data_16075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse prion protein fragment mPrP[M129V](91-231) at pH 7.0 ; _BMRB_accession_number 16075 _BMRB_flat_file_name bmr16075.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" 125 "13C chemical shifts" 268 "15N chemical shifts" 125 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 16076 'mPrP90 (P102L)' 16077 'mPrP90 (P105L)' 16078 'mPrP90 (A117V)' 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mPrP90_M129V $mPrP90_M129V stop_ _System_molecular_weight 164114.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function unknown stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPrP90_M129V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP90_M129V _Molecular_mass 16093.8 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function unknown stop_ _Details 'N-terminal GLY89-SER90 remains after thrombin cleavage' ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; QGGGTHNQWNKPSKPKTNLK HVAGAAAAGAVVGGLGGYVL GSAMSRPMIHFGNDWEDRYY RENMYRYPNQVYYRPVDQYS NQNNFVHDCVNITIKQHTVT TTTKGENFTETDVKMMERVV EQMCVTQYQKESQAYYDGRR S ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLN 2 92 GLY 3 93 GLY 4 94 GLY 5 95 THR 6 96 HIS 7 97 ASN 8 98 GLN 9 99 TRP 10 100 ASN 11 101 LYS 12 102 PRO 13 103 SER 14 104 LYS 15 105 PRO 16 106 LYS 17 107 THR 18 108 ASN 19 109 LEU 20 110 LYS 21 111 HIS 22 112 VAL 23 113 ALA 24 114 GLY 25 115 ALA 26 116 ALA 27 117 ALA 28 118 ALA 29 119 GLY 30 120 ALA 31 121 VAL 32 122 VAL 33 123 GLY 34 124 GLY 35 125 LEU 36 126 GLY 37 127 GLY 38 128 TYR 39 129 VAL 40 130 LEU 41 131 GLY 42 132 SER 43 133 ALA 44 134 MET 45 135 SER 46 136 ARG 47 137 PRO 48 138 MET 49 139 ILE 50 140 HIS 51 141 PHE 52 142 GLY 53 143 ASN 54 144 ASP 55 145 TRP 56 146 GLU 57 147 ASP 58 148 ARG 59 149 TYR 60 150 TYR 61 151 ARG 62 152 GLU 63 153 ASN 64 154 MET 65 155 TYR 66 156 ARG 67 157 TYR 68 158 PRO 69 159 ASN 70 160 GLN 71 161 VAL 72 162 TYR 73 163 TYR 74 164 ARG 75 165 PRO 76 166 VAL 77 167 ASP 78 168 GLN 79 169 TYR 80 170 SER 81 171 ASN 82 172 GLN 83 173 ASN 84 174 ASN 85 175 PHE 86 176 VAL 87 177 HIS 88 178 ASP 89 179 CYS 90 180 VAL 91 181 ASN 92 182 ILE 93 183 THR 94 184 ILE 95 185 LYS 96 186 GLN 97 187 HIS 98 188 THR 99 189 VAL 100 190 THR 101 191 THR 102 192 THR 103 193 THR 104 194 LYS 105 195 GLY 106 196 GLU 107 197 ASN 108 198 PHE 109 199 THR 110 200 GLU 111 201 THR 112 202 ASP 113 203 VAL 114 204 LYS 115 205 MET 116 206 MET 117 207 GLU 118 208 ARG 119 209 VAL 120 210 VAL 121 211 GLU 122 212 GLN 123 213 MET 124 214 