data_17758 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 13C Chemical Shift Assignments of murine prion protein (residues 121-232) in its oxidized state ; _BMRB_accession_number 17758 _BMRB_flat_file_name bmr17758.str _Entry_type original _Submission_date 2011-07-05 _Accession_date 2011-07-05 _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 Schwalbe Harald . . 2 Schlepckow Kai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "13C chemical shifts" 283 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17759 'mPrP(121-232) methylated' stop_ _Original_release_date 2011-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The unfolded state of the murine prion protein and properties of single-point mutants related to human prion diseases' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20541558 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gerum Christian . . 2 Schlepckow Kai . . 3 Schwalbe Harald . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 401 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7 _Page_last 12 _Year 2010 _Details . loop_ _Keyword 'prion protein' 'unfolded state' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'murine prion protein (residues 121-232)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'murine prion protein (residues 121-232)' $mPrP(121-232) stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPrP(121-232) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP(121-232) _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMYRYP NQVYYRPVDQYSNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYDGRRSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 121 VAL 4 122 VAL 5 123 GLY 6 124 GLY 7 125 LEU 8 126 GLY 9 127 GLY 10 128 TYR 11 129 MET 12 130 LEU 13 131 GLY 14 132 SER 15 133 ALA 16 134 MET 17 135 SER 18 136 ARG 19 137 PRO 20 138 MET 21 139 ILE 22 140 HIS 23 141 PHE 24 142 GLY 25 143 ASN 26 144 ASP 27 145 TRP 28 146 GLU 29 147 ASP 30 148 ARG 31 149 TYR 32 150 TYR 33 151 ARG 34 152 GLU 35 153 ASN 36 154 MET 37 155 TYR 38 156 ARG 39 157 TYR 40 158 PRO 41 159 ASN 42 160 GLN 43 161 VAL 44 162 TYR 45 163 TYR 46 164 ARG 47 165 PRO 48 166 VAL 49 167 ASP 50 168 GLN 51 169 TYR 52 170 SER 53 171 ASN 54 172 GLN 55 173 ASN 56 174 ASN 57 175 PHE 58 176 VAL 59 177 HIS 60 178 ASP 61 179 CYS 62 180 VAL 63 181 ASN 64 182 ILE 65 183 THR 66 184 ILE 67 185 LYS 68 186 GLN 69 187 HIS 70 188 THR 71 189 VAL 72 190 THR 73 191 THR 74 192 THR 75 193 THR 76 194 LYS 77 195 GLY 78 196 GLU 79 197 ASN 80 198 PHE 81 199 THR 82 200 GLU 83 201 THR 84 202 ASP 85 203 VAL 86 204 LYS 87 205 MET 88 206 MET 89 207 GLU 90 208 ARG 91 209 VAL 92 210 VAL 93 211 GLU 94 212 GLN 95 213 MET 96 214 CYS 97 215 VAL 98 216 THR 99 217 GLN 100 218 TYR 101 219 GLN 102 220 LYS 103 221 GLU 104 222 SER 105 223 GLN 106 224 ALA 107 225 TYR 108 226 TYR 109 227 ASP 110 228 GLY 111 229 ARG 112 230 ARG 113 231 SER 114 232 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 