data_16080 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse prion protein fragment mPrP[K119I,H111I](90-231) at pH 7.0 ; _BMRB_accession_number 16080 _BMRB_flat_file_name bmr16080.str _Entry_type original _Submission_date 2008-12-22 _Accession_date 2008-12-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'triple resonance assignments HN,N,CO,CA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Damberger Fred F. . 2 Wuthrich Kurt . . 3 Hornemann Simone . . 4 'von Schroetter' Christine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 "13C chemical shifts" 270 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-27 update BMRB 'complete entry citation' 2009-06-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16071 mPrP90 16075 'mPrP90 (M129V)' 16076 'mPrP90 (P102L)' 16077 'mPrP90 (P105L)' 16078 'mPrP90 (A117V)' 16079 'mPrP90 (3AV)' stop_ _Original_release_date 2008-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Prion protein-detergent micelle interactions studied by NMR in solution. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19546219 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hornemann Simone . . 2 'von Schroetter' Christine . . 3 Damberger Fred F. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 284 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22713 _Page_last 22721 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mPrP90_3AV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mPrP90_2II $mPrP90_2II stop_ _System_molecular_weight 16145.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPrP90_2II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP90_2II _Molecular_mass 16145.9 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function unknown stop_ _Details 'N-terminal GLY88-SER89 remains after thrombin cleavage' ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GQGGGTHNQWNKPSKPKTNL IIVAGAAAAGAVVGGLGGYM LGSAMSRPMIHFGNDWEDRY YRENMYRYPNQVYYRPVDQY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCVTQYQKESQAYYDGR RS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 GLY 2 91 GLN 3 92 GLY 4 93 GLY 5 94 GLY 6 95 THR 7 96 HIS 8 97 ASN 9 98 GLN 10 99 TRP 11 100 ASN 12 101 LYS 13 102 PRO 14 103 SER 15 104 LYS 16 105 PRO 17 106 LYS 18 107 THR 19 108 ASN 20 109 LEU 21 110 ILE 22 111 ILE 23 112 VAL 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 ALA 29 118 ALA 30 119 GLY 31 120 ALA 32 121 VAL 33 122 VAL 34 123 GLY 35 124 GLY 36 125 LEU 37 126 GLY 38 127 GLY 39 128 TYR 40 129 MET 41 130 LEU 42 131 GLY 43 132 SER 44 133 ALA 45 134 MET 46 135 SER 47 136 ARG 48 137 PRO 49 138 MET 50 139 ILE 51 140 HIS 52 141 PHE 53 142 GLY 54 143 ASN 55 144 ASP 56 145 TRP 57 146 GLU 58 147 ASP 59 148 ARG 60 149 TYR 61 150 TYR 62 151 ARG 63 152 