CYS 125 215 VAL 126 216 THR 127 217 GLN 128 218 TYR 129 219 GLN 130 220 LYS 131 221 GLU 132 222 SER 133 223 GLN 134 224 ALA 135 225 TYR 136 226 TYR 137 227 ASP 138 228 GLY 139 229 ARG 140 230 ARG 141 231 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_M129V 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_M129V '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_M129V 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_M129V _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 91 1 GLN H H 8.199 0.020 1 2 91 1 GLN C C 176.518 0.3 1 3 91 1 GLN CA C 54.619 0.3 1 4 91 1 GLN N N 122.123 0.3 1 5 92 2 GLY H H 8.520 0.020 1 6 92 2 GLY C C 174.758 0.3 1 7 92 2 GLY CA C 44.793 0.3 1 8 92 2 GLY N N 110.576 0.3 1 9 93 3 GLY H H 8.404 0.020 1 10 93 3 GLY C C 174.764 0.3 1 11 93 3 GLY CA C 44.806 0.3 1 12 93 3 GLY N N 109.097 0.3 1 13 94 4 GLY H H 8.338 0.020 1 14 94 4 GLY C C 174.526 0.3 1 15 94 4 GLY CA C 44.806 0.3 1 16 94 4 GLY N N 108.993 0.3 1 17 95 5 THR H H 8.175 0.020 1 18 95 5 THR CA C 61.563 0.3 1 19 95 5 THR N N 113.704 0.3 1 20 97 7 ASN C C 175.205 0.3 1 21 97 7 ASN CA C 52.752 0.3 1 22 98 8 GLN H H 8.378 0.020 1 23 98 8 GLN C C 175.754 0.3 1 24 98 8 GLN CA C 55.818 0.3 1 25 98 8 GLN N N 120.542 0.3 1 26 99 9 TRP H H 8.089 0.020 1 27 99 9 TRP C C 175.883 0.3 1 28 99 9 TRP CA C 56.766 0.3 1 29 99 9 TRP N N 121.269 0.3 1 30 100 10 ASN H H 8.081 0.020 1 31 100 10 ASN C C 174.346 0.3 1 32 100 10 ASN CA C 52.378 0.3 1 33 100 10 ASN N N 120.265 0.3 1 34 101 11 LYS H H 8.027 0.020 1 35 101 11 LYS C C 178.581 0.3 1 36 101 11 LYS CA C 53.738 0.3 1 37 101 11 LYS N N 122.826 0.3 1 38 102 12 PRO C C 176.965 0.3 1 39 102 12 PRO CA C 62.627 0.3 1 40 103 13 SER H H 8.483 0.020 1 41 103 13 SER C C 174.157 0.3 1 42 103 13 SER CA C 57.637 0.3 1 43 103 13 SER N N 117.237 0.3 1 44 104 14 LYS H H 8.383 0.020 1 45 104 14 LYS C C 174.325 0.3 1 46 104 14 LYS CA C 53.749 0.3 1 47 104 14 LYS N N 124.554 0.3 1 48 105 15 PRO C C 176.862 0.3 1 49 105 15 PRO CA C 62.513 0.3 1 50 106 16 LYS H H 8.584 0.020 1 51 106 16 LYS C C 176.853 0.3 1 52 106 16 LYS CA C 55.908 0.3 1 53 106 16 LYS N N 122.458 0.3 1 54 107 17 THR H H 8.202 0.020 1 55 107 17 THR C C 173.892 0.3 1 56 107 17 THR CA C 61.155 0.3 1 57 107 17 THR N N 115.710 0.3 1 58 108 18 ASN C C 175.006 0.3 1 59 108 18 ASN CA C 52.549 0.3 1 60 109 19 LEU H H 8.294 0.020 1 61 109 19 LEU C C 177.244 0.3 1 62 109 19 LEU CA C 54.794 0.3 1 63 109 19 LEU N N 123.355 0.3 1 64 110 20 LYS H H 8.317 0.020 1 65 110 20 LYS C C 176.211 0.3 1 66 