data_357 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational behavior of fragments of adrenocorticotropin and their antisense peptides determined by NMR spectroscopy and CD spectropolarimetry ; _BMRB_accession_number 357 _BMRB_flat_file_name bmr357.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 Najem Elias J. . 2 Corigliano-Murphy Angela . . 3 Ferretti James A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Najem, Elias J., Corigliano-Murphy, Angela, Ferretti, James A., "Conformational behavior of fragments of adrenocorticotropin and their antisense peptides determined by NMR spectroscopy and CD spectropolarimetry," FEBS Lett. 250 (2), 405-410 (1989). ; _Citation_title ; Conformational behavior of fragments of adrenocorticotropin and their antisense peptides determined by NMR spectroscopy and CD spectropolarimetry ; _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 Najem Elias J. . 2 Corigliano-Murphy Angela . . 3 Ferretti James A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 250 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 405 _Page_last 410 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_adrenocorticotropin _Saveframe_category molecular_system _Mol_system_name adrenocorticotropin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label adrenocorticotropin $adrenocorticotropin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_adrenocorticotropin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common adrenocorticotropin _Name_variant 'antisense residues of ACTH 1-24' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GVHLHRAPLLAHRLAPAEVF HGVR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 VAL 3 HIS 4 LEU 5 HIS 6 ARG 7 ALA 8 PRO 9 LEU 10 LEU 11 ALA 12 HIS 13 ARG 14 LEU 15 ALA 16 PRO 17 ALA 18 GLU 19 VAL 20 PHE 21 HIS 22 GLY 23 VAL 24 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2005-12-09 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $adrenocorticotropin . . . . . . 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 $adrenocorticotropin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . 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 6.6 . na temperature 291 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference is not available at this time.' 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 adrenocorticotropin _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 GLY H H 8.23 . 1 2 . 1 GLY HA2 H 3.86 . 1 3 . 1 GLY HA3 H 3.86 . 1 4 . 2 VAL H H 8.57 . 1 5 . 2 VAL HA H 4.12 . 1 6 . 2 VAL HB H 2.04 . 1 7 . 2 VAL HG1 H .91 . 1 8 . 2 VAL HG2 H .91 . 1 9 . 3 HIS H H 8.54 . 1 10 . 3 HIS HA H 4.74 . 1 11 . 3 HIS HB2 H 3.26 . 2 12 . 3 HIS HB3 H 3.29 . 2 13 . 4 LEU H H 8.36 . 1 14 . 4 LEU HA H 4.29 . 1 15 . 4 LEU HB2 H 1.64 . 1 16 . 4 LEU HB3 H 1.64 . 1 17 . 4 LEU HG H 1.64 . 