data_26958 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of mouse prion (23-231) at pH 4 and 37C ; _BMRB_accession_number 26958 _BMRB_flat_file_name bmr26958.str _Entry_type original _Submission_date 2016-11-25 _Accession_date 2016-11-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sengupta Ishita . . 2 Bhate Suhas . . 3 Udgaonkar Jayant . . 4 Das Ranabir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 183 "13C chemical shifts" 532 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-10 original BMRB . stop_ _Original_release_date 2016-11-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Salt-Mediated Oligomerization of the Mouse Prion Protein Monitored by Real-Time NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28502793 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sengupta Ishita . . 2 Bhate Suhas H. . 3 Das Ranabir . . 4 Udgaonkar Jayant B. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 429 _Journal_issue 12 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1852 _Page_last 1872 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Prion monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Prion monomer' $MoPrp stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MoPrp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MoPrp _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; MKKRPKPGGWNTGGSRYPGQ GSPGGNRYPPQGGTWGQPHG GGWGQPHGGSWGQPHGGSWG QPHGGGWGQGGGTHNQWNKP SKPKTNLKHVAGAAAAGAVV GGLGGYMLGSAMSRPMIHFG NDWEDRYYRENMYRYPNQVY YRPVDQYSNQNNFVHDCVNI TIKQHTVTTTTKGENFTETD VKMMERVVEQMCVTQYQKES QAYYDGRRSSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 MET 2 23 LYS 3 24 LYS 4 25 ARG 5 26 PRO 6 27 LYS 7 28 PRO 8 29 GLY 9 30 GLY 10 31 TRP 11 32 ASN 12 33 THR 13 34 GLY 14 35 GLY 15 36 SER 16 37 ARG 17 38 TYR 18 39 PRO 19 40 GLY 20 41 GLN 21 42 GLY 22 43 SER 23 44 PRO 24 45 GLY 25 46 GLY 26 47 ASN 27 48 ARG 28 49 TYR 29 50 PRO 30 51 PRO 31 52 GLN 32 53 GLY 33 54 GLY 34 55 THR 35 56 TRP 36 57 GLY 37 58 GLN 38 59 PRO 39 60 HIS 40 61 GLY 41 62 GLY 42 63 GLY 43 64 TRP 44 65 GLY 45 66 GLN 46 67 PRO 47 68 HIS 48 69 GLY 49 70 GLY 50 71 SER 51 72 TRP 52 73 GLY 53 74 GLN 54 75 PRO 55 76 HIS 56 77 GLY 57 78 GLY 58 79 SER 59 80 TRP 60 81 GLY 61 82 GLN 62 83 PRO 63 84 HIS 64 85 GLY 65 86 GLY 66 87 GLY 67 88 TRP 68 89 GLY 69 90 GLN 70 91 GLY 71 92 GLY 72 93 GLY 73 94 THR 74 95 HIS 75 96 ASN 76 97 GLN 77 98 TRP 78 99 ASN 79 100 LYS 80 101 PRO 81 102 SER 82 103 LYS 83 104 PRO 84 105 LYS 85 106 THR 86 107 ASN 87 108 LEU 88 109 LYS 89 110 HIS 90 111 VAL 91 112 ALA 92 113 GLY 93 114 ALA 94 115 ALA 95 116 ALA 96 117 ALA 97 118 GLY 98 119 ALA 99 120 VAL 100 121 VAL 101 122 GLY 102 123 GLY 103 124 LEU 104 125 GLY 105 126 GLY 106 127 TYR 107 128 MET 108 129 LEU 109 130 GLY 110 131 SER 111 132 ALA 112 133 MET 113 134 SER 114 135 ARG 115 136 PRO 116 137 MET 117 138 ILE 118 139 HIS 119 140 PHE 120 141 GLY 121 142 ASN 122 143 ASP 123 144 TRP 124 145 GLU 125 146 ASP 126 147 ARG 127 148 TYR 128 149 TYR 129 150 ARG 130 151 GLU 131 152 ASN 132 153 MET 133 154 TYR 134 155 ARG 135 156 TYR 136 157 PRO 137 158 ASN 138 159 GLN 139 160 VAL 140 161 TYR 141 162 TYR 142 163 ARG 143 164 PRO 144 165 VAL 145 166 ASP 146 167 GLN 147 168 TYR 148 169 SER 149 170 ASN 150 171 GLN 151 172 ASN 152 173 ASN 153 174 PHE 154 175 VAL 155 176 HIS 156 177 ASP 157 178 CYS 158 179 VAL 159 180 ASN 160 181 ILE 161 182 THR 162 183 ILE 163 184 LYS 164 185 GLN 165 186 HIS 166 187 THR 167 188 VAL 168 189 THR 169 190 THR 170 191 THR 171 192 THR 172 193 LYS 173 194 GLY 174 195 GLU 175 196 ASN 176 197 PHE 177 198 THR 178 199 GLU 179 200 THR 180 201 ASP 181 202 VAL 182 203 LYS 183 204 MET 184 205 MET 185 206 GLU 186 207 ARG 187 208 VAL 188 209 VAL 189 210 GLU 190 211 GLN 191 212 MET 192 213 CYS 193 214 VAL 194 215 THR 195 216 GLN 196 217 TYR 197 218 GLN 198 219 LYS 199 220 GLU 200 221 SER 201 222 GLN 202 223 ALA 203 224 TYR 204 225 TYR 205 226 ASP 206 227 GLY 207 228 ARG 208 229 ARG 209 230 SER 210 231 SER 211 232 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MoPrp Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MoPrp 'recombinant technology' . Escherichia coli . 