110 20 LYS CA C 55.912 0.3 1 67 110 20 LYS N N 122.046 0.3 1 68 111 21 HIS H H 8.278 0.020 1 69 111 21 HIS C C 175.325 0.3 1 70 111 21 HIS CA C 55.805 0.3 1 71 111 21 HIS N N 121.512 0.3 1 72 112 22 VAL H H 8.045 0.020 1 73 112 22 VAL C C 175.557 0.3 1 74 112 22 VAL CA C 61.562 0.3 1 75 112 22 VAL N N 123.068 0.3 1 76 113 23 ALA H H 8.465 0.020 1 77 113 23 ALA C C 178.219 0.3 1 78 113 23 ALA CA C 52.233 0.3 1 79 113 23 ALA N N 128.388 0.3 1 80 114 24 GLY H H 8.430 0.020 1 81 114 24 GLY C C 174.020 0.3 1 82 114 24 GLY CA C 44.775 0.3 1 83 114 24 GLY N N 108.991 0.3 1 84 115 25 ALA H H 8.169 0.020 1 85 115 25 ALA C C 177.737 0.3 1 86 115 25 ALA CA C 52.141 0.3 1 87 115 25 ALA N N 124.151 0.3 1 88 116 26 ALA H H 8.330 0.020 1 89 116 26 ALA C C 177.637 0.3 1 90 116 26 ALA CA C 52.076 0.3 1 91 116 26 ALA N N 123.457 0.3 1 92 117 27 ALA H H 8.242 0.020 1 93 117 27 ALA C C 177.634 0.3 1 94 117 27 ALA CA C 51.974 0.3 1 95 117 27 ALA N N 123.590 0.3 1 96 118 28 ALA H H 8.264 0.020 1 97 118 28 ALA C C 178.278 0.3 1 98 118 28 ALA CA C 52.255 0.3 1 99 118 28 ALA N N 123.562 0.3 1 100 119 29 GLY H H 8.324 0.020 1 101 119 29 GLY C C 173.745 0.3 1 102 119 29 GLY CA C 44.691 0.3 1 103 119 29 GLY N N 108.230 0.3 1 104 120 30 ALA H H 8.090 0.020 1 105 120 30 ALA C C 177.623 0.3 1 106 120 30 ALA CA C 51.891 0.3 1 107 120 30 ALA N N 123.859 0.3 1 108 121 31 VAL H H 8.168 0.020 1 109 121 31 VAL C C 176.406 0.3 1 110 121 31 VAL CA C 61.736 0.3 1 111 121 31 VAL N N 119.946 0.3 1 112 122 32 VAL H H 8.329 0.020 1 113 122 32 VAL C C 176.672 0.3 1 114 122 32 VAL CA C 61.990 0.3 1 115 122 32 VAL N N 125.091 0.3 1 116 123 33 GLY H H 8.600 0.020 1 117 123 33 GLY C C 174.716 0.3 1 118 123 33 GLY CA C 44.908 0.3 1 119 123 33 GLY N N 113.618 0.3 1 120 124 34 GLY H H 8.300 0.020 1 121 124 34 GLY C C 174.389 0.3 1 122 124 34 GLY CA C 44.892 0.3 1 123 124 34 GLY N N 108.735 0.3 1 124 125 35 LEU H H 8.274 0.020 1 125 125 35 LEU C C 177.997 0.3 1 126 125 35 LEU CA C 54.357 0.3 1 127 125 35 LEU N N 121.983 0.3 1 128 126 36 GLY H H 8.570 0.020 1 129 126 36 GLY C C 174.845 0.3 1 130 126 36 GLY CA C 45.932 0.3 1 131 126 36 GLY N N 110.236 0.3 1 132 127 37 GLY H H 8.443 0.020 1 133 127 37 GLY C C 173.877 0.3 1 134 127 37 GLY CA C 44.662 0.3 1 135 127 37 GLY N N 109.942 0.3 1 136 128 38 TYR H H 7.811 0.020 1 137 128 38 TYR C C 175.555 0.3 1 138 128 38 TYR CA C 57.787 0.3 1 139 128 38 TYR N N 118.315 0.3 1 140 129 39 VAL C C 172.945 0.3 1 141 129 39 VAL CA C 59.893 0.3 1 142 130 40 LEU H H 7.971 0.020 1 143 130 40 