data_16076 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse prion protein fragment mPrP[P102L](91-231) at pH 7.0 ; _BMRB_accession_number 16076 _BMRB_flat_file_name bmr16076.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" 268 "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)' 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_P102L $mPrP90_P102L 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_P102L _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPrP90_P102L _Molecular_mass 16163.8 _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 ; QGGGTHNQWNKLSKPKTNLK HVAGAAAAGAVVGGLGGYML 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 LEU 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 MET 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_P102L 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_P102L '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_P102L 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_P102L _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 C C 176.532 0.3 1 2 91 1 GLN CA C 55.625 0.3 1 3 92 2 GLY H H 8.521 0.020 1 4 92 2 GLY C C 174.743 0.3 1 5 92 2 GLY CA C 44.901 0.3 1 6 92 2 GLY N N 110.584 0.3 1 7 93 3 GLY H H 8.384 0.020 1 8 93 3 GLY C C 174.756 0.3 1 9 93 3 GLY CA C 44.946 0.3 1 10 93 3 GLY N N 109.222 0.3 1 11 94 4 GLY H H 8.411 0.020 1 12 94 4 GLY C C 174.527 0.3 1 13 94 4 GLY CA C 44.801 0.3 1 14 94 4 GLY N N 109.137 0.3 1 15 95 5 THR H H 8.178 0.020 1 16 95 5 THR CA C 61.617 0.3 1 17 95 5 THR N N 113.664 0.3 1 18 97 7 ASN C C 175.273 0.3 1 19 97 7 ASN CA C 52.849 0.3 1 20 98 8 GLN H H 8.384 0.020 1 21 98 8 GLN C C 175.919 0.3 1 22 98 8 GLN CA C 56.011 0.3 1 23 98 8 GLN N N 120.572 0.3 1 24 99 9 TRP H H 8.098 0.020 1 25 99 9 TRP C C 176.117 0.3 1 26 99 9 TRP CA C 56.976 0.3 1 27 99 9 TRP N N 121.328 0.3 1 28 100 10 ASN H H 8.119 0.020 1 29 100 10 ASN C C 175.062 0.3 1 30 100 10 ASN CA C 52.927 0.3 1 31 100 10 ASN N N 120.111 0.3 1 32 101 11 LYS H H 8.069 0.020 1 33 101 11 LYS C C 176.560 0.3 1 34 101 11 LYS CA C 56.326 0.3 1 35 101 11 LYS N N 121.498 0.3 1 36 102 12 LEU H H 8.156 0.020 1 37 102 12 LEU C C 177.331 0.3 1 38 102 12 LEU CA C 54.671 0.3 1 39 102 12 LEU N N 122.218 0.3 1 40 103 13 SER H H 8.194 0.020 1 41 103 13 SER C C 173.944 0.3 1 42 103 13 SER CA C 57.825 0.3 1 43 103 13 SER N N 117.169 0.3 1 44 104 14 LYS H H 8.307 0.020 1 45 104 14 LYS C C 174.355 0.3 1 46 104 14 LYS CA C 53.844 0.3 1 47 104 14 LYS N N 124.662 0.3 1 48 105 15 PRO C C 176.869 0.3 1 49 105 15 PRO CA C 62.643 0.3 1 50 106 16 LYS H H 8.568 0.020 1 51 106 16 LYS C C 176.817 0.3 1 52 106 16 LYS CA C 