1 18 . 5 HIS H H 8.52 . 1 19 . 5 HIS HA H 4.77 . 1 20 . 5 HIS HB2 H 3.23 . 2 21 . 5 HIS HB3 H 3.29 . 2 22 . 6 ARG H H 8.39 . 1 23 . 6 ARG HA H 4.35 . 1 24 . 6 ARG HB2 H 1.82 . 1 25 . 6 ARG HB3 H 1.82 . 1 26 . 6 ARG HG2 H 1.7 . 1 27 . 6 ARG HG3 H 1.7 . 1 28 . 6 ARG HD2 H 3.23 . 1 29 . 6 ARG HD3 H 3.23 . 1 30 . 6 ARG HE H 7.56 . 1 31 . 7 ALA H H 8.54 . 1 32 . 7 ALA HA H 4.67 . 1 33 . 7 ALA HB H 1.41 . 1 34 . 8 PRO HA H 4.39 . 1 35 . 8 PRO HB2 H 2.32 . 1 36 . 8 PRO HB3 H 2.32 . 1 37 . 8 PRO HG2 H 2 . 1 38 . 8 PRO HG3 H 2 . 1 39 . 8 PRO HD2 H 3.76 . 1 40 . 8 PRO HD3 H 3.76 . 1 41 . 9 LEU H H 8.25 . 1 42 . 9 LEU HA H 4.2 . 1 43 . 9 LEU HB2 H 1.81 . 1 44 . 9 LEU HB3 H 1.81 . 1 45 . 9 LEU HG H 1.64 . 1 46 . 9 LEU HD1 H .95 . 1 47 . 9 LEU HD2 H .95 . 1 48 . 10 LEU H H 7.98 . 1 49 . 10 LEU HA H 4.2 . 1 50 . 10 LEU HB2 H 1.7 . 1 51 . 10 LEU HB3 H 1.7 . 1 52 . 10 LEU HG H 1.65 . 1 53 . 10 LEU HD1 H .9 . 2 54 . 10 LEU HD2 H .95 . 2 55 . 11 ALA H H 8.18 . 1 56 . 11 ALA HA H 4.09 . 1 57 . 11 ALA HB H 1.37 . 1 58 . 12 HIS H H 8.09 . 1 59 . 12 HIS HA H 4.55 . 1 60 . 12 HIS HB2 H 3.29 . 2 61 . 12 HIS HB3 H 3.36 . 2 62 . 13 ARG H H 8.06 . 1 63 . 13 ARG HA H 4.25 . 1 64 . 13 ARG HB2 H 1.91 . 1 65 . 13 ARG HB3 H 1.91 . 1 66 . 13 ARG HG2 H 1.7 . 1 67 . 13 ARG HG3 H 1.7 . 1 68 . 13 ARG HD2 H 3.22 . 1 69 . 13 ARG HD3 H 3.22 . 1 70 . 13 ARG HE H 7.56 . 1 71 . 14 LEU H H 8.08 . 1 72 . 14 LEU HA H 4.37 . 1 73 . 14 LEU HB2 H 1.73 . 1 74 . 14 LEU HB3 H 1.73 . 1 75 . 14 LEU HG H 1.54 . 1 76 . 15 ALA H H 8.01 . 1 77 . 15 ALA HA H 4.49 . 1 78 . 15 ALA HB H 1.43 . 1 79 . 16 PRO HA H 4.29 . 1 80 . 16 PRO HB2 H 2.32 . 1 81 . 16 PRO HB3 H 2.32 . 1 82 . 16 PRO HG2 H 1.98 . 1 83 . 16 PRO HG3 H 1.98 . 1 84 . 16 PRO HD2 H 3.75 . 1 85 . 16 PRO HD3 H 3.75 . 1 86 . 17 ALA H H 8.15 . 1 87 . 17 ALA HA H 4.24 . 1 88 . 17 ALA HB H 1.47 . 1 89 . 18 GLU H H 8.03 . 1 90 . 18 GLU HA H 4.23 . 1 91 . 18 GLU HB2 H 2.15 . 1 92 . 18 GLU HB3 H 2.15 . 1 93 . 18 GLU HG2 H 2.47 . 2 94 . 18 GLU HG3 H 2.55 . 2 95 . 19 VAL H H 7.82 . 1 96 . 19 VAL HA H 3.88 . 1 97 . 19 VAL HB H 1.96 . 1 98 . 19 VAL HG1 H .67 . 2 99 . 19 VAL HG2 H .86 . 2 100 . 20 PHE H H 8.18 . 1 101 . 20 PHE HA H 4.48 . 1 102 . 20 PHE HB2 H 2.98 . 2 103 . 20 PHE HB3 H 3.11 . 2 104 . 21 HIS H H 8.06 . 1 105 . 21 HIS HA H 4.65 . 1 106 . 21 HIS HB2 H 3.26 . 2 107 . 21 HIS HB3 H 3.48 . 2 108 . 22 GLY H H 8.01 . 1 109 . 22 GLY HA2 H 3.94 . 1 110 . 22 GLY HA3 H 3.94 . 1 111 . 23 VAL H H 8.03 . 1 112 . 23 VAL HA H 4.21 . 1 113 . 23 VAL HB H 2.11 . 1 114 . 23 VAL HG1 H .98 . 1 115 . 23 VAL HG2 H .98 . 1 116 . 24 ARG H H 8.54 . 1 117 . 24 ARG HA H 4.4 . 1 118 . 24 ARG HB2 H 1.79 . 2 119 . 24 ARG HB3 H 1.9 . 2 120 . 24 ARG HG2 H 1.64 . 1 121 . 24 ARG HG3 H 1.64 . 1 122 . 24 ARG HD2 H 3.19 . 1 123 . 24 ARG HD3 H 3.19 . 1 124 . 24 ARG HE H 7.46 . 1 stop_ save_