GLU 64 153 ASN 65 154 MET 66 155 TYR 67 156 ARG 68 157 TYR 69 158 PRO 70 159 ASN 71 160 GLN 72 161 VAL 73 162 TYR 74 163 TYR 75 164 ARG 76 165 PRO 77 166 VAL 78 167 ASP 79 168 GLN 80 169 TYR 81 170 SER 82 171 ASN 83 172 GLN 84 173 ASN 85 174 ASN 86 175 PHE 87 176 VAL 88 177 HIS 89 178 ASP 90 179 CYS 91 180 VAL 92 181 ASN 93 182 ILE 94 183 THR 95 184 ILE 96 185 LYS 97 186 GLN 98 187 HIS 99 188 THR 100 189 VAL 101 190 THR 102 191 THR 103 192 THR 104 193 THR 105 194 LYS 106 195 GLY 107 196 GLU 108 197 ASN 109 198 PHE 110 199 THR 111 200 GLU 112 201 THR 113 202 ASP 114 203 VAL 115 204 LYS 116 205 MET 117 206 MET 118 207 GLU 119 208 ARG 120 209 VAL 121 210 VAL 122 211 GLU 123 212 GLN 124 213 MET 125 214 CYS 126 215 VAL 127 216 THR 128 217 GLN 129 218 TYR 130 219 GLN 131 220 LYS 132 221 GLU 133 222 SER 134 223 GLN 135 224 ALA 136 225 TYR 137 226 TYR 138 227 ASP 139 228 GLY 140 229 ARG 141 230 ARG 142 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAA39997 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mPrP90_2II 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 _Variant _Vector_name $mPrP90_2II 'recombinant technology' . Escherichia coli K12 BL21 'pRSET A' 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 $mPrP90_2II 1.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate buffer' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Computer Aided Resonance Assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'TCI (3-channel) cryoprobe with Z-gradients installed' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.03 0.01 M pH 7.0 0.05 pH pressure 1 . atm temperature 293.2 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CA)CO' 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 mPrP90_2II _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 90 1 GLY H H 8.326 0.020 1 2 90 1 GLY C C 174.289 0.3 1 3 90 1 GLY CA C 44.951 0.3 1 4 90 1 GLY N N 109.177 0.3 1 5 91 2 GLN H H 8.365 0.020 1 6 91 2 GLN C C 176.725 0.3 1 7 91 2 GLN CA C 55.563 0.3 1 8 91 2 GLN N N 120.215 0.3 1 9 92 3 GLY H H 8.600 0.020 1 10 92 3 GLY C C 174.788 0.3 1 11 92 3 GLY CA C 45.024 0.3 1 12 92 3 GLY N N 110.726 0.3 1 13 93 4 GLY H H 8.377 0.020 1 14 93 4 GLY C C 174.819 0.3 1 15 93 4 GLY CA C 44.899 0.3 1 16 93 4 GLY N N 109.143 0.3 1 17 94 5 GLY H H 8.381 0.020 1 18 94 5 GLY C C 174.513 0.3 1 19 94 5 GLY CA C 44.788 0.3 1 20 94 5 GLY N N 109.089 0.3 1 21 95 6 THR H H 8.168 0.020 1 22 95 6 THR CA C 61.612 0.3 1 23 95 6 THR N N 113.642 0.3 1 24 97 8 ASN C C 175.257 0.3 1 25 97 8 ASN CA C 52.755 0.3 1 26 98 9 GLN H H 8.374 0.020 1 27 98 9 GLN C C 175.757 0.3 1 28 98 9 GLN CA C 55.750 0.3 1 29 98 9 GLN N N 120.456 0.3 1 30 99 10 TRP H H 8.087 0.020 1 31 99 10 TRP C C 175.875 0.3 1 32 99 10 TRP CA C 