data_16078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse prion protein fragment mPrP[A117V](90-231) at pH 7.0 ; _BMRB_accession_number 16078 _BMRB_flat_file_name bmr16078.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" 127 "13C chemical shifts" 270 "15N chemical shifts" 127 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)' 16079 'mPrP90 (3AV)' 16080 'mPrP90 (2II)' 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_A117V _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mPrP90_A117V $mPrP90_A117V stop_ _System_molecular_weight 16210.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPrP90_A117V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP90_A117V _Molecular_mass 16210.9 _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 KHVAGAAVAGAVVGGLGGYM 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 LYS 22 111 HIS 23 112 VAL 24 113 ALA 25 114 GLY 26 115 ALA 27 116 ALA 28 117 VAL 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_A117V 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_A117V '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_A117V 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_A117V _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 8.317 0.020 1 2 90 1 GLY C C 174.256 0.3 1 3 90 1 GLY CA C 44.902 0.3 1 4 90 1 GLY N N 109.327 0.3 1 5 91 2 GLN H H 8.363 0.020 1 6 91 2 GLN C C 176.690 0.3 1 7 91 2 GLN CA C 55.533 0.3 1 8 91 2 GLN N N 120.233 0.3 1 9 92 3 GLY H H 8.595 0.020 1 10 92 3 GLY C C 174.766 0.3 1 11 92 3 GLY CA C 44.921 0.3 1 12 92 3 GLY N N 110.765 0.3 1 13 93 4 GLY H H 8.373 0.020 1 14 93 4 GLY C C 174.648 0.3 1 15 93 4 GLY CA C 44.837 0.3 1 16 93 4 GLY N N 109.186 0.3 1 17 94 5 GLY H H 8.387 0.020 1 18 94 5 GLY C C 174.519 0.3 1 19 94 5 GLY CA C 44.783 0.3 1 20 94 5 GLY N N 109.051 0.3 1 21 95 6 THR H H 8.165 0.020 1 22 95 6 THR CA C 61.597 0.3 1 23 95 6 THR N N 113.632 0.3 1 24 97 8 ASN C C 175.191 0.3 1 25 97 8 ASN CA C 52.782 0.3 1 26 98 9 GLN H H 8.373 0.020 1 27 98 9 GLN C C 175.748 0.3 1 28 98 9 GLN CA C 55.795 0.3 1 29 98 9 GLN N N 120.492 0.3 1 30 99 10 TRP H H 8.090 0.020 1 31 99 10 TRP C C 175.852 0.3 1 32 99 10 TRP CA C 56.761 0.3 1 33 99 10 TRP N N 121.268 0.3 1 34 100 11 ASN H H 8.082 0.020 1 35 100 11 ASN C C 174.334 0.3 1 36 100 11 ASN CA C 52.396 0.3 1 37 100 11 ASN N N 120.247 0.3 1 38 101 12 LYS H H 8.027 0.020 1 39 101 12 LYS C C 178.660 0.3 1 40 101 12 LYS CA C 53.739 0.3 1 41 101 12 LYS N N 122.790 0.3 1 42 102 13 PRO C C 176.950 0.3 1 43 102 13 PRO CA C 62.640 0.3 1 44 103 14 SER H H 8.480 0.020 1 45 103 14 SER C C 174.151 0.3 1 46 103 14 SER CA C 57.690 0.3 1 47 103 14 SER N N 117.211 0.3 1 48 