LEU C C 177.895 0.3 1 144 130 40 LEU CA C 52.785 0.3 1 145 130 40 LEU N N 124.224 0.3 1 146 131 41 GLY H H 9.361 0.020 1 147 131 41 GLY C C 172.851 0.3 1 148 131 41 GLY CA C 44.663 0.3 1 149 131 41 GLY N N 115.643 0.3 1 150 132 42 SER H H 8.326 0.020 1 151 132 42 SER C C 174.966 0.3 1 152 132 42 SER CA C 58.070 0.3 1 153 132 42 SER N N 113.766 0.3 1 154 133 43 ALA H H 8.755 0.020 1 155 133 43 ALA C C 177.443 0.3 1 156 133 43 ALA CA C 52.534 0.3 1 157 133 43 ALA N N 125.738 0.3 1 158 134 44 MET H H 8.818 0.020 1 159 134 44 MET C C 175.523 0.3 1 160 134 44 MET CA C 53.411 0.3 1 161 134 44 MET N N 121.473 0.3 1 162 135 45 SER H H 8.467 0.020 1 163 135 45 SER C C 174.431 0.3 1 164 135 45 SER CA C 58.262 0.3 1 165 135 45 SER N N 116.445 0.3 1 166 136 46 ARG H H 8.712 0.020 1 167 136 46 ARG C C 174.613 0.3 1 168 136 46 ARG CA C 54.327 0.3 1 169 136 46 ARG N N 127.152 0.3 1 170 137 47 PRO C C 175.668 0.3 1 171 137 47 PRO CA C 61.881 0.3 1 172 138 48 MET H H 8.728 0.020 1 173 138 48 MET C C 175.036 0.3 1 174 138 48 MET CA C 53.661 0.3 1 175 138 48 MET N N 122.230 0.3 1 176 139 49 ILE H H 6.585 0.020 1 177 139 49 ILE C C 173.121 0.3 1 178 139 49 ILE CA C 58.686 0.3 1 179 139 49 ILE N N 124.649 0.3 1 180 140 50 HIS H H 8.118 0.020 1 181 140 50 HIS C C 175.355 0.3 1 182 140 50 HIS CA C 54.360 0.3 1 183 140 50 HIS N N 123.328 0.3 1 184 141 51 PHE H H 10.381 0.020 1 185 141 51 PHE C C 177.138 0.3 1 186 141 51 PHE CA C 59.177 0.3 1 187 141 51 PHE N N 125.436 0.3 1 188 142 52 GLY H H 8.944 0.020 1 189 142 52 GLY C C 173.275 0.3 1 190 142 52 GLY CA C 45.270 0.3 1 191 142 52 GLY N N 109.348 0.3 1 192 143 53 ASN H H 7.257 0.020 1 193 143 53 ASN C C 174.351 0.3 1 194 143 53 ASN CA C 52.078 0.3 1 195 143 53 ASN N N 114.549 0.3 1 196 144 54 ASP H H 9.038 0.020 1 197 144 54 ASP C C 177.895 0.3 1 198 144 54 ASP CA C 57.448 0.3 1 199 144 54 ASP N N 123.538 0.3 1 200 145 55 TRP H H 8.566 0.020 1 201 145 55 TRP C C 179.115 0.3 1 202 145 55 TRP CA C 61.418 0.3 1 203 145 55 TRP N N 120.565 0.3 1 204 146 56 GLU H H 8.134 0.020 1 205 146 56 GLU C C 177.715 0.3 1 206 146 56 GLU CA C 59.525 0.3 1 207 146 56 GLU N N 120.752 0.3 1 208 147 57 ASP H H 7.914 0.020 1 209 147 57 ASP C C 179.032 0.3 1 210 147 57 ASP CA C 58.175 0.3 1 211 147 57 ASP N N 119.060 0.3 1 212 148 58 ARG H H 8.043 0.020 1 213 148 58 ARG C C 177.592 0.3 1 214 148 58 ARG CA C 59.419 0.3 1 215 148 58 ARG N N 120.002 0.3 1 216 149 59 TYR H H 8.265 0.020 1 217 149 59 TYR C C 179.592 0.3 1 218 149 59 TYR CA C 61.737 0.3 1 219 149 59 TYR N N 