56.788 0.3 1 33 99 10 TRP N N 121.222 0.3 1 34 100 11 ASN H H 8.081 0.020 1 35 100 11 ASN C C 174.343 0.3 1 36 100 11 ASN CA C 52.420 0.3 1 37 100 11 ASN N N 120.242 0.3 1 38 101 12 LYS H H 8.026 0.020 1 39 101 12 LYS C C 178.782 0.3 1 40 101 12 LYS CA C 53.844 0.3 1 41 101 12 LYS N N 122.752 0.3 1 42 102 13 PRO C C 176.970 0.3 1 43 102 13 PRO CA C 62.733 0.3 1 44 103 14 SER H H 8.480 0.020 1 45 103 14 SER C C 174.147 0.3 1 46 103 14 SER CA C 57.700 0.3 1 47 103 14 SER N N 117.211 0.3 1 48 104 15 LYS H H 8.369 0.020 1 49 104 15 LYS C C 174.462 0.3 1 50 104 15 LYS CA C 53.825 0.3 1 51 104 15 LYS N N 124.493 0.3 1 52 105 16 PRO C C 176.824 0.3 1 53 105 16 PRO CA C 62.582 0.3 1 54 106 17 LYS H H 8.571 0.020 1 55 106 17 LYS C C 176.804 0.3 1 56 106 17 LYS CA C 56.006 0.3 1 57 106 17 LYS N N 122.432 0.3 1 58 107 18 THR H H 8.173 0.020 1 59 107 18 THR C C 173.951 0.3 1 60 107 18 THR CA C 61.142 0.3 1 61 107 18 THR N N 115.559 0.3 1 62 108 19 ASN H H 8.549 0.020 1 63 108 19 ASN C C 174.697 0.3 1 64 108 19 ASN CA C 52.692 0.3 1 65 108 19 ASN N N 121.547 0.3 1 66 109 20 LEU H H 8.216 0.020 1 67 109 20 LEU C C 176.791 0.3 1 68 109 20 LEU CA C 54.821 0.3 1 69 109 20 LEU N N 123.208 0.3 1 70 110 21 ILE H H 8.211 0.020 1 71 110 21 ILE C C 175.835 0.3 1 72 110 21 ILE CA C 60.543 0.3 1 73 110 21 ILE N N 123.300 0.3 1 74 111 22 ILE H H 8.325 0.020 1 75 111 22 ILE C C 176.058 0.3 1 76 111 22 ILE CA C 60.222 0.3 1 77 111 22 ILE N N 126.934 0.3 1 78 112 23 VAL H H 8.327 0.020 1 79 112 23 VAL C C 175.639 0.3 1 80 112 23 VAL CA C 61.617 0.3 1 81 112 23 VAL N N 126.259 0.3 1 82 113 24 ALA H H 8.494 0.020 1 83 113 24 ALA C C 178.100 0.3 1 84 113 24 ALA CA C 52.297 0.3 1 85 113 24 ALA N N 128.919 0.3 1 86 114 25 GLY H H 8.432 0.020 1 87 114 25 GLY C C 174.003 0.3 1 88 114 25 GLY CA C 44.827 0.3 1 89 114 25 GLY N N 108.976 0.3 1 90 115 26 ALA H H 8.163 0.020 1 91 115 26 ALA C C 177.707 0.3 1 92 115 26 ALA CA C 52.193 0.3 1 93 115 26 ALA N N 124.083 0.3 1 94 116 27 ALA H H 8.328 0.020 1 95 116 27 ALA C C 177.694 0.3 1 96 116 27 ALA CA C 52.103 0.3 1 97 116 27 ALA N N 123.362 0.3 1 98 117 28 ALA H H 8.228 0.020 1 99 117 28 ALA C C 177.629 0.3 1 100 117 28 ALA CA C 52.051 0.3 1 101 117 28 ALA N N 123.536 0.3 1 102 118 29 ALA H H 8.257 0.020 1 103 118 29 ALA C C 178.270 0.3 1 104 118 29 ALA CA C 52.342 0.3 1 105 118 29 ALA N N 123.469 0.3 1 106 119 30 GLY H H 8.324 0.020 1 107 119 30 GLY C C 173.715 0.3 1 108 119 30 GLY CA C 44.786 0.3 1 109 119 30 GLY N N 108.202 0.3 1 110 120 31 ALA H H 8.088 0.020 1 111 120 31 ALA C C 177.602 0.3 1 112 120 31 ALA CA C 51.963 0.3 1 113 120 31 ALA N N 123.814 0.3 1 114 121 32 VAL H H 8.160 0.020 1 115 121 32 VAL C C 176.398 0.3 1 116 121 32 VAL CA C 61.779 0.3 1 117 121 32 VAL N N 