55.970 0.3 1 53 106 16 LYS N N 122.346 0.3 1 54 107 17 THR H H 8.183 0.020 1 55 107 17 THR C C 173.961 0.3 1 56 107 17 THR CA C 61.222 0.3 1 57 107 17 THR N N 115.569 0.3 1 58 108 18 ASN H H 8.572 0.020 1 59 108 18 ASN C C 174.998 0.3 1 60 108 18 ASN CA C 52.620 0.3 1 61 108 18 ASN N N 121.856 0.3 1 62 109 19 LEU H H 8.284 0.020 1 63 109 19 LEU C C 177.214 0.3 1 64 109 19 LEU CA C 54.881 0.3 1 65 109 19 LEU N N 123.320 0.3 1 66 110 20 LYS H H 8.307 0.020 1 67 110 20 LYS C C 176.215 0.3 1 68 110 20 LYS CA C 55.994 0.3 1 69 110 20 LYS N N 122.014 0.3 1 70 111 21 HIS H H 8.287 0.020 1 71 111 21 HIS C C 175.308 0.3 1 72 111 21 HIS CA C 55.896 0.3 1 73 111 21 HIS N N 121.437 0.3 1 74 112 22 VAL H H 8.040 0.020 1 75 112 22 VAL C C 175.543 0.3 1 76 112 22 VAL CA C 61.627 0.3 1 77 112 22 VAL N N 123.062 0.3 1 78 113 23 ALA H H 8.463 0.020 1 79 113 23 ALA C C 178.202 0.3 1 80 113 23 ALA CA C 52.293 0.3 1 81 113 23 ALA N N 128.376 0.3 1 82 114 24 GLY H H 8.425 0.020 1 83 114 24 GLY C C 173.980 0.3 1 84 114 24 GLY CA C 44.786 0.3 1 85 114 24 GLY N N 108.962 0.3 1 86 115 25 ALA H H 8.167 0.020 1 87 115 25 ALA C C 177.707 0.3 1 88 115 25 ALA CA C 52.182 0.3 1 89 115 25 ALA N N 124.124 0.3 1 90 116 26 ALA H H 8.327 0.020 1 91 116 26 ALA C C 177.623 0.3 1 92 116 26 ALA CA C 52.083 0.3 1 93 116 26 ALA N N 123.452 0.3 1 94 117 27 ALA H H 8.237 0.020 1 95 117 27 ALA C C 177.605 0.3 1 96 117 27 ALA CA C 52.111 0.3 1 97 117 27 ALA N N 123.596 0.3 1 98 118 28 ALA H H 8.268 0.020 1 99 118 28 ALA C C 178.257 0.3 1 100 118 28 ALA CA C 52.342 0.3 1 101 118 28 ALA N N 123.563 0.3 1 102 119 29 GLY H H 8.321 0.020 1 103 119 29 GLY C C 173.689 0.3 1 104 119 29 GLY CA C 44.786 0.3 1 105 119 29 GLY N N 108.224 0.3 1 106 120 30 ALA H H 8.101 0.020 1 107 120 30 ALA C C 177.559 0.3 1 108 120 30 ALA CA C 51.955 0.3 1 109 120 30 ALA N N 123.834 0.3 1 110 121 31 VAL H H 8.167 0.020 1 111 121 31 VAL C C 176.363 0.3 1 112 121 31 VAL CA C 61.767 0.3 1 113 121 31 VAL N N 119.904 0.3 1 114 122 32 VAL H H 8.321 0.020 1 115 122 32 VAL C C 176.647 0.3 1 116 122 32 VAL CA C 62.099 0.3 1 117 122 32 VAL N N 125.034 0.3 1 118 123 33 GLY H H 8.612 0.020 1 119 123 33 GLY C C 174.735 0.3 1 120 123 33 GLY CA C 44.956 0.3 1 121 123 33 GLY N N 113.686 0.3 1 122 124 34 GLY H H 8.308 0.020 1 123 124 34 GLY C C 174.350 0.3 1 124 124 34 GLY CA C 44.911 0.3 1 125 124 34 GLY N N 108.731 0.3 1 126 125 35 LEU H H 8.242 0.020 1 127 125 35 LEU C C 177.940 0.3 1 128 125 35 LEU CA C 54.525 0.3 1 129 125 35 LEU N N 122.020 0.3 1 130 126 36 GLY H H 8.583 0.020 1 131 126 36 GLY C C 174.807 0.3 1 132 126 36 GLY CA C 45.873 0.3 1 133 