data_5197 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 13CA chemical shift assignments of the polypeptide mPrP(143-158) ; _BMRB_accession_number 5197 _BMRB_flat_file_name bmr5197.str _Entry_type original _Submission_date 2001-10-29 _Accession_date 2001-11-01 _Entry_origination author _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 Liu Aizhuo . . 2 Riek Roland . . 3 Zahn Ralph . . 4 Glockshuber Rudolf . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 8 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 604 "13C chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-12 original author . stop_ _Original_release_date 2001-11-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Helix protensity of a polypeptide containing helix 1 of the mouse prion protein studied by NMR and CD spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10397798 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Aizhuo . . 2 Riek Roland . . 3 Zahn Ralph . . 4 Glockshuber Rudolf . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation Biopolymers _Journal_volume 51 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 145 _Page_last 152 _Year 1999 _Details . loop_ _Keyword 'transmissible spongiform encephalopathies' 'protein-only hypothesis' 'polypeptides in neurodegenerative disease' 'NMR structure determination' 'helix propensity of a prion protein fragment' stop_ save_ ################################## # Molecular system description # ################################## save_system_mPrP _Saveframe_category molecular_system _Mol_system_name 'mouse prion protein' _Abbreviation_common mPrP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse prion protein, trans conformer' $mPrP 'mouse prion protein, cis conformer' $mPrP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; Polypeptide mPrP(143-158) contains the segment of helix 1 of mouse prion protein. This helix has been implicated in various stages of hypothetical pathways to prion pathology based on the protein-only idea, including functions as a binding site for PrPSc in infectious prion diseases, and as part of the peptide sequence involved in the conformation change leading from PrPC to PrPSc. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPrP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP(143-158) _Abbreviation_common mPrP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence NDWEDRYYRENMYRYP loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 143 ASN 2 144 ASP 3 145 TRP 4 146 GLU 5 147 ASP 6 148 ARG 7 149 TYR 8 150 TYR 9 151 ARG 10 152 GLU 11 153 ASN 12 154 MET 13 155 TYR 14 156 ARG 15 157 TYR 16 158 PRO 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 15845 Prion_Protein 100.00 114 100.00 100.00 1.75e-02 BMRB 16071 mPrP90 100.00 144 100.00 100.00 1.63e-02 BMRB 16075 mPrP90_M129V 100.00 141 100.00 100.00 1.61e-02 BMRB 16076 mPrP90_P102L 100.00 141 100.00 100.00 1.54e-02 BMRB 16077 mPrP90_P105L 100.00 141 100.00 100.00 1.54e-02 BMRB 16078 mPrP90_A117V 100.00 142 100.00 100.00 1.67e-02 BMRB 16079 mPrP90_3AV 100.00 142 100.00 100.00 1.69e-02 BMRB 16080 mPrP90_2II 100.00 142 100.00 100.00 1.69e-02 BMRB 16184 mpp_121-231 100.00 114 100.00 100.00 1.22e-02 BMRB 16185 mpp_121-231 100.00 114 100.00 100.00 1.60e-02 