119.863 0.3 1 118 122 33 VAL H H 8.317 0.020 1 119 122 33 VAL C C 176.673 0.3 1 120 122 33 VAL CA C 62.141 0.3 1 121 122 33 VAL N N 125.002 0.3 1 122 123 34 GLY H H 8.608 0.020 1 123 123 34 GLY C C 174.723 0.3 1 124 123 34 GLY CA C 45.003 0.3 1 125 123 34 GLY N N 113.641 0.3 1 126 124 35 GLY H H 8.299 0.020 1 127 124 35 GLY C C 174.356 0.3 1 128 124 35 GLY CA C 44.924 0.3 1 129 124 35 GLY N N 108.688 0.3 1 130 125 36 LEU H H 8.245 0.020 1 131 125 36 LEU C C 177.943 0.3 1 132 125 36 LEU CA C 54.472 0.3 1 133 125 36 LEU N N 121.968 0.3 1 134 126 37 GLY H H 8.579 0.020 1 135 126 37 GLY C C 174.801 0.3 1 136 126 37 GLY CA C 45.842 0.3 1 137 126 37 GLY N N 110.174 0.3 1 138 127 38 GLY H H 8.413 0.020 1 139 127 38 GLY C C 173.950 0.3 1 140 127 38 GLY CA C 44.764 0.3 1 141 127 38 GLY N N 109.541 0.3 1 142 128 39 TYR H H 7.888 0.020 1 143 128 39 TYR C C 175.731 0.3 1 144 128 39 TYR CA C 57.961 0.3 1 145 128 39 TYR N N 118.246 0.3 1 146 129 40 MET H H 9.135 0.020 1 147 129 40 MET C C 172.943 0.3 1 148 129 40 MET CA C 53.268 0.3 1 149 129 40 MET N N 121.669 0.3 1 150 130 41 LEU H H 8.067 0.020 1 151 130 41 LEU C C 178.191 0.3 1 152 130 41 LEU CA C 52.921 0.3 1 153 130 41 LEU N N 121.426 0.3 1 154 131 42 GLY H H 9.429 0.020 1 155 131 42 GLY C C 172.825 0.3 1 156 131 42 GLY CA C 44.525 0.3 1 157 131 42 GLY N N 115.478 0.3 1 158 132 43 SER H H 8.344 0.020 1 159 132 43 SER C C 174.961 0.3 1 160 132 43 SER CA C 58.200 0.3 1 161 132 43 SER N N 113.994 0.3 1 162 133 44 ALA H H 8.753 0.020 1 163 133 44 ALA C C 177.509 0.3 1 164 133 44 ALA CA C 52.567 0.3 1 165 133 44 ALA N N 125.790 0.3 1 166 134 45 MET H H 8.804 0.020 1 167 134 45 MET C C 175.609 0.3 1 168 134 45 MET CA C 53.541 0.3 1 169 134 45 MET N N 121.594 0.3 1 170 135 46 SER H H 8.468 0.020 1 171 135 46 SER C C 174.422 0.3 1 172 135 46 SER CA C 58.280 0.3 1 173 135 46 SER N N 116.488 0.3 1 174 136 47 ARG H H 8.698 0.020 1 175 136 47 ARG C C 174.633 0.3 1 176 136 47 ARG CA C 54.422 0.3 1 177 136 47 ARG N N 127.075 0.3 1 178 137 48 PRO C C 175.704 0.3 1 179 137 48 PRO CA C 61.962 0.3 1 180 138 49 MET H H 8.723 0.020 1 181 138 49 MET C C 175.027 0.3 1 182 138 49 MET CA C 53.694 0.3 1 183 138 49 MET N N 122.169 0.3 1 184 139 50 ILE H H 6.584 0.020 1 185 139 50 ILE C C 173.110 0.3 1 186 139 50 ILE CA C 58.778 0.3 1 187 139 50 ILE N N 124.629 0.3 1 188 140 51 HIS H H 8.112 0.020 1 189 140 51 HIS C C 175.286 0.3 1 190 140 51 HIS CA C 54.382 0.3 1 191 140 51 HIS N N 123.213 0.3 1 192 141 52 PHE H H 10.372 0.020 1 193 141 52 PHE C C 177.105 0.3 1 194 141 52 PHE CA C 59.264 0.3 1 195 141 52 PHE N N 125.408 0.3 1 196 142 53 GLY H H 8.944 0.020 1 197 142 53 GLY C C 173.283 0.3 1 198 142 53 GLY CA C 45.375 0.3 1 199 142 53 GLY N N 109.344 0.3 1 200 143 54 ASN H H 