126 36 GLY N N 110.217 0.3 1 134 127 37 GLY H H 8.417 0.020 1 135 127 37 GLY C C 173.944 0.3 1 136 127 37 GLY CA C 44.792 0.3 1 137 127 37 GLY N N 109.543 0.3 1 138 128 38 TYR H H 7.870 0.020 1 139 128 38 TYR C C 175.720 0.3 1 140 128 38 TYR CA C 57.968 0.3 1 141 128 38 TYR N N 118.246 0.3 1 142 129 39 MET H H 9.139 0.020 1 143 129 39 MET C C 172.942 0.3 1 144 129 39 MET CA C 53.242 0.3 1 145 129 39 MET N N 121.729 0.3 1 146 130 40 LEU H H 8.068 0.020 1 147 130 40 LEU C C 178.143 0.3 1 148 130 40 LEU CA C 52.784 0.3 1 149 130 40 LEU N N 121.435 0.3 1 150 131 41 GLY H H 9.435 0.020 1 151 131 41 GLY C C 172.788 0.3 1 152 131 41 GLY CA C 44.558 0.3 1 153 131 41 GLY N N 115.480 0.3 1 154 132 42 SER H H 8.347 0.020 1 155 132 42 SER C C 174.946 0.3 1 156 132 42 SER CA C 58.170 0.3 1 157 132 42 SER N N 113.999 0.3 1 158 133 43 ALA H H 8.753 0.020 1 159 133 43 ALA C C 177.508 0.3 1 160 133 43 ALA CA C 52.539 0.3 1 161 133 43 ALA N N 125.799 0.3 1 162 134 44 MET H H 8.805 0.020 1 163 134 44 MET C C 175.593 0.3 1 164 134 44 MET CA C 53.523 0.3 1 165 134 44 MET N N 121.603 0.3 1 166 135 45 SER H H 8.469 0.020 1 167 135 45 SER C C 174.426 0.3 1 168 135 45 SER CA C 58.208 0.3 1 169 135 45 SER N N 116.482 0.3 1 170 136 46 ARG H H 8.706 0.020 1 171 136 46 ARG C C 174.643 0.3 1 172 136 46 ARG CA C 54.412 0.3 1 173 136 46 ARG N N 127.086 0.3 1 174 137 47 PRO C C 175.656 0.3 1 175 137 47 PRO CA C 61.990 0.3 1 176 138 48 MET H H 8.725 0.020 1 177 138 48 MET C C 174.997 0.3 1 178 138 48 MET CA C 53.709 0.3 1 179 138 48 MET N N 122.177 0.3 1 180 139 49 ILE H H 6.583 0.020 1 181 139 49 ILE C C 173.107 0.3 1 182 139 49 ILE CA C 58.811 0.3 1 183 139 49 ILE N N 124.646 0.3 1 184 140 50 HIS H H 8.123 0.020 1 185 140 50 HIS C C 175.289 0.3 1 186 140 50 HIS CA C 54.386 0.3 1 187 140 50 HIS N N 123.257 0.3 1 188 141 51 PHE H H 10.377 0.020 1 189 141 51 PHE C C 177.085 0.3 1 190 141 51 PHE CA C 59.232 0.3 1 191 141 51 PHE N N 125.395 0.3 1 192 142 52 GLY H H 8.948 0.020 1 193 142 52 GLY C C 173.221 0.3 1 194 142 52 GLY CA C 45.354 0.3 1 195 142 52 GLY N N 109.359 0.3 1 196 143 53 ASN H H 7.256 0.020 1 197 143 53 ASN C C 174.325 0.3 1 198 143 53 ASN CA C 52.137 0.3 1 199 143 53 ASN N N 114.522 0.3 1 200 144 54 ASP H H 9.029 0.020 1 201 144 54 ASP C C 177.902 0.3 1 202 144 54 ASP CA C 57.541 0.3 1 203 144 54 ASP N N 123.490 0.3 1 204 145 55 TRP H H 8.563 0.020 1 205 145 55 TRP C C 179.122 0.3 1 206 145 55 TRP CA C 61.496 0.3 1 207 145 55 TRP N N 120.558 0.3 1 208 146 56 GLU H H 8.137 0.020 1 209 146 56 GLU C C 177.699 0.3 1 210 146 56 GLU CA C 59.605 0.3 1 211 146 56 GLU N N 120.796 0.3 1 212 