data_1968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 1H NMR Spectroscopy ; _BMRB_accession_number 1968 _BMRB_flat_file_name bmr1968.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Gooley Paul R. . 2 MacKenzie Neil E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 2008-10-01 revision BMRB 'Updating non-standard residue' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Gooley, Paul R., MacKenzie, Neil E., "Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 1H NMR Spectroscopy," Biochemistry 27 (11), 4032-4040 (1988). ; _Citation_title ; Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 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 Gooley Paul R. . 2 MacKenzie Neil E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 27 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4032 _Page_last 4040 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_endothelin _Saveframe_category molecular_system _Mol_system_name endothelin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label endothelin $endothelin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_endothelin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common endothelin _Name_variant Nle7 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; VFTNSLVFGTSDRVYEKLKD LEEGILALMRELEDGTPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 96 VAL 2 97 PHE 3 98 THR 4 99 ASN 5 100 SER 6 101 LEU 7 102 VAL 8 103 PHE 9 104 GLY 10 105 THR 11 106 SER 12 107 ASP 13 108 ARG 14 109 VAL 15 110 TYR 16 111 GLU 17 112 LYS 18 113 LEU 19 114 LYS 20 115 ASP 21 116 LEU 22 117 GLU 23 118 GLU 24 119 GLY 25 120 ILE 26 121 LEU 27 122 ALA 28 123 LEU 29 124 MET 30 125 ARG 31 126 GLU 32 127 LEU 33 128 GLU 34 129 ASP 35 130 GLY 36 131 THR 37 132 PRO 38 133 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2395 somatotropin 100.00 133 100.00 100.00 2.82e-16 DBJ BAA00368 "growth hormone [Capra hircus]" 100.00 217 97.37 97.37 9.12e-15 DBJ BAE66634 "growth hormone [Ovis aries]" 100.00 187 97.37 97.37 3.11e-15 EMBL CAA04181 "growth hormone [Bubalus bubalis]" 78.95 54 100.00 100.00 7.93e-11 EMBL CAA09679 "growth hormone [Bubalus bubalis]" 100.00 217 100.00 100.00 2.57e-16 EMBL CAA23445 "unnamed protein product [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 EMBL CAA30083 "unnamed protein product [Capra hircus]" 100.00 217 97.37 97.37 9.12e-15 EMBL CAA31063 "growth hormone [Ovis aries]" 100.00 217 97.37 97.37 9.12e-15 GB AAA30542 "presomatotropin [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 GB AAA30543 "growth hormone precursor [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 GB AAA30544 "growth hormone [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 GB AAA30556 "adrenocorticotropic [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 GB AAB24467 "growth hormone [Ovis aries]" 100.00 217 97.37 97.37 9.12e-15 PRF 1005182A somatotropin,pre 100.00 217 97.37 97.37 9.12e-15 PRF 1510157A somatotropin 100.00 217 97.37 97.37 9.12e-15 PRF 1805146A somatotropin 100.00 217 97.37 97.37 9.49e-15 REF NP_001009315 "somatotropin precursor [Ovis aries]" 100.00 217 97.37 97.37 9.12e-15 REF NP_001166330 "somatotropin precursor [Cavia porcellus]" 100.00 216 97.37 97.37 1.82e-15 REF NP_001272515 "somatotropin precursor [Capra hircus]" 100.00 217 97.37 97.37 9.12e-15 REF NP_001277858 "somatotropin-like precursor [Bubalus bubalis]" 100.00 217 100.00 100.00 3.67e-16 REF NP_851339 "somatotropin precursor [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 SP O18938 "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Flags: Precursor" 100.00 217 100.00 100.00 2.57e-16 SP P01246 "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Flags: Precursor" 100.00 217 100.00 100.00 3.67e-16 SP P56437 "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Flags: Precursor" 100.00 217 100.00 100.00 3.93e-16 SP P67930 "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Flags: Precursor" 100.00 217 97.37 97.37 9.12e-15 SP P67931 "RecName: Full=Somatotropin; AltName: Full=Growth hormone; Flags: Precursor" 100.00 217 97.37 97.37 9.12e-15 TPE CDW51456 "TPA: growth hormone B1 [Cavia porcellus]" 100.00 216 97.37 97.37 1.82e-15 TPG DAA18334 "TPA: somatotropin precursor [Bos taurus]" 100.00 217 100.00 100.00 3.67e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $endothelin Human Eukaryota 9606 Metazoa Homo sapiens sapiens 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 $endothelin '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 3.6 . n/a temperature 308 . 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 endothelin _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 96 1 VAL HA H 3.81 . 1 2 96 1 VAL HB H 2.21 . 1 3 96 1 VAL HG1 H 0.99 . 2 4 96 1 VAL HG2 H 1.02 . 2 5 97 2 PHE H H 8.53 . 1 6 97 2 PHE HA H 4.79 . 1 7 97 2 PHE HB2 H 3.11 . 2 8 97 2 PHE HB3 H 3.19 . 2 9 98 3 THR H H 7.86 . 1 10 98 3 THR HA H 4.27 . 1 11 98 3 THR HB H 4.2 . 1 12 98 3 THR HG2 H 1.15 . 1 13 99 4 ASN H H 8.08 . 1 14 99 4 ASN HA H 4.65 . 1 15 99 4 ASN HB2 H 2.78 . 2 16 99 4 ASN HB3 H 2.86 . 2 17 99 4 ASN HD21 H 6.68 . 2 18 99 4 ASN HD22 H 7.44 . 2 19 100 5 SER H H 8.12 . 1 20 100 5 SER HA H 4.37 . 1 21 100 5 SER HB2 H 3.95 . 2 22 100 5 SER HB3 H 3.89 . 2 23 101 6 LEU H H 7.98 . 1 24 101 6 LEU HA H 4.31 . 1 25 101 6 LEU HB2 H 1.59 . 