'pET 17b' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 10mM Sodium Acetate pH 4 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MoPrp 0.5 mM '[U-98% 13C; U-98% 15N]' 'sodium acetate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _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 . M pH 4 . pH pressure 1 . atm temperature 308 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '2D 1H-13C HSQC aliphatic' 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 'Prion monomer' _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 23 2 LYS C C 175.898 0.20 1 2 23 2 LYS CA C 56.400 0.200 1 3 23 2 LYS CB C 33.200 0.200 1 4 24 3 LYS H H 8.379 0.02 1 5 24 3 LYS C C 176.109 0.20 1 6 24 3 LYS CA C 56.100 0.200 1 7 24 3 LYS CB C 33.300 0.200 1 8 24 3 LYS N N 123.695 0.20 1 9 25 4 ARG H H 8.404 0.02 1 10 25 4 ARG CA C 53.900 0.200 1 11 25 4 ARG CB C 30.300 0.200 1 12 25 4 ARG N N 124.314 0.20 1 13 26 5 PRO C C 176.435 0.20 1 14 26 5 PRO CA C 62.800 0.200 1 15 26 5 PRO CB C 32.200 0.200 1 16 27 6 LYS H H 8.274 0.02 1 17 27 6 LYS CA C 54.200 0.200 1 18 27 6 LYS CB C 32.500 0.200 1 19 27 6 LYS N N 122.576 0.20 1 20 28 7 PRO C C 177.398 0.20 1 21 28 7 PRO CA C 63.600 0.200 1 22 28 7 PRO CB C 31.900 0.200 1 23 29 8 GLY H H 8.053 0.02 1 24 29 8 GLY C C 174.458 0.20 1 25 29 8 GLY CA C 45.300 0.200 1 26 29 8 GLY N N 108.814 0.20 1 27 30 9 GLY H H 8.165 0.02 1 28 30 9 GLY C C 174.032 0.20 1 29 30 9 GLY CA C 45.200 0.200 1 30 30 9 GLY N N 108.370 0.20 1 31 31 10 TRP H H 7.974 0.02 1 32 31 10 TRP C C 176.002 0.20 1 33 31 10 TRP CA C 57.300 0.200 1 34 31 10 TRP CB C 29.500 0.200 1 35 31 10 TRP N N 120.575 0.20 1 36 32 11 ASN H H 8.228 0.02 1 37 32 11 ASN C C 175.243 0.20 1 38 32 11 ASN CA C 53.100 0.200 1 39 32 11 ASN CB C 38.600 0.200 1 40 32 11 ASN N N 120.421 0.20 1 41 33 12 THR H H 7.979 0.02 1 42 33 12 THR C C 175.255 0.20 1 43 33 12 THR CA C 62.000 0.200 1 44 33 12 THR CB C 69.500 0.200 1 45 33 12 THR N N 113.586 0.20 1 46 34 13 GLY H H 8.344 0.02 1 47 34 13 GLY C C 174.451 0.20 1 48 34 13 GLY CA C 45.300 0.200 1 49 34 13 GLY N N 110.853 0.20 1 50 35 14 GLY H H 8.126 0.02 1 51 35 14 GLY C C 174.193 0.20 1 52 35 14 GLY CA C 45.200 0.200 1 53 35 14 GLY N N 108.175 0.20 1 54 36 15 SER H H 8.135 0.02 1 55 36 15 SER C C 174.350 0.20 1 56 36 15 SER CA C 58.300 0.200 1 57 36 15 SER CB C 63.900 0.200 1 58 36 15 SER N N 115.432 0.20 1 59 37 16 ARG H H 8.212 0.02 1 60 37 16 ARG C C 175.545 0.20 1 61 37 16 ARG CA C 56.000 0.200 1 62 37 16 ARG CB C 30.800 0.200 1 63 37 16 ARG N N 122.487 0.20 1 64 38 17 TYR H H 8.069 0.02 1 65 38 17 TYR CA C 57.500 0.200 1 66 38 17 TYR CB C 38.300 0.200 1 67 38 17 TYR N N 121.601 0.20 1 68 39 18 PRO C C 176.603 0.20 1 69 39 18 PRO CA C 63.400 0.200 1 70 39 18 PRO CB C 34.200 0.200 1 71 40 19 GLY H H 8.469 0.02 1 72 40 19 GLY C C 174.153 0.20 1 73 40 19 GLY CA C 45.300 0.200 1 74 40 19 GLY N N 110.693 0.20 1 75 41 20 GLN H H 8.101 0.02 1 76 41 20 GLN C C 176.466 0.20 1 77 41 20 GLN CA C 56.000 0.200 1 78 41 20 GLN CB C 29.500 0.200 1 79 41 20 GLN N N 119.770 0.20 1 80 42 21 GLY H H 8.423 0.02 1 81 42 21 GLY C C 173.705 0.20 1 82 42 21 GLY CA C 45.100 0.200 1 83 42 21 GLY N N 110.230 0.20 1 84 43 22 SER H H 8.135 0.02 1 85 43 22 SER CA C 56.300 0.200 1 86 43 22 SER CB C 63.500 0.200 1 87 43 22 SER N N 116.527 0.20 1 88 44 23 PRO C C 177.563 0.20 1 89 44 23 PRO CA C 63.700 0.200 1 90 44 23 PRO CB C 31.900 0.200 1 91 45 24 GLY H H 8.344 0.02 1 92 45 24 GLY CA C 45.200 0.200 1 93 45 24 GLY N N 108.975 0.20 1 94 46 25 GLY H H 8.136 0.02 1 95 46 25 GLY C C 173.953 0.20 1 96 46 25 GLY CA C 45.300 0.200 1 97 46 25 GLY N N 108.378 0.20 1 98 47 26 ASN H H 8.283 0.02 1 99 47 26 ASN C C 174.964 0.20 1 100 47 26 ASN CA C 53.200 0.200 1 101 47 26 ASN CB C 38.900 0.200 1 102 47 26 ASN N N 118.492 0.20 1 103 48 27 ARG H H 8.124 0.02 1 104 48 27 ARG C C 175.450 0.20 1 105 48 27 ARG CA C 56.100 0.200 1 106 48 27 ARG CB C 30.700 0.200 1 107 48 27 ARG N N 120.993 0.20 1 108 49 28 TYR H H 8.032 0.02 1 109 49 28 TYR CA C 55.400 0.200 1 110 49 28 TYR CB C 38.100 0.200 1 111 49 28 TYR N N 121.150 0.20 1 112 51 30 PRO C C 176.783 0.20 1 113 51 30 PRO CA C 63.200 0.200 1 114 51 30 PRO CB C 31.900 0.200 1 115 52 31 GLN H H 8.436 0.02 1 116 52 31 GLN C C 174.997 0.20 1 117 52 31 GLN CA C 55.300 0.200 1 118 52 31 GLN CB C 29.200 0.200 1 119 52 31 GLN N N 118.315 0.20 1 120 53 32 GLY H H 8.326 0.02 1 121 53 32 GLY C C 174.490 0.20 1 122 53 32 GLY CA C 45.200 0.200 1 123 53 32 GLY N N 109.984 0.20 1 124 54 33 GLY H H 8.228 0.02 1 125 54 33 GLY C C 174.269 0.20 1 126 54 33 GLY CA C 45.200 0.200 1 127 54 33 GLY N N 108.578 0.20 1 128 55 34 THR H H 7.933 0.02 1 129 55 34 THR C C 174.344 0.20 1 130 55 34 THR CA C 61.700 0.200 