data_1652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Determination of the Vasoactive Intestinal Peptide by Two-Dimensional 1H-NMR Spectroscopy ; _BMRB_accession_number 1652 _BMRB_flat_file_name bmr1652.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theriault Y. . . 2 Boulanger Y. . . 3 'St Pierre' Serge A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Theriault, Y., Boulanger, Y., St. Pierre, Serge A., "Structural Determination of the Vasoactive Intestinal Peptide by Two-Dimensional 1H-NMR Spectroscopy," Biopolymers 31, 459-464 (1991). ; _Citation_title ; Structural Determination of the Vasoactive Intestinal Peptide by Two-Dimensional 1H-NMR Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theriault Y. . . 2 Boulanger Y. . . 3 'St Pierre' Serge A. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 31 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 459 _Page_last 464 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_vasoactive_intestinal_peptide _Saveframe_category molecular_system _Mol_system_name 'vasoactive intestinal peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'vasoactive intestinal peptide' $vasoactive_intestinal_peptide stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_vasoactive_intestinal_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'vasoactive intestinal peptide' _Name_variant 'residues 1-28' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; HSDAVFTDNYTRLRKQMAVK KYLNSILN ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 SER 3 ASP 4 ALA 5 VAL 6 PHE 7 THR 8 ASP 9 ASN 10 TYR 11 THR 12 ARG 13 LEU 14 ARG 15 LYS 16 GLN 17 MET 18 ALA 19 VAL 20 LYS 21 LYS 22 TYR 23 LEU 24 ASN 25 SER 26 ILE 27 LEU 28 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11419 VIP 100.00 29 100.00 100.00 2.56e-10 BMRB 11420 "Vasoactive intestinal peptide" 100.00 29 100.00 100.00 2.56e-10 PDB 2RRH "Nmr Structure Of Vasoactive Intestinal Peptide In Methanol" 100.00 29 100.00 100.00 2.56e-10 PDB 2RRI "Nmr Structure Of Vasoactive Intestinal Peptide In Dpc Micelle" 100.00 29 100.00 100.00 2.56e-10 DBJ BAB31301 "unnamed protein product [Mus musculus]" 100.00 171 100.00 100.00 1.68e-09 DBJ BAF84648 "unnamed protein product [Homo sapiens]" 100.00 168 100.00 100.00 4.47e-10 GB AAA61284 "preprovasoactive intestinal polypeptide [Homo sapiens]" 100.00 170 100.00 100.00 4.47e-10 GB AAA61285 "vasoactive intestinal peptide precursor, partial [Homo sapiens]" 100.00 78 100.00 100.00 2.67e-10 GB AAA61286 "vasoactive intestinal peptide, partial [Homo sapiens]" 100.00 163 100.00 100.00 3.02e-09 GB AAA61287 "vasoactive intestinal peptide (VIP) precursor [Homo sapiens]" 100.00 170 100.00 100.00 4.47e-10 GB AAA61289 "preprovasoactive intestinal peptide [Homo sapiens]" 100.00 170 100.00 100.00 4.47e-10 PIR VRBO "vasoactive intestinal peptide precursor - bovine (fragments)" 100.00 55 100.00 100.00 2.51e-10 PRF 0601216A "vasoactive intestinal