99.12 100.00 3.41e-78 BMRB 16071 mPrP90 99.12 144 99.12 100.00 4.91e-78 BMRB 16075 mPrP90_M129V 99.12 141 98.23 100.00 2.19e-77 BMRB 16076 mPrP90_P102L 99.12 141 99.12 100.00 3.51e-78 BMRB 16077 mPrP90_P105L 99.12 141 99.12 100.00 3.51e-78 BMRB 16078 mPrP90_A117V 99.12 142 99.12 100.00 6.32e-78 BMRB 16079 mPrP90_3AV 99.12 142 99.12 100.00 1.16e-77 BMRB 16080 mPrP90_2II 99.12 142 99.12 100.00 5.54e-78 BMRB 16184 mpp_121-231 100.00 114 98.25 98.25 4.53e-77 BMRB 16185 mpp_121-231 100.00 114 99.12 99.12 2.32e-78 BMRB 16722 "mouse prion protein double mutant D167S, N173K" 99.12 113 99.12 99.12 3.27e-77 BMRB 16723 "mouse prion protein double mutant D167S, N173K" 99.12 113 98.23 98.23 1.98e-76 BMRB 17081 "Prion with Y169G mutation" 100.00 114 99.12 99.12 1.59e-77 BMRB 17082 mPrP121-231_F175A 100.00 114 99.12 99.12 9.93e-78 BMRB 17084 prion 100.00 114 100.00 100.00 7.07e-79 BMRB 17087 "Prion with Y169A, Y225A, Y226A mutation" 100.00 114 97.37 97.37 2.93e-76 BMRB 17174 Mouse_prion 100.00 114 100.00 100.00 7.07e-79 BMRB 17213 entity 100.00 114 99.12 99.12 5.39e-78 BMRB 17759 mPrP(121-232) 100.00 114 98.25 98.25 4.34e-76 PDB 1AG2 "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" 89.47 103 100.00 100.00 8.47e-70 PDB 1XYX "Mouse Prion Protein Fragment 121-231" 98.25 112 100.00 100.00 2.84e-77 PDB 1Y15 "Mouse Prion Protein With Mutation N174t" 98.25 112 99.11 99.11 1.80e-76 PDB 1Y16 "Mouse Prion Protein With Mutations S170n And N174t" 98.25 112 98.21 99.11 8.10e-76 PDB 2K5O "Mouse Prion Protein (121-231) With Mutation S170n" 100.00 114 99.12 100.00 3.41e-78 PDB 2KFM "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" 100.00 114 98.25 98.25 4.53e-77 PDB 2KFO "Mouse Prion Protein (121-231) With Mutation V166a" 100.00 114 99.12 99.12 2.32e-78 PDB 2KU5 "Mouse Prion Protein (121-231) With Mutation D167s" 99.12 113 99.12 99.12 3.27e-77 PDB 2KU6 "Mouse Prion Protein (121-231) With Mutations D167s And N173k" 99.12 113 98.23 98.23 1.98e-76 PDB 2L1D "Mouse Prion Protein (121-231) Containing The Substitution Y169g" 100.00 114 99.12 99.12 1.59e-77 PDB 2L1E "Mouse Prion Protein (121-231) Containing The Substitution F175a" 100.00 114 99.12 99.12 9.93e-78 PDB 2L1H "Mouse Prion Protein Fragment 121-231 At 20 C" 100.00 114 100.00 100.00 7.07e-79 PDB 2L1K "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" 100.00 114 97.37 97.37 2.93e-76 PDB 2L39 "Mouse Prion Protein Fragment 121-231 At 37 C" 100.00 114 100.00 100.00 7.07e-79 PDB 2L40 "Mouse Prion Protein (121-231) Containing The Substitution Y169a" 100.00 114 99.12 99.12 5.39e-78 PDB 4H88 "Structure Of Pom1 Fab Fragment Complexed With Mouse Prpc Fragment 120- 230" 97.37 111 99.10 99.10 6.17e-76 PDB 4MA7 "Crystal Structure Of Mouse Prion Protein Complexed With Promazine" 98.25 114 99.11 100.00 2.48e-77 PDB 4MA8 "Crystal Structure Of Mouse Prion Protein Complexed With Chlorpromazine" 98.25 114 99.11 100.00 2.48e-77 DBJ BAA08790 "prion protein [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 DBJ BAE28320 "unnamed protein product [Mus musculus]" 100.00 254 98.25 100.00 2.69e-77 DBJ BAE28693 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 7.47e-77 DBJ BAE29994 "unnamed protein product [Mus musculus]" 100.00 254 98.25 99.12 1.06e-76 DBJ BAE34221 "unnamed protein product [Mus musculus]" 100.00 254 99.12 100.00 1.45e-77 EMBL CAJ18553 "Prnp [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 GB AAA39996 "prion protein [Mus musculus]" 100.00 254 98.25 100.00 6.70e-77 GB AAA39997 "prion protein [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 GB AAA39998 "prion protein [Mus musculus]" 100.00 254 98.25 99.12 7.97e-77 GB AAA41947 "prion-related protein, partial [Rattus norvegicus]" 100.00 226 98.25 100.00 8.04e-78 GB AAB30728 "prion protein [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF NP_001265185 "major prion protein precursor [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 REF NP_035300 "major prion protein precursor [Mus musculus]" 100.00 254 99.12 100.00 1.46e-77 REF NP_036763 "major prion protein precursor [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF XP_006235124 "PREDICTED: major prion protein isoform X1 [Rattus norvegicus]" 100.00 254 98.25 100.00 3.27e-77 REF XP_006984054 "PREDICTED: major prion protein [Peromyscus maniculatus bairdii]" 100.00 254 97.37 99.12 7.90e-76 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 99.12 100.00 1.46e-77 SP P13852 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 98.25 100.00 3.27e-77 SP Q9Z0T3 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" 100.00 254 98.25 100.00 5.57e-77 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(121-232) 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(121-232) 'recombinant technology' . Escherichia coli . 'pRSET A' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '8M urea pH 2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $mPrP(121-232) . mM 0.2 0.5 '[U-13C; U-15N]' TSP 1 mM . . 'natural abundance' urea 8 M . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 2.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shift referencing was done using TSP as DSS caused aggregation of hPrP(121-230).' 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144954 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CA)CO' '3D HNN' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'murine prion protein (residues 121-232)' _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 1 121 3 VAL H H 8.365 0.05 1 2 121 3 VAL C C 176.17 0.2 1 3 121 3 VAL CA C 62.483 0.2 1 4 121 3 VAL CB C 32.836 0.2 1 5 122 4 VAL H H 8.293 0.05 1 6 122 4 VAL C C 176.512 0.2 1 7 122 4 VAL CA C 62.542 0.2 1 8 122 4 VAL CB C 32.805 0.2 1 9 123 5 GLY H H 8.461 0.05 1 10 123 5 GLY C C 174.378 0.2 1 11 123 5 GLY CA C 45.218 0.2 1 12 124 6 GLY H H 8.239 0.05 1 13 124 6 GLY C C 174.184 0.2 1 14 124 6 GLY CA C 45.257 0.2 1 15 125 7 LEU H H 