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 100.00 113 100.00 100.00 1.45e-02 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 100.00 113 100.00 100.00 1.40e-02 BMRB 17081 "Prion with Y169G mutation" 100.00 114 100.00 100.00 1.42e-02 BMRB 17082 entity 100.00 114 100.00 100.00 1.51e-02 BMRB 17084 prion 100.00 114 100.00 100.00 1.57e-02 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 100.00 100.00 1.05e-02 BMRB 17174 Mouse_prion 100.00 114 100.00 100.00 1.57e-02 BMRB 17213 entity 100.00 114 100.00 100.00 1.39e-02 BMRB 17758 mPrP(121-232) 100.00 114 100.00 100.00 1.57e-02 BMRB 17759 mPrP(121-232) 100.00 114 100.00 100.00 1.51e-02 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 100.00 103 100.00 100.00 1.70e-02 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 100.00 112 100.00 100.00 1.71e-02 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 100.00 112 100.00 100.00 1.61e-02 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 100.00 112 100.00 100.00 1.71e-02 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 100.00 100.00 1.75e-02 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 100.00 100.00 1.22e-02 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 100.00 100.00 1.60e-02 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 100.00 113 100.00 100.00 1.45e-02 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 100.00 113 100.00 100.00 1.40e-02 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 100.00 100.00 1.42e-02 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 100.00 100.00 1.51e-02 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 100.00 100.00 1.57e-02 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 100.00 100.00 1.05e-02 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 100.00 100.00 1.57e-02 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 100.00 100.00 1.39e-02 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 100.00 111 100.00 100.00 1.84e-02 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 100.00 114 100.00 100.00 1.62e-02 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 100.00 114 100.00 100.00 1.62e-02 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 100.00 100.00 7.20e-03 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 1.21e-02 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 1.06e-02 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 1.21e-02 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 100.00 100.00 1.43e-02 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 100.00 100.00 1.19e-02 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 100.00 100.00 1.08e-02 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 100.00 100.00 1.19e-02 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 100.00 100.00 1.21e-02 GB AAA39999 "prion protein PrP27-30, partial [Mus musculus]" 100.00 79 100.00 100.00 1.57e-02 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 100.00 100.00 1.15e-02 PRF 1106228A "scrapie prion protein" 100.00 78 100.00 100.00 1.61e-02 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 100.00 100.00 1.19e-02 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 100.00 100.00 1.19e-02 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 100.00 100.00 7.20e-03 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 