121.058 0.3 1 220 150 60 TYR H H 9.034 0.020 1 221 150 60 TYR C C 177.013 0.3 1 222 150 60 TYR CA C 62.667 0.3 1 223 150 60 TYR N N 120.742 0.3 1 224 151 61 ARG H H 7.892 0.020 1 225 151 61 ARG C C 179.116 0.3 1 226 151 61 ARG CA C 59.596 0.3 1 227 151 61 ARG N N 117.568 0.3 1 228 152 62 GLU H H 7.934 0.020 1 229 152 62 GLU C C 177.610 0.3 1 230 152 62 GLU CA C 57.447 0.3 1 231 152 62 GLU N N 116.106 0.3 1 232 153 63 ASN H H 7.568 0.020 1 233 153 63 ASN C C 175.481 0.3 1 234 153 63 ASN CA C 54.519 0.3 1 235 153 63 ASN N N 115.402 0.3 1 236 154 64 MET H H 7.899 0.020 1 237 154 64 MET C C 176.351 0.3 1 238 154 64 MET CA C 58.675 0.3 1 239 154 64 MET N N 118.693 0.3 1 240 155 65 TYR H H 7.592 0.020 1 241 155 65 TYR C C 175.922 0.3 1 242 155 65 TYR CA C 58.798 0.3 1 243 155 65 TYR N N 116.838 0.3 1 244 156 66 ARG H H 7.521 0.020 1 245 156 66 ARG C C 176.826 0.3 1 246 156 66 ARG CA C 55.864 0.3 1 247 156 66 ARG N N 119.194 0.3 1 248 157 67 TYR H H 7.473 0.020 1 249 157 67 TYR C C 172.761 0.3 1 250 157 67 TYR CA C 52.242 0.3 1 251 157 67 TYR N N 121.771 0.3 1 252 158 68 PRO C C 175.084 0.3 1 253 158 68 PRO CA C 63.138 0.3 1 254 159 69 ASN H H 8.633 0.020 1 255 159 69 ASN C C 172.779 0.3 1 256 159 69 ASN CA C 51.459 0.3 1 257 159 69 ASN N N 116.540 0.3 1 258 160 70 GLN H H 7.314 0.020 1 259 160 70 GLN C C 174.903 0.3 1 260 160 70 GLN CA C 53.653 0.3 1 261 160 70 GLN N N 114.616 0.3 1 262 161 71 VAL H H 8.531 0.020 1 263 161 71 VAL C C 174.066 0.3 1 264 161 71 VAL CA C 58.207 0.3 1 265 161 71 VAL N N 113.150 0.3 1 266 162 72 TYR H H 8.488 0.020 1 267 162 72 TYR C C 174.809 0.3 1 268 162 72 TYR CA C 56.695 0.3 1 269 162 72 TYR N N 121.633 0.3 1 270 163 73 TYR H H 8.530 0.020 1 271 163 73 TYR C C 173.592 0.3 1 272 163 73 TYR CA C 55.457 0.3 1 273 163 73 TYR N N 111.063 0.3 1 274 164 74 ARG H H 7.983 0.020 1 275 164 74 ARG C C 178.119 0.3 1 276 164 74 ARG CA C 52.849 0.3 1 277 164 74 ARG N N 120.691 0.3 1 278 170 80 SER CA C 58.442 0.3 1 279 171 81 ASN C C 173.970 0.3 1 280 171 81 ASN CA C 52.256 0.3 1 281 172 82 GLN H H 8.677 0.020 1 282 172 82 GLN C C 176.877 0.3 1 283 172 82 GLN CA C 58.935 0.3 1 284 172 82 GLN N N 120.321 0.3 1 285 173 83 ASN H H 8.416 0.020 1 286 173 83 ASN C C 177.811 0.3 1 287 173 83 ASN CA C 56.124 0.3 1 288 173 83 ASN N N 117.085 0.3 1 289 174 84 ASN H H 8.578 0.020 1 290 174 84 ASN C C 177.318 0.3 1 291 174 84 ASN CA C 55.594 0.3 1 292 174 84 ASN N N 118.511 0.3 1 293 175 85 PHE C C 177.807 0.3 1 294 175 85 PHE CA C 60.485 0.3 1 295 176 86 VAL H H 8.934 