1 131 55 34 THR CB C 69.700 0.200 1 132 55 34 THR N N 113.205 0.20 1 133 56 35 TRP H H 8.090 0.02 1 134 56 35 TRP C C 176.719 0.20 1 135 56 35 TRP CA C 57.500 0.200 1 136 56 35 TRP CB C 29.600 0.200 1 137 56 35 TRP N N 123.121 0.20 1 138 57 36 GLY H H 8.132 0.02 1 139 57 36 GLY C C 173.175 0.20 1 140 57 36 GLY CA C 45.200 0.200 1 141 57 36 GLY N N 110.611 0.20 1 142 58 37 GLN H H 7.935 0.02 1 143 58 37 GLN CA C 55.800 0.200 1 144 58 37 GLN N N 115.509 0.20 1 145 59 38 PRO C C 176.183 0.20 1 146 59 38 PRO CA C 63.800 0.200 1 147 59 38 PRO CB C 32.500 0.200 1 148 60 39 HIS H H 8.477 0.02 1 149 60 39 HIS CA C 55.800 0.200 1 150 60 39 HIS CB C 29.500 0.200 1 151 60 39 HIS N N 118.872 0.20 1 152 63 42 GLY C C 174.010 0.20 1 153 63 42 GLY CA C 45.200 0.200 1 154 64 43 TRP H H 7.952 0.02 1 155 64 43 TRP C C 176.788 0.20 1 156 64 43 TRP CA C 57.500 0.200 1 157 64 43 TRP CB C 29.600 0.200 1 158 64 43 TRP N N 120.764 0.20 1 159 65 44 GLY H H 8.184 0.02 1 160 65 44 GLY C C 173.504 0.20 1 161 65 44 GLY CA C 45.200 0.200 1 162 65 44 GLY N N 110.626 0.20 1 163 66 45 GLN H H 7.833 0.02 1 164 66 45 GLN CA C 53.600 0.200 1 165 66 45 GLN CB C 28.900 0.200 1 166 66 45 GLN N N 118.614 0.20 1 167 67 46 PRO C C 176.183 0.20 1 168 67 46 PRO CA C 62.700 0.200 1 169 67 46 PRO CB C 34.100 0.200 1 170 68 47 HIS H H 8.388 0.02 1 171 68 47 HIS CA C 55.700 0.200 1 172 68 47 HIS CB C 30.200 0.200 1 173 68 47 HIS N N 119.931 0.20 1 174 69 48 GLY H H 8.401 0.02 1 175 69 48 GLY C C 174.549 0.20 1 176 69 48 GLY CA C 45.400 0.200 1 177 69 48 GLY N N 109.840 0.20 1 178 70 49 GLY H H 8.176 0.02 1 179 70 49 GLY CA C 45.200 0.200 1 180 70 49 GLY N N 108.539 0.20 1 181 71 50 SER H H 8.070 0.02 1 182 71 50 SER C C 174.343 0.20 1 183 71 50 SER CA C 58.100 0.200 1 184 71 50 SER CB C 63.700 0.200 1 185 71 50 SER N N 115.318 0.20 1 186 72 51 TRP H H 8.094 0.02 1 187 72 51 TRP C C 176.586 0.20 1 188 72 51 TRP CA C 57.500 0.200 1 189 72 51 TRP CB C 29.600 0.200 1 190 72 51 TRP N N 122.923 0.20 1 191 73 52 GLY H H 8.104 0.02 1 192 73 52 GLY C C 173.504 0.20 1 193 73 52 GLY CA C 45.200 0.200 1 194 73 52 GLY N N 110.275 0.20 1 195 74 53 GLN H H 7.943 0.02 1 196 74 53 GLN CA C 53.600 0.200 1 197 74 53 GLN CB C 28.900 0.200 1 198 74 53 GLN N N 120.292 0.20 1 199 75 54 PRO C C 174.931 0.20 1 200 75 54 PRO CA C 63.200 0.200 1 201 75 54 PRO CB C 31.700 0.200 1 202 76 55 HIS H H 8.445 0.02 1 203 76 55 HIS C C 176.521 0.20 1 204 76 55 HIS CA C 55.300 0.200 1 205 76 55 HIS CB C 29.800 0.200 1 206 76 55 HIS N N 116.012 0.20 1 207 77 56 GLY H H 8.335 0.02 1 208 77 56 GLY C C 174.458 0.20 1 209 77 56 GLY CA C 45.300 0.200 1 210 77 56 GLY N N 109.965 0.20 1 211 78 57 GLY H H 8.152 0.02 1 212 78 57 GLY C C 174.152 0.20 1 213 78 57 GLY CA C 45.600 0.200 1 214 78 57 GLY N N 108.412 0.20 1 215 79 58 SER H H 8.065 0.02 1 216 79 58 SER C C 174.433 0.20 1 217 79 58 SER CA C 58.300 0.200 1 218 79 58 SER CB C 63.900 0.200 1 219 79 58 SER N N 119.541 0.20 1 220 80 59 TRP H H 8.244 0.02 1 221 80 59 TRP CA C 57.500 0.200 1 222 80 59 TRP CB C 29.400 0.200 1 223 80 59 TRP N N 122.651 0.20 1 224 82 61 GLN H H 8.252 0.02 1 225 82 61 GLN N N 118.466 0.20 1 226 83 62 PRO C C 176.183 0.20 1 227 83 62 PRO CA C 62.800 0.200 1 228 83 62 PRO CB C 32.200 0.200 1 229 84 63 HIS H H 8.527 0.02 1 230 84 63 HIS CA C 55.800 0.200 1 231 84 63 HIS CB C 29.500 0.200 1 232 84 63 HIS N N 119.648 0.20 1 233 85 64 GLY H H 8.335 0.02 1 234 85 64 GLY N N 110.579 0.20 1 235 87 66 GLY C C 173.061 0.20 1 236 87 66 GLY CA C 45.200 0.200 1 237 88 67 TRP H H 7.984 0.02 1 238 88 67 TRP C C 176.603 0.20 1 239 88 67 TRP CA C 57.500 0.200 1 240 88 67 TRP CB C 28.900 0.200 1 241 88 67 TRP N N 120.816 0.20 1 242 89 68 GLY H H 8.430 0.02 1 243 89 68 GLY C C 173.827 0.20 1 244 89 68 GLY CA C 45.500 0.200 1 245 89 68 GLY N N 110.660 0.20 1 246 90 69 GLN H H 8.270 0.02 1 247 90 69 GLN C C 176.943 0.20 1 248 90 69 GLN CA C 57.500 0.200 1 249 90 69 GLN CB C 28.900 0.200 1 250 90 69 GLN N N 119.704 0.20 1 251 91 70 GLY H H 8.236 0.02 1 252 91 70 GLY N N 110.706 0.20 1 253 93 72 GLY C C 174.444 0.20 1 254 93 72 GLY CA C 45.200 0.200 1 255 94 73 THR H H 7.988 0.02 1 256 94 73 THR C C 174.631 0.20 1 257 94 73 THR CA C 61.900 0.200 1 258 94 73 THR CB C 69.700 0.200 1 259 94 73 THR N N 112.993 0.20 1 260 95 74 HIS H H 8.447 0.02 1 261 95 74 HIS C C 174.212 0.20 1 262 95 74 HIS CA C 55.300 0.200 1 263 95 74 HIS CB C 29.000 0.200 1 264 95 74 HIS N N 120.460 