data_1562 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Opioid Peptides in Micellar Systems: Conformational Analysis by CD and by One-Dimensional and Two-Dimensional 1H-NMR Spectroscopy ; _BMRB_accession_number 1562 _BMRB_flat_file_name bmr1562.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 Zetta Lucia . . 2 Consonni Roberto . . 3 'De Marco' A. . . 4 Longhi Renato . . 5 Manera Ernesto . . 6 Vecchio Giuseppe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 83 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 ; Zetta, Lucia, Consonni, Roberto, De Marco, A., Longhi, Renato, Manera, Ernesto, Vecchio, Giuseppe, "Opioid Peptides in Micellar Systems: Conformational Analysis by CD and by One-Dimensional and Two-Dimensional 1H-NMR Spectroscopy," Biopolymers 30, 899-909 (1990). ; _Citation_title ; Opioid Peptides in Micellar Systems: Conformational Analysis by CD and by One-Dimensional and 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 Zetta Lucia . . 2 Consonni Roberto . . 3 'De Marco' A. . . 4 Longhi Renato . . 5 Manera Ernesto . . 6 Vecchio Giuseppe . . stop_ _Journal_abbreviation Biopolymers _Journal_volume 30 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 899 _Page_last 909 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_beta-endorphin _Saveframe_category molecular_system _Mol_system_name beta-endorphin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label beta-endorphin $beta-endorphin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta-endorphin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-endorphin _Name_variant 'residues 12-26' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence TPLVTLFKNAIIKNA loop_ _Residue_seq_code _Residue_label 1 THR 2 PRO 3 LEU 4 VAL 5 THR 6 LEU 7 PHE 8 LYS 9 ASN 10 ALA 11 ILE 12 ILE 13 LYS 14 ASN 15 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 19 beta-endorphin 100.00 31 100.00 100.00 2.71e+00 DBJ BAB30771 "unnamed protein product [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 DBJ BAB30818 "unnamed protein product [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 DBJ BAC27095 "unnamed protein product [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 DBJ BAC36795 "unnamed protein product [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 DBJ BAE21739 "unnamed protein product [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 EMBL CAA23440 "unnamed protein product [Bos taurus]" 100.00 265 100.00 100.00 3.54e+00 EMBL CAA23441 "unnamed protein product, partial [Bos taurus]" 100.00 191 100.00 100.00 2.62e+00 EMBL CAA24754 "proopiomelanocortin [Homo sapiens]" 100.00 267 100.00 100.00 3.56e+00 EMBL CAA24770 "unnamed protein product [Mus musculus]" 100.00 191 100.00 100.00 2.62e+00 EMBL CAD45184 "proopiomelanocortin [Ovis aries]" 100.00 263 100.00 100.00 3.52e+00 GB AAA30354 "corticotropin-beta-lipoprotein precursor [Bos taurus]" 100.00 265 100.00 100.00 3.54e+00 GB AAA30414 "ATCH-beta-lipotropin precursor [Bos taurus]" 100.00 187 100.00 100.00 2.56e+00 GB AAA30967 "proopiomelanocortin, partial [Neovison vison]" 100.00 142 100.00 100.00 1.60e+00 GB AAA60140 "proopiomelanocortin precursor, partial [Homo sapiens]" 100.00 262 100.00 100.00 3.51e+00 GB AAA66022 "opiomelanocortin [Macaca nemestrina]" 100.00 264 100.00 100.00 3.53e+00 PRF 0309219A "endorphin beta" 100.00 31 100.00 100.00 2.73e+00 PRF 0309219B "lipotropin beta" 100.00 91 100.00 100.00 7.64e-01 PRF 0505581A corticotropin 100.00 265 100.00 100.00 3.54e+00 PRF 0603234A "lipotropin beta" 100.00 91 100.00 100.00 7.64e-01 PRF 0703235A "lipotropin beta" 100.00 89 100.00 100.00 7.56e-01 REF NP_000930 "pro-opiomelanocortin preproprotein [Homo sapiens]" 100.00 267 100.00 100.00 3.56e+00 REF NP_001009266 "pro-opiomelanocortin precursor [Ovis aries]" 100.00 263 100.00 100.00 3.52e+00 REF NP_001030333 "pro-opiomelanocortin preproprotein [Homo sapiens]" 100.00 267 100.00 100.00 3.56e+00 REF NP_001265510 "pro-opiomelanocortin preproprotein [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 REF NP_001265511 "pro-opiomelanocortin preproprotein [Mus musculus]" 100.00 235 100.00 100.00 3.21e+00 SP P01189 "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " 100.00 267 100.00 100.00 3.56e+00 SP P01190 "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " 100.00 265 100.00 100.00 3.54e+00 SP P01191 "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " 100.00 263 100.00 100.00 3.52e+00 SP P01193 "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " 100.00 235 100.00 100.00 3.21e+00 SP P01201 "RecName: Full=Pro-opiomelanocortin; Short=POMC; AltName: Full=Corticotropin-lipotropin; Contains: RecName: Full=NPP; Contains: " 100.00 264 100.00 100.00 3.53e+00 TPG DAA24362 "TPA: pro-opiomelanocortin [Bos taurus]" 100.00 265 100.00 100.00 3.54e+00 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 $beta-endorphin 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 $beta-endorphin '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 10.2 . na temperature 323 . 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 TSP 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 beta-endorphin _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 THR HB H 4.35 . 1 2 . 1 THR HG2 H 1.47 . 1 3 . 2 PRO HB2 H 2.06 . 2 4 . 2 PRO HB3 H 2.54 . 2 5 . 2 PRO HG2 H 2.19 . 1 6 . 2 PRO HG3 H 2.19 . 1 7 . 2 PRO HD2 H 3.95 . 1 8 . 2 PRO HD3 H 3.95 . 1 9 . 3 LEU H H 8.4 . 1 10 . 3 LEU HA H 4.04 . 1 11 . 3 LEU HB2 H 1.6 . 2 12 . 3 LEU HB3 H 1.95 . 2 13 . 3 LEU HG H 1.77 . 1 14 . 3 LEU HD1 H .95 . 2 15 . 3 LEU HD2 H .97 . 2 16 . 4 VAL H H 7.82 . 1 17 . 4 VAL HA H 3.74 . 1 18 . 4 VAL HB H 2.19 . 1 19 . 4 VAL HG1 H 1.12 . 1 20 . 4 VAL HG2 H 1.12 . 1 21 . 5 THR H H 7.47 . 1 22 . 5 THR HA H 3.97 . 1 23 . 5 THR HB H 4.23 . 1 24 . 5 THR HG2 H 1.27 . 1 25 . 6 LEU H H 7.81 . 1 26 . 6 LEU HA H 4.1 . 1 27 . 6 LEU HB2 H 1.65 . 2 28 . 6 LEU HB3 H 1.9 . 2 29 . 6 LEU HD1 H .89 . 2 30 . 6 LEU HD2 H .94 . 2 31 . 7 PHE H H 8.15 . 1 32 . 7 PHE HA H 4.25 . 1 33 . 7 PHE HB2 H 3.2 . 1 34 . 7 PHE HB3 H 3.2 . 1 35 . 7 PHE HD1 H 7.22 . 1 36 . 7 PHE HD2 H 7.22 . 1 37 . 7 PHE HE1 H 7.22 . 1 38 . 7 PHE HE2 H 7.22 . 1 39 . 7 PHE HZ H 7.22 . 1 40 . 8 LYS H H 8.45 . 1 41 . 8 LYS HA H 3.85 . 1 42 . 8 LYS HB2 H 2.05 . 1 43 . 8 LYS HB3 H 2.05 . 1 44 . 8 LYS HD2 H 1.78 . 2 45 . 8 LYS HD3 H 1.72 . 2 46 . 8 LYS HE2 H 2.85 . 2 47 . 8 LYS HE3 H 2.97 . 2 48 . 8 LYS HZ H 7.47 . 1 49 . 9 ASN HB2 H 2.81 . 2 50 . 9 ASN HB3 H 2.98 . 2 51 . 10 ALA H H 7.96 . 1 52 . 10 ALA HA H 4.22 . 1 53 . 10 ALA HB H 1.53 . 1 54 . 11 ILE H H 7.75 . 1 55 . 11 ILE HA H 3.94 . 1 56 . 11 ILE HB H 1.93 . 1 57 . 11 ILE HG12 H 1.16 . 2 58 . 11 ILE HG13 H 1.53 . 2 59 . 11 ILE HG2 H .87 . 1 60 . 11 ILE HD1 H .75 . 1 61 . 12 ILE H H 7.84 . 1 62 . 12 ILE HA H 3.97 . 1 63 . 12 ILE HB H 2.03 . 1 64 . 12 ILE HG12 H 1.32 . 2 65 . 12 ILE HG13 H 1.62 . 2 66 . 12 ILE HG2 H .99 . 1 67 . 12 ILE HD1 H .92 . 1 68 . 13 LYS H H 7.84 . 1 69 . 13 LYS HA H 4.22 . 1 70 . 13 LYS HB2 H 1.9 . 1 71 . 13 LYS HB3 H 1.9 . 1 72 . 13 LYS HD2 H 1.78 . 2 73 . 13 LYS HD3 H 1.72 . 2 74 . 13 LYS HE2 H 2.85 . 2 75 . 13 LYS HE3 H 2.97 . 2 76 . 13 LYS HZ H 7.39 . 1 77 . 14 ASN H H 7.8 . 1 78 . 14 ASN HA H 4.81 . 1 79 . 14 ASN HB2 H 2.69 . 2 80 . 14 ASN HB3 H 2.85 . 2 81 . 15 ALA H H 7.84 . 1 82 . 15 ALA HA H 4.35 . 1 83 . 15 ALA HB H 1.47 . 1 stop_ save_