104 15 LYS H H 8.376 0.020 1 49 104 15 LYS C C 174.434 0.3 1 50 104 15 LYS CA C 53.769 0.3 1 51 104 15 LYS N N 124.501 0.3 1 52 105 16 PRO C C 176.839 0.3 1 53 105 16 PRO CA C 62.543 0.3 1 54 106 17 LYS H H 8.580 0.020 1 55 106 17 LYS C C 176.797 0.3 1 56 106 17 LYS CA C 55.962 0.3 1 57 106 17 LYS N N 122.443 0.3 1 58 107 18 THR H H 8.195 0.020 1 59 107 18 THR C C 173.872 0.3 1 60 107 18 THR CA C 61.142 0.3 1 61 107 18 THR N N 115.618 0.3 1 62 108 19 ASN C C 174.988 0.3 1 63 108 19 ASN CA C 52.592 0.3 1 64 109 20 LEU H H 8.288 0.020 1 65 109 20 LEU C C 177.195 0.3 1 66 109 20 LEU CA C 54.787 0.3 1 67 109 20 LEU N N 123.344 0.3 1 68 110 21 LYS H H 8.316 0.020 1 69 110 21 LYS C C 176.168 0.3 1 70 110 21 LYS CA C 55.909 0.3 1 71 110 21 LYS N N 122.041 0.3 1 72 111 22 HIS H H 8.282 0.020 1 73 111 22 HIS C C 175.224 0.3 1 74 111 22 HIS CA C 55.839 0.3 1 75 111 22 HIS N N 121.520 0.3 1 76 112 23 VAL H H 8.047 0.020 1 77 112 23 VAL C C 175.508 0.3 1 78 112 23 VAL CA C 61.509 0.3 1 79 112 23 VAL N N 123.141 0.3 1 80 113 24 ALA H H 8.462 0.020 1 81 113 24 ALA C C 178.096 0.3 1 82 113 24 ALA CA C 52.258 0.3 1 83 113 24 ALA N N 128.548 0.3 1 84 114 25 GLY H H 8.412 0.020 1 85 114 25 GLY C C 173.682 0.3 1 86 114 25 GLY CA C 44.770 0.3 1 87 114 25 GLY N N 108.933 0.3 1 88 115 26 ALA H H 8.121 0.020 1 89 115 26 ALA C C 177.432 0.3 1 90 115 26 ALA CA C 51.847 0.3 1 91 115 26 ALA N N 123.883 0.3 1 92 116 27 ALA H H 8.338 0.020 1 93 116 27 ALA C C 177.714 0.3 1 94 116 27 ALA CA C 51.930 0.3 1 95 116 27 ALA N N 123.787 0.3 1 96 117 28 VAL H H 8.116 0.020 1 97 117 28 VAL C C 175.932 0.3 1 98 117 28 VAL CA C 61.593 0.3 1 99 117 28 VAL N N 119.942 0.3 1 100 118 29 ALA H H 8.456 0.020 1 101 118 29 ALA C C 178.083 0.3 1 102 118 29 ALA CA C 52.240 0.3 1 103 118 29 ALA N N 128.393 0.3 1 104 119 30 GLY H H 8.390 0.020 1 105 119 30 GLY C C 173.680 0.3 1 106 119 30 GLY CA C 44.715 0.3 1 107 119 30 GLY N N 108.834 0.3 1 108 120 31 ALA H H 8.120 0.020 1 109 120 31 ALA C C 177.555 0.3 1 110 120 31 ALA CA C 51.853 0.3 1 111 120 31 ALA N N 123.838 0.3 1 112 121 32 VAL H H 8.188 0.020 1 113 121 32 VAL C C 176.337 0.3 1 114 121 32 VAL CA C 61.670 0.3 1 115 121 32 VAL N N 119.899 0.3 1 116 122 33 VAL H H 8.321 0.020 1 117 122 33 VAL C C 176.599 0.3 1 118 122 33 VAL CA C 62.001 0.3 1 119 122 33 VAL N N 124.978 0.3 1 120 123 34 GLY H H 8.613 0.020 1 121 123 34 GLY C C 174.705 0.3 1 122 123 34 GLY CA C 44.911 0.3 1 123 123 34 GLY N N 113.691 0.3 1 124 124 35 GLY H H 8.307 0.020 1 125 124 35 GLY C C 174.334 0.3 1 126 124 35 GLY CA C 44.906 0.3 1 127 124 35 GLY N N 108.736 0.3 1 128 125 36 LEU H H 8.221 0.020 1 129 125 36 LEU C C 177.894 