0.20 1 265 96 75 ASN H H 8.301 0.02 1 266 96 75 ASN C C 175.013 0.20 1 267 96 75 ASN CA C 53.400 0.200 1 268 96 75 ASN CB C 38.800 0.200 1 269 96 75 ASN N N 119.683 0.20 1 270 97 76 GLN H H 8.278 0.02 1 271 97 76 GLN C C 175.531 0.20 1 272 97 76 GLN CA C 56.100 0.200 1 273 97 76 GLN CB C 29.200 0.200 1 274 97 76 GLN N N 120.410 0.20 1 275 98 77 TRP H H 8.049 0.02 1 276 98 77 TRP C C 175.770 0.20 1 277 98 77 TRP CA C 57.100 0.200 1 278 98 77 TRP CB C 29.400 0.200 1 279 98 77 TRP N N 121.475 0.20 1 280 99 78 ASN H H 8.069 0.02 1 281 99 78 ASN C C 174.277 0.20 1 282 99 78 ASN CA C 52.900 0.200 1 283 99 78 ASN CB C 38.900 0.200 1 284 99 78 ASN N N 120.330 0.20 1 285 100 79 LYS H H 7.958 0.02 1 286 100 79 LYS CA C 54.200 0.200 1 287 100 79 LYS CB C 32.500 0.200 1 288 100 79 LYS N N 122.619 0.20 1 289 101 80 PRO C C 176.904 0.20 1 290 101 80 PRO CA C 63.100 0.200 1 291 101 80 PRO CB C 32.100 0.200 1 292 102 81 SER H H 8.340 0.02 1 293 102 81 SER C C 174.116 0.20 1 294 102 81 SER CA C 58.000 0.200 1 295 102 81 SER CB C 64.100 0.200 1 296 102 81 SER N N 116.698 0.20 1 297 103 82 LYS H H 8.248 0.02 1 298 103 82 LYS CA C 54.200 0.200 1 299 103 82 LYS CB C 32.700 0.200 1 300 103 82 LYS N N 123.987 0.20 1 301 104 83 PRO C C 176.809 0.20 1 302 104 83 PRO CA C 63.000 0.200 1 303 104 83 PRO CB C 32.200 0.200 1 304 105 84 LYS H H 8.436 0.02 1 305 105 84 LYS C C 176.749 0.20 1 306 105 84 LYS CA C 56.400 0.200 1 307 105 84 LYS CB C 32.900 0.200 1 308 105 84 LYS N N 121.852 0.20 1 309 106 85 THR H H 8.050 0.02 1 310 106 85 THR C C 173.871 0.20 1 311 106 85 THR CA C 61.500 0.200 1 312 106 85 THR CB C 69.900 0.200 1 313 106 85 THR N N 115.107 0.20 1 314 107 86 ASN H H 8.479 0.02 1 315 107 86 ASN C C 174.866 0.20 1 316 107 86 ASN CA C 53.000 0.200 1 317 107 86 ASN CB C 38.800 0.200 1 318 107 86 ASN N N 121.470 0.20 1 319 108 87 LEU H H 8.155 0.02 1 320 108 87 LEU C C 177.071 0.20 1 321 108 87 LEU CA C 55.200 0.200 1 322 108 87 LEU CB C 42.400 0.200 1 323 108 87 LEU N N 122.974 0.20 1 324 109 88 LYS H H 8.191 0.02 1 325 109 88 LYS C C 176.140 0.20 1 326 109 88 LYS CA C 56.200 0.200 1 327 109 88 LYS CB C 33.100 0.200 1 328 109 88 LYS N N 121.608 0.20 1 329 110 89 HIS H H 8.403 0.02 1 330 110 89 HIS C C 174.265 0.20 1 331 110 89 HIS CA C 55.300 0.200 1 332 110 89 HIS CB C 29.400 0.200 1 333 110 89 HIS N N 120.248 0.20 1 334 111 90 VAL H H 8.112 0.02 1 335 111 90 VAL C C 175.472 0.20 1 336 111 90 VAL CA C 62.000 0.200 1 337 111 90 VAL CB C 32.900 0.200 1 338 111 90 VAL N N 122.314 0.20 1 339 112 91 ALA H H 8.382 0.02 1 340 112 91 ALA C C 177.971 0.20 1 341 112 91 ALA CA C 52.500 0.200 1 342 112 91 ALA CB C 19.400 0.200 1 343 112 91 ALA N N 128.053 0.20 1 344 113 92 GLY H H 8.287 0.02 1 345 113 92 GLY C C 173.884 0.20 1 346 113 92 GLY CA C 45.200 0.200 1 347 113 92 GLY N N 108.474 0.20 1 348 114 93 ALA H H 8.091 0.02 1 349 114 93 ALA C C 177.598 0.20 1 350 114 93 ALA CA C 52.500 0.200 1 351 114 93 ALA CB C 19.200 0.200 1 352 114 93 ALA N N 123.764 0.20 1 353 115 94 ALA H H 8.213 0.02 1 354 115 94 ALA C C 177.515 0.20 1 355 115 94 ALA CA C 52.400 0.200 1 356 115 94 ALA CB C 19.200 0.200 1 357 115 94 ALA N N 123.121 0.20 1 358 116 95 ALA H H 8.133 0.02 1 359 116 95 ALA C C 177.515 0.20 1 360 116 95 ALA CA C 52.400 0.200 1 361 116 95 ALA CB C 19.200 0.200 1 362 116 95 ALA N N 123.181 0.20 1 363 117 96 ALA H H 8.133 0.02 1 364 117 96 ALA C C 178.146 0.20 1 365 117 96 ALA CA C 52.600 0.200 1 366 117 96 ALA CB C 19.200 0.200 1 367 117 96 ALA N N 123.181 0.20 1 368 118 97 GLY H H 8.203 0.02 1 369 118 97 GLY C C 173.657 0.20 1 370 118 97 GLY CA C 45.200 0.200 1 371 118 97 GLY N N 107.763 0.20 1 372 119 98 ALA H H 8.016 0.02 1 373 119 98 ALA C C 177.519 0.20 1 374 119 98 ALA CA C 52.300 0.200 1 375 119 98 ALA CB C 19.500 0.200 1 376 119 98 ALA N N 123.445 0.20 1 377 120 99 VAL H H 8.046 0.02 1 378 120 99 VAL C C 176.259 0.20 1 379 120 99 VAL CA C 62.200 0.200 1 380 120 99 VAL CB C 32.700 0.200 1 381 120 99 VAL N N 119.350 0.20 1 382 121 100 VAL H H 8.173 0.02 1 383 121 100 VAL C C 176.562 0.20 1 384 121 100 VAL CA C 62.400 0.200 1 385 121 100 VAL CB C 32.600 0.200 1 386 121 100 VAL N N 124.188 0.20 1 387 122 101 GLY H H 8.463 0.02 1 388 122 101 GLY C C 174.293 0.20 1 389 122 101 GLY CA C 45.300 0.200 1 390 122 101 GLY N N 112.946 0.20 1 391 123 102 GLY H H 8.228 0.02 1 392 123 102 GLY C C 174.318 0.20 1 393 123 102 GLY CA C 45.400 0.200 1 394 123 102 GLY N N 108.578 