data_623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformation of a Heptadecapeptide Comprising the Segment Encephalitogenic in Rhesus Monkeys ; _BMRB_accession_number 623 _BMRB_flat_file_name bmr623.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 Price William S. . 2 Mendz George L. . 3 Martenson Russell E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 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 ; Price, William S., Mendz, George L., Martenson, Russell E., "Conformation of a Heptadecapeptide Comprising the Segment Encephalitogenic in Rhesus Monkeys," Biochemistry 27, 8990-8999 (1988). ; _Citation_title ; Conformation of a Heptadecapeptide Comprising the Segment Encephalitogenic in Rhesus Monkeys ; _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 Price William S. . 2 Mendz George L. . 3 Martenson Russell E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 27 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8990 _Page_last 8999 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_myelin_basic_protein _Saveframe_category molecular_system _Mol_system_name 'myelin basic protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'myelin basic protein' $myelin_basic_protein stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_myelin_basic_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'myelin basic protein' _Name_variant 'encephalitogenic segment residues 152-168' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence FKLGGRDSRSGSPMARR loop_ _Residue_seq_code _Residue_label 1 PHE 2 LYS 3 LEU 4 GLY 5 GLY 6 ARG 7 ASP 8 SER 9 ARG 10 SER 11 GLY 12 SER 13 PRO 14 MET 15 ALA 16 ARG 17 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15131 MBP 100.00 176 100.00 100.00 3.04e-01 BMRB 335 "myelin basic protein" 100.00 17 100.00 100.00 1.77e-01 BMRB 6100 rmMBP 100.00 176 100.00 100.00 3.04e-01 DBJ BAC85616 "unnamed protein product [Homo sapiens]" 100.00 144 100.00 100.00 1.73e-01 DBJ BAC85961 "unnamed protein product [Homo sapiens]" 100.00 144 100.00 100.00 1.73e-01 DBJ BAE87162 "unnamed protein product [Macaca fascicularis]" 100.00 160 100.00 100.00 2.81e-01 DBJ BAF82582 "unnamed protein product [Homo sapiens]" 100.00 186 100.00 100.00 4.29e-01 DBJ BAG53615 "unnamed protein product [Homo sapiens]" 100.00 144 100.00 100.00 1.73e-01 EMBL CAA35179 "myelin basic protein [Homo sapiens]" 100.00 197 100.00 100.00 5.18e-01 EMBL CAG46717 "MBP [Homo sapiens]" 100.00 160 100.00 100.00 2.94e-01 EMBL CAH92266 "hypothetical protein [Pongo abelii]" 100.00 160 100.00 100.00 2.81e-01 EMBL CAH92798 "hypothetical protein [Pongo abelii]" 100.00 171 100.00 100.00 3.76e-01 EMBL CAI29645 "hypothetical protein [Pongo abelii]" 100.00 171 100.00 100.00 3.76e-01 GB AAA39496 "18.5 kd myelin basic protein, partial [Mus musculus]" 100.00 169 100.00 100.00 3.35e-01 GB AAA39501 "18.5 kd myelin basic protein [Mus musculus]" 100.00 169 100.00 100.00 3.35e-01 GB AAA39502 "21.5 kd myelin basic protein [Mus musculus]" 100.00 195 100.00 100.00 4.54e-01 GB AAA59559 "17.3K myelin basic protein [Homo sapiens]" 100.00 160 100.00 100.00 2.94e-01 GB AAA59562 "myelin basic protein [Homo sapiens]" 100.00 171 100.00 100.00 3.88e-01 PRF 1003243A "protein 21.5K,myelin basic" 100.00 199 100.00 100.00 4.39e-01 PRF 1102236A "protein,myelin basic" 100.00 172 100.00 100.00 3.65e-01 REF NP_001001546 "myelin basic protein [Sus scrofa]" 100.00 173 100.00 100.00 3.81e-01 REF NP_001020252 "myelin basic protein isoform 1 [Homo sapiens]" 100.00 197 100.00 100.00 5.18e-01 REF NP_001020261 "myelin basic protein isoform 3 [Homo sapiens]" 100.00 171 100.00 100.00 3.88e-01 REF NP_001020263 "myelin basic protein isoform 4 [Homo sapiens]" 100.00 160 100.00 100.00 2.94e-01 REF NP_001020272 "Golli-MBP isoform 1 [Homo sapiens]" 100.00 304 100.00 100.00 3.95e-01 SP P02686 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein; AltName: Full=Myelin membrane encephalitogenic " 100.00 304 100.00 100.00 3.95e-01 SP P02687 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=20 kDa microtubule-stabilizing protein; AltName: Full=Myelin A1 pr" 100.00 169 100.00 100.00 3.46e-01 SP P02688 "RecName: Full=Myelin basic protein; Short=MBP [Rattus norvegicus]" 100.00 195 100.00 100.00 4.54e-01 SP P06906 "RecName: Full=Myelin basic protein; Short=MBP [Pan troglodytes]" 100.00 171 100.00 100.00 3.76e-01 SP P25188 "RecName: Full=Myelin basic protein; Short=MBP [Cavia porcellus]" 100.00 167 100.00 100.00 3.28e-01 TPG DAA16031 "TPA: myelin basic protein [Bos taurus]" 100.00 329 100.00 100.00 5.42e-01 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $myelin_basic_protein rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus muscle 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 $myelin_basic_protein '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 2.28 . na temperature 298 . 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 'myelin basic protein' _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 PHE HA H 4.302 . 1 2 . 1 PHE HB2 H 3.22 . 2 3 . 1 PHE HB3 H 3.198 . 2 4 . 1 PHE HD1 H 7.263 . 1 5 . 1 PHE HD2 H 7.263 . 1 6 . 1 PHE HE1 H 7.385 . 1 7 . 1 PHE HE2 H 7.385 . 1 8 . 1 PHE HZ H 7.403 . 1 9 . 2 LYS H H 8.509 . 1 10 . 2 LYS HA H 4.36 . 1 11 . 2 LYS HB2 H 1.77 . 2 12 . 2 LYS HB3 H 1.71 . 2 13 . 2 LYS HG2 H 1.396 . 1 14 . 2 LYS HG3 H 1.396 . 1 15 . 2 LYS HD2 H 1.672 . 2 16 . 2 LYS HD3 H 1.61 . 2 17 . 2 LYS HE2 H 2.973 . 1 18 . 2 LYS HE3 H 2.973 . 1 19 . 3 LEU H H 8.449 . 1 20 . 3 LEU HA H 4.342 . 1 21 . 3 LEU HB2 H 1.672 . 2 22 . 3 LEU HB3 H 1.653 . 2 23 . 3 LEU HG H 1.679 . 1 24 . 3 LEU HD1 H .983 . 2 25 . 3 LEU HD2 H .943 . 2 26 . 4 GLY H H 8.518 . 1 27 . 4 GLY HA2 H 3.983 . 1 28 . 4 GLY HA3 H 3.983 . 1 29 . 5 GLY H H 8.3 . 1 30 . 5 GLY HA2 H 4.002 . 2 31 . 5 GLY HA3 H 3.944 . 2 32 . 6 ARG H H 8.342 . 1 33 . 6 ARG HA H 4.32 . 1 34 . 6 ARG HB2 H 1.85 . 2 35 . 6 ARG HB3 H 1.78 . 2 36 . 6 ARG HG2 H 1.686 . 2 37 . 6 ARG HG3 H 1.671 . 2 38 . 6 ARG HD2 H 3.2 . 1 39 . 6 ARG HD3 H 3.2 . 1 40 . 6 ARG HE H 7.176 . 1 41 . 7 ASP H H 8.588 . 1 42 . 7 ASP HA H 4.655 . 1 43 . 7 ASP HB2 H 2.969 . 2 44 . 7 ASP HB3 H 2.835 . 2 45 . 8 SER H H 8.316 . 1 46 . 8 SER HA H 4.444 . 1 47 . 8 SER HB2 H 3.881 . 2 48 . 8 SER HB3 H 3.847 . 2 49 . 9 ARG H H 8.381 . 1 50 . 9 ARG HA H 4.4 . 1 51 . 9 ARG HB2 H 1.82 . 2 52 . 9 ARG HB3 H 1.77 . 2 53 . 9 ARG HG2 H 1.648 . 1 54 . 9 ARG HG3 H 1.648 . 1 55 . 9 ARG HD2 H 3.208 . 1 56 . 9 ARG HD3 H 3.208 . 1 57 . 9 ARG HE H 7.716 . 1 58 . 10 SER H H 8.262 . 1 59 . 10 SER HA H 4.438 . 1 60 . 10 SER HB2 H 3.881 . 2 61 . 10 SER HB3 H 3.848 . 2 62 . 11 GLY H H 8.419 . 1 63 . 11 GLY HA2 H 4.013 . 2 64 . 11 GLY HA3 H 3.991 . 2 65 . 12 SER H H 8.221 . 1 66 . 12 SER HA H 4.785 . 1 67 . 12 SER HB2 H 3.872 . 2 68 . 12 SER HB3 H 3.84 . 2 69 . 13 PRO HA H 4.463 . 1 70 . 13 PRO HB2 H 2.301 . 2 71 . 13 PRO HB3 H 1.938 . 2 72 . 13 PRO HG2 H 2.03 . 1 73 . 13 PRO HG3 H 2.03 . 1 74 . 13 PRO HD2 H 3.847 . 2 75 . 13 PRO HD3 H 3.734 . 2 76 . 14 MET H H 8.359 . 1 77 . 14 MET HA H 4.42 . 1 78 . 14 MET HB2 H 2.074 . 2 79 . 14 MET HB3 H 1.955 . 2 80 . 14 MET HG2 H 2.616 . 2 81 . 14 MET HG3 H 2.572 . 2 82 . 14 MET HE H 2.112 . 1 83 . 15 ALA H H 8.225 . 1 84 . 15 ALA HA H 4.31 . 1 85 . 15 ALA HB H 1.395 . 1 86 . 16 ARG H H 8.446 . 1 87 . 16 ARG HA H 4.332 . 1 88 . 16 ARG HB2 H 1.76 . 2 89 . 16 ARG HB3 H 1.7 . 2 90 . 16 ARG HG2 H 1.686 . 2 91 . 16 ARG HG3 H 1.671 . 2 92 . 16 ARG HD2 H 3.218 . 1 93 . 16 ARG HD3 H 3.218 . 1 94 . 16 ARG HE H 7.176 . 1 95 . 17 ARG H H 8.277 . 1 96 . 17 ARG HA H 4.377 . 1 97 . 17 ARG HB2 H 1.78 . 2 98 . 17 ARG HB3 H 1.69 . 2 99 . 17 ARG HG2 H 1.686 . 2 100 . 17 ARG HG3 H 1.671 . 2 101 . 17 ARG HD2 H 3.218 . 1 102 . 17 ARG HD3 H 3.218 . 1 103 . 17 ARG HE H 7.176 . 1 stop_ save_