0.3 1 130 125 36 LEU CA C 54.456 0.3 1 131 125 36 LEU N N 122.027 0.3 1 132 126 37 GLY H H 8.585 0.020 1 133 126 37 GLY C C 174.805 0.3 1 134 126 37 GLY CA C 45.840 0.3 1 135 126 37 GLY N N 110.217 0.3 1 136 127 38 GLY H H 8.416 0.020 1 137 127 38 GLY C C 173.930 0.3 1 138 127 38 GLY CA C 44.667 0.3 1 139 127 38 GLY N N 109.464 0.3 1 140 128 39 TYR H H 7.890 0.020 1 141 128 39 TYR C C 175.695 0.3 1 142 128 39 TYR CA C 57.965 0.3 1 143 128 39 TYR N N 118.243 0.3 1 144 129 40 MET H H 9.136 0.020 1 145 129 40 MET C C 172.934 0.3 1 146 129 40 MET CA C 53.235 0.3 1 147 129 40 MET N N 121.696 0.3 1 148 130 41 LEU H H 8.075 0.020 1 149 130 41 LEU C C 178.143 0.3 1 150 130 41 LEU CA C 52.944 0.3 1 151 130 41 LEU N N 121.383 0.3 1 152 131 42 GLY H H 9.433 0.020 1 153 131 42 GLY C C 172.809 0.3 1 154 131 42 GLY CA C 44.526 0.3 1 155 131 42 GLY N N 115.453 0.3 1 156 132 43 SER H H 8.343 0.020 1 157 132 43 SER C C 174.937 0.3 1 158 132 43 SER CA C 58.079 0.3 1 159 132 43 SER N N 114.014 0.3 1 160 133 44 ALA H H 8.754 0.020 1 161 133 44 ALA C C 177.510 0.3 1 162 133 44 ALA CA C 52.527 0.3 1 163 133 44 ALA N N 125.817 0.3 1 164 134 45 MET H H 8.801 0.020 1 165 134 45 MET C C 175.589 0.3 1 166 134 45 MET CA C 53.476 0.3 1 167 134 45 MET N N 121.585 0.3 1 168 135 46 SER H H 8.468 0.020 1 169 135 46 SER C C 174.413 0.3 1 170 135 46 SER CA C 58.194 0.3 1 171 135 46 SER N N 116.455 0.3 1 172 136 47 ARG H H 8.703 0.020 1 173 136 47 ARG C C 174.613 0.3 1 174 136 47 ARG CA C 54.397 0.3 1 175 136 47 ARG N N 127.094 0.3 1 176 137 48 PRO C C 175.656 0.3 1 177 137 48 PRO CA C 61.908 0.3 1 178 138 49 MET H H 8.725 0.020 1 179 138 49 MET C C 175.002 0.3 1 180 138 49 MET CA C 53.616 0.3 1 181 138 49 MET N N 122.192 0.3 1 182 139 50 ILE H H 6.584 0.020 1 183 139 50 ILE C C 173.130 0.3 1 184 139 50 ILE CA C 58.766 0.3 1 185 139 50 ILE N N 124.628 0.3 1 186 140 51 HIS H H 8.129 0.020 1 187 140 51 HIS C C 175.277 0.3 1 188 140 51 HIS CA C 54.332 0.3 1 189 140 51 HIS N N 123.217 0.3 1 190 141 52 PHE H H 10.372 0.020 1 191 141 52 PHE C C 177.070 0.3 1 192 141 52 PHE CA C 59.191 0.3 1 193 141 52 PHE N N 125.391 0.3 1 194 142 53 GLY H H 8.941 0.020 1 195 142 53 GLY C C 173.235 0.3 1 196 142 53 GLY CA C 45.264 0.3 1 197 142 53 GLY N N 109.357 0.3 1 198 143 54 ASN H H 7.260 0.020 1 199 143 54 ASN C C 174.333 0.3 1 200 143 54 ASN CA C 52.100 0.3 1 201 143 54 ASN N N 114.498 0.3 1 202 144 55 ASP H H 9.034 0.020 1 203 144 55 ASP C C 177.894 0.3 1 204 144 55 ASP CA C 57.399 0.3 1 205 144 55 ASP N N 123.502 0.3 1 206 145 56 TRP H H 8.561 0.020 1 207 145 56 TRP C C 179.125 0.3 1 208 145 56 TRP CA C 61.375 0.3 1 209 145 56 TRP N N 120.600 0.3 