0.20 1 395 124 103 LEU H H 8.129 0.02 1 396 124 103 LEU C C 177.857 0.20 1 397 124 103 LEU CA C 54.900 0.200 1 398 124 103 LEU CB C 42.500 0.200 1 399 124 103 LEU N N 121.668 0.20 1 400 125 104 GLY H H 8.437 0.02 1 401 125 104 GLY CA C 46.100 0.200 1 402 125 104 GLY N N 109.572 0.20 1 403 126 105 GLY H H 8.261 0.02 1 404 126 105 GLY C C 173.847 0.20 1 405 126 105 GLY CA C 45.200 0.200 1 406 126 105 GLY N N 108.807 0.20 1 407 127 106 TYR H H 7.724 0.02 1 408 127 106 TYR C C 175.547 0.20 1 409 127 106 TYR CA C 58.100 0.200 1 410 127 106 TYR CB C 40.000 0.200 1 411 127 106 TYR N N 117.778 0.20 1 412 128 107 MET H H 9.018 0.02 1 413 128 107 MET C C 173.121 0.20 1 414 128 107 MET CA C 53.900 0.200 1 415 128 107 MET CB C 34.300 0.200 1 416 128 107 MET N N 121.140 0.20 1 417 129 108 LEU H H 7.984 0.02 1 418 129 108 LEU C C 177.980 0.20 1 419 129 108 LEU CA C 53.400 0.200 1 420 129 108 LEU CB C 43.700 0.200 1 421 129 108 LEU N N 121.202 0.20 1 422 130 109 GLY H H 9.261 0.02 1 423 130 109 GLY C C 172.916 0.20 1 424 130 109 GLY CA C 45.000 0.200 1 425 130 109 GLY N N 114.351 0.20 1 426 131 110 SER H H 8.201 0.02 1 427 131 110 SER C C 174.771 0.20 1 428 131 110 SER CA C 58.500 0.200 1 429 131 110 SER CB C 64.100 0.200 1 430 131 110 SER N N 113.750 0.20 1 431 132 111 ALA H H 8.601 0.02 1 432 132 111 ALA C C 177.527 0.20 1 433 132 111 ALA CA C 52.900 0.200 1 434 132 111 ALA CB C 18.400 0.200 1 435 132 111 ALA N N 125.383 0.20 1 436 133 112 MET H H 8.689 0.02 1 437 133 112 MET C C 175.672 0.20 1 438 133 112 MET CA C 54.100 0.200 1 439 133 112 MET CB C 36.400 0.200 1 440 133 112 MET N N 121.185 0.20 1 441 134 113 SER H H 8.312 0.02 1 442 134 113 SER C C 174.412 0.20 1 443 134 113 SER CA C 58.600 0.200 1 444 134 113 SER CB C 63.200 0.200 1 445 134 113 SER N N 115.975 0.20 1 446 135 114 ARG H H 8.541 0.02 1 447 135 114 ARG CA C 54.800 0.200 1 448 135 114 ARG CB C 29.500 0.200 1 449 135 114 ARG N N 125.979 0.20 1 450 136 115 PRO C C 175.874 0.20 1 451 136 115 PRO CA C 62.400 0.200 1 452 136 115 PRO CB C 32.200 0.200 1 453 137 116 MET H H 8.627 0.02 1 454 137 116 MET C C 175.035 0.20 1 455 137 116 MET CA C 54.200 0.200 1 456 137 116 MET CB C 30.500 0.200 1 457 137 116 MET N N 122.058 0.20 1 458 138 117 ILE H H 6.587 0.02 1 459 138 117 ILE C C 173.477 0.20 1 460 138 117 ILE CA C 59.500 0.200 1 461 138 117 ILE N N 124.100 0.20 1 462 139 118 HIS H H 7.245 0.02 1 463 139 118 HIS C C 174.575 0.20 1 464 139 118 HIS CA C 54.100 0.200 1 465 139 118 HIS CB C 29.600 0.200 1 466 139 118 HIS N N 109.674 0.20 1 467 140 119 PHE H H 10.293 0.02 1 468 140 119 PHE C C 176.865 0.20 1 469 140 119 PHE CA C 59.500 0.200 1 470 140 119 PHE CB C 40.700 0.200 1 471 140 119 PHE N N 124.926 0.20 1 472 141 120 GLY H H 8.912 0.02 1 473 141 120 GLY C C 173.297 0.20 1 474 141 120 GLY CA C 45.800 0.200 1 475 141 120 GLY N N 108.735 0.20 1 476 142 121 ASN H H 7.220 0.02 1 477 142 121 ASN C C 174.569 0.20 1 478 142 121 ASN CA C 52.500 0.200 1 479 142 121 ASN CB C 41.400 0.200 1 480 142 121 ASN N N 114.595 0.20 1 481 143 122 ASP H H 8.942 0.02 1 482 143 122 ASP C C 177.899 0.20 1 483 143 122 ASP CA C 57.900 0.200 1 484 143 122 ASP CB C 41.000 0.200 1 485 143 122 ASP N N 123.371 0.20 1 486 144 123 TRP H H 8.427 0.02 1 487 144 123 TRP C C 174.871 0.20 1 488 144 123 TRP CA C 61.500 0.200 1 489 144 123 TRP CB C 31.000 0.200 1 490 144 123 TRP N N 120.260 0.20 1 491 145 124 GLU H H 8.086 0.02 1 492 145 124 GLU C C 177.686 0.20 1 493 145 124 GLU CA C 59.900 0.200 1 494 145 124 GLU CB C 29.600 0.200 1 495 145 124 GLU N N 122.127 0.20 1 496 146 125 ASP H H 7.932 0.02 1 497 146 125 ASP C C 178.997 0.20 1 498 146 125 ASP CA C 58.500 0.200 1 499 146 125 ASP CB C 40.500 0.200 1 500 146 125 ASP N N 118.909 0.20 1 501 147 126 ARG H H 8.000 0.02 1 502 147 126 ARG C C 177.606 0.20 1 503 147 126 ARG CA C 59.600 0.200 1 504 147 126 ARG CB C 29.800 0.200 1 505 147 126 ARG N N 119.796 0.20 1 506 148 127 TYR H H 8.248 0.02 1 507 148 127 TYR C C 179.480 0.20 1 508 148 127 TYR CA C 62.200 0.200 1 509 148 127 TYR CB C 38.200 0.200 1 510 148 127 TYR N N 120.849 0.20 1 511 149 128 TYR H H 8.935 0.02 1 512 149 128 TYR C C 176.905 0.20 1 513 149 128 TYR CA C 63.000 0.200 1 514 149 128 TYR CB C 38.400 0.200 1 515 149 128 TYR N N 120.297 0.20 1 516 150 129 ARG H H 7.874 0.02 1 517 150 129 ARG C C 178.926 0.20 1 518 150 129 ARG CA C 60.000 0.200 1 519 150 129 ARG CB C 29.800 0.200 1 520 150 129 ARG N N 117.220 0.20 