7.259 0.020 1 201 143 54 ASN C C 174.343 0.3 1 202 143 54 ASN CA C 52.164 0.3 1 203 143 54 ASN N N 114.504 0.3 1 204 144 55 ASP H H 9.032 0.020 1 205 144 55 ASP C C 177.890 0.3 1 206 144 55 ASP CA C 57.477 0.3 1 207 144 55 ASP N N 123.496 0.3 1 208 145 56 TRP H H 8.561 0.020 1 209 145 56 TRP C C 179.134 0.3 1 210 145 56 TRP CA C 61.440 0.3 1 211 145 56 TRP N N 120.567 0.3 1 212 146 57 GLU H H 8.130 0.020 1 213 146 57 GLU C C 177.707 0.3 1 214 146 57 GLU CA C 59.624 0.3 1 215 146 57 GLU N N 120.805 0.3 1 216 147 58 ASP H H 7.912 0.020 1 217 147 58 ASP C C 179.056 0.3 1 218 147 58 ASP CA C 58.197 0.3 1 219 147 58 ASP N N 119.055 0.3 1 220 148 59 ARG H H 8.039 0.020 1 221 148 59 ARG C C 177.572 0.3 1 222 148 59 ARG CA C 59.281 0.3 1 223 148 59 ARG N N 119.965 0.3 1 224 149 60 TYR H H 8.266 0.020 1 225 149 60 TYR C C 179.579 0.3 1 226 149 60 TYR CA C 61.823 0.3 1 227 149 60 TYR N N 121.039 0.3 1 228 150 61 TYR H H 9.031 0.020 1 229 150 61 TYR C C 177.013 0.3 1 230 150 61 TYR CA C 62.727 0.3 1 231 150 61 TYR N N 120.755 0.3 1 232 151 62 ARG H H 7.891 0.020 1 233 151 62 ARG C C 179.121 0.3 1 234 151 62 ARG CA C 59.611 0.3 1 235 151 62 ARG N N 117.555 0.3 1 236 152 63 GLU H H 7.926 0.020 1 237 152 63 GLU C C 177.615 0.3 1 238 152 63 GLU CA C 57.477 0.3 1 239 152 63 GLU N N 116.103 0.3 1 240 153 64 ASN H H 7.565 0.020 1 241 153 64 ASN C C 175.484 0.3 1 242 153 64 ASN CA C 54.548 0.3 1 243 153 64 ASN N N 115.431 0.3 1 244 154 65 MET H H 7.894 0.020 1 245 154 65 MET C C 176.385 0.3 1 246 154 65 MET CA C 58.773 0.3 1 247 154 65 MET N N 118.624 0.3 1 248 155 66 TYR H H 7.598 0.020 1 249 155 66 TYR C C 175.875 0.3 1 250 155 66 TYR CA C 58.877 0.3 1 251 155 66 TYR N N 116.817 0.3 1 252 156 67 ARG H H 7.519 0.020 1 253 156 67 ARG C C 176.804 0.3 1 254 156 67 ARG CA C 55.971 0.3 1 255 156 67 ARG N N 119.171 0.3 1 256 157 68 TYR H H 7.457 0.020 1 257 157 68 TYR C C 172.781 0.3 1 258 157 68 TYR CA C 52.319 0.3 1 259 157 68 TYR N N 121.712 0.3 1 260 158 69 PRO C C 175.079 0.3 1 261 158 69 PRO CA C 63.143 0.3 1 262 159 70 ASN H H 8.649 0.020 1 263 159 70 ASN C C 172.825 0.3 1 264 159 70 ASN CA C 51.631 0.3 1 265 159 70 ASN N N 116.481 0.3 1 266 160 71 GLN H H 7.298 0.020 1 267 160 71 GLN C C 174.988 0.3 1 268 160 71 GLN CA C 53.803 0.3 1 269 160 71 GLN N N 114.509 0.3 1 270 161 72 VAL H H 8.483 0.020 1 271 161 72 VAL C C 174.147 0.3 1 272 161 72 VAL CA C 58.292 0.3 1 273 161 72 VAL N N 113.013 0.3 1 274 162 73 TYR H H 8.477 0.020 1 275 162 73 TYR C C 174.710 0.3 1 276 162 73 TYR CA C 56.716 0.3 1 277 162 73 TYR N N 121.826 0.3 1 278 163 74 TYR H H 8.521 0.020 1 279 163 74 TYR C C 173.584 0.3 1 280 163 74 TYR CA C 55.529 0.3 1 281 163 74 TYR N N 111.261 0.3 1 282 164 75 ARG H H 7.947 0.020 1 283 164 75 ARG C C 