100.00 100.00 7.20e-03 SP P04925 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 254 100.00 100.00 1.19e-02 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Rattus norvegicus]" 100.00 254 100.00 100.00 7.20e-03 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Sigmodon hispidus]" 100.00 254 100.00 100.00 1.21e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mPrP Mouse 10090 Eukaryota Metazoa Mus musculus 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 $mPrP 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mPrP 1.0 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mPrP 1.0 mM . H2O 90 % . TFE 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mPrP 1.0 mM . H2O 75 % . TFE 25 % [U-2H] stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mPrP 1.0 mM . H2O 50 % . TFE 50 % [U-2H] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 400 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . n/a temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, trans conformer' _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 ASN CA C 52.3 . 1 2 . 1 ASN HA H 4.46 . 1 3 . 1 ASN HB2 H 3.08 . 2 4 . 1 ASN HB3 H 3.02 . 2 5 . 1 ASN HD21 H 7.84 . 2 6 . 1 ASN HD22 H 7.14 . 2 7 . 2 ASP H H 9.02 . 1 8 . 2 ASP CA C 55.2 . 1 9 . 2 ASP HA H 4.74 . 1 10 . 2 ASP HB2 H 2.85 . 1 11 . 2 ASP HB3 H 2.85 . 1 12 . 3 TRP H H 8.38 . 1 13 . 3 TRP CA C 58.9 . 1 14 . 3 TRP HA H 4.61 . 1 15 . 3 TRP HB2 H 3.46 . 1 16 . 3 TRP HB3 H 3.46 . 1 17 . 3 TRP HD1 H 7.41 . 1 18 . 3 TRP HE3 H 7.68 . 1 19 . 3 TRP HE1 H 10.30 . 1 20 . 3 TRP HZ3 H 7.21 . 1 21 . 3 TRP HZ2 H 7.58 . 1 22 . 3 TRP HH2 H 7.30 . 1 23 . 4 GLU H H 8.30 . 1 24 . 4 GLU CA C 57.5 . 1 25 . 4 GLU HA H 4.15 . 1 26 . 4 GLU HB2 H 2.15 . 2 27 . 4 GLU HB3 H 2.06 . 2 28 . 4 GLU HG2 H 2.34 . 1 29 . 4 GLU HG3 H 2.34 . 1 30 . 5 ASP H H 8.30 . 1 31 . 5 ASP CA C 55.2 . 1 32 . 5 ASP HA H 4.66 . 1 33 . 5 ASP HB2 H 2.92 . 1 34 . 5 ASP HB3 H 2.92 . 1 35 . 6 ARG H H 8.19 . 1 36 . 6 ARG CA C 57.8 . 1 37 . 6 ARG HA H 4.20 . 1 38 . 6 ARG HB2 H 1.83 . 1 39 . 6 ARG HB3 H 1.83 . 1 40 . 6 ARG HG2 H 1.54 . 1 41 . 6 ARG HG3 H 1.54 . 1 42 . 6 ARG HD2 H 3.17 . 1 43 . 6 ARG HD3 H 3.17 . 1 44 . 6 ARG HE H 7.33 . 1 45 . 7 TYR H H 8.24 . 1 46 . 7 TYR CA C 59.2 . 1 47 . 7 TYR HA H 4.46 . 1 48 . 7 TYR HB2 H 2.87 . 2 49 . 7 TYR HB3 H 3.09 . 2 50 . 7 TYR HD1 H 7.07 . 1 51 . 7 TYR HD2 H 7.07 . 1 52 . 7 TYR HE1 H 6.92 . 1 53 . 7 TYR HE2 H 6.92 . 1 54 . 8 TYR H H 8.20 . 1 55 . 8 TYR CA C 59.3 . 1 56 . 8 TYR HA H 4.51 . 1 57 . 8 TYR HB2 H 3.21 . 1 58 . 8 TYR HB3 H 3.21 . 1 59 . 8 TYR HD1 H 7.26 . 1 60 . 8 TYR HD2 H 7.26 . 1 61 . 8 TYR HE1 H 6.98 . 1 62 . 8 TYR HE2 H 6.98 . 1 63 . 9 ARG H H 8.17 . 1 64 . 9 ARG CA C 57.2 . 1 65 . 9 ARG HA H 4.26 . 1 66 . 9 ARG HB2 H 1.97 . 1 67 . 9 ARG HB3 H 1.97 . 1 68 . 9 ARG HG2 H 1.80 . 2 69 . 9 ARG HG3 H 1.74 . 2 70 . 9 ARG HD2 H 3.33 . 1 71 . 9 ARG HD3 H 3.33 . 1 72 . 9 ARG HE H 7.46 . 1 73 . 10 GLU H H 8.38 . 1 74 . 10 GLU CA C 57.1 . 1 75 . 10 GLU HA H 4.30 . 1 76 . 10 GLU HB2 H 2.20 . 2 77 . 10 GLU HB3 H 2.13 . 2 78 . 10 GLU HG2 H 2.54 . 2 79 . 10 GLU HG3 H 2.49 . 2 80 . 11 ASN H H 8.27 . 1 81 . 11 ASN CA C 53.7 . 1 82 . 11 ASN HA H 4.76 . 1 83 . 11 ASN HB2 H 2.76 . 2 84 . 11 ASN HB3 H 2.87 . 2 85 . 11 ASN HD21 H 7.56 . 2 86 . 11 ASN HD22 H 7.01 . 