data_682 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the isolated ribonuclease C-terminal 112-124 fragment ; _BMRB_accession_number 682 _BMRB_flat_file_name bmr682.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Jimenez M. Angeles . 2 Rico Manuel . . 3 Herranz Jose . . 4 Santoro Jorge . . 5 Nieto Jose Luis . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 71 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' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2008-10-16 update BMRB 'Sequence information corrected' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Jimenez, M. Angeles, Rico, Manuel, Herranz, Jose, Santoro, Jorge, Nieto, Jose Luis, "Solution structure of the isolated ribonuclease C-terminal 112-124 fragment," Biochim. Biophys. Acta 1038, 322-329 (1990). ; _Citation_title 'Solution structure of the isolated ribonuclease C-terminal 112-124 fragment' _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 Jimenez M. Angeles . 2 Rico Manuel . . 3 Herranz Jose . . 4 Santoro Jorge . . 5 Nieto Jose Luis . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1038 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 322 _Page_last 329 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_ribonuclease_A _Saveframe_category molecular_system _Mol_system_name 'ribonuclease A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ribonuclease A' $ribonuclease_A stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ribonuclease_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribonuclease A' _Name_variant 'residues 112-124 carboxy-terminal fragment' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 13 _Mol_residue_sequence GNPYVPVHFDASV loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASN 3 PRO 4 TYR 5 VAL 6 PRO 7 VAL 8 HIS 9 PHE 10 ASP 11 ALA 12 SER 13 VAL stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2005-11-24 save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ribonuclease_A '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_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 . pH temperature 295 . 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 TSP H . . ppm 0 . . . . . 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 'ribonuclease A' _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 HA2 H 3.85 . 1 2 . 1 GLY HA3 H 3.85 . 1 3 . 2 ASN H H 8.66 . 1 4 . 2 ASN HA H 5.04 . 1 5 . 2 ASN HB2 H 2.88 . 2 6 . 2 ASN HB3 H 2.68 . 2 7 . 2 ASN HD21 H 7.68 . 2 8 . 2 ASN HD22 H 7.03 . 2 9 . 3 PRO HA H 4.43 . 1 10 . 3 PRO HB2 H 2.22 . 2 11 . 3 PRO HB3 H 1.78 . 2 12 . 3 PRO HG2 H 1.97 . 1 13 . 3 PRO HG3 H 1.97 . 1 14 . 3 PRO HD2 H 3.61 . 1 15 . 3 PRO HD3 H 3.61 . 1 16 . 4 TYR H H 8.32 . 1 17 . 4 TYR HA H 4.54 . 1 18 . 4 TYR HB2 H 3.06 . 2 19 . 4 TYR HB3 H 2.94 . 2 20 . 4 TYR HD1 H 7.13 . 1 21 . 4 TYR HD2 H 7.13 . 1 22 . 4 TYR HE1 H 6.83 . 1 23 . 4 TYR HE2 H 6.83 . 1 24 . 5 VAL H H 7.81 . 1 25 . 5 VAL HA H 4.31 . 1 26 . 5 VAL HB H 1.92 . 1 27 . 5 VAL HG1 H .89 . 2 28 . 5 VAL HG2 H .87 . 2 29 . 6 PRO HA H 4.29 . 1 30 . 6 PRO HB2 H 2.26 . 2 31 . 6 PRO HB3 H 1.8 . 2 32 . 6 PRO HG2 H 1.92 . 1 33 . 6 PRO HG3 H 1.92 . 1 34 . 6 PRO HD2 H 3.83 . 2 35 . 6 PRO HD3 H 3.72 . 2 36 . 7 VAL H H 8.09 . 1 37 . 7 VAL HA H 3.97 . 1 38 . 7 VAL HB H 1.93 . 1 39 . 7 VAL HG1 H .91 . 2 40 . 7 VAL HG2 H .8 . 2 41 . 8 HIS H H 8.47 . 1 42 . 8 HIS HA H 4.69 . 1 43 . 8 HIS HB2 H 3.17 . 2 44 . 8 HIS HB3 H 3.13 . 2 45 . 8 HIS HD2 H 7.23 . 1 46 . 8 HIS HE1 H 8.57 . 1 47 . 9 PHE H H 8.39 . 1 48 . 9 PHE HA H 4.6 . 1 49 . 9 PHE HB2 H 3.08 . 2 50 . 9 PHE HB3 H 2.98 . 2 51 . 9 PHE HD1 H 7.23 . 1 52 . 9 PHE HD2 H 7.23 . 1 53 . 9 PHE HE1 H 7.34 . 1 54 . 9 PHE HE2 H 7.34 . 1 55 . 9 PHE HZ H 7.33 . 1 56 . 10 ASP H H 8.38 . 1 57 . 10 ASP HA H 4.57 . 1 58 . 10 ASP HB2 H 2.7 . 2 59 . 10 ASP HB3 H 2.56 . 2 60 . 11 ALA H H 8.24 . 1 61 . 11 ALA HA H 4.33 . 1 62 . 11 ALA HB H 1.43 . 1 63 . 12 SER H H 8.42 . 1 64 . 12 SER HA H 4.45 . 1 65 . 12 SER HB2 H 3.89 . 1 66 . 12 SER HB3 H 3.89 . 1 67 . 13 VAL H H 7.68 . 1 68 . 13 VAL HA H 4.08 . 1 69 . 13 VAL HB H 2.11 . 1 70 . 13 VAL HG1 H .91 . 2 71 . 13 VAL HG2 H .89 . 2 stop_ save_