147 57 ASP H H 7.917 0.020 1 213 147 57 ASP C C 179.038 0.3 1 214 147 57 ASP CA C 58.219 0.3 1 215 147 57 ASP N N 119.066 0.3 1 216 148 58 ARG H H 8.037 0.020 1 217 148 58 ARG C C 177.597 0.3 1 218 148 58 ARG CA C 59.369 0.3 1 219 148 58 ARG N N 119.975 0.3 1 220 149 59 TYR H H 8.263 0.020 1 221 149 59 TYR C C 179.569 0.3 1 222 149 59 TYR CA C 61.792 0.3 1 223 149 59 TYR N N 121.098 0.3 1 224 150 60 TYR H H 9.032 0.020 1 225 150 60 TYR C C 176.976 0.3 1 226 150 60 TYR CA C 62.740 0.3 1 227 150 60 TYR N N 120.754 0.3 1 228 151 61 ARG H H 7.889 0.020 1 229 151 61 ARG C C 179.119 0.3 1 230 151 61 ARG CA C 59.623 0.3 1 231 151 61 ARG N N 117.536 0.3 1 232 152 62 GLU H H 7.924 0.020 1 233 152 62 GLU C C 177.572 0.3 1 234 152 62 GLU CA C 57.497 0.3 1 235 152 62 GLU N N 116.096 0.3 1 236 153 63 ASN H H 7.563 0.020 1 237 153 63 ASN C C 175.469 0.3 1 238 153 63 ASN CA C 54.554 0.3 1 239 153 63 ASN N N 115.424 0.3 1 240 154 64 MET H H 7.892 0.020 1 241 154 64 MET C C 176.316 0.3 1 242 154 64 MET CA C 58.687 0.3 1 243 154 64 MET N N 118.620 0.3 1 244 155 65 TYR H H 7.597 0.020 1 245 155 65 TYR C C 175.889 0.3 1 246 155 65 TYR CA C 58.900 0.3 1 247 155 65 TYR N N 116.821 0.3 1 248 156 66 ARG H H 7.522 0.020 1 249 156 66 ARG C C 176.785 0.3 1 250 156 66 ARG CA C 55.869 0.3 1 251 156 66 ARG N N 119.167 0.3 1 252 157 67 TYR H H 7.460 0.020 1 253 157 67 TYR C C 172.791 0.3 1 254 157 67 TYR CA C 52.322 0.3 1 255 157 67 TYR N N 121.714 0.3 1 256 158 68 PRO C C 175.025 0.3 1 257 158 68 PRO CA C 63.154 0.3 1 258 159 69 ASN H H 8.648 0.020 1 259 159 69 ASN C C 172.853 0.3 1 260 159 69 ASN CA C 51.612 0.3 1 261 159 69 ASN N N 116.480 0.3 1 262 160 70 GLN H H 7.299 0.020 1 263 160 70 GLN C C 174.996 0.3 1 264 160 70 GLN CA C 53.789 0.3 1 265 160 70 GLN N N 114.502 0.3 1 266 161 71 VAL H H 8.480 0.020 1 267 161 71 VAL C C 174.122 0.3 1 268 161 71 VAL CA C 58.266 0.3 1 269 161 71 VAL N N 113.008 0.3 1 270 162 72 TYR H H 8.484 0.020 1 271 162 72 TYR C C 174.707 0.3 1 272 162 72 TYR CA C 56.717 0.3 1 273 162 72 TYR N N 121.827 0.3 1 274 163 73 TYR H H 8.520 0.020 1 275 163 73 TYR C C 173.576 0.3 1 276 163 73 TYR CA C 55.556 0.3 1 277 163 73 TYR N N 111.235 0.3 1 278 164 74 ARG H H 7.951 0.020 1 279 164 74 ARG C C 178.149 0.3 1 280 164 74 ARG CA C 53.112 0.3 1 281 164 74 ARG N N 120.885 0.3 1 282 170 80 SER CA C 58.497 0.3 1 283 171 81 ASN C C 174.000 0.3 1 284 171 81 ASN CA C 51.957 0.3 1 285 172 82 GLN H H 8.672 0.020 1 286 172 82 GLN C C 176.862 0.3 1 287 172 82 GLN CA C 58.796 0.3 1 288 172 82 GLN N N 120.198 0.3 1 289 173 83 ASN H H 8.425 0.020 1 290 173 83 ASN C C 177.703 0.3 1 291 173 