8.278 0.05 1 16 125 7 LEU C C 177.937 0.2 1 17 125 7 LEU CA C 55.407 0.2 1 18 125 7 LEU CB C 42.486 0.2 1 19 126 8 GLY H H 8.46 0.05 1 20 126 8 GLY C C 174.427 0.2 1 21 126 8 GLY CA C 45.377 0.2 1 22 127 9 GLY H H 8.212 0.05 1 23 127 9 GLY C C 173.804 0.2 1 24 127 9 GLY CA C 45.291 0.2 1 25 128 10 TYR H H 8.092 0.05 1 26 128 10 TYR C C 175.698 0.2 1 27 128 10 TYR CA C 58.004 0.2 1 28 128 10 TYR CB C 38.955 0.2 1 29 129 11 MET H H 8.396 0.05 1 30 129 11 MET C C 175.782 0.2 1 31 129 11 MET CA C 55.474 0.2 1 32 129 11 MET CB C 32.927 0.2 1 33 130 12 LEU H H 8.258 0.05 1 34 130 12 LEU C C 177.735 0.2 1 35 130 12 LEU CA C 55.474 0.2 1 36 130 12 LEU CB C 42.429 0.2 1 37 131 13 GLY H H 8.433 0.05 1 38 131 13 GLY C C 174.109 0.2 1 39 131 13 GLY CA C 45.311 0.2 1 40 132 14 SER H H 8.226 0.05 1 41 132 14 SER C C 174.564 0.2 1 42 132 14 SER CA C 58.393 0.2 1 43 132 14 SER CB C 64.222 0.2 1 44 133 15 ALA H H 8.446 0.05 1 45 133 15 ALA C C 177.671 0.2 1 46 133 15 ALA CA C 52.88 0.2 1 47 133 15 ALA CB C 19.163 0.2 1 48 134 16 MET H H 8.277 0.05 1 49 134 16 MET C C 176.213 0.2 1 50 134 16 MET CA C 55.608 0.2 1 51 134 16 MET CB C 33.084 0.2 1 52 135 17 SER H H 8.267 0.05 1 53 135 17 SER C C 174.032 0.2 1 54 135 17 SER CA C 58.353 0.2 1 55 135 17 SER CB C 64.065 0.2 1 56 136 18 ARG H H 8.37 0.05 1 57 136 18 ARG C C 173.961 0.2 1 58 136 18 ARG CA C 54.193 0.2 1 59 136 18 ARG CB C 30.38 0.2 1 60 137 19 PRO CA C 63.183 0.2 1 61 137 19 PRO CB C 32.131 0.2 1 62 138 20 MET H H 8.501 0.05 1 63 138 20 MET C C 175.825 0.2 1 64 138 20 MET CA C 55.543 0.2 1 65 138 20 MET CB C 33.207 0.2 1 66 139 21 ILE H H 8.185 0.05 1 67 139 21 ILE C C 175.55 0.2 1 68 139 21 ILE CA C 60.892 0.2 1 69 139 21 ILE CB C 38.932 0.2 1 70 140 22 HIS H H 8.538 0.05 1 71 140 22 HIS C C 173.779 0.2 1 72 140 22 HIS CA C 54.712 0.2 1 73 140 22 HIS CB C 29.173 0.2 1 74 141 23 PHE H H 8.441 0.05 1 75 141 23 PHE C C 175.982 0.2 1 76 141 23 PHE CA C 57.862 0.2 1 77 141 23 PHE CB C 40.034 0.2 1 78 142 24 GLY H H 8.438 0.05 1 79 142 24 GLY C C 173.632 0.2 1 80 142 24 GLY CA C 45.221 0.2 1 81 143 25 ASN H H 8.369 0.05 1 82 143 25 ASN C C 175.238 0.2 1 83 143 25 ASN CA C 53.313 0.2 1 84 143 25 ASN CB C 38.986 0.2 1 85 144 26 ASP CA C 53.211 0.2 1 86 144 26 ASP CB C 37.814 0.2 1 87 145 27 TRP H H 8.063 0.05 1 88 145 27 TRP C C 176.388 0.2 1 89 145 27 TRP CA C 57.902 0.2 1 90 145 27 TRP CB C 29.286 0.2 1 91 146 28 GLU H H 8.035 0.05 1 92 146 28 GLU C C 175.682 0.2 1 93 146 28 GLU CA C 56.369 0.2 1 94 146 28 GLU CB C 28.525 0.2 1 95 147 29 ASP H H 8.202 0.05 1 96 147 29 ASP C C 175.684 0.2 1 97 147 29 ASP CA C 53.164 0.2 1 98 147 29 ASP CB C 37.997 0.2 1 99 148 30 ARG H H 8.116 0.05 1 100 148 30 ARG C C 175.683 0.2 1 101 148 30 ARG CA C 56.678 0.2 1 102 148 30 ARG CB C 30.75 0.2 1 103 149 31 TYR H H 8.061 0.05 1 104 149 31 TYR C C 175.437 0.2 1 105 149 31 TYR CA C 57.916 0.2 1 106 149 31 TYR CB C 38.803 0.2 1 107 150 32 TYR H H 8.064 0.05 1 108 150 32 TYR