178.139 0.3 1 284 164 75 ARG CA C 53.140 0.3 1 285 164 75 ARG N N 120.845 0.3 1 286 170 81 SER CA C 58.374 0.3 1 287 171 82 ASN C C 173.990 0.3 1 288 171 82 ASN CA C 51.817 0.3 1 289 172 83 GLN H H 8.660 0.020 1 290 172 83 GLN C C 176.905 0.3 1 291 172 83 GLN CA C 58.871 0.3 1 292 172 83 GLN N N 120.325 0.3 1 293 173 84 ASN H H 8.424 0.020 1 294 173 84 ASN C C 177.706 0.3 1 295 173 84 ASN CA C 56.120 0.3 1 296 173 84 ASN N N 117.359 0.3 1 297 174 85 ASN H H 8.592 0.020 1 298 174 85 ASN C C 177.338 0.3 1 299 174 85 ASN CA C 55.721 0.3 1 300 174 85 ASN N N 118.472 0.3 1 301 175 86 PHE C C 177.496 0.3 1 302 175 86 PHE CA C 60.417 0.3 1 303 176 87 VAL H H 8.905 0.020 1 304 176 87 VAL C C 176.673 0.3 1 305 176 87 VAL CA C 67.332 0.3 1 306 176 87 VAL N N 120.616 0.3 1 307 177 88 HIS H H 8.377 0.020 1 308 177 88 HIS C C 177.602 0.3 1 309 177 88 HIS CA C 59.560 0.3 1 310 177 88 HIS N N 117.905 0.3 1 311 178 89 ASP H H 7.438 0.020 1 312 178 89 ASP C C 175.848 0.3 1 313 178 89 ASP CA C 56.779 0.3 1 314 178 89 ASP N N 118.340 0.3 1 315 179 90 CYS H H 8.161 0.020 1 316 179 90 CYS C C 177.524 0.3 1 317 179 90 CYS CA C 58.325 0.3 1 318 179 90 CYS N N 119.188 0.3 1 319 180 91 VAL H H 9.301 0.020 1 320 180 91 VAL C C 177.236 0.3 1 321 180 91 VAL CA C 65.783 0.3 1 322 180 91 VAL N N 125.178 0.3 1 323 181 92 ASN H H 7.600 0.020 1 324 181 92 ASN C C 178.466 0.3 1 325 181 92 ASN CA C 56.420 0.3 1 326 181 92 ASN N N 116.537 0.3 1 327 182 93 ILE H H 8.801 0.020 1 328 182 93 ILE C C 177.903 0.3 1 329 182 93 ILE CA C 61.717 0.3 1 330 182 93 ILE N N 119.168 0.3 1 331 183 94 THR H H 8.169 0.020 1 332 183 94 THR C C 177.694 0.3 1 333 183 94 THR CA C 68.206 0.3 1 334 183 94 THR N N 118.234 0.3 1 335 184 95 ILE H H 8.480 0.020 1 336 184 95 ILE C C 178.848 0.3 1 337 184 95 ILE CA C 66.138 0.3 1 338 184 95 ILE N N 121.308 0.3 1 339 185 96 LYS H H 8.148 0.020 1 340 185 96 LYS C C 179.032 0.3 1 341 185 96 LYS CA C 59.859 0.3 1 342 185 96 LYS N N 123.720 0.3 1 343 186 97 GLN H H 8.557 0.020 1 344 186 97 GLN C C 178.665 0.3 1 345 186 97 GLN CA C 57.706 0.3 1 346 186 97 GLN N N 117.389 0.3 1 347 187 98 HIS H H 8.520 0.020 1 348 187 98 HIS C C 178.741 0.3 1 349 187 98 HIS CA C 59.490 0.3 1 350 187 98 HIS N N 120.369 0.3 1 351 188 99 THR H H 8.537 0.020 1 352 188 99 THR C C 176.503 0.3 1 353 188 99 THR CA C 66.433 0.3 1 354 188 99 THR N N 115.469 0.3 1 355 189 100 VAL H H 8.105 0.020 1 356 189 100 VAL C C 178.558 0.3 1 357 189 100 VAL CA C 66.052 0.3 1 358 189 100 VAL N N 123.511 0.3 1 359 190 101 THR H H 8.218 0.020 1 360 190 101 THR C C 176.760 0.3 1 361 190 101 THR CA C 65.155 0.3 1 362 190 101 THR N N 115.538 0.3 1 363 191 102 THR H H 8.056 0.020 1 364 191 102 THR C C 177.154 0.3 1 365 191 102 THR CA C 64.995 0.3 1 366 191 