83 ASN CA C 56.131 0.3 1 292 173 83 ASN N N 117.395 0.3 1 293 174 84 ASN H H 8.593 0.020 1 294 174 84 ASN C C 177.348 0.3 1 295 174 84 ASN CA C 55.716 0.3 1 296 174 84 ASN N N 118.482 0.3 1 297 175 85 PHE C C 177.506 0.3 1 298 175 85 PHE CA C 60.445 0.3 1 299 176 86 VAL H H 8.903 0.020 1 300 176 86 VAL C C 176.678 0.3 1 301 176 86 VAL CA C 67.350 0.3 1 302 176 86 VAL N N 120.611 0.3 1 303 177 87 HIS H H 8.381 0.020 1 304 177 87 HIS C C 177.598 0.3 1 305 177 87 HIS CA C 59.522 0.3 1 306 177 87 HIS N N 117.907 0.3 1 307 178 88 ASP H H 7.431 0.020 1 308 178 88 ASP C C 175.850 0.3 1 309 178 88 ASP CA C 56.783 0.3 1 310 178 88 ASP N N 118.318 0.3 1 311 179 89 CYS H H 8.164 0.020 1 312 179 89 CYS C C 177.519 0.3 1 313 179 89 CYS CA C 58.334 0.3 1 314 179 89 CYS N N 119.164 0.3 1 315 180 90 VAL H H 9.303 0.020 1 316 180 90 VAL C C 177.243 0.3 1 317 180 90 VAL CA C 65.743 0.3 1 318 180 90 VAL N N 125.178 0.3 1 319 181 91 ASN H H 7.602 0.020 1 320 181 91 ASN C C 178.478 0.3 1 321 181 91 ASN CA C 56.380 0.3 1 322 181 91 ASN N N 116.544 0.3 1 323 182 92 ILE H H 8.805 0.020 1 324 182 92 ILE C C 177.965 0.3 1 325 182 92 ILE CA C 61.736 0.3 1 326 182 92 ILE N N 119.190 0.3 1 327 183 93 THR H H 8.169 0.020 1 328 183 93 THR C C 177.676 0.3 1 329 183 93 THR CA C 68.146 0.3 1 330 183 93 THR N N 118.249 0.3 1 331 184 94 ILE H H 8.481 0.020 1 332 184 94 ILE C C 178.820 0.3 1 333 184 94 ILE CA C 66.201 0.3 1 334 184 94 ILE N N 121.317 0.3 1 335 185 95 LYS H H 8.150 0.020 1 336 185 95 LYS C C 179.030 0.3 1 337 185 95 LYS CA C 59.835 0.3 1 338 185 95 LYS N N 123.761 0.3 1 339 186 96 GLN H H 8.556 0.020 1 340 186 96 GLN C C 178.649 0.3 1 341 186 96 GLN CA C 57.734 0.3 1 342 186 96 GLN N N 117.396 0.3 1 343 187 97 HIS H H 8.520 0.020 1 344 187 97 HIS C C 178.754 0.3 1 345 187 97 HIS CA C 59.502 0.3 1 346 187 97 HIS N N 120.416 0.3 1 347 188 98 THR H H 8.533 0.020 1 348 188 98 THR C C 176.494 0.3 1 349 188 98 THR CA C 66.445 0.3 1 350 188 98 THR N N 115.461 0.3 1 351 189 99 VAL H H 8.105 0.020 1 352 189 99 VAL C C 178.557 0.3 1 353 189 99 VAL CA C 65.964 0.3 1 354 189 99 VAL N N 123.510 0.3 1 355 190 100 THR H H 8.220 0.020 1 356 190 100 THR C C 176.757 0.3 1 357 190 100 THR CA C 65.138 0.3 1 358 190 100 THR N N 115.553 0.3 1 359 191 101 THR H H 8.055 0.020 1 360 191 101 THR C C 177.138 0.3 1 361 191 101 THR CA C 65.015 0.3 1 362 191 101 THR N N 114.882 0.3 1 363 192 102 THR H H 8.288 0.020 1 364 192 102 THR C C 178.005 0.3 1 365 192 102 THR CA C 65.144 0.3 1 366 192 102 THR N N 118.607 0.3 1 367 193 103 THR H H 7.833 0.020 1 368 193 103 THR C C 175.140 0.3 1 369 193 103 THR CA C 64.448 