C C 175.434 0.2 1 109 150 32 TYR CA C 57.955 0.2 1 110 150 32 TYR CB C 38.996 0.2 1 111 151 33 ARG H H 8.247 0.05 1 112 151 33 ARG C C 175.873 0.2 1 113 151 33 ARG CA C 56.1 0.2 1 114 151 33 ARG CB C 30.936 0.2 1 115 152 34 GLU H H 8.321 0.05 1 116 152 34 GLU C C 175.677 0.2 1 117 152 34 GLU CA C 56.023 0.2 1 118 152 34 GLU CB C 28.987 0.2 1 119 153 35 ASN H H 8.529 0.05 1 120 153 35 ASN C C 175.082 0.2 1 121 153 35 ASN CA C 53.383 0.2 1 122 153 35 ASN CB C 38.815 0.2 1 123 154 36 MET H H 8.276 0.05 1 124 154 36 MET C C 175.626 0.2 1 125 154 36 MET CA C 55.887 0.2 1 126 154 36 MET CB C 32.955 0.2 1 127 155 37 TYR H H 8.213 0.05 1 128 155 37 TYR C C 175.303 0.2 1 129 155 37 TYR CA C 57.95 0.2 1 130 155 37 TYR CB C 38.903 0.2 1 131 156 38 ARG H H 8.104 0.05 1 132 156 38 ARG C C 175.293 0.2 1 133 156 38 ARG CA C 55.764 0.2 1 134 156 38 ARG CB C 31.211 0.2 1 135 157 39 TYR H H 8.28 0.05 1 136 157 39 TYR C C 174.263 0.2 1 137 157 39 TYR CA C 56.017 0.2 1 138 157 39 TYR CB C 38.187 0.2 1 139 158 40 PRO C C 176.47 0.2 1 140 158 40 PRO CA C 63.517 0.2 1 141 158 40 PRO CB C 32.084 0.2 1 142 159 41 ASN H H 8.453 0.05 1 143 159 41 ASN C C 175.112 0.2 1 144 159 41 ASN CA C 53.499 0.2 1 145 159 41 ASN CB C 38.832 0.2 1 146 160 42 GLN H H 8.286 0.05 1 147 160 42 GLN C C 175.395 0.2 1 148 160 42 GLN CA C 55.887 0.2 1 149 160 42 GLN CB C 29.749 0.2 1 150 161 43 VAL H H 8.126 0.05 1 151 161 43 VAL C C 175.371 0.2 1 152 161 43 VAL CA C 62.386 0.2 1 153 161 43 VAL CB C 32.901 0.2 1 154 162 44 TYR H H 8.24 0.05 1 155 162 44 TYR C C 175.054 0.2 1 156 162 44 TYR CA C 57.635 0.2 1 157 162 44 TYR CB C 39.249 0.2 1 158 163 45 TYR H H 8.214 0.05 1 159 163 45 TYR C C 174.819 0.2 1 160 163 45 TYR CA C 57.622 0.2 1 161 163 45 TYR CB C 39.232 0.2 1 162 164 46 ARG H H 8.289 0.05 1 163 164 46 ARG C C 173.581 0.2 1 164 164 46 ARG CA C 53.65 0.2 1 165 165 47 PRO CA C 63.033 0.2 1 166 165 47 PRO CB C 32.181 0.2 1 167 166 48 VAL H H 8.248 0.05 1 168 166 48 VAL C C 175.954 0.2 1 169 166 48 VAL CA C 62.459 0.2 1 170 166 48 VAL CB C 32.913 0.2 1 171 167 49 ASP H H 8.544 0.05 1 172 167 49 ASP C C 175.97 0.2 1 173 167 49 ASP CA C 52.853 0.2 1 174 167 49 ASP CB C 38.136 0.2 1 175 168 50 GLN H H 8.407 0.05 1 176 168 50 GLN C C 175.45 0.2 1 177 168 50 GLN CA C 56.184 0.2 1 178 168 50 GLN CB C 29.491 0.2 1 179 169 51 TYR H H 8.187 0.05 1 180 169 51 TYR C C 175.449 0.2 1 181 169 51 TYR CA C 57.858 0.2 1 182 169 51 TYR CB C 38.83 0.2 1 183 170 52 SER H H 8.227 0.05 1 184 170 52 SER C C 174.242 0.2 1 185 170 52 SER CA C 58.134 0.2 1 186 170 52 SER CB C 64.127 0.2 1 187 171 53 ASN H H 8.507 0.05 1 188 171 53 ASN C C 175.293 0.2 1 189 171 53 ASN CA C 53.401 0.2 1 190 171 53 ASN CB C 38.866 0.2 1 191 172 54 GLN H H 8.367 0.05 1 192 172 54 GLN C C 175.682 0.2 1 193 172 54 GLN CA C 56.27 0.2 1 194 172 54 GLN CB C 29.39 0.2 1 195 173 55 ASN H H 8.429 0.05 1 196 173 55 ASN C C 174.83 0.2 1 197 173 55 ASN CA C 53.408 0.2 1 198 173 55 ASN CB