0.020 1 296 176 86 VAL C C 176.683 0.3 1 297 176 86 VAL CA C 67.318 0.3 1 298 176 86 VAL N N 120.455 0.3 1 299 177 87 HIS H H 8.307 0.020 1 300 177 87 HIS C C 177.663 0.3 1 301 177 87 HIS CA C 59.612 0.3 1 302 177 87 HIS N N 118.054 0.3 1 303 178 88 ASP H H 7.504 0.020 1 304 178 88 ASP C C 175.930 0.3 1 305 178 88 ASP CA C 56.734 0.3 1 306 178 88 ASP N N 118.380 0.3 1 307 179 89 CYS H H 8.198 0.020 1 308 179 89 CYS C C 177.533 0.3 1 309 179 89 CYS CA C 58.123 0.3 1 310 179 89 CYS N N 119.332 0.3 1 311 180 90 VAL H H 9.286 0.020 1 312 180 90 VAL C C 177.250 0.3 1 313 180 90 VAL CA C 65.691 0.3 1 314 180 90 VAL N N 125.066 0.3 1 315 181 91 ASN H H 7.582 0.020 1 316 181 91 ASN C C 178.465 0.3 1 317 181 91 ASN CA C 56.340 0.3 1 318 181 91 ASN N N 116.422 0.3 1 319 182 92 ILE H H 8.765 0.020 1 320 182 92 ILE C C 178.003 0.3 1 321 182 92 ILE CA C 61.625 0.3 1 322 182 92 ILE N N 119.161 0.3 1 323 183 93 THR H H 8.173 0.020 1 324 183 93 THR C C 177.725 0.3 1 325 183 93 THR CA C 68.098 0.3 1 326 183 93 THR N N 118.416 0.3 1 327 184 94 ILE H H 8.469 0.020 1 328 184 94 ILE C C 178.786 0.3 1 329 184 94 ILE CA C 66.080 0.3 1 330 184 94 ILE N N 121.286 0.3 1 331 185 95 LYS H H 8.137 0.020 1 332 185 95 LYS C C 179.061 0.3 1 333 185 95 LYS CA C 59.865 0.3 1 334 185 95 LYS N N 123.647 0.3 1 335 186 96 GLN H H 8.557 0.020 1 336 186 96 GLN C C 178.651 0.3 1 337 186 96 GLN CA C 57.620 0.3 1 338 186 96 GLN N N 117.291 0.3 1 339 187 97 HIS H H 8.526 0.020 1 340 187 97 HIS C C 178.707 0.3 1 341 187 97 HIS CA C 59.475 0.3 1 342 187 97 HIS N N 120.475 0.3 1 343 188 98 THR H H 8.521 0.020 1 344 188 98 THR C C 176.498 0.3 1 345 188 98 THR CA C 66.374 0.3 1 346 188 98 THR N N 115.483 0.3 1 347 189 99 VAL H H 8.101 0.020 1 348 189 99 VAL C C 178.564 0.3 1 349 189 99 VAL CA C 65.950 0.3 1 350 189 99 VAL N N 123.514 0.3 1 351 190 100 THR H H 8.225 0.020 1 352 190 100 THR C C 176.771 0.3 1 353 190 100 THR CA C 65.090 0.3 1 354 190 100 THR N N 115.630 0.3 1 355 191 101 THR H H 8.060 0.020 1 356 191 101 THR C C 177.151 0.3 1 357 191 101 THR CA C 64.910 0.3 1 358 191 101 THR N N 114.889 0.3 1 359 192 102 THR H H 8.282 0.020 1 360 192 102 THR C C 178.042 0.3 1 361 192 102 THR CA C 65.033 0.3 1 362 192 102 THR N N 118.614 0.3 1 363 193 103 THR H H 7.840 0.020 1 364 193 103 THR C C 175.178 0.3 1 365 193 103 THR CA C 64.434 0.3 1 366 193 103 THR N N 116.732 0.3 1 367 194 104 LYS H H 7.471 0.020 1 368 194 104 LYS C C 176.695 0.3 1 369 194 104 LYS CA C 55.776 0.3 1 370 194 104 LYS N N 119.833 0.3 1 371 195 105 