1 210 146 57 GLU H H 8.136 0.020 1 211 146 57 GLU C C 177.711 0.3 1 212 146 57 GLU CA C 59.595 0.3 1 213 146 57 GLU N N 120.714 0.3 1 214 147 58 ASP H H 7.914 0.020 1 215 147 58 ASP C C 179.046 0.3 1 216 147 58 ASP CA C 58.193 0.3 1 217 147 58 ASP N N 119.043 0.3 1 218 148 59 ARG H H 8.028 0.020 1 219 148 59 ARG C C 177.541 0.3 1 220 148 59 ARG CA C 59.262 0.3 1 221 148 59 ARG N N 119.940 0.3 1 222 149 60 TYR H H 8.267 0.020 1 223 149 60 TYR C C 179.570 0.3 1 224 149 60 TYR CA C 61.730 0.3 1 225 149 60 TYR N N 121.063 0.3 1 226 150 61 TYR H H 9.031 0.020 1 227 150 61 TYR C C 176.991 0.3 1 228 150 61 TYR CA C 62.665 0.3 1 229 150 61 TYR N N 120.752 0.3 1 230 151 62 ARG H H 7.890 0.020 1 231 151 62 ARG C C 179.112 0.3 1 232 151 62 ARG CA C 59.532 0.3 1 233 151 62 ARG N N 117.570 0.3 1 234 152 63 GLU H H 7.925 0.020 1 235 152 63 GLU C C 177.593 0.3 1 236 152 63 GLU CA C 57.439 0.3 1 237 152 63 GLU N N 116.085 0.3 1 238 153 64 ASN H H 7.562 0.020 1 239 153 64 ASN C C 175.460 0.3 1 240 153 64 ASN CA C 54.540 0.3 1 241 153 64 ASN N N 115.422 0.3 1 242 154 65 MET H H 7.889 0.020 1 243 154 65 MET C C 176.324 0.3 1 244 154 65 MET CA C 58.671 0.3 1 245 154 65 MET N N 118.623 0.3 1 246 155 66 TYR H H 7.597 0.020 1 247 155 66 TYR C C 175.852 0.3 1 248 155 66 TYR CA C 58.800 0.3 1 249 155 66 TYR N N 116.808 0.3 1 250 156 67 ARG H H 7.522 0.020 1 251 156 67 ARG C C 176.775 0.3 1 252 156 67 ARG CA C 55.903 0.3 1 253 156 67 ARG N N 119.168 0.3 1 254 157 68 TYR H H 7.454 0.020 1 255 157 68 TYR C C 172.761 0.3 1 256 157 68 TYR CA C 52.223 0.3 1 257 157 68 TYR N N 121.709 0.3 1 258 158 69 PRO C C 175.028 0.3 1 259 158 69 PRO CA C 63.130 0.3 1 260 159 70 ASN H H 8.646 0.020 1 261 159 70 ASN C C 172.808 0.3 1 262 159 70 ASN CA C 51.578 0.3 1 263 159 70 ASN N N 116.465 0.3 1 264 160 71 GLN H H 7.295 0.020 1 265 160 71 GLN C C 174.968 0.3 1 266 160 71 GLN CA C 53.732 0.3 1 267 160 71 GLN N N 114.497 0.3 1 268 161 72 VAL H H 8.475 0.020 1 269 161 72 VAL C C 174.114 0.3 1 270 161 72 VAL CA C 58.222 0.3 1 271 161 72 VAL N N 112.983 0.3 1 272 162 73 TYR H H 8.484 0.020 1 273 162 73 TYR C C 174.705 0.3 1 274 162 73 TYR CA C 56.575 0.3 1 275 162 73 TYR N N 121.825 0.3 1 276 163 74 TYR H H 8.515 0.020 1 277 163 74 TYR C C 173.575 0.3 1 278 163 74 TYR CA C 55.501 0.3 1 279 163 74 TYR N N 111.242 0.3 1 280 164 75 ARG H H 7.944 0.020 1 281 164 75 ARG C C 178.119 0.3 1 282 164 75 ARG CA C 53.044 0.3 1 283 164 75 ARG N N 120.895 0.3 1 284 170 81 SER CA C 58.355 0.3 1 285 171 82 ASN C C 173.970 0.3 1 286 171 82 ASN CA C 51.824 0.3 1 287 172 83 GLN H H 8.658 0.020 1 288 172 83 GLN C C 176.880 0.3 1 289 172 83 GLN CA C 58.734 0.3 1 290 