2 87 . 12 MET H H 8.16 . 1 88 . 12 MET CA C 56.2 . 1 89 . 12 MET HA H 4.41 . 1 90 . 12 MET HB2 H 2.04 . 1 91 . 12 MET HB3 H 2.04 . 1 92 . 12 MET HG2 H 2.46 . 1 93 . 12 MET HG3 H 2.46 . 1 94 . 13 TYR H H 8.19 . 1 95 . 13 TYR CA C 57.9 . 1 96 . 13 TYR HA H 4.63 . 1 97 . 13 TYR HB2 H 3.14 . 2 98 . 13 TYR HB3 H 3.07 . 2 99 . 13 TYR HD1 H 7.21 . 1 100 . 13 TYR HD2 H 7.21 . 1 101 . 13 TYR HE1 H 6.94 . 1 102 . 13 TYR HE2 H 6.94 . 1 103 . 14 ARG H H 7.93 . 1 104 . 14 ARG CA C 55.5 . 1 105 . 14 ARG HA H 4.36 . 1 106 . 14 ARG HB2 H 1.74 . 1 107 . 14 ARG HB3 H 1.74 . 1 108 . 14 ARG HG2 H 1.54 . 1 109 . 14 ARG HG3 H 1.54 . 1 110 . 14 ARG HD2 H 3.20 . 1 111 . 14 ARG HD3 H 3.20 . 1 112 . 14 ARG HE H 7.27 . 1 113 . 15 TYR H H 8.34 . 1 114 . 15 TYR CA C 55.5 . 1 115 . 15 TYR HA H 4.92 . 1 116 . 15 TYR HB2 H 3.19 . 2 117 . 15 TYR HB3 H 3.06 . 2 118 . 15 TYR HD1 H 7.34 . 1 119 . 15 TYR HD2 H 7.34 . 1 120 . 15 TYR HE1 H 7.01 . 1 121 . 15 TYR HE2 H 7.01 . 1 122 . 16 PRO CA C 64.0 . 1 123 . 16 PRO HA H 4.52 . 1 124 . 16 PRO HB2 H 2.39 . 2 125 . 16 PRO HB3 H 2.08 . 2 126 . 16 PRO HG2 H 2.12 . 1 127 . 16 PRO HG3 H 2.12 . 1 128 . 16 PRO HD2 H 3.93 . 2 129 . 16 PRO HD3 H 3.69 . 2 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, cis conformer' _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 . 12 MET H H 8.18 . 1 2 . 12 MET HA H 4.44 . 1 3 . 12 MET HB2 H 2.04 . 1 4 . 12 MET HB3 H 2.04 . 1 5 . 12 MET HG2 H 2.47 . 1 6 . 12 MET HG3 H 2.47 . 1 7 . 13 TYR H H 8.23 . 1 8 . 13 TYR HA H 4.70 . 1 9 . 13 TYR HB2 H 3.20 . 2 10 . 13 TYR HB3 H 3.11 . 2 11 . 13 TYR HD1 H 7.22 . 1 12 . 13 TYR HD2 H 7.22 . 1 13 . 13 TYR HE1 H 6.95 . 1 14 . 13 TYR HE2 H 6.95 . 1 15 . 14 ARG H H 8.04 . 1 16 . 14 ARG HA H 4.42 . 1 17 . 14 ARG HB2 H 1.80 . 1 18 . 14 ARG HB3 H 1.80 . 1 19 . 14 ARG HG2 H 1.62 . 1 20 . 14 ARG HG3 H 1.62 . 1 21 . 14 ARG HD2 H 3.28 . 1 22 . 14 ARG HD3 H 3.28 . 1 23 . 14 ARG HE H 7.31 . 1 24 . 15 TYR H H 8.40 . 1 25 . 15 TYR HA H 4.65 . 1 26 . 15 TYR HB2 H 3.06 . 2 27 . 15 TYR HB3 H 3.04 . 2 28 . 15 TYR HD1 H 7.29 . 1 29 . 15 TYR HD2 H 7.29 . 1 30 . 15 TYR HE1 H 7.03 . 1 31 . 15 TYR HE2 H 7.03 . 1 32 . 16 PRO HA H 3.91 . 1 33 . 16 PRO HB2 H 2.09 . 2 34 . 16 PRO HB3 H 1.84 . 2 35 . 16 PRO HG2 H 1.91 . 1 36 . 16 PRO HG3 H 1.91 . 1 37 . 16 PRO HD2 H 3.66 . 2 38 . 16 PRO HD3 H 3.51 . 2 stop_ save_ save_shift_set_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, trans conformer' _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 ASN CA C 52.3 . 1 2 . 1 ASN HA H 4.47 . 1 3 . 1 ASN HB2 H 3.17 . 2 4 . 1 ASN HB3 H 3.07 . 2 5 . 1 ASN HD21 H 7.87 . 2 6 . 1 ASN HD22 H 7.14 . 2 7 . 2 ASP H H 9.03 . 1 8 . 2 ASP CA C 55.5 . 1 9 . 2 ASP HA H 4.72 . 1 10 . 2 ASP HB2 H 2.85 . 1 11 . 2 ASP HB3 H 2.85 . 1 12 . 3 TRP H H 8.36 . 1 13 . 3 TRP CA C 59.3 . 1 14 . 3 TRP HA H 4.57 . 1 15 . 3 TRP HB2 H 3.49 . 1 16 . 3 TRP HB3 H 3.49 . 1 17 . 3 TRP HD1 H 7.41 . 1 18 . 3 TRP HE3 H 7.68 . 1 19 . 3 TRP HE1 H 10.27 . 1 20 . 3 TRP HZ3 H 7.18 . 1 21 . 3 TRP HZ2 H 7.57 . 1 22 . 3 TRP HH2 H 7.26 . 1 23 . 4 GLU H H 8.32 . 1 24 . 4 GLU CA C 58.0 . 1 25 . 4 GLU HA H 4.10 . 1 26 . 4 GLU HB2 H 2.19 . 2 27 . 4 GLU HB3 H 2.11 . 2 28 . 4 GLU HG2 H 2.38 . 1 29 . 4 GLU HG3 H 2.38 . 1 30 . 5 ASP H H 8.26 . 1 31 . 5 ASP CA C 55.7 . 1 32 . 5 ASP HA H 4.67 . 1 33 . 