C 38.942 0.2 1 199 174 56 ASN H H 8.299 0.05 1 200 174 56 ASN C C 174.76 0.2 1 201 174 56 ASN CA C 53.322 0.2 1 202 174 56 ASN CB C 38.885 0.2 1 203 175 57 PHE H H 8.129 0.05 1 204 175 57 PHE C C 175.524 0.2 1 205 175 57 PHE CA C 57.741 0.2 1 206 175 57 PHE CB C 39.488 0.2 1 207 176 58 VAL H H 8.091 0.05 1 208 176 58 VAL C C 175.703 0.2 1 209 176 58 VAL CA C 62.541 0.2 1 210 176 58 VAL CB C 32.776 0.2 1 211 177 59 HIS H H 8.624 0.05 1 212 177 59 HIS C C 173.987 0.2 1 213 177 59 HIS CA C 55.054 0.2 1 214 177 59 HIS CB C 29.07 0.2 1 215 178 60 ASP H H 8.61 0.05 1 216 178 60 ASP C C 173.981 0.2 1 217 178 60 ASP CA C 53.015 0.2 1 218 178 60 ASP CB C 38.367 0.2 1 219 183 65 THR H H 8.362 0.05 1 220 183 65 THR C C 174.303 0.2 1 221 183 65 THR CA C 62.1 0.2 1 222 183 65 THR CB C 70.003 0.2 1 223 184 66 ILE H H 8.291 0.05 1 224 184 66 ILE C C 176.185 0.2 1 225 184 66 ILE CA C 60.859 0.2 1 226 184 66 ILE CB C 38.85 0.2 1 227 185 67 LYS H H 8.473 0.05 1 228 185 67 LYS C C 176.3 0.2 1 229 185 67 LYS CA C 56.273 0.2 1 230 185 67 LYS CB C 33.122 0.2 1 231 186 68 GLN H H 8.494 0.05 1 232 186 68 GLN C C 175.784 0.2 1 233 186 68 GLN CA C 55.556 0.2 1 234 186 68 GLN CB C 30.494 0.2 1 235 187 69 HIS H H 8.767 0.05 1 236 187 69 HIS C C 174.383 0.2 1 237 188 70 THR H H 8.394 0.05 1 238 188 70 THR C C 174.307 0.2 1 239 188 70 THR CA C 62.018 0.2 1 240 188 70 THR CB C 70.162 0.2 1 241 189 71 VAL H H 8.42 0.05 1 242 189 71 VAL C C 176.132 0.2 1 243 189 71 VAL CA C 62.212 0.2 1 244 189 71 VAL CB C 33.097 0.2 1 245 190 72 THR H H 8.382 0.05 1 246 190 72 THR C C 174.652 0.2 1 247 190 72 THR CA C 61.736 0.2 1 248 190 72 THR CB C 70.045 0.2 1 249 191 73 THR H H 8.296 0.05 1 250 191 73 THR C C 174.633 0.2 1 251 191 73 THR CA C 61.694 0.2 1 252 191 73 THR CB C 70.057 0.2 1 253 192 74 THR H H 8.272 0.05 1 254 192 74 THR C C 174.72 0.2 1 255 192 74 THR CA C 61.669 0.2 1 256 192 74 THR CB C 70.059 0.2 1 257 193 75 THR H H 8.221 0.05 1 258 193 75 THR C C 174.571 0.2 1 259 193 75 THR CA C 61.866 0.2 1 260 193 75 THR CB C 70.006 0.2 1 261 194 76 LYS H H 8.386 0.05 1 262 194 76 LYS C C 176.875 0.2 1 263 194 76 LYS CA C 56.781 0.2 1 264 194 76 LYS CB C 33.112 0.2 1 265 195 77 GLY H H 8.425 0.05 1 266 195 77 GLY C C 173.912 0.2 1 267 195 77 GLY CA C 45.27 0.2 1 268 196 78 GLU H H 8.179 0.05 1 269 196 78 GLU C C 175.514 0.2 1 270 196 78 GLU CA C 55.779 0.2 1 271 196 78 GLU CB C 29.099 0.2 1 272 197 79 ASN H H 8.502 0.05 1 273 197 79 ASN C C 174.865 0.2 1 274 197 79 ASN CA C 53.137 0.2 1 275 197 79 ASN CB C 38.945 0.2 1 276 198 80 PHE H H 8.279 0.05 1 277 198 80 PHE C C 175.8 0.2 1 278 198 80 PHE CA C 57.956 0.2 1 279 198 80 PHE CB C 39.628 0.2 1 280 199 81 THR H H 8.179 0.05 1 281 199 81 THR C C 174.405 0.2 1 282 199 81 THR CA C 62.08 0.2 1 283 199 81 THR CB C 70.067 0.2 1 284 200 82 GLU H H 8.37 0.05 1 285 200 82 GLU C C 175.984 0.2 1 286 200 82 GLU CA C 56.016 0.2 1 287 200 82 GLU CB C 28.871 0.2 1 288 201 83 THR H H 8.193 