peptide" 100.00 28 100.00 100.00 2.68e-10 PRF 0909264A "vasoactive intestinal peptide,prepro" 100.00 170 100.00 100.00 4.47e-10 PRF 1007235A "vasoactive intestinal peptide" 100.00 28 100.00 100.00 2.68e-10 PRF 1012267A "vasoactive intestinal peptide" 96.43 28 100.00 100.00 3.73e-09 PRF 1109226A "vasoactive intestinal peptide" 100.00 28 100.00 100.00 2.68e-10 REF NP_001182162 "VIP peptides precursor [Sus scrofa]" 100.00 167 100.00 100.00 2.45e-09 REF NP_001247681 "VIP peptides precursor [Macaca mulatta]" 100.00 170 100.00 100.00 4.51e-10 REF NP_001300898 "VIP peptides isoform 2 preproprotein [Mus musculus]" 100.00 170 100.00 100.00 1.62e-09 REF NP_003372 "VIP peptides isoform 1 preproprotein [Homo sapiens]" 100.00 170 100.00 100.00 4.47e-10 REF NP_035832 "VIP peptides isoform 1 preproprotein [Mus musculus]" 100.00 171 100.00 100.00 1.68e-09 SP P01282 "RecName: Full=VIP peptides; Contains: RecName: Full=Intestinal peptide PHV-42; AltName: Full=Peptide histidine valine 42; Conta" 100.00 170 100.00 100.00 4.47e-10 SP P01284 "RecName: Full=VIP peptides; Contains: RecName: Full=Intestinal peptide PHI-27; AltName: Full=Peptide histidine isoleucinamide 2" 100.00 75 100.00 100.00 3.26e-10 SP P32648 "RecName: Full=VIP peptides; Contains: RecName: Full=Intestinal peptide PHI-42; Contains: RecName: Full=Intestinal peptide PHI-2" 100.00 170 100.00 100.00 1.62e-09 SP P32649 "RecName: Full=VIP peptides; Contains: RecName: Full=Intestinal peptide PHI-27; AltName: Full=Peptide histidine isoleucinamide 2" 100.00 72 100.00 100.00 3.39e-10 SP P63289 "RecName: Full=Vasoactive intestinal peptide; Short=VIP; AltName: Full=Vasoactive intestinal polypeptide" 100.00 28 100.00 100.00 2.68e-10 TPG DAA26008 "TPA: VIP peptides [Bos taurus]" 100.00 170 100.00 100.00 4.42e-10 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $vasoactive_intestinal_peptide human 9606 Eukaryota Metazoa Homo sapiens generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $vasoactive_intestinal_peptide 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . na temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'vasoactive intestinal peptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 HIS HA H 4.45 . 1 2 . 1 HIS HB2 H 3.48 . 1 3 . 1 HIS HB3 H 3.48 . 1 4 . 1 HIS HD2 H 7.48 . 1 5 . 1 HIS HE1 H 8.69 . 1 6 . 2 SER H H 8.83 . 1 7 . 2 SER HA H 4.61 . 1 8 . 2 SER HB2 H 3.92 . 2 9 . 2 SER HB3 H 4.02 . 2 10 . 3 ASP H H 8.78 . 1 11 . 3 ASP HA H 4.93 . 1 12 . 3 ASP HB2 H 3 . 2 13 . 3 ASP HB3 H 3.08 . 2 14 . 4 ALA H H 8.32 . 1 15 . 4 ALA HA H 4.29 . 1 16 . 4 ALA HB H 1.44 . 1 17 . 5 VAL H H 7.76 . 1 18 . 5 VAL HA H 3.88 . 1 19 . 5 VAL HB H 2.04 . 1 20 . 5 VAL HG1 H .94 . 2 21 . 5 VAL HG2 H .86 . 2 22 . 6 PHE H H 7.8 . 1 23 . 6 PHE HA H 4.52 . 1 24 . 6 PHE HB2 H 3.16 . 2 25 . 6 PHE HB3 H 3.23 . 2 26 . 7 THR H H 8.04 . 1 27 . 7 THR HA H 4.11 . 1 28 . 7 THR HB H 4.31 . 1 29 . 7 THR HG2 H 1.3 . 1 30 . 8 ASP H H 8.55 . 