5 ASP HB2 H 2.94 . 1 34 . 5 ASP HB3 H 2.94 . 1 35 . 6 ARG H H 8.13 . 1 36 . 6 ARG CA C 58.3 . 1 37 . 6 ARG HA H 4.17 . 1 38 . 6 ARG HB2 H 1.87 . 1 39 . 6 ARG HB3 H 1.87 . 1 40 . 6 ARG HG2 H 1.62 . 2 41 . 6 ARG HG3 H 1.56 . 2 42 . 6 ARG HD2 H 3.18 . 1 43 . 6 ARG HD3 H 3.18 . 1 44 . 6 ARG HE H 7.38 . 1 45 . 7 TYR H H 8.24 . 1 46 . 7 TYR CA C 59.8 . 1 47 . 7 TYR HA H 4.37 . 1 48 . 7 TYR HB2 H 2.83 . 2 49 . 7 TYR HB3 H 3.05 . 2 50 . 7 TYR HD1 H 7.03 . 1 51 . 7 TYR HD2 H 7.03 . 1 52 . 7 TYR HE1 H 6.91 . 1 53 . 7 TYR HE2 H 6.91 . 1 54 . 8 TYR H H 8.26 . 1 55 . 8 TYR CA C 59.8 . 1 56 . 8 TYR HA H 4.46 . 1 57 . 8 TYR HB2 H 3.24 . 1 58 . 8 TYR HB3 H 3.24 . 1 59 . 8 TYR HD1 H 7.29 . 1 60 . 8 TYR HD2 H 7.29 . 1 61 . 8 TYR HE1 H 6.99 . 1 62 . 8 TYR HE2 H 6.99 . 1 63 . 9 ARG H H 8.16 . 1 64 . 9 ARG CA C 57.7 . 1 65 . 9 ARG HA H 4.23 . 1 66 . 9 ARG HB2 H 2.02 . 1 67 . 9 ARG HB3 H 2.02 . 1 68 . 9 ARG HG2 H 1.88 . 2 69 . 9 ARG HG3 H 1.77 . 2 70 . 9 ARG HD2 H 3.34 . 1 71 . 9 ARG HD3 H 3.34 . 1 72 . 9 ARG HE H 7.49 . 1 73 . 10 GLU H H 8.35 . 1 74 . 10 GLU CA C 57.2 . 1 75 . 10 GLU HA H 4.31 . 1 76 . 10 GLU HB2 H 2.19 . 1 77 . 10 GLU HB3 H 2.19 . 1 78 . 10 GLU HG2 H 2.57 . 2 79 . 10 GLU HG3 H 2.50 . 2 80 . 11 ASN H H 8.12 . 1 81 . 11 ASN CA C 54.9 . 1 82 . 11 ASN HA H 4.76 . 1 83 . 11 ASN HB2 H 2.70 . 2 84 . 11 ASN HB3 H 2.84 . 2 85 . 11 ASN HD21 H 7.44 . 2 86 . 11 ASN HD22 H 6.89 . 2 87 . 12 MET H H 8.09 . 1 88 . 12 MET CA C 56.5 . 1 89 . 12 MET HA H 4.38 . 1 90 . 12 MET HB2 H 2.03 . 1 91 . 12 MET HB3 H 2.03 . 1 92 . 12 MET HG2 H 2.46 . 1 93 . 12 MET HG3 H 2.46 . 1 94 . 13 TYR H H 8.09 . 1 95 . 13 TYR CA C 57.9 . 1 96 . 13 TYR HA H 4.63 . 1 97 . 13 TYR HB2 H 3.19 . 2 98 . 13 TYR HB3 H 3.08 . 2 99 . 13 TYR HD1 H 7.23 . 1 100 . 13 TYR HD2 H 7.23 . 1 101 . 13 TYR HE1 H 6.96 . 1 102 . 13 TYR HE2 H 6.96 . 1 103 . 14 ARG H H 7.85 . 1 104 . 14 ARG CA C 55.6 . 1 105 . 14 ARG HA H 4.37 . 1 106 . 14 ARG HB2 H 1.77 . 1 107 . 14 ARG HB3 H 1.77 . 1 108 . 14 ARG HG2 H 1.54 . 1 109 . 14 ARG HG3 H 1.54 . 1 110 . 14 ARG HD2 H 3.25 . 1 111 . 14 ARG HD3 H 3.25 . 1 112 . 14 ARG HE H 7.29 . 1 113 . 15 TYR H H 8.24 . 1 114 . 15 TYR CA C 55.5 . 1 115 . 15 TYR HA H 4.93 . 1 116 . 15 TYR HB2 H 3.21 . 2 117 . 15 TYR HB3 H 3.07 . 2 118 . 15 TYR HD1 H 7.34 . 1 119 . 15 TYR HD2 H 7.34 . 1 120 . 15 TYR HE1 H 7.00 . 1 121 . 15 TYR HE2 H 7.00 . 1 122 . 16 PRO CA C 63.1 . 1 123 . 16 PRO HA H 4.51 . 1 124 . 16 PRO HB2 H 2.39 . 2 125 . 16 PRO HB3 H 2.10 . 2 126 . 16 PRO HG2 H 2.12 . 1 127 . 16 PRO HG3 H 2.12 . 1 128 . 16 PRO HD2 H 3.92 . 2 129 . 16 PRO HD3 H 3.66 . 2 stop_ save_ save_shift_set_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, cis conformer' _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 . 12 MET H H 8.11 . 1 2 . 12 MET HA H 4.42 . 1 3 . 12 MET HB2 H 2.03 . 1 4 . 12 MET HB3 H 2.03 . 1 5 . 12 MET HG2 H 2.46 . 1 6 . 12 MET HG3 H 2.46 . 1 7 . 13 TYR H H 8.13 . 1 8 . 13 TYR HA H 4.69 . 1 9 . 13 TYR HB2 H 3.23 . 2 10 . 13 TYR HB3 H 3.11 . 2 11 . 13 TYR HD1 H 7.27 . 1 12 . 13 TYR HD2 H 7.27 . 1 13 . 13 TYR HE1 H 7.00 . 1 14 . 13 TYR HE2 H 7.00 . 1 15 . 14 ARG H H 7.95 . 1 16 . 14 ARG HA H 4.44 . 1 17 . 14 ARG HB2 H 1.83 . 1 18 . 14 ARG HB3 H 1.83 . 1 19 . 14 ARG HG2 H 1.65 . 1 20 . 14 ARG HG3 H 1.65 . 1 21 . 14 ARG HD2 H 3.30 . 1 22 . 14 ARG HD3 H 3.30 . 