172 83 GLN N N 120.174 0.3 1 291 173 84 ASN H H 8.428 0.020 1 292 173 84 ASN C C 177.711 0.3 1 293 173 84 ASN CA C 56.095 0.3 1 294 173 84 ASN N N 117.395 0.3 1 295 174 85 ASN H H 8.592 0.020 1 296 174 85 ASN C C 177.318 0.3 1 297 174 85 ASN CA C 55.618 0.3 1 298 174 85 ASN N N 118.486 0.3 1 299 175 86 PHE C C 177.476 0.3 1 300 175 86 PHE CA C 60.398 0.3 1 301 176 87 VAL H H 8.904 0.020 1 302 176 87 VAL C C 176.677 0.3 1 303 176 87 VAL CA C 67.337 0.3 1 304 176 87 VAL N N 120.628 0.3 1 305 177 88 HIS H H 8.382 0.020 1 306 177 88 HIS C C 177.573 0.3 1 307 177 88 HIS CA C 59.490 0.3 1 308 177 88 HIS N N 117.889 0.3 1 309 178 89 ASP H H 7.436 0.020 1 310 178 89 ASP C C 175.842 0.3 1 311 178 89 ASP CA C 56.696 0.3 1 312 178 89 ASP N N 118.315 0.3 1 313 179 90 CYS H H 8.164 0.020 1 314 179 90 CYS C C 177.528 0.3 1 315 179 90 CYS CA C 58.250 0.3 1 316 179 90 CYS N N 119.182 0.3 1 317 180 91 VAL H H 9.301 0.020 1 318 180 91 VAL C C 177.224 0.3 1 319 180 91 VAL CA C 65.771 0.3 1 320 180 91 VAL N N 125.174 0.3 1 321 181 92 ASN H H 7.601 0.020 1 322 181 92 ASN C C 178.466 0.3 1 323 181 92 ASN CA C 56.317 0.3 1 324 181 92 ASN N N 116.517 0.3 1 325 182 93 ILE H H 8.804 0.020 1 326 182 93 ILE C C 177.907 0.3 1 327 182 93 ILE CA C 61.669 0.3 1 328 182 93 ILE N N 119.173 0.3 1 329 183 94 THR H H 8.166 0.020 1 330 183 94 THR C C 177.659 0.3 1 331 183 94 THR CA C 68.055 0.3 1 332 183 94 THR N N 118.262 0.3 1 333 184 95 ILE H H 8.479 0.020 1 334 184 95 ILE C C 178.833 0.3 1 335 184 95 ILE CA C 66.146 0.3 1 336 184 95 ILE N N 121.315 0.3 1 337 185 96 LYS H H 8.152 0.020 1 338 185 96 LYS C C 179.025 0.3 1 339 185 96 LYS CA C 59.861 0.3 1 340 185 96 LYS N N 123.653 0.3 1 341 186 97 GLN H H 8.560 0.020 1 342 186 97 GLN C C 178.650 0.3 1 343 186 97 GLN CA C 57.678 0.3 1 344 186 97 GLN N N 117.392 0.3 1 345 187 98 HIS H H 8.521 0.020 1 346 187 98 HIS C C 178.750 0.3 1 347 187 98 HIS CA C 59.490 0.3 1 348 187 98 HIS N N 120.410 0.3 1 349 188 99 THR H H 8.535 0.020 1 350 188 99 THR C C 176.488 0.3 1 351 188 99 THR CA C 66.378 0.3 1 352 188 99 THR N N 115.451 0.3 1 353 189 100 VAL H H 8.104 0.020 1 354 189 100 VAL C C 178.552 0.3 1 355 189 100 VAL CA C 65.959 0.3 1 356 189 100 VAL N N 123.465 0.3 1 357 190 101 THR H H 8.216 0.020 1 358 190 101 THR C C 176.727 0.3 1 359 190 101 THR CA C 65.132 0.3 1 360 190 101 THR N N 115.515 0.3 1 361 191 102 THR H H 8.055 0.020 1 362 191 102 THR C C 177.134 0.3 1 363 191 102 THR CA C 64.913 0.3 1 364 191 102 THR N N 114.875 0.3 1 365 192 103 THR H H 8.287 0.020 1 366 192 103 THR C C 178.012 0.3 1 367 192 103 THR CA C 65.100 0.3 1 368 192 103 THR N N 118.577 0.3 1 369 193 104 THR H H 7.830 