1 31 . 8 ASP HA H 4.58 . 1 32 . 8 ASP HB2 H 2.95 . 2 33 . 8 ASP HB3 H 3.06 . 2 34 . 9 ASN H H 8.16 . 1 35 . 9 ASN HA H 4.57 . 1 36 . 9 ASN HB2 H 2.77 . 2 37 . 9 ASN HB3 H 2.86 . 2 38 . 10 TYR H H 8.4 . 1 39 . 10 TYR HA H 4.25 . 1 40 . 10 TYR HB2 H 3 . 1 41 . 10 TYR HB3 H 3 . 1 42 . 11 THR H H 8.12 . 1 43 . 11 THR HA H 3.81 . 1 44 . 11 THR HB H 4.32 . 1 45 . 11 THR HG2 H 1.33 . 1 46 . 12 ARG H H 7.79 . 1 47 . 12 ARG HA H 4.02 . 1 48 . 12 ARG HB2 H 1.96 . 1 49 . 12 ARG HB3 H 1.96 . 1 50 . 12 ARG HG2 H 1.62 . 2 51 . 12 ARG HG3 H 1.82 . 2 52 . 12 ARG HD2 H 3.25 . 1 53 . 12 ARG HD3 H 3.25 . 1 54 . 12 ARG HE H 7.13 . 1 55 . 13 LEU H H 7.99 . 1 56 . 13 LEU HA H 4.14 . 1 57 . 13 LEU HB2 H 1.76 . 1 58 . 13 LEU HB3 H 1.76 . 1 59 . 13 LEU HG H 1.74 . 1 60 . 13 LEU HD1 H .96 . 1 61 . 13 LEU HD2 H .96 . 1 62 . 14 ARG H H 8.18 . 1 63 . 14 ARG HA H 4.2 . 1 64 . 14 ARG HB2 H 1.78 . 1 65 . 14 ARG HB3 H 1.78 . 1 66 . 14 ARG HG2 H 1.44 . 2 67 . 14 ARG HG3 H 1.58 . 2 68 . 14 ARG HD2 H 3.08 . 1 69 . 14 ARG HD3 H 3.08 . 1 70 . 14 ARG HE H 7.05 . 1 71 . 15 LYS H H 8.23 . 1 72 . 15 LYS HA H 3.97 . 1 73 . 15 LYS HB2 H 2.01 . 1 74 . 15 LYS HB3 H 2.01 . 1 75 . 16 GLN H H 8.21 . 1 76 . 16 GLN HA H 4 . 1 77 . 16 GLN HB2 H 2.18 . 2 78 . 16 GLN HB3 H 2.33 . 2 79 . 16 GLN HG2 H 2.64 . 1 80 . 16 GLN HG3 H 2.64 . 1 81 . 17 MET H H 8.43 . 1 82 . 17 MET HA H 4.19 . 1 83 . 17 MET HB2 H 2.14 . 2 84 . 17 MET HB3 H 2.26 . 2 85 . 17 MET HG2 H 2.79 . 1 86 . 17 MET HG3 H 2.79 . 1 87 . 17 MET HE H 2.16 . 1 88 . 18 ALA H H 7.99 . 1 89 . 18 ALA HA H 4.15 . 1 90 . 18 ALA HB H 1.61 . 1 91 . 19 VAL H H 8.23 . 1 92 . 19 VAL HA H 3.74 . 1 93 . 19 VAL HB H 2.26 . 1 94 . 19 VAL HG1 H 1.03 . 2 95 . 19 VAL HG2 H 1.12 . 2 96 . 20 LYS H H 8.09 . 1 97 . 20 LYS HA H 4.09 . 1 98 . 20 LYS HB2 H 1.98 . 1 99 . 20 LYS HB3 H 1.98 . 1 100 . 21 LYS H H 8.27 . 1 101 . 21 LYS HA H 4.06 . 1 102 . 21 LYS HB2 H 2.03 . 1 103 . 21 LYS HB3 H 2.03 . 1 104 . 22 TYR H H 8.29 . 1 105 . 22 TYR HA H 4.31 . 1 106 . 22 TYR HB2 H 3.26 . 2 107 . 22 TYR HB3 H 3.3 . 2 108 . 23 LEU H H 9.06 . 1 109 . 23 LEU HA H 3.95 . 1 110 . 23 LEU HB2 H 1.5 . 1 111 . 23 LEU HB3 H 1.5 . 1 112 . 23 LEU HG H 1.98 . 1 113 . 23 LEU HD1 H .92 . 1 114 . 23 LEU HD2 H .92 . 1 115 . 24 ASN H H 8.49 . 1 116 . 24 ASN HA H 4.36 . 1 117 . 24 ASN HB2 H 2.82 . 2 118 . 24 ASN HB3 H 2.93 . 2 119 . 25 SER H H 7.93 . 1 120 . 25 SER HA H 4.3 . 1 121 . 25 SER HB2 H 4.09 . 1 122 . 25 SER HB3 H 4.09 . 1 123 . 26 ILE H H 7.62 . 1 124 . 26 ILE HA H 3.98 . 1 125 . 26 ILE HB H 1.87 . 1 126 . 26 ILE HG12 H 1.05 . 2 127 . 26 ILE HG13 H 1.36 . 2 128 . 26 ILE HG2 H .8 . 1 129 . 26 ILE HD1 H .65 . 1 130 . 27 LEU H H 8.18 . 1 131 . 27 LEU HA H 3.95 . 1 132 . 27 LEU HB2 H 1.83 . 1 133 . 27 LEU HB3 H 1.83 . 1 134 . 27 LEU HG H 1.75 . 1 135 . 27 LEU HD1 H .8 . 2 136 . 27 LEU HD2 H .86 . 2 137 . 28 ASN H H 7.77 . 1 138 . 28 ASN HA H 4.79 . 1 139 . 28 ASN HB2 H 2.9 . 1 140 . 28 ASN HB3 H 2.9 . 1 stop_ save_