0.05 1 289 201 83 THR C C 174.25 0.2 1 290 201 83 THR CA C 62.167 0.2 1 291 201 83 THR CB C 69.889 0.2 1 292 202 84 ASP H H 8.459 0.05 1 293 202 84 ASP C C 175.274 0.2 1 294 202 84 ASP CA C 53.088 0.2 1 295 202 84 ASP CB C 37.999 0.2 1 296 203 85 VAL H H 8.042 0.05 1 297 203 85 VAL C C 176.031 0.2 1 298 203 85 VAL CA C 62.78 0.2 1 299 203 85 VAL CB C 32.745 0.2 1 300 204 86 LYS H H 8.341 0.05 1 301 204 86 LYS C C 176.598 0.2 1 302 204 86 LYS CA C 56.651 0.2 1 303 204 86 LYS CB C 32.891 0.2 1 304 205 87 MET CA C 55.699 0.2 1 305 205 87 MET CB C 33.057 0.2 1 306 206 88 MET H H 8.454 0.05 1 307 206 88 MET C C 176.083 0.2 1 308 206 88 MET CA C 55.769 0.2 1 309 206 88 MET CB C 33.071 0.2 1 310 210 92 VAL H H 8.324 0.05 1 311 210 92 VAL C C 175.919 0.2 1 312 210 92 VAL CA C 62.543 0.2 1 313 210 92 VAL CB C 32.837 0.2 1 314 211 93 GLU H H 8.483 0.05 1 315 211 93 GLU C C 175.537 0.2 1 316 211 93 GLU CA C 55.596 0.2 1 317 211 93 GLU CB C 29.302 0.2 1 318 212 94 GLN H H 8.528 0.05 1 319 212 94 GLN C C 175.61 0.2 1 320 212 94 GLN CA C 55.849 0.2 1 321 212 94 GLN CB C 29.873 0.2 1 322 213 95 MET H H 8.59 0.05 1 323 213 95 MET C C 176.036 0.2 1 324 213 95 MET CA C 55.676 0.2 1 325 213 95 MET CB C 33.352 0.2 1 326 214 96 CYS CA C 55.555 0.2 1 327 214 96 CYS CB C 41.947 0.2 1 328 220 102 LYS H H 8.391 0.05 1 329 220 102 LYS C C 176.625 0.2 1 330 220 102 LYS CA C 56.774 0.2 1 331 220 102 LYS CB C 33.089 0.2 1 332 221 103 GLU H H 8.454 0.05 1 333 221 103 GLU C C 176.083 0.2 1 334 221 103 GLU CA C 55.769 0.2 1 335 221 103 GLU CB C 28.998 0.2 1 336 222 104 SER H H 8.41 0.05 1 337 222 104 SER C C 174.567 0.2 1 338 222 104 SER CA C 58.56 0.2 1 339 222 104 SER CB C 64.031 0.2 1 340 223 105 GLN H H 8.466 0.05 1 341 223 105 GLN C C 175.649 0.2 1 342 223 105 GLN CA C 56.153 0.2 1 343 223 105 GLN CB C 29.525 0.2 1 344 224 106 ALA H H 8.239 0.05 1 345 224 106 ALA C C 177.311 0.2 1 346 224 106 ALA CA C 52.763 0.2 1 347 224 106 ALA CB C 19.204 0.2 1 348 225 107 TYR H H 8.065 0.05 1 349 225 107 TYR C C 175.584 0.2 1 350 225 107 TYR CA C 58.118 0.2 1 351 225 107 TYR CB C 39.09 0.2 1 352 226 108 TYR H H 8.172 0.05 1 353 226 108 TYR C C 175.433 0.2 1 354 226 108 TYR CA C 58.054 0.2 1 355 226 108 TYR CB C 39.02 0.2 1 356 227 109 ASP CA C 52.811 0.2 1 357 227 109 ASP CB C 38.194 0.2 1 358 228 110 GLY H H 7.636 0.05 1 359 228 110 GLY C C 173.646 0.2 1 360 228 110 GLY CA C 45.427 0.2 1 361 229 111 ARG H H 8.097 0.05 1 362 229 111 ARG C C 176.323 0.2 1 363 229 111 ARG CA C 56.148 0.2 1 364 229 111 ARG CB C 31.087 0.2 1 365 230 112 ARG H H 8.554 0.05 1 366 230 112 ARG C C 176.334 0.2 1 367 230 112 ARG CA C 56.215 0.2 1 368 230 112 ARG CB C 31.102 0.2 1 369 231 113 SER H H 8.482 0.05 1 370 231 113 SER C C 174.171 0.2 1 371 231 113 SER CA C 58.412 0.2 1 372 231 113 SER CB C 64.162 0.2 1 373 232 114 SER H H 8.37 0.05 1 374 232 114 SER C C 176.394 0.2 1 375 232 114 SER CA C 57.967 0.2 1 376 232 114 SER CB C 64.114 0.2 1 stop_ save_