2 26 101 6 LEU HB3 H 1.71 . 2 27 101 6 LEU HG H 1.64 . 1 28 101 6 LEU HD1 H 0.88 . 2 29 101 6 LEU HD2 H 0.94 . 2 30 102 7 VAL H H 7.62 . 1 31 102 7 VAL HA H 3.92 . 1 32 102 7 VAL HB H 1.96 . 1 33 102 7 VAL HG1 H 0.87 . 2 34 102 7 VAL HG2 H 0.76 . 2 35 103 8 PHE H H 7.86 . 1 36 103 8 PHE HA H 4.58 . 1 37 103 8 PHE HB2 H 3.04 . 2 38 103 8 PHE HB3 H 3.22 . 2 39 104 9 GLY H H 8.16 . 1 40 104 9 GLY HA2 H 4.01 . 1 41 104 9 GLY HA3 H 4.01 . 1 42 105 10 THR H H 7.94 . 1 43 105 10 THR HA H 4.28 . 1 44 105 10 THR HB H 4.32 . 1 45 105 10 THR HG2 H 1.26 . 1 46 106 11 SER H H 8.21 . 1 47 106 11 SER HA H 4.33 . 1 48 106 11 SER HB2 H 3.94 . 2 49 106 11 SER HB3 H 4.01 . 2 50 107 12 ASP H H 8.28 . 1 51 107 12 ASP HA H 4.61 . 1 52 107 12 ASP HB2 H 2.86 . 1 53 107 12 ASP HB3 H 2.86 . 1 54 108 13 ARG H H 7.96 . 1 55 108 13 ARG HA H 4.16 . 1 56 108 13 ARG HB2 H 1.95 . 1 57 108 13 ARG HB3 H 1.95 . 1 58 108 13 ARG HG2 H 1.73 . 2 59 108 13 ARG HG3 H 1.82 . 2 60 108 13 ARG HD2 H 3.25 . 1 61 108 13 ARG HD3 H 3.25 . 1 62 108 13 ARG HE H 7.22 . 1 63 109 14 VAL H H 7.83 . 1 64 109 14 VAL HA H 3.68 . 1 65 109 14 VAL HB H 2.12 . 1 66 109 14 VAL HG1 H 1.01 . 2 67 109 14 VAL HG2 H 0.89 . 2 68 110 15 TYR H H 7.89 . 1 69 110 15 TYR HA H 4.17 . 1 70 110 15 TYR HB2 H 3.13 . 1 71 110 15 TYR HB3 H 3.13 . 1 72 110 15 TYR HD1 H 6.82 . 1 73 110 15 TYR HD2 H 6.82 . 1 74 110 15 TYR HE1 H 7 . 1 75 110 15 TYR HE2 H 7 . 1 76 111 16 GLU H H 8.05 . 1 77 111 16 GLU HA H 3.92 . 1 78 111 16 GLU HB2 H 2.19 . 1 79 111 16 GLU HB3 H 2.19 . 1 80 111 16 GLU HG2 H 2.57 . 1 81 111 16 GLU HG3 H 2.57 . 1 82 112 17 LYS H H 7.73 . 1 83 112 17 LYS HA H 4.13 . 1 84 112 17 LYS HB2 H 2.01 . 2 85 112 17 LYS HB3 H 2.06 . 2 86 112 17 LYS HG2 H 1.56 . 2 87 112 17 LYS HG3 H 1.65 . 2 88 112 17 LYS HD2 H 1.76 . 1 89 112 17 LYS HD3 H 1.76 . 1 90 112 17 LYS HE2 H 2.99 . 1 91 112 17 LYS HE3 H 2.99 . 1 92 113 18 LEU H H 8.2 . 1 93 113 18 LEU HA H 4.1 . 1 94 113 18 LEU HB2 H 1.81 . 1 95 113 18 LEU HB3 H 1.81 . 1 96 113 18 LEU HD1 H 0.86 . 1 97 113 18 LEU HD2 H 0.86 . 1 98 114 19 LYS H H 8.22 . 1 99 114 19 LYS HA H 3.93 . 1 100 114 19 LYS HB2 H 1.68 . 2 101 114 19 LYS HB3 H 1.82 . 2 102 114 19 LYS HG2 H 1.4 . 1 103 114 19 LYS HG3 H 1.4 . 1 104 114 19 LYS HD2 H 1.7 . 1 105 114 19 LYS HD3 H 1.7 . 1 106 114 19 LYS HE2 H 2.96 . 1 107 114 19 LYS HE3 H 2.96 . 1 108 115 20 ASP H H 8.05 . 1 109 115 20 ASP HA H 4.44 . 1 110 115 20 ASP HB2 H 2.85 . 2 111 115 20 ASP HB3 H 3.1 . 2 112 116 21 LEU H H 8.16 . 1 113 116 21 LEU HA H 4.19 . 1 114 116 21 LEU HB2 H 1.84 . 1 115 116 21 LEU HB3 H 1.84 . 1 116 117 22 GLU H H 8.55 . 1 117 117 22 GLU HA H 4 . 1 118 117 22 GLU HB2 H 2.37 . 