . 93 R HN . 16867 1 180 . 1 1 96 96 ARG N N 15 121.846 . . 1 . . . . 93 R N . 16867 1 181 . 1 1 97 97 ALA H H 1 7.524 . . 1 . . . . 94 A HN . 16867 1 182 . 1 1 97 97 ALA N N 15 117.084 . . 1 . . . . 94 A N . 16867 1 183 . 1 1 98 98 GLN H H 1 7.766 . . 1 . . . . 95 Q HN . 16867 1 184 . 1 1 98 98 GLN N N 15 110.776 . . 1 . . . . 95 Q N . 16867 1 185 . 1 1 100 100 ALA H H 1 7.063 . . 1 . . . . 97 A HN . 16867 1 186 . 1 1 100 100 ALA N N 15 124.491 . . 1 . . . . 97 A N . 16867 1 187 . 1 1 101 101 LEU H H 1 8.248 . . 1 . . . . 98 L HN . 16867 1 188 . 1 1 101 101 LEU N N 15 121.498 . . 1 . . . . 98 L N . 16867 1 189 . 1 1 108 108 GLU H H 1 8.160 . . 1 . . . . 105 E HN . 16867 1 190 . 1 1 108 108 GLU N N 15 117.660 . . 1 . . . . 105 E N . 16867 1 191 . 1 1 109 109 PHE H H 1 8.977 . . 1 . . . . 106 F HN . 16867 1 192 . 1 1 109 109 PHE N N 15 117.073 . . 1 . . . . 106 F N . 16867 1 193 . 1 1 110 110 SER H H 1 8.696 . . 1 . . . . 107 S HN . 16867 1 194 . 1 1 110 110 SER N N 15 114.892 . . 1 . . . . 107 S N . 16867 1 195 . 1 1 111 111 SER H H 1 7.564 . . 1 . . . . 108 S HN . 16867 1 196 . 1 1 111 111 SER N N 15 113.723 . . 1 . . . . 108 S N . 16867 1 197 . 1 1 112 112 VAL H H 1 6.878 . . 1 . . . . 109 V HN . 16867 1 198 . 1 1 112 112 VAL N N 15 124.876 . . 1 . . . . 109 V N . 16867 1 199 . 1 1 113 113 LEU H H 1 7.586 . . 1 . . . . 110 L HN . 16867 1 200 . 1 1 113 113 LEU N N 15 116.645 . . 1 . . . . 110 L N . 16867 1 201 . 1 1 114 114 ALA H H 1 8.032 . . 1 . . . . 111 A HN . 16867 1 202 . 1 1 114 114 ALA N N 15 117.870 . . 1 . . . . 111 A N . 16867 1 203 . 1 1 115 115 ALA H H 1 7.702 . . 1 . . . . 112 A HN . 16867 1 204 . 1 1 115 115 ALA N N 15 119.195 . . 1 . . . . 112 A N . 16867 1 205 . 1 1 116 116 GLN H H 1 8.596 . . 1 . . . . 113 Q HN . 16867 1 206 . 1 1 116 116 GLN N N 15 115.584 . . 1 . . . . 113 Q N . 16867 1 207 . 1 1 118 118 LYS H H 1 7.610 . . 1 . . . . 115 K HN . 16867 1 208 . 1 1 118 118 LYS N N 15 117.795 . . 1 . . . . 115 K N . 16867 1 209 . 1 1 119 119 HIS H H 1 8.069 . . 1 . . . . 116 H HN . 16867 1 210 . 1 1 119 119 HIS N N 15 116.544 . . 1 . . . . 116 H N . 16867 1 211 . 1 1 122 122 GLU H H 1 7.638 . . 1 . . . . 119 E HN . 16867 1 212 . 1 1 122 122 GLU N N 15 118.587 . . 1 . . . . 119 E N . 16867 1 213 . 1 1 125 125 GLY H H 1 8.417 . . 1 . . . . 122 G HN . 16867 1 214 . 1 1 125 125 GLY N N 15 108.180 . . 1 . . . . 122 G N . 16867 1 215 . 1 1 141 141 GLY H H 1 8.355 . . 1 . . . . 138 G HN . 16867 1 216 . 1 1 141 141 GLY N N 15 105.625 . . 1 . . . . 138 G N . 16867 1 217 . 1 1 151 151 ALA H H 1 8.608 . . 1 . . . . 148 A HN . 16867 1 218 . 1 1 151 151 ALA N N 15 126.353 . . 1 . . . . 148 A N . 16867 1 219 . 1 1 152 152 GLN H H 1 8.522 . . 1 . . . . 149 Q HN . 16867 1 220 . 1 1 152 152 GLN N N 15 118.969 . . 1 . . . . 149 Q N . 16867 1 221 . 1 1 154 154 GLY H H 1 8.117 . . 1 . . . . 151 G HN . 16867 1 222 . 1 1 154 154 GLY N N 15 106.754 . . 1 . . . . 151 G N . 16867 1 223 . 1 1 164 164 THR H H 1 8.343 . . 1 . . . . 161 T HN . 16867 1 224 . 1 1 164 164 THR N N 15 112.349 . . 1 . . . . 161 T N . 16867 1 225 . 1 1 170 170 SER H H 1 8.366 . . 1 . . . . 167 S HN . 16867 1 226 . 1 1 170 170 SER N N 15 116.499 . . 1 . . . . 167 S N . 16867 1 227 . 1 1 171 171 SER H H 1 8.476 . . 1 . . . . 168 S HN . 16867 1 228 . 1 1 171 171 SER N N 15 117.075 . . 1 . . . . 168 S N . 16867 1 229 . 1 1 176 176 THR H H 1 8.191 . . 1 . . . . 173 T HN . 16867 1 230 . 1 1 176 176 THR N N 15 114.360 . . 1 . . . . 173 T N . 16867 1 231 . 1 1 177 177 THR H H 1 8.174 . . 1 . . . . 174 T HN . 16867 1 232 . 1 1 177 177 THR N N 15 115.019 . . 1 . . . . 174 T N . 16867 1 233 . 1 1 183 183 ARG H H 1 7.849 . . 1 . . . . 180 R HN . 16867 1 234 . 1 1 183 183 ARG N N 15 124.600 . . 1 . . . . 180 R N . 16867 1 stop_ save_