1 23 . 14 ARG HE H 7.32 . 1 24 . 15 TYR H H 8.31 . 1 25 . 15 TYR HA H 4.67 . 1 26 . 15 TYR HB2 H 3.47 . 2 27 . 15 TYR HB3 H 3.09 . 2 28 . 15 TYR HD1 H 7.28 . 1 29 . 15 TYR HD2 H 7.28 . 1 30 . 15 TYR HE1 H 7.04 . 1 31 . 15 TYR HE2 H 7.04 . 1 32 . 16 PRO HA H 3.88 . 1 33 . 16 PRO HB2 H 2.09 . 2 34 . 16 PRO HB3 H 1.90 . 2 35 . 16 PRO HG2 H 1.88 . 2 36 . 16 PRO HG3 H 1.82 . 2 37 . 16 PRO HD2 H 3.66 . 2 38 . 16 PRO HD3 H 3.52 . 2 stop_ save_ save_shift_set_5 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, trans conformer' _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 ASN CA C 52.5 . 1 2 . 1 ASN HA H 4.51 . 1 3 . 1 ASN HB2 H 3.27 . 2 4 . 1 ASN HB3 H 3.17 . 2 5 . 1 ASN HD21 H 7.92 . 2 6 . 1 ASN HD22 H 7.09 . 2 7 . 2 ASP H H 9.07 . 1 8 . 2 ASP CA C 56.5 . 1 9 . 2 ASP HA H 4.73 . 1 10 . 2 ASP HB2 H 2.88 . 1 11 . 2 ASP HB3 H 2.88 . 1 12 . 3 TRP H H 8.31 . 1 13 . 3 TRP CA C 60.1 . 1 14 . 3 TRP HA H 4.55 . 1 15 . 3 TRP HB2 H 3.52 . 1 16 . 3 TRP HB3 H 3.52 . 1 17 . 3 TRP HD1 H 7.42 . 1 18 . 3 TRP HE3 H 7.69 . 1 19 . 3 TRP HE1 H 10.18 . 1 20 . 3 TRP HZ3 H 7.19 . 1 21 . 3 TRP HZ2 H 7.57 . 1 22 . 3 TRP HH2 H 7.26 . 1 23 . 4 GLU H H 8.34 . 1 24 . 4 GLU CA C 57.8 . 1 25 . 4 GLU HA H 4.07 . 1 26 . 4 GLU HB2 H 2.21 . 1 27 . 4 GLU HB3 H 2.21 . 1 28 . 4 GLU HG2 H 2.44 . 1 29 . 4 GLU HG3 H 2.44 . 1 30 . 5 ASP H H 8.24 . 1 31 . 5 ASP CA C 56.6 . 1 32 . 5 ASP HA H 4.67 . 1 33 . 5 ASP HB2 H 3.02 . 2 34 . 5 ASP HB3 H 2.94 . 2 35 . 6 ARG H H 8.07 . 1 36 . 6 ARG CA C 58.9 . 1 37 . 6 ARG HA H 4.17 . 1 38 . 6 ARG HB2 H 1.97 . 1 39 . 6 ARG HB3 H 1.97 . 1 40 . 6 ARG HG2 H 1.76 . 2 41 . 6 ARG HG3 H 1.65 . 2 42 . 6 ARG HD2 H 3.23 . 1 43 . 6 ARG HD3 H 3.23 . 1 44 . 6 ARG HE H 7.46 . 1 45 . 7 TYR H H 8.32 . 1 46 . 7 TYR CA C 60.9 . 1 47 . 7 TYR HA H 4.28 . 1 48 . 7 TYR HB2 H 2.87 . 2 49 . 7 TYR HB3 H 3.08 . 2 50 . 7 TYR HD1 H 7.03 . 1 51 . 7 TYR HD2 H 7.03 . 1 52 . 7 TYR HE1 H 6.93 . 1 53 . 7 TYR HE2 H 6.93 . 1 54 . 8 TYR H H 8.45 . 1 55 . 8 TYR CA C 60.8 . 1 56 . 8 TYR HA H 4.41 . 1 57 . 8 TYR HB2 H 3.31 . 1 58 . 8 TYR HB3 H 3.31 . 1 59 . 8 TYR HD1 H 7.32 . 1 60 . 8 TYR HD2 H 7.32 . 1 61 . 8 TYR HE1 H 7.01 . 1 62 . 8 TYR HE2 H 7.01 . 1 63 . 9 ARG H H 8.22 . 1 64 . 9 ARG CA C 58.7 . 1 65 . 9 ARG HA H 4.19 . 1 66 . 9 ARG HB2 H 2.08 . 1 67 . 9 ARG HB3 H 2.08 . 1 68 . 9 ARG HG2 H 1.99 . 2 69 . 9 ARG HG3 H 1.84 . 2 70 . 9 ARG HD2 H 3.37 . 1 71 . 9 ARG HD3 H 3.37 . 1 72 . 9 ARG HE H 7.52 . 1 73 . 10 GLU H H 8.38 . 1 74 . 10 GLU CA C 57.9 . 1 75 . 10 GLU HA H 4.31 . 1 76 . 10 GLU HB2 H 2.21 . 1 77 . 10 GLU HB3 H 2.21 . 1 78 . 10 GLU HG2 H 2.62 . 2 79 . 10 GLU HG3 H 2.54 . 2 80 . 11 ASN H H 7.97 . 1 81 . 11 ASN CA C 55.5 . 1 82 . 11 ASN HA H 4.76 . 1 83 . 11 ASN HB2 H 2.67 . 2 84 . 11 ASN HB3 H 2.79 . 2 85 . 11 ASN HD21 H 7.28 . 2 86 . 11 ASN HD22 H 6.62 . 2 87 . 12 MET H H 8.06 . 1 88 . 12 MET CA C 57.0 . 1 89 . 12 MET HA H 4.38 . 1 90 . 12 MET HB2 H 2.04 . 1 91 . 12 MET HB3 H 2.04 . 1 92 . 12 MET HG2 H 2.46 . 1 93 . 12 MET HG3 H 2.46 . 1 94 . 13 TYR H H 8.00 . 1 95 . 13 TYR CA C 58.1 . 1 96 . 13 TYR HA H 4.64 . 1 97 . 13 TYR HB2 H 3.12 . 2 98 . 13 TYR HB3 H 3.24 . 2 99 . 13 TYR HD1 H 7.27 . 1 100 . 13 TYR HD2 H 7.27 . 1 101 . 13 TYR HE1 H 6.98 . 1 102 . 13 TYR HE2 H 6.98 . 1 103 . 14 ARG H H 7.76 . 1 104 . 14 ARG CA C 55.8 . 1 105 . 