data_27443 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C and 15N assignment of C', CA, CB and N of quail Osteopontin at 310K ; _BMRB_accession_number 27443 _BMRB_flat_file_name bmr27443.str _Entry_type original _Submission_date 2018-04-09 _Accession_date 2018-04-09 _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 Mateos Borja . . 2 Pierattelli Roberta . . 3 Konrat Robert . . 4 Felli Isabella . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 678 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-19 update BMRB 'update entry citation' 2018-11-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15519 'Backbone chemical shift assigment of chicken osteopontin' stop_ _Original_release_date 2018-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR characterization of long-range contacts in intrinsically disordered proteins from paramagnetic relaxation enhancement in 13C direct-detected experiments ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30407719 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mateos Borja . . 2 Konrat Robert . . 3 Pierattelli Roberta . . 4 Felli Isabella . . stop_ _Journal_abbreviation Chembiochem. _Journal_volume 20 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 335 _Page_last 339 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Osteopontin monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Osteopontin monomer' $Osteopontin stop_ _System_molecular_weight 25616.99 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Osteopontin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Osteopontin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 220 _Mol_residue_sequence ; MHQDHVDSQSQEHLQQTQND LASLQQTHYSSEENADVPEQ PDFPDVPSKSQETVDDDDDD DNDSNDTDESDEVFTDFPTE APVAPFNRGDNAGRGDSVAY GFRAKAHVVKASKIRKAARK LIEDDATTEDGDSQPAGLWW PKESREQNSRELPQHQSVEN DSRPKFDSREVDGGDSKASA GVDSRESQGSVPAVDASNQT LESAEDAEDRHSIENNEVTR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 45 MET 2 46 HIS 3 47 GLN 4 48 ASP 5 49 HIS 6 50 VAL 7 51 ASP 8 52 SER 9 53 GLN 10 54 SER 11 55 GLN 12 56 GLU 13 57 HIS 14 58 LEU 15 59 GLN 16 60 GLN 17 61 THR 18 62 GLN 19 63 ASN 20 64 ASP 21 65 LEU 22 66 ALA 23 67 SER 24 68 LEU 25 69 GLN 26 70 GLN 27 71 THR 28 72 HIS 29 73 TYR 30 74 SER 31 75 SER 32 76