0.3 1 370 193 103 THR N N 116.677 0.3 1 371 194 104 LYS H H 7.468 0.020 1 372 194 104 LYS C C 176.704 0.3 1 373 194 104 LYS CA C 55.792 0.3 1 374 194 104 LYS N N 119.843 0.3 1 375 195 105 GLY H H 7.925 0.020 1 376 195 105 GLY C C 174.234 0.3 1 377 195 105 GLY CA C 45.135 0.3 1 378 195 105 GLY N N 108.097 0.3 1 379 196 106 GLU H H 7.457 0.020 1 380 196 106 GLU C C 174.891 0.3 1 381 196 106 GLU CA C 55.244 0.3 1 382 196 106 GLU N N 120.439 0.3 1 383 197 107 ASN H H 8.563 0.020 1 384 197 107 ASN C C 173.577 0.3 1 385 197 107 ASN CA C 52.420 0.3 1 386 197 107 ASN N N 119.665 0.3 1 387 198 108 PHE H H 8.789 0.020 1 388 198 108 PHE C C 176.678 0.3 1 389 198 108 PHE CA C 56.084 0.3 1 390 198 108 PHE N N 121.994 0.3 1 391 199 109 THR H H 9.613 0.020 1 392 199 109 THR C C 175.456 0.3 1 393 199 109 THR CA C 60.020 0.3 1 394 199 109 THR N N 116.218 0.3 1 395 200 110 GLU H H 9.212 0.020 1 396 200 110 GLU C C 179.240 0.3 1 397 200 110 GLU CA C 59.724 0.3 1 398 200 110 GLU N N 120.174 0.3 1 399 201 111 THR H H 7.970 0.020 1 400 201 111 THR C C 175.640 0.3 1 401 201 111 THR CA C 66.527 0.3 1 402 201 111 THR N N 116.886 0.3 1 403 202 112 ASP H H 7.537 0.020 1 404 202 112 ASP C C 177.624 0.3 1 405 202 112 ASP CA C 57.645 0.3 1 406 202 112 ASP N N 120.137 0.3 1 407 203 113 VAL H H 8.268 0.020 1 408 203 113 VAL C C 177.387 0.3 1 409 203 113 VAL CA C 67.484 0.3 1 410 203 113 VAL N N 119.923 0.3 1 411 204 114 LYS H H 7.699 0.020 1 412 204 114 LYS C C 180.042 0.3 1 413 204 114 LYS CA C 58.796 0.3 1 414 204 114 LYS N N 119.301 0.3 1 415 205 115 MET H H 8.181 0.020 1 416 205 115 MET C C 178.189 0.3 1 417 205 115 MET CA C 59.397 0.3 1 418 205 115 MET N N 118.651 0.3 1 419 206 116 MET H H 8.709 0.020 1 420 206 116 MET C C 177.813 0.3 1 421 206 116 MET CA C 59.682 0.3 1 422 206 116 MET N N 118.450 0.3 1 423 207 117 GLU H H 8.587 0.020 1 424 207 117 GLU C C 178.728 0.3 1 425 207 117 GLU CA C 60.334 0.3 1 426 207 117 GLU N N 119.118 0.3 1 427 208 118 ARG H H 7.287 0.020 1 428 208 118 ARG C C 179.319 0.3 1 429 208 118 ARG CA C 58.076 0.3 1 430 208 118 ARG N N 117.007 0.3 1 431 209 119 VAL H H 8.273 0.020 1 432 209 119 VAL C C 177.006 0.3 1 433 209 119 VAL CA C 65.361 0.3 1 434 209 119 VAL N N 119.326 0.3 1 435 210 120 VAL H H 9.172 0.020 1 436 210 120 VAL C C 177.571 0.3 1 437 210 120 VAL CA C 66.015 0.3 1 438 210 120 VAL N N 121.593 0.3 1 439 211 121 GLU H H 8.011 0.020 1 440 211 121 GLU C C 177.519 0.3 1 441 211 121 GLU CA C 60.857 0.3 1 442 211 121 GLU N N 120.957 0.3 1 443 212 122 GLN H H 7.085 0.020 1 444 212 122 GLN C C 179.174 0.3 1 445 212 122 GLN CA C 58.793 0.3 1 446 212 122 GLN N N 