14 ARG HA H 4.38 . 1 106 . 14 ARG HB2 H 1.82 . 1 107 . 14 ARG HB3 H 1.82 . 1 108 . 14 ARG HG2 H 1.57 . 1 109 . 14 ARG HG3 H 1.57 . 1 110 . 14 ARG HD2 H 3.29 . 1 111 . 14 ARG HD3 H 3.29 . 1 112 . 14 ARG HE H 7.31 . 1 113 . 15 TYR H H 8.12 . 1 114 . 15 TYR CA C 55.5 . 1 115 . 15 TYR HA H 5.01 . 1 116 . 15 TYR HB2 H 3.22 . 2 117 . 15 TYR HB3 H 3.12 . 2 118 . 15 TYR HD1 H 7.35 . 1 119 . 15 TYR HD2 H 7.35 . 1 120 . 15 TYR HE1 H 7.01 . 1 121 . 15 TYR HE2 H 7.01 . 1 122 . 16 PRO CA C 63.2 . 1 123 . 16 PRO HA H 4.54 . 1 124 . 16 PRO HB2 H 2.39 . 2 125 . 16 PRO HB3 H 2.10 . 2 126 . 16 PRO HG2 H 2.12 . 1 127 . 16 PRO HG3 H 2.12 . 1 128 . 16 PRO HD2 H 3.94 . 2 129 . 16 PRO HD3 H 3.63 . 2 stop_ save_ save_shift_set_6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, cis conformer' _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 . 12 MET H H 8.07 . 1 2 . 12 MET HA H 4.43 . 1 3 . 12 MET HB2 H 2.04 . 1 4 . 12 MET HB3 H 2.04 . 1 5 . 12 MET HG2 H 2.45 . 1 6 . 12 MET HG3 H 2.45 . 1 7 . 13 TYR H H 8.03 . 1 8 . 13 TYR HA H 4.69 . 1 9 . 13 TYR HB2 H 3.28 . 2 10 . 13 TYR HB3 H 3.15 . 2 11 . 13 TYR HD1 H 7.29 . 1 12 . 13 TYR HD2 H 7.29 . 1 13 . 13 TYR HE1 H 7.01 . 1 14 . 13 TYR HE2 H 7.01 . 1 15 . 14 ARG H H 7.81 . 1 16 . 14 ARG HA H 4.45 . 1 17 . 14 ARG HB2 H 1.87 . 1 18 . 14 ARG HB3 H 1.87 . 1 19 . 14 ARG HG2 H 1.68 . 1 20 . 14 ARG HG3 H 1.68 . 1 21 . 14 ARG HD2 H 3.33 . 1 22 . 14 ARG HD3 H 3.33 . 1 23 . 14 ARG HE H 7.34 . 1 24 . 15 TYR H H 8.17 . 1 25 . 15 TYR HA H 4.69 . 1 26 . 15 TYR HB2 H 3.15 . 2 27 . 15 TYR HB3 H 3.06 . 2 28 . 15 TYR HD1 H 7.30 . 1 29 . 15 TYR HD2 H 7.30 . 1 30 . 15 TYR HE1 H 7.03 . 1 31 . 15 TYR HE2 H 7.03 . 1 32 . 16 PRO HA H 3.85 . 1 33 . 16 PRO HB2 H 2.10 . 2 34 . 16 PRO HB3 H 1.91 . 2 35 . 16 PRO HG2 H 1.88 . 2 36 . 16 PRO HG3 H 1.78 . 2 37 . 16 PRO HD2 H 3.68 . 2 38 . 16 PRO HD3 H 3.53 . 2 stop_ save_ save_shift_set_7 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, trans conformer' _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 ASN CA C 52.6 . 1 2 . 1 ASN HA H 4.52 . 1 3 . 1 ASN HB2 H 3.21 . 2 4 . 1 ASN HB3 H 3.32 . 2 5 . 1 ASN HD21 H 7.89 . 2 6 . 1 ASN HD22 H 6.99 . 2 7 . 2 ASP H H 9.07 . 1 8 . 2 ASP CA C 56.8 . 1 9 . 2 ASP HA H 4.71 . 1 10 . 2 ASP HB2 H 2.89 . 2 11 . 2 ASP HB3 H 2.84 . 2 12 . 3 TRP H H 8.21 . 1 13 . 3 TRP CA C 60.4 . 1 14 . 3 TRP HA H 4.55 . 1 15 . 3 TRP HB2 H 3.53 . 1 16 . 3 TRP HB3 H 3.53 . 1 17 . 3 TRP HD1 H 7.40 . 1 18 . 3 TRP HE3 H 7.71 . 1 19 . 3 TRP HE1 H 9.99 . 1 20 . 3 TRP HZ3 H 7.20 . 1 21 . 3 TRP HZ2 H 7.57 . 1 22 . 3 TRP HH2 H 7.26 . 1 23 . 4 GLU H H 8.34 . 1 24 . 4 GLU CA C 59.1 . 1 25 . 4 GLU HA H 4.08 . 1 26 . 4 GLU HB2 H 2.26 . 1 27 . 4 GLU HB3 H 2.26 . 1 28 . 4 GLU HG2 H 2.48 . 1 29 . 4 GLU HG3 H 2.48 . 1 30 . 5 ASP H H 8.24 . 1 31 . 5 ASP CA C 56.9 . 1 32 . 5 ASP HA H 4.67 . 1 33 . 5 ASP HB2 H 3.04 . 2 34 . 5 ASP HB3 H 2.93 . 2 35 . 6 ARG H H 8.05 . 1 36 . 6 ARG CA C 59.3 . 1 37 . 6 ARG HA H 4.17 . 1 38 . 6 ARG HB2 H 2.03 . 1 39 . 6 ARG HB3 H 2.03 . 1 40 . 6 ARG HG2 H 1.83 . 2 41 . 6 ARG HG3 H 1.70 . 2 42 . 6 ARG HD2 H 3.25 . 1 43 . 6 ARG HD3 H 3.25 . 1 44 . 6 ARG HE H 7.49 . 1 45 . 7 TYR H H 8.34 . 1 46 . 7 TYR CA C 61.3 . 1 47 . 7 TYR HA H 4.25 . 1 48 . 7 TYR HB2 H 2.92 . 2 49 . 7 TYR HB3 H 3.11 . 2 50 . 7 TYR HD1 H 7.03 . 1 51 . 7 TYR HD2 H 7.03 . 