0.020 1 370 193 104 THR C C 175.133 0.3 1 371 193 104 THR CA C 64.432 0.3 1 372 193 104 THR N N 116.681 0.3 1 373 194 105 LYS H H 7.465 0.020 1 374 194 105 LYS C C 176.683 0.3 1 375 194 105 LYS CA C 55.770 0.3 1 376 194 105 LYS N N 119.832 0.3 1 377 195 106 GLY H H 7.923 0.020 1 378 195 106 GLY C C 174.237 0.3 1 379 195 106 GLY CA C 45.078 0.3 1 380 195 106 GLY N N 108.071 0.3 1 381 196 107 GLU H H 7.454 0.020 1 382 196 107 GLU C C 174.897 0.3 1 383 196 107 GLU CA C 55.141 0.3 1 384 196 107 GLU N N 120.437 0.3 1 385 197 108 ASN H H 8.562 0.020 1 386 197 108 ASN C C 173.575 0.3 1 387 197 108 ASN CA C 52.362 0.3 1 388 197 108 ASN N N 119.652 0.3 1 389 198 109 PHE H H 8.787 0.020 1 390 198 109 PHE C C 176.676 0.3 1 391 198 109 PHE CA C 56.058 0.3 1 392 198 109 PHE N N 121.993 0.3 1 393 199 110 THR H H 9.608 0.020 1 394 199 110 THR C C 175.457 0.3 1 395 199 110 THR CA C 59.992 0.3 1 396 199 110 THR N N 116.210 0.3 1 397 200 111 GLU H H 9.208 0.020 1 398 200 111 GLU C C 179.239 0.3 1 399 200 111 GLU CA C 59.726 0.3 1 400 200 111 GLU N N 120.184 0.3 1 401 201 112 THR H H 7.971 0.020 1 402 201 112 THR C C 175.651 0.3 1 403 201 112 THR CA C 66.498 0.3 1 404 201 112 THR N N 116.887 0.3 1 405 202 113 ASP H H 7.533 0.020 1 406 202 113 ASP C C 177.570 0.3 1 407 202 113 ASP CA C 57.670 0.3 1 408 202 113 ASP N N 120.149 0.3 1 409 203 114 VAL H H 8.268 0.020 1 410 203 114 VAL C C 177.386 0.3 1 411 203 114 VAL CA C 67.442 0.3 1 412 203 114 VAL N N 119.868 0.3 1 413 204 115 LYS H H 7.697 0.020 1 414 204 115 LYS C C 180.041 0.3 1 415 204 115 LYS CA C 58.723 0.3 1 416 204 115 LYS N N 119.284 0.3 1 417 205 116 MET H H 8.182 0.020 1 418 205 116 MET C C 178.195 0.3 1 419 205 116 MET CA C 59.310 0.3 1 420 205 116 MET N N 118.695 0.3 1 421 206 117 MET H H 8.707 0.020 1 422 206 117 MET C C 177.777 0.3 1 423 206 117 MET CA C 59.586 0.3 1 424 206 117 MET N N 118.440 0.3 1 425 207 118 GLU H H 8.585 0.020 1 426 207 118 GLU C C 178.702 0.3 1 427 207 118 GLU CA C 60.314 0.3 1 428 207 118 GLU N N 119.119 0.3 1 429 208 119 ARG H H 7.286 0.020 1 430 208 119 ARG C C 179.312 0.3 1 431 208 119 ARG CA C 58.051 0.3 1 432 208 119 ARG N N 116.978 0.3 1 433 209 120 VAL H H 8.273 0.020 1 434 209 120 VAL C C 177.012 0.3 1 435 209 120 VAL CA C 65.266 0.3 1 436 209 120 VAL N N 119.306 0.3 1 437 210 121 VAL H H 9.174 0.020 1 438 210 121 VAL C C 177.607 0.3 1 439 210 121 VAL CA C 65.967 0.3 1 440 210 121 VAL N N 121.570 0.3 1 441 211 122 GLU H H 8.013 0.020 1 442 211 122 GLU C C 177.514 0.3 1 443 211 122 GLU CA C 60.792 0.3 1 444 211 122 GLU N N 120.925 0.3 1 445 212 123 GLN H H 7.088 0.020 1 446 212 123 GLN C C 179.216 0.3 1 447 212 123 GLN CA