115.478 0.3 1 447 213 123 MET H H 8.129 0.020 1 448 213 123 MET C C 178.544 0.3 1 449 213 123 MET CA C 59.592 0.3 1 450 213 123 MET N N 119.602 0.3 1 451 214 124 CYS H H 9.236 0.020 1 452 214 124 CYS C C 176.901 0.3 1 453 214 124 CYS CA C 59.733 0.3 1 454 214 124 CYS N N 119.706 0.3 1 455 215 125 VAL H H 8.510 0.020 1 456 215 125 VAL C C 178.044 0.3 1 457 215 125 VAL CA C 67.388 0.3 1 458 215 125 VAL N N 123.899 0.3 1 459 216 126 THR H H 8.128 0.020 1 460 216 126 THR C C 176.692 0.3 1 461 216 126 THR CA C 66.668 0.3 1 462 216 126 THR N N 118.374 0.3 1 463 217 127 GLN H H 8.732 0.020 1 464 217 127 GLN C C 177.421 0.3 1 465 217 127 GLN CA C 58.308 0.3 1 466 217 127 GLN N N 122.857 0.3 1 467 218 128 TYR H H 8.625 0.020 1 468 218 128 TYR C C 178.018 0.3 1 469 218 128 TYR CA C 61.627 0.3 1 470 218 128 TYR N N 120.470 0.3 1 471 219 129 GLN H H 8.253 0.020 1 472 219 129 GLN C C 178.556 0.3 1 473 219 129 GLN CA C 58.690 0.3 1 474 219 129 GLN N N 119.889 0.3 1 475 220 130 LYS H H 7.873 0.020 1 476 220 130 LYS C C 179.778 0.3 1 477 220 130 LYS CA C 59.000 0.3 1 478 220 130 LYS N N 119.649 0.3 1 479 221 131 GLU H H 8.440 0.020 1 480 221 131 GLU C C 179.214 0.3 1 481 221 131 GLU CA C 57.489 0.3 1 482 221 131 GLU N N 118.562 0.3 1 483 222 132 SER H H 8.425 0.020 1 484 222 132 SER C C 175.640 0.3 1 485 222 132 SER CA C 60.796 0.3 1 486 222 132 SER N N 115.426 0.3 1 487 223 133 GLN H H 7.606 0.020 1 488 223 133 GLN C C 177.164 0.3 1 489 223 133 GLN CA C 57.737 0.3 1 490 223 133 GLN N N 120.976 0.3 1 491 224 134 ALA H H 7.607 0.020 1 492 224 134 ALA C C 178.964 0.3 1 493 224 134 ALA CA C 53.711 0.3 1 494 224 134 ALA N N 120.917 0.3 1 495 225 135 TYR H H 7.945 0.020 1 496 225 135 TYR C C 177.164 0.3 1 497 225 135 TYR CA C 59.579 0.3 1 498 225 135 TYR N N 119.382 0.3 1 499 226 136 TYR H H 8.058 0.020 1 500 226 136 TYR C C 176.887 0.3 1 501 226 136 TYR CA C 59.377 0.3 1 502 226 136 TYR N N 119.886 0.3 1 503 227 137 ASP H H 8.250 0.020 1 504 227 137 ASP C C 177.243 0.3 1 505 227 137 ASP CA C 54.903 0.3 1 506 227 137 ASP N N 121.202 0.3 1 507 228 138 GLY H H 7.862 0.020 1 508 228 138 GLY C C 174.431 0.3 1 509 228 138 GLY CA C 45.250 0.3 1 510 228 138 GLY N N 108.176 0.3 1 511 229 139 ARG H H 7.844 0.020 1 512 229 139 ARG C C 176.205 0.3 1 513 229 139 ARG CA C 55.787 0.3 1 514 229 139 ARG N N 120.252 0.3 1 515 230 140 ARG H H 8.253 0.020 1 516 230 140 ARG C C 175.471 0.3 1 517 230 140 ARG CA C 55.559 0.3 1 518 230 140 ARG N N 122.740 0.3 1 519 231 141 SER H H 8.010 0.020 1 520 231 141 SER C C 178.635 0.3 1 521 231 141 SER CA C 59.611 0.3 1 522 231 141 SER N N 123.000 0.3 1 stop_ save_