GLY H H 7.923 0.020 1 372 195 105 GLY C C 174.247 0.3 1 373 195 105 GLY CA C 45.030 0.3 1 374 195 105 GLY N N 108.076 0.3 1 375 196 106 GLU H H 7.463 0.020 1 376 196 106 GLU C C 174.901 0.3 1 377 196 106 GLU CA C 55.141 0.3 1 378 196 106 GLU N N 120.480 0.3 1 379 197 107 ASN H H 8.571 0.020 1 380 197 107 ASN C C 173.592 0.3 1 381 197 107 ASN CA C 52.342 0.3 1 382 197 107 ASN N N 119.703 0.3 1 383 198 108 PHE H H 8.788 0.020 1 384 198 108 PHE C C 176.681 0.3 1 385 198 108 PHE CA C 56.053 0.3 1 386 198 108 PHE N N 122.098 0.3 1 387 199 109 THR H H 9.601 0.020 1 388 199 109 THR C C 175.466 0.3 1 389 199 109 THR CA C 59.972 0.3 1 390 199 109 THR N N 116.258 0.3 1 391 200 110 GLU H H 9.212 0.020 1 392 200 110 GLU C C 179.289 0.3 1 393 200 110 GLU CA C 59.729 0.3 1 394 200 110 GLU N N 120.191 0.3 1 395 201 111 THR H H 7.971 0.020 1 396 201 111 THR C C 175.660 0.3 1 397 201 111 THR CA C 66.464 0.3 1 398 201 111 THR N N 116.924 0.3 1 399 202 112 ASP H H 7.534 0.020 1 400 202 112 ASP C C 177.623 0.3 1 401 202 112 ASP CA C 57.586 0.3 1 402 202 112 ASP N N 120.187 0.3 1 403 203 113 VAL H H 8.267 0.020 1 404 203 113 VAL C C 177.442 0.3 1 405 203 113 VAL CA C 67.418 0.3 1 406 203 113 VAL N N 119.964 0.3 1 407 204 114 LYS H H 7.693 0.020 1 408 204 114 LYS C C 180.059 0.3 1 409 204 114 LYS CA C 58.716 0.3 1 410 204 114 LYS N N 119.337 0.3 1 411 205 115 MET H H 8.189 0.020 1 412 205 115 MET C C 178.189 0.3 1 413 205 115 MET CA C 59.262 0.3 1 414 205 115 MET N N 118.700 0.3 1 415 206 116 MET H H 8.709 0.020 1 416 206 116 MET C C 177.809 0.3 1 417 206 116 MET CA C 59.542 0.3 1 418 206 116 MET N N 118.470 0.3 1 419 207 117 GLU H H 8.580 0.020 1 420 207 117 GLU C C 178.747 0.3 1 421 207 117 GLU CA C 60.219 0.3 1 422 207 117 GLU N N 119.114 0.3 1 423 208 118 ARG H H 7.293 0.020 1 424 208 118 ARG C C 179.322 0.3 1 425 208 118 ARG CA C 58.010 0.3 1 426 208 118 ARG N N 117.018 0.3 1 427 209 119 VAL H H 8.291 0.020 1 428 209 119 VAL C C 177.048 0.3 1 429 209 119 VAL CA C 65.264 0.3 1 430 209 119 VAL N N 119.393 0.3 1 431 210 120 VAL H H 9.166 0.020 1 432 210 120 VAL C C 177.606 0.3 1 433 210 120 VAL CA C 65.960 0.3 1 434 210 120 VAL N N 121.720 0.3 1 435 211 121 GLU H H 8.015 0.020 1 436 211 121 GLU C C 177.525 0.3 1 437 211 121 GLU CA C 60.776 0.3 1 438 211 121 GLU N N 120.934 0.3 1 439 212 122 GLN H H 7.113 0.020 1 440 212 122 GLN C C 179.235 0.3 1 441 212 122 GLN CA C 58.716 0.3 1 442 212 122 GLN N N 115.538 0.3 1 443 213 123 MET H H 8.173 0.020 1 444 213 123 MET C C 178.472 0.3 1 445 213 123 