1 52 . 7 TYR HE1 H 6.94 . 1 53 . 7 TYR HE2 H 6.94 . 1 54 . 8 TYR H H 8.56 . 1 55 . 8 TYR CA C 61.3 . 1 56 . 8 TYR HA H 4.38 . 1 57 . 8 TYR HB2 H 3.34 . 1 58 . 8 TYR HB3 H 3.34 . 1 59 . 8 TYR HD1 H 7.34 . 1 60 . 8 TYR HD2 H 7.34 . 1 61 . 8 TYR HE1 H 7.03 . 1 62 . 8 TYR HE2 H 7.03 . 1 63 . 9 ARG H H 8.27 . 1 64 . 9 ARG CA C 59.2 . 1 65 . 9 ARG HA H 4.18 . 1 66 . 9 ARG HB2 H 2.11 . 1 67 . 9 ARG HB3 H 2.11 . 1 68 . 9 ARG HG2 H 1.86 . 1 69 . 9 ARG HG3 H 1.86 . 1 70 . 9 ARG HD2 H 3.38 . 1 71 . 9 ARG HD3 H 3.38 . 1 72 . 9 ARG HE H 7.51 . 1 73 . 10 GLU H H 8.43 . 1 74 . 10 GLU CA C 58.1 . 1 75 . 10 GLU HA H 4.30 . 1 76 . 10 GLU HB2 H 2.23 . 1 77 . 10 GLU HB3 H 2.23 . 1 78 . 10 GLU HG2 H 2.66 . 2 79 . 10 GLU HG3 H 2.55 . 2 80 . 11 ASN H H 7.90 . 1 81 . 11 ASN CA C 54.9 . 1 82 . 11 ASN HA H 4.75 . 1 83 . 11 ASN HB2 H 2.66 . 2 84 . 11 ASN HB3 H 2.77 . 2 85 . 11 ASN HD21 H 7.21 . 2 86 . 11 ASN HD22 H 6.40 . 2 87 . 12 MET H H 8.05 . 1 88 . 12 MET CA C 57.3 . 1 89 . 12 MET HA H 4.38 . 1 90 . 12 MET HB2 H 2.06 . 1 91 . 12 MET HB3 H 2.06 . 1 92 . 12 MET HG2 H 2.48 . 1 93 . 12 MET HG3 H 2.48 . 1 94 . 13 TYR H H 7.92 . 1 95 . 13 TYR CA C 58.3 . 1 96 . 13 TYR HA H 4.66 . 1 97 . 13 TYR HB2 H 3.15 . 2 98 . 13 TYR HB3 H 3.28 . 2 99 . 13 TYR HD1 H 7.29 . 1 100 . 13 TYR HD2 H 7.29 . 1 101 . 13 TYR HE1 H 7.00 . 1 102 . 13 TYR HE2 H 7.00 . 1 103 . 14 ARG H H 7.68 . 1 104 . 14 ARG CA C 55.9 . 1 105 . 14 ARG HA H 4.40 . 1 106 . 14 ARG HB2 H 1.85 . 1 107 . 14 ARG HB3 H 1.85 . 1 108 . 14 ARG HG2 H 1.61 . 1 109 . 14 ARG HG3 H 1.61 . 1 110 . 14 ARG HD2 H 3.28 . 1 111 . 14 ARG HD3 H 3.28 . 1 112 . 14 ARG HE H 7.30 . 1 113 . 15 TYR H H 7.99 . 1 114 . 15 TYR CA C 55.6 . 1 115 . 15 TYR HA H 5.00 . 1 116 . 15 TYR HB2 H 3.22 . 2 117 . 15 TYR HB3 H 3.14 . 2 118 . 15 TYR HD1 H 7.36 . 1 119 . 15 TYR HD2 H 7.36 . 1 120 . 15 TYR HE1 H 7.01 . 1 121 . 15 TYR HE2 H 7.01 . 1 122 . 16 PRO CA C 63.3 . 1 123 . 16 PRO HA H 4.54 . 1 124 . 16 PRO HB2 H 2.37 . 2 125 . 16 PRO HB3 H 2.11 . 2 126 . 16 PRO HG2 H 2.12 . 1 127 . 16 PRO HG3 H 2.12 . 1 128 . 16 PRO HD2 H 3.95 . 2 129 . 16 PRO HD3 H 3.61 . 2 stop_ save_ save_shift_set_8 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse prion protein, cis conformer' _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 . 12 MET H H 8.08 . 1 2 . 12 MET HA H 4.43 . 1 3 . 12 MET HB2 H 2.08 . 1 4 . 12 MET HB3 H 2.08 . 1 5 . 12 MET HG2 H 2.49 . 1 6 . 12 MET HG3 H 2.49 . 1 7 . 13 TYR H H 7.96 . 1 8 . 13 TYR HA H 4.67 . 1 9 . 13 TYR HB2 H 3.30 . 2 10 . 13 TYR HB3 H 3.16 . 2 11 . 13 TYR HD1 H 7.30 . 1 12 . 13 TYR HD2 H 7.30 . 1 13 . 13 TYR HE1 H 7.02 . 1 14 . 13 TYR HE2 H 7.02 . 1 15 . 14 ARG H H 7.70 . 1 16 . 14 ARG HA H 4.45 . 1 17 . 14 ARG HB2 H 1.90 . 1 18 . 14 ARG HB3 H 1.90 . 1 19 . 14 ARG HG2 H 1.69 . 1 20 . 14 ARG HG3 H 1.69 . 1 21 . 14 ARG HD2 H 3.34 . 1 22 . 14 ARG HD3 H 3.34 . 1 23 . 14 ARG HE H 7.33 . 1 24 . 15 TYR H H 8.06 . 1 25 . 15 TYR HA H 4.74 . 1 26 . 15 TYR HB2 H 3.16 . 2 27 . 15 TYR HB3 H 3.07 . 2 28 . 15 TYR HD1 H 7.29 . 1 29 . 15 TYR HD2 H 7.29 . 1 30 . 15 TYR HE1 H 7.03 . 1 31 . 15 TYR HE2 H 7.03 . 1 32 . 16 PRO HA H 3.86 . 1 33 . 16 PRO HB2 H 2.12 . 2 34 . 16 PRO HB3 H 1.91 . 2 35 . 16 PRO HG2 H 1.88 . 2 36 . 16 PRO HG3 H 1.80 . 2 37 . 16 PRO HD2 H 3.69 . 2 38 . 16 PRO HD3 H 3.54 . 2 stop_ save_