C 58.710 0.3 1 448 212 123 GLN N N 115.479 0.3 1 449 213 124 MET H H 8.162 0.020 1 450 213 124 MET C C 178.549 0.3 1 451 213 124 MET CA C 59.572 0.3 1 452 213 124 MET N N 119.434 0.3 1 453 214 125 CYS H H 9.233 0.020 1 454 214 125 CYS C C 176.886 0.3 1 455 214 125 CYS CA C 59.659 0.3 1 456 214 125 CYS N N 119.691 0.3 1 457 215 126 VAL H H 8.509 0.020 1 458 215 126 VAL C C 178.041 0.3 1 459 215 126 VAL CA C 67.274 0.3 1 460 215 126 VAL N N 123.887 0.3 1 461 216 127 THR H H 8.132 0.020 1 462 216 127 THR C C 176.690 0.3 1 463 216 127 THR CA C 66.624 0.3 1 464 216 127 THR N N 118.339 0.3 1 465 217 128 GLN H H 8.732 0.020 1 466 217 128 GLN C C 177.393 0.3 1 467 217 128 GLN CA C 58.258 0.3 1 468 217 128 GLN N N 122.861 0.3 1 469 218 129 TYR H H 8.620 0.020 1 470 218 129 TYR C C 178.182 0.3 1 471 218 129 TYR CA C 61.608 0.3 1 472 218 129 TYR N N 120.465 0.3 1 473 219 130 GLN H H 8.250 0.020 1 474 219 130 GLN C C 178.549 0.3 1 475 219 130 GLN CA C 58.666 0.3 1 476 219 130 GLN N N 119.920 0.3 1 477 220 131 LYS H H 7.873 0.020 1 478 220 131 LYS C C 179.777 0.3 1 479 220 131 LYS CA C 58.924 0.3 1 480 220 131 LYS N N 119.622 0.3 1 481 221 132 GLU H H 8.435 0.020 1 482 221 132 GLU C C 179.229 0.3 1 483 221 132 GLU CA C 57.432 0.3 1 484 221 132 GLU N N 118.538 0.3 1 485 222 133 SER H H 8.421 0.020 1 486 222 133 SER C C 175.643 0.3 1 487 222 133 SER CA C 60.774 0.3 1 488 222 133 SER N N 115.422 0.3 1 489 223 134 GLN H H 7.608 0.020 1 490 223 134 GLN C C 177.161 0.3 1 491 223 134 GLN CA C 57.673 0.3 1 492 223 134 GLN N N 120.946 0.3 1 493 224 135 ALA H H 7.608 0.020 1 494 224 135 ALA C C 178.952 0.3 1 495 224 135 ALA CA C 53.673 0.3 1 496 224 135 ALA N N 120.897 0.3 1 497 225 136 TYR H H 7.947 0.020 1 498 225 136 TYR C C 177.161 0.3 1 499 225 136 TYR CA C 59.497 0.3 1 500 225 136 TYR N N 119.363 0.3 1 501 226 137 TYR H H 8.056 0.020 1 502 226 137 TYR C C 176.900 0.3 1 503 226 137 TYR CA C 59.310 0.3 1 504 226 137 TYR N N 119.867 0.3 1 505 227 138 ASP H H 8.249 0.020 1 506 227 138 ASP C C 177.253 0.3 1 507 227 138 ASP CA C 54.887 0.3 1 508 227 138 ASP N N 121.189 0.3 1 509 228 139 GLY H H 7.861 0.020 1 510 228 139 GLY C C 174.413 0.3 1 511 228 139 GLY CA C 45.176 0.3 1 512 228 139 GLY N N 108.171 0.3 1 513 229 140 ARG H H 7.842 0.020 1 514 229 140 ARG C C 176.206 0.3 1 515 229 140 ARG CA C 55.732 0.3 1 516 229 140 ARG N N 120.250 0.3 1 517 230 141 ARG H H 8.251 0.020 1 518 230 141 ARG C C 175.486 0.3 1 519 230 141 ARG CA C 55.451 0.3 1 520 230 141 ARG N N 122.737 0.3 1 521 231 142 SER H H 8.012 0.020 1 522 231 142 SER C C 178.605 0.3 1 523 231 142 SER CA C 59.560 0.3 1 524 231 142 SER N N 122.990 0.3 1 stop_ save_