1 521 151 130 GLU H H 7.831 0.02 1 522 151 130 GLU C C 177.517 0.20 1 523 151 130 GLU CA C 57.800 0.200 1 524 151 130 GLU CB C 29.900 0.200 1 525 151 130 GLU N N 115.432 0.20 1 526 152 131 ASN H H 7.510 0.02 1 527 152 131 ASN C C 175.532 0.20 1 528 152 131 ASN CA C 54.800 0.200 1 529 152 131 ASN CB C 41.100 0.200 1 530 152 131 ASN N N 115.151 0.20 1 531 153 132 MET H H 7.775 0.02 1 532 153 132 MET C C 176.423 0.20 1 533 153 132 MET CA C 59.200 0.200 1 534 153 132 MET CB C 30.600 0.200 1 535 153 132 MET N N 118.255 0.20 1 536 154 133 TYR H H 7.513 0.02 1 537 154 133 TYR C C 175.825 0.20 1 538 154 133 TYR CA C 59.300 0.200 1 539 154 133 TYR CB C 36.200 0.200 1 540 154 133 TYR N N 116.212 0.20 1 541 155 134 ARG H H 7.492 0.02 1 542 155 134 ARG C C 176.664 0.20 1 543 155 134 ARG CA C 56.400 0.200 1 544 155 134 ARG CB C 30.700 0.200 1 545 155 134 ARG N N 118.524 0.20 1 546 156 135 TYR H H 7.321 0.02 1 547 156 135 TYR CA C 56.700 0.200 1 548 156 135 TYR N N 120.558 0.20 1 549 157 136 PRO C C 174.931 0.20 1 550 157 136 PRO CA C 63.600 0.200 1 551 157 136 PRO CB C 32.000 0.200 1 552 158 137 ASN H H 8.460 0.02 1 553 158 137 ASN C C 173.008 0.20 1 554 158 137 ASN CA C 51.900 0.200 1 555 158 137 ASN CB C 38.300 0.200 1 556 158 137 ASN N N 115.948 0.20 1 557 159 138 GLN H H 7.248 0.02 1 558 159 138 GLN C C 174.902 0.20 1 559 159 138 GLN CA C 54.200 0.200 1 560 159 138 GLN CB C 33.400 0.200 1 561 159 138 GLN N N 114.419 0.20 1 562 160 139 VAL H H 8.372 0.02 1 563 160 139 VAL C C 173.977 0.20 1 564 160 139 VAL CA C 58.800 0.200 1 565 160 139 VAL CB C 33.700 0.200 1 566 160 139 VAL N N 112.626 0.20 1 567 161 140 TYR H H 8.419 0.02 1 568 161 140 TYR C C 174.554 0.20 1 569 161 140 TYR CA C 56.900 0.200 1 570 161 140 TYR CB C 42.000 0.200 1 571 161 140 TYR N N 121.260 0.20 1 572 162 141 TYR H H 8.472 0.02 1 573 162 141 TYR C C 174.554 0.20 1 574 162 141 TYR CA C 56.000 0.200 1 575 162 141 TYR CB C 31.000 0.200 1 576 162 141 TYR N N 111.125 0.20 1 577 163 142 ARG H H 8.079 0.02 1 578 163 142 ARG CA C 55.700 0.200 1 579 163 142 ARG N N 122.275 0.20 1 580 164 143 PRO C C 177.747 0.20 1 581 164 143 PRO CA C 63.300 0.200 1 582 164 143 PRO CB C 32.100 0.200 1 583 165 144 VAL H H 8.317 0.02 1 584 165 144 VAL C C 174.950 0.20 1 585 165 144 VAL CA C 63.200 0.200 1 586 165 144 VAL CB C 32.100 0.200 1 587 165 144 VAL N N 109.263 0.20 1 588 166 145 ASP H H 8.033 0.02 1 589 166 145 ASP C C 176.915 0.20 1 590 166 145 ASP CA C 54.100 0.200 1 591 166 145 ASP CB C 39.700 0.200 1 592 166 145 ASP N N 120.640 0.20 1 593 167 146 GLN H H 8.210 0.02 1 594 167 146 GLN C C 175.012 0.20 1 595 167 146 GLN CA C 56.000 0.200 1 596 167 146 GLN CB C 27.700 0.200 1 597 167 146 GLN N N 117.236 0.20 1 598 168 147 TYR H H 7.886 0.02 1 599 168 147 TYR C C 174.151 0.20 1 600 168 147 TYR CA C 57.100 0.200 1 601 168 147 TYR N N 117.166 0.20 1 602 169 148 SER H H 8.102 0.02 1 603 169 148 SER C C 174.871 0.20 1 604 169 148 SER CA C 58.300 0.200 1 605 169 148 SER CB C 63.900 0.200 1 606 169 148 SER N N 115.432 0.20 1 607 170 149 ASN H H 8.086 0.02 1 608 170 149 ASN C C 174.099 0.20 1 609 170 149 ASN CA C 52.400 0.200 1 610 170 149 ASN CB C 40.200 0.200 1 611 170 149 ASN N N 122.127 0.20 1 612 171 150 GLN H H 8.602 0.02 1 613 171 150 GLN C C 176.787 0.20 1 614 171 150 GLN CA C 59.000 0.200 1 615 171 150 GLN CB C 29.300 0.200 1 616 171 150 GLN N N 120.008 0.20 1 617 172 151 ASN H H 8.346 0.02 1 618 172 151 ASN C C 177.797 0.20 1 619 172 151 ASN CA C 56.500 0.200 1 620 172 151 ASN CB C 37.800 0.200 1 621 172 151 ASN N N 117.316 0.20 1 622 173 152 ASN H H 8.515 0.02 1 623 173 152 ASN C C 173.938 0.20 1 624 173 152 ASN CA C 56.100 0.200 1 625 173 152 ASN N N 118.373 0.20 1 626 174 153 PHE H H 8.252 0.02 1 627 174 153 PHE C C 177.388 0.20 1 628 174 153 PHE CA C 61.000 0.200 1 629 174 153 PHE CB C 38.900 0.200 1 630 174 153 PHE N N 118.466 0.20 1 631 175 154 VAL H H 8.858 0.02 1 632 175 154 VAL C C 177.108 0.20 1 633 175 154 VAL CA C 63.200 0.200 1 634 175 154 VAL CB C 31.800 0.200 1 635 175 154 VAL N N 120.147 0.20 1 636 176 155 HIS H H 8.388 0.02 1 637 176 155 HIS CA C 55.800 0.200 1 638 176 155 HIS N N 119.932 0.20 1 639 177 156 ASP C C 178.157 0.20 1 640 177 156 ASP CA C 56.900 0.200 1 641 177 156 ASP CB C 41.200 0.200 1 642 178 157 CYS H H 8.155 0.02 1 643 178 157 CYS C C 177.386 0.20 1 644 178 157 CYS CA C 58.800 0.200 1 645 178 157 CYS CB C 40.800 0.200 1 646 178 157 CYS N N 119.332 0.20 