102 THR N N 114.886 0.3 1 367 192 103 THR H H 8.286 0.020 1 368 192 103 THR C C 178.045 0.3 1 369 192 103 THR CA C 65.154 0.3 1 370 192 103 THR N N 118.598 0.3 1 371 193 104 THR H H 7.830 0.020 1 372 193 104 THR C C 175.168 0.3 1 373 193 104 THR CA C 64.488 0.3 1 374 193 104 THR N N 116.678 0.3 1 375 194 105 LYS H H 7.463 0.020 1 376 194 105 LYS C C 176.708 0.3 1 377 194 105 LYS CA C 55.813 0.3 1 378 194 105 LYS N N 119.804 0.3 1 379 195 106 GLY H H 7.920 0.020 1 380 195 106 GLY C C 174.252 0.3 1 381 195 106 GLY CA C 45.138 0.3 1 382 195 106 GLY N N 108.075 0.3 1 383 196 107 GLU H H 7.454 0.020 1 384 196 107 GLU C C 174.893 0.3 1 385 196 107 GLU CA C 55.179 0.3 1 386 196 107 GLU N N 120.417 0.3 1 387 197 108 ASN H H 8.564 0.020 1 388 197 108 ASN C C 173.571 0.3 1 389 197 108 ASN CA C 52.431 0.3 1 390 197 108 ASN N N 119.633 0.3 1 391 198 109 PHE H H 8.790 0.020 1 392 198 109 PHE C C 176.673 0.3 1 393 198 109 PHE CA C 56.077 0.3 1 394 198 109 PHE N N 121.985 0.3 1 395 199 110 THR H H 9.609 0.020 1 396 199 110 THR C C 175.469 0.3 1 397 199 110 THR CA C 60.014 0.3 1 398 199 110 THR N N 116.217 0.3 1 399 200 111 GLU H H 9.209 0.020 1 400 200 111 GLU C C 179.265 0.3 1 401 200 111 GLU CA C 59.718 0.3 1 402 200 111 GLU N N 120.154 0.3 1 403 201 112 THR H H 7.970 0.020 1 404 201 112 THR C C 175.668 0.3 1 405 201 112 THR CA C 66.536 0.3 1 406 201 112 THR N N 116.871 0.3 1 407 202 113 ASP H H 7.536 0.020 1 408 202 113 ASP C C 177.615 0.3 1 409 202 113 ASP CA C 57.613 0.3 1 410 202 113 ASP N N 120.142 0.3 1 411 203 114 VAL H H 8.265 0.020 1 412 203 114 VAL C C 177.419 0.3 1 413 203 114 VAL CA C 67.472 0.3 1 414 203 114 VAL N N 119.910 0.3 1 415 204 115 LYS H H 7.697 0.020 1 416 204 115 LYS C C 180.050 0.3 1 417 204 115 LYS CA C 58.779 0.3 1 418 204 115 LYS N N 119.263 0.3 1 419 205 116 MET H H 8.183 0.020 1 420 205 116 MET C C 178.204 0.3 1 421 205 116 MET CA C 59.381 0.3 1 422 205 116 MET N N 118.641 0.3 1 423 206 117 MET H H 8.706 0.020 1 424 206 117 MET C C 177.799 0.3 1 425 206 117 MET CA C 59.625 0.3 1 426 206 117 MET N N 118.427 0.3 1 427 207 118 GLU H H 8.586 0.020 1 428 207 118 GLU C C 178.741 0.3 1 429 207 118 GLU CA C 60.357 0.3 1 430 207 118 GLU N N 119.115 0.3 1 431 208 119 ARG H H 7.283 0.020 1 432 208 119 ARG C C 179.332 0.3 1 433 208 119 ARG CA C 58.072 0.3 1 434 208 119 ARG N N 116.993 0.3 1 435 209 120 VAL H H 8.275 0.020 1 436 209 120 VAL C C 177.040 0.3 1 437 209 120 VAL CA C 65.358 0.3 1 438 209 120 VAL N N 119.299 0.3 1 439 210 121 VAL H H 9.171 0.020 1 440 210 121 VAL C C 177.615 0.3 1 441 210 121 VAL CA C 65.986 0.3 1 442 210 121 VAL N N 121.577 0.3 1 443 211 122 GLU H H 8.012 0.020 1 444 211 122 GLU C C 177.524 0.3 1 445 211 122 GLU CA C 60.869 0.3 1 446 211 122 GLU N N 120.948 