MET CA C 59.762 0.3 1 446 213 123 MET N N 119.820 0.3 1 447 214 124 CYS H H 9.231 0.020 1 448 214 124 CYS C C 176.878 0.3 1 449 214 124 CYS CA C 59.585 0.3 1 450 214 124 CYS N N 119.496 0.3 1 451 215 125 VAL H H 8.522 0.020 1 452 215 125 VAL C C 178.003 0.3 1 453 215 125 VAL CA C 67.270 0.3 1 454 215 125 VAL N N 123.771 0.3 1 455 216 126 THR H H 8.155 0.020 1 456 216 126 THR C C 176.772 0.3 1 457 216 126 THR CA C 66.652 0.3 1 458 216 126 THR N N 118.436 0.3 1 459 217 127 GLN H H 8.760 0.020 1 460 217 127 GLN C C 177.455 0.3 1 461 217 127 GLN CA C 58.202 0.3 1 462 217 127 GLN N N 122.759 0.3 1 463 218 128 TYR H H 8.621 0.020 1 464 218 128 TYR C C 178.183 0.3 1 465 218 128 TYR CA C 61.507 0.3 1 466 218 128 TYR N N 120.450 0.3 1 467 219 129 GLN H H 8.241 0.020 1 468 219 129 GLN C C 178.500 0.3 1 469 219 129 GLN CA C 58.662 0.3 1 470 219 129 GLN N N 119.888 0.3 1 471 220 130 LYS H H 7.833 0.020 1 472 220 130 LYS C C 179.783 0.3 1 473 220 130 LYS CA C 58.892 0.3 1 474 220 130 LYS N N 119.460 0.3 1 475 221 131 GLU H H 8.432 0.020 1 476 221 131 GLU C C 179.220 0.3 1 477 221 131 GLU CA C 57.470 0.3 1 478 221 131 GLU N N 118.773 0.3 1 479 222 132 SER H H 8.472 0.020 1 480 222 132 SER C C 175.842 0.3 1 481 222 132 SER CA C 60.818 0.3 1 482 222 132 SER N N 115.548 0.3 1 483 223 133 GLN H H 7.586 0.020 1 484 223 133 GLN C C 177.255 0.3 1 485 223 133 GLN CA C 57.760 0.3 1 486 223 133 GLN N N 121.032 0.3 1 487 224 134 ALA H H 7.595 0.020 1 488 224 134 ALA C C 179.128 0.3 1 489 224 134 ALA CA C 53.751 0.3 1 490 224 134 ALA N N 120.791 0.3 1 491 225 135 TYR H H 7.964 0.020 1 492 225 135 TYR C C 177.349 0.3 1 493 225 135 TYR CA C 59.719 0.3 1 494 225 135 TYR N N 119.516 0.3 1 495 226 136 TYR H H 8.066 0.020 1 496 226 136 TYR C C 177.072 0.3 1 497 226 136 TYR CA C 59.406 0.3 1 498 226 136 TYR N N 119.711 0.3 1 499 227 137 ASP H H 8.262 0.020 1 500 227 137 ASP C C 177.350 0.3 1 501 227 137 ASP CA C 54.938 0.3 1 502 227 137 ASP N N 121.078 0.3 1 503 228 138 GLY H H 7.852 0.020 1 504 228 138 GLY C C 174.438 0.3 1 505 228 138 GLY CA C 45.160 0.3 1 506 228 138 GLY N N 108.090 0.3 1 507 229 139 ARG H H 7.825 0.020 1 508 229 139 ARG C C 176.214 0.3 1 509 229 139 ARG CA C 55.725 0.3 1 510 229 139 ARG N N 120.215 0.3 1 511 230 140 ARG H H 8.239 0.020 1 512 230 140 ARG C C 175.503 0.3 1 513 230 140 ARG CA C 55.494 0.3 1 514 230 140 ARG N N 122.693 0.3 1 515 231 141 SER H H 8.008 0.020 1 516 231 141 SER C C 178.605 0.3 1 517 231 141 SER CA C 59.522 0.3 1 518 231 141 SER N N 122.973 0.3 1 stop_ save_