1 647 179 158 VAL H H 9.130 0.02 1 648 179 158 VAL C C 177.144 0.20 1 649 179 158 VAL CA C 66.200 0.200 1 650 179 158 VAL N N 124.409 0.20 1 651 180 159 ASN H H 7.592 0.02 1 652 180 159 ASN C C 178.453 0.20 1 653 180 159 ASN CA C 56.700 0.200 1 654 180 159 ASN CB C 38.900 0.200 1 655 180 159 ASN N N 116.491 0.20 1 656 181 160 ILE H H 8.796 0.02 1 657 181 160 ILE C C 177.819 0.20 1 658 181 160 ILE CA C 62.600 0.200 1 659 181 160 ILE CB C 36.600 0.200 1 660 181 160 ILE N N 118.832 0.20 1 661 182 161 THR H H 8.111 0.02 1 662 182 161 THR C C 177.364 0.20 1 663 182 161 THR CA C 61.800 0.200 1 664 182 161 THR CB C 69.900 0.200 1 665 182 161 THR N N 117.939 0.20 1 666 183 162 ILE H H 8.483 0.02 1 667 183 162 ILE C C 178.886 0.20 1 668 183 162 ILE CA C 66.000 0.200 1 669 183 162 ILE CB C 36.800 0.200 1 670 183 162 ILE N N 120.623 0.20 1 671 184 163 LYS H H 8.053 0.02 1 672 184 163 LYS C C 178.877 0.20 1 673 184 163 LYS CA C 60.000 0.200 1 674 184 163 LYS CB C 32.100 0.200 1 675 184 163 LYS N N 122.728 0.20 1 676 185 164 GLN H H 8.336 0.02 1 677 185 164 GLN C C 178.236 0.20 1 678 185 164 GLN CA C 57.800 0.200 1 679 185 164 GLN CB C 28.200 0.200 1 680 185 164 GLN N N 116.455 0.20 1 681 186 165 HIS H H 8.232 0.02 1 682 186 165 HIS C C 177.267 0.20 1 683 186 165 HIS CA C 59.100 0.200 1 684 186 165 HIS CB C 31.000 0.200 1 685 186 165 HIS N N 118.366 0.20 1 686 187 166 THR H H 8.258 0.02 1 687 187 166 THR C C 176.033 0.20 1 688 187 166 THR CA C 65.400 0.200 1 689 187 166 THR CB C 69.000 0.200 1 690 187 166 THR N N 113.431 0.20 1 691 188 167 VAL H H 7.990 0.02 1 692 188 167 VAL C C 177.788 0.20 1 693 188 167 VAL CA C 65.200 0.200 1 694 188 167 VAL CB C 32.100 0.200 1 695 188 167 VAL N N 122.032 0.20 1 696 189 168 THR H H 8.017 0.02 1 697 189 168 THR CA C 64.300 0.200 1 698 189 168 THR CB C 69.300 0.200 1 699 189 168 THR N N 114.960 0.20 1 700 190 169 THR H H 7.967 0.02 1 701 190 169 THR C C 176.314 0.20 1 702 190 169 THR CA C 64.100 0.200 1 703 190 169 THR CB C 69.000 0.200 1 704 190 169 THR N N 114.608 0.20 1 705 191 170 THR H H 8.150 0.02 1 706 191 170 THR C C 176.912 0.20 1 707 191 170 THR CA C 64.300 0.200 1 708 191 170 THR CB C 69.300 0.200 1 709 191 170 THR N N 116.524 0.20 1 710 192 171 THR H H 7.859 0.02 1 711 192 171 THR C C 175.009 0.20 1 712 192 171 THR CA C 63.800 0.200 1 713 192 171 THR CB C 69.200 0.200 1 714 192 171 THR N N 115.814 0.20 1 715 193 172 LYS H H 7.738 0.02 1 716 193 172 LYS C C 176.813 0.20 1 717 193 172 LYS CA C 56.500 0.200 1 718 193 172 LYS CB C 32.500 0.200 1 719 193 172 LYS N N 120.737 0.20 1 720 194 173 GLY H H 8.025 0.02 1 721 194 173 GLY C C 174.181 0.20 1 722 194 173 GLY CA C 45.500 0.200 1 723 194 173 GLY N N 108.531 0.20 1 724 195 174 GLU H H 7.639 0.02 1 725 195 174 GLU C C 175.159 0.20 1 726 195 174 GLU CA C 55.800 0.200 1 727 195 174 GLU CB C 30.800 0.200 1 728 195 174 GLU N N 119.951 0.20 1 729 196 175 ASN H H 8.391 0.02 1 730 196 175 ASN C C 173.977 0.20 1 731 196 175 ASN CA C 52.900 0.200 1 732 196 175 ASN CB C 40.400 0.200 1 733 196 175 ASN N N 119.632 0.20 1 734 197 176 PHE H H 8.538 0.02 1 735 197 176 PHE C C 176.577 0.20 1 736 197 176 PHE CA C 56.800 0.200 1 737 197 176 PHE CB C 40.100 0.200 1 738 197 176 PHE N N 121.600 0.20 1 739 198 177 THR H H 9.461 0.02 1 740 198 177 THR C C 175.534 0.20 1 741 198 177 THR CA C 60.600 0.200 1 742 198 177 THR CB C 72.200 0.200 1 743 198 177 THR N N 115.796 0.20 1 744 199 178 GLU H H 9.072 0.02 1 745 199 178 GLU C C 179.064 0.20 1 746 199 178 GLU CA C 59.900 0.200 1 747 199 178 GLU CB C 28.900 0.200 1 748 199 178 GLU N N 120.005 0.20 1 749 200 179 THR H H 7.897 0.02 1 750 200 179 THR C C 175.681 0.20 1 751 200 179 THR CA C 66.900 0.200 1 752 200 179 THR CB C 68.800 0.200 1 753 200 179 THR N N 116.156 0.20 1 754 201 180 ASP H H 7.505 0.02 1 755 201 180 ASP C C 177.665 0.20 1 756 201 180 ASP CA C 58.000 0.200 1 757 201 180 ASP CB C 41.800 0.200 1 758 201 180 ASP N N 119.929 0.20 1 759 202 181 VAL H H 8.193 0.02 1 760 202 181 VAL C C 177.605 0.20 1 761 202 181 VAL CA C 67.700 0.200 1 762 202 181 VAL CB C 31.500 0.200 1 763 202 181 VAL N N 119.688 0.20 1 764 203 182 LYS H H 7.705 0.02 1 765 203 182 LYS C C 179.974 0.20 1 766 203 182 LYS CA C 59.400 0.200 1 767 203 182 LYS CB C 32.000 0.200 1 768 203 182 LYS N N 119.172 0.20 1 769 204 183 MET H H 8.153 0.02 1 770 204 183 MET C C 178.119 0.20 1 771 204 183 MET CA C 59.600 0.200 1 772 204 183 MET CB C 32.800 0.200 1 773 