0.3 1 447 212 123 GLN H H 7.085 0.020 1 448 212 123 GLN C C 179.199 0.3 1 449 212 123 GLN CA C 58.794 0.3 1 450 212 123 GLN N N 115.472 0.3 1 451 213 124 MET H H 8.135 0.020 1 452 213 124 MET C C 178.558 0.3 1 453 213 124 MET CA C 59.538 0.3 1 454 213 124 MET N N 119.653 0.3 1 455 214 125 CYS H H 9.237 0.020 1 456 214 125 CYS C C 176.922 0.3 1 457 214 125 CYS CA C 59.720 0.3 1 458 214 125 CYS N N 119.708 0.3 1 459 215 126 VAL H H 8.514 0.020 1 460 215 126 VAL C C 178.074 0.3 1 461 215 126 VAL CA C 67.371 0.3 1 462 215 126 VAL N N 123.896 0.3 1 463 216 127 THR H H 8.129 0.020 1 464 216 127 THR C C 176.739 0.3 1 465 216 127 THR CA C 66.677 0.3 1 466 216 127 THR N N 118.365 0.3 1 467 217 128 GLN H H 8.731 0.020 1 468 217 128 GLN C C 177.419 0.3 1 469 217 128 GLN CA C 58.315 0.3 1 470 217 128 GLN N N 122.854 0.3 1 471 218 129 TYR H H 8.627 0.020 1 472 218 129 TYR C C 178.191 0.3 1 473 218 129 TYR CA C 61.615 0.3 1 474 218 129 TYR N N 120.421 0.3 1 475 219 130 GLN H H 8.258 0.020 1 476 219 130 GLN C C 178.558 0.3 1 477 219 130 GLN CA C 58.773 0.3 1 478 219 130 GLN N N 119.877 0.3 1 479 220 131 LYS H H 7.870 0.020 1 480 220 131 LYS C C 179.788 0.3 1 481 220 131 LYS CA C 58.937 0.3 1 482 220 131 LYS N N 119.637 0.3 1 483 221 132 GLU H H 8.442 0.020 1 484 221 132 GLU C C 179.278 0.3 1 485 221 132 GLU CA C 57.510 0.3 1 486 221 132 GLU N N 118.556 0.3 1 487 222 133 SER H H 8.430 0.020 1 488 222 133 SER C C 175.718 0.3 1 489 222 133 SER CA C 60.785 0.3 1 490 222 133 SER N N 115.424 0.3 1 491 223 134 GLN H H 7.606 0.020 1 492 223 134 GLN C C 177.170 0.3 1 493 223 134 GLN CA C 57.730 0.3 1 494 223 134 GLN N N 120.977 0.3 1 495 224 135 ALA H H 7.606 0.020 1 496 224 135 ALA C C 179.006 0.3 1 497 224 135 ALA CA C 53.729 0.3 1 498 224 135 ALA N N 120.905 0.3 1 499 225 136 TYR H H 7.944 0.020 1 500 225 136 TYR C C 177.227 0.3 1 501 225 136 TYR CA C 59.590 0.3 1 502 225 136 TYR N N 119.370 0.3 1 503 226 137 TYR H H 8.057 0.020 1 504 226 137 TYR C C 176.955 0.3 1 505 226 137 TYR CA C 59.354 0.3 1 506 226 137 TYR N N 119.874 0.3 1 507 227 138 ASP H H 8.254 0.020 1 508 227 138 ASP C C 177.299 0.3 1 509 227 138 ASP CA C 54.911 0.3 1 510 227 138 ASP N N 121.166 0.3 1 511 228 139 GLY H H 7.859 0.020 1 512 228 139 GLY C C 174.422 0.3 1 513 228 139 GLY CA C 45.247 0.3 1 514 228 139 GLY N N 108.145 0.3 1 515 229 140 ARG H H 7.837 0.020 1 516 229 140 ARG C C 176.202 0.3 1 517 229 140 ARG CA C 55.777 0.3 1 518 229 140 ARG N N 120.239 0.3 1 519 230 141 ARG H H 8.252 0.020 1 520 230 141 ARG C C 175.508 0.3 1 521 230 141 ARG CA C 55.502 0.3 1 522 230 141 ARG N N 122.755 0.3 1 523 231 142 SER H H 8.012 0.020 1 524 231 142 SER C C 178.705 0.3 1 525 231 142 SER CA C 59.604 0.3 1 526 231 142 SER N N 122.998 0.3 1 stop_ save_