1 119 117 22 GLU HB3 H 2.37 . 1 120 117 22 GLU HG2 H 2.61 . 1 121 117 22 GLU HG3 H 2.61 . 1 122 118 23 GLU H H 8.43 . 1 123 118 23 GLU HA H 4.04 . 1 124 118 23 GLU HB2 H 1.99 . 2 125 118 23 GLU HB3 H 2.29 . 2 126 118 23 GLU HG2 H 2.73 . 2 127 118 23 GLU HG3 H 2.5 . 2 128 119 24 GLY H H 8.14 . 1 129 119 24 GLY HA2 H 3.89 . 2 130 119 24 GLY HA3 H 4.02 . 2 131 120 25 ILE H H 8.37 . 1 132 120 25 ILE HA H 3.8 . 1 133 120 25 ILE HB H 2.01 . 1 134 120 25 ILE HG12 H 1.15 . 2 135 120 25 ILE HG13 H 1.75 . 2 136 120 25 ILE HG2 H 0.95 . 1 137 120 25 ILE HD1 H 0.83 . 1 138 121 26 LEU H H 8.17 . 1 139 121 26 LEU HA H 4.1 . 1 140 121 26 LEU HB2 H 1.88 . 1 141 121 26 LEU HB3 H 1.88 . 1 142 122 27 ALA H H 7.98 . 1 143 122 27 ALA HA H 4.09 . 1 144 122 27 ALA HB H 1.57 . 1 145 123 28 LEU H H 7.93 . 1 146 123 28 LEU HA H 4.16 . 1 147 123 28 LEU HB2 H 1.84 . 1 148 123 28 LEU HB3 H 1.84 . 1 149 124 29 MET H H 8.64 . 1 150 124 29 MET HA H 4.07 . 1 151 124 29 MET HB2 H 2.28 . 2 152 124 29 MET HB3 H 2.09 . 2 153 124 29 MET HG2 H 2.47 . 2 154 124 29 MET HG3 H 2.77 . 2 155 124 29 MET HE H 1.97 . 1 156 125 30 ARG H H 8.14 . 1 157 125 30 ARG HA H 4.05 . 1 158 125 30 ARG HB2 H 2 . 1 159 125 30 ARG HB3 H 2 . 1 160 125 30 ARG HG2 H 1.71 . 2 161 125 30 ARG HG3 H 1.85 . 2 162 125 30 ARG HD2 H 3.23 . 1 163 125 30 ARG HD3 H 3.23 . 1 164 125 30 ARG HE H 7.19 . 1 165 126 31 GLU H H 7.96 . 1 166 126 31 GLU HA H 4.13 . 1 167 126 31 GLU HB2 H 2.25 . 2 168 126 31 GLU HB3 H 2.35 . 2 169 126 31 GLU HG2 H 2.52 . 2 170 126 31 GLU HG3 H 2.6 . 2 171 127 32 LEU H H 8.32 . 1 172 127 32 LEU HA H 4.17 . 1 173 127 32 LEU HB2 H 1.59 . 1 174 127 32 LEU HB3 H 1.59 . 1 175 128 33 GLU H H 8.13 . 1 176 128 33 GLU HA H 4.21 . 1 177 128 33 GLU HB2 H 2.18 . 1 178 128 33 GLU HB3 H 2.18 . 1 179 128 33 GLU HG2 H 2.47 . 2 180 128 33 GLU HG3 H 2.63 . 2 181 129 34 ASP H H 8.14 . 1 182 129 34 ASP HA H 4.77 . 1 183 129 34 ASP HB2 H 2.97 . 1 184 129 34 ASP HB3 H 2.97 . 1 185 130 35 GLY H H 8.04 . 1 186 130 35 GLY HA2 H 3.94 . 2 187 130 35 GLY HA3 H 4.11 . 2 188 131 36 THR H H 7.72 . 1 189 131 36 THR HA H 4.64 . 1 190 131 36 THR HB H 4.21 . 1 191 131 36 THR HG2 H 1.27 . 1 192 132 37 PRO HA H 4.46 . 1 193 132 37 PRO HB2 H 1.98 . 2 194 132 37 PRO HB3 H 2.28 . 2 195 132 37 PRO HG2 H 2.05 . 1 196 132 37 PRO HG3 H 2.05 . 1 197 132 37 PRO HD2 H 3.71 . 2 198 132 37 PRO HD3 H 3.87 . 2 199 133 38 ARG H H 7.92 . 1 200 133 38 ARG HA H 4.34 . 1 201 133 38 ARG HB2 H 1.78 . 2 202 133 38 ARG HB3 H 1.94 . 2 203 133 38 ARG HG2 H 1.68 . 1 204 133 38 ARG HG3 H 1.68 . 1 205 133 38 ARG HD2 H 3.24 . 1 206 133 38 ARG HD3 H 3.24 . 1 207 133 38 ARG HE H 7.14 . 1 stop_ save_