204 183 MET N N 118.467 0.20 1 774 205 184 MET H H 8.696 0.02 1 775 205 184 MET C C 176.783 0.20 1 776 205 184 MET CA C 59.800 0.200 1 777 205 184 MET CB C 31.900 0.200 1 778 205 184 MET N N 118.170 0.20 1 779 206 185 GLU H H 8.419 0.02 1 780 206 185 GLU C C 178.201 0.20 1 781 206 185 GLU CA C 60.600 0.200 1 782 206 185 GLU CB C 28.400 0.200 1 783 206 185 GLU N N 118.315 0.20 1 784 207 186 ARG H H 7.283 0.02 1 785 207 186 ARG C C 179.210 0.20 1 786 207 186 ARG CA C 58.500 0.200 1 787 207 186 ARG CB C 30.000 0.200 1 788 207 186 ARG N N 116.886 0.20 1 789 208 187 VAL H H 8.152 0.02 1 790 208 187 VAL C C 177.261 0.20 1 791 208 187 VAL CA C 66.000 0.200 1 792 208 187 VAL CB C 32.300 0.200 1 793 208 187 VAL N N 119.012 0.20 1 794 209 188 VAL H H 8.974 0.02 1 795 209 188 VAL C C 177.607 0.20 1 796 209 188 VAL CA C 66.400 0.200 1 797 209 188 VAL N N 120.447 0.20 1 798 210 189 GLU H H 8.145 0.02 1 799 210 189 GLU C C 177.560 0.20 1 800 210 189 GLU CA C 61.200 0.200 1 801 210 189 GLU CB C 28.800 0.200 1 802 210 189 GLU N N 120.681 0.20 1 803 211 190 GLN H H 7.165 0.02 1 804 211 190 GLN C C 178.120 0.20 1 805 211 190 GLN CA C 59.100 0.200 1 806 211 190 GLN CB C 27.900 0.200 1 807 211 190 GLN N N 115.534 0.20 1 808 212 191 MET H H 8.160 0.02 1 809 212 191 MET C C 178.584 0.20 1 810 212 191 MET CA C 60.000 0.200 1 811 212 191 MET CB C 34.400 0.200 1 812 212 191 MET N N 119.470 0.20 1 813 213 192 CYS H H 9.165 0.02 1 814 213 192 CYS C C 176.899 0.20 1 815 213 192 CYS CA C 56.100 0.200 1 816 213 192 CYS CB C 29.300 0.200 1 817 213 192 CYS N N 119.270 0.20 1 818 214 193 VAL H H 8.392 0.02 1 819 214 193 VAL C C 178.072 0.20 1 820 214 193 VAL CA C 67.700 0.200 1 821 214 193 VAL N N 123.242 0.20 1 822 215 194 THR H H 8.048 0.02 1 823 215 194 THR C C 176.569 0.20 1 824 215 194 THR CA C 67.100 0.200 1 825 215 194 THR CB C 68.300 0.200 1 826 215 194 THR N N 117.792 0.20 1 827 216 195 GLN H H 8.672 0.02 1 828 216 195 GLN C C 177.452 0.20 1 829 216 195 GLN CA C 58.600 0.200 1 830 216 195 GLN CB C 28.200 0.200 1 831 216 195 GLN N N 122.313 0.20 1 832 217 196 TYR H H 8.448 0.02 1 833 217 196 TYR CA C 62.100 0.200 1 834 217 196 TYR N N 119.858 0.20 1 835 218 197 GLN C C 178.499 0.20 1 836 218 197 GLN CA C 59.100 0.200 1 837 218 197 GLN CB C 27.700 0.200 1 838 219 198 LYS H H 7.913 0.02 1 839 219 198 LYS C C 179.645 0.20 1 840 219 198 LYS CA C 58.300 0.200 1 841 219 198 LYS CB C 32.400 0.200 1 842 219 198 LYS N N 119.038 0.20 1 843 220 199 GLU H H 8.280 0.02 1 844 220 199 GLU C C 178.932 0.20 1 845 220 199 GLU CA C 57.800 0.200 1 846 220 199 GLU CB C 29.800 0.200 1 847 220 199 GLU N N 117.830 0.20 1 848 221 200 SER H H 8.268 0.02 1 849 221 200 SER C C 175.608 0.20 1 850 221 200 SER CA C 61.100 0.200 1 851 221 200 SER CB C 62.700 0.200 1 852 221 200 SER N N 114.771 0.20 1 853 222 201 GLN H H 7.558 0.02 1 854 222 201 GLN C C 176.993 0.20 1 855 222 201 GLN CA C 57.900 0.200 1 856 222 201 GLN CB C 28.400 0.200 1 857 222 201 GLN N N 120.538 0.20 1 858 223 202 ALA H H 7.563 0.02 1 859 223 202 ALA C C 178.665 0.20 1 860 223 202 ALA CA C 53.900 0.200 1 861 223 202 ALA CB C 18.500 0.200 1 862 223 202 ALA N N 120.865 0.20 1 863 224 203 TYR H H 7.859 0.02 1 864 224 203 TYR C C 176.813 0.20 1 865 224 203 TYR CA C 59.600 0.200 1 866 224 203 TYR CB C 38.600 0.200 1 867 224 203 TYR N N 118.658 0.20 1 868 225 204 TYR H H 7.967 0.02 1 869 225 204 TYR C C 176.583 0.20 1 870 225 204 TYR CA C 59.400 0.200 1 871 225 204 TYR CB C 38.200 0.200 1 872 225 204 TYR N N 119.596 0.20 1 873 226 205 ASP H H 8.138 0.02 1 874 226 205 ASP C C 177.114 0.20 1 875 226 205 ASP CA C 55.000 0.200 1 876 226 205 ASP CB C 40.600 0.200 1 877 226 205 ASP N N 120.963 0.20 1 878 227 206 GLY H H 7.856 0.02 1 879 227 206 GLY C C 174.584 0.20 1 880 227 206 GLY CA C 45.800 0.200 1 881 227 206 GLY N N 108.035 0.20 1 882 228 207 ARG H H 7.852 0.02 1 883 228 207 ARG C C 176.384 0.20 1 884 228 207 ARG CA C 56.300 0.200 1 885 228 207 ARG CB C 30.500 0.200 1 886 228 207 ARG N N 119.835 0.20 1 887 229 208 ARG H H 8.118 0.02 1 888 229 208 ARG C C 176.352 0.20 1 889 229 208 ARG CA C 56.100 0.200 1 890 229 208 ARG CB C 30.800 0.200 1 891 229 208 ARG N N 121.323 0.20 1 892 230 209 SER H H 8.263 0.02 1 893 230 209 SER C C 174.403 0.20 1 894 230 209 SER CA C 58.300 0.200 1 895 230 209 SER CB C 63.900 0.200 1 896 230 209 SER N N 116.667 0.20 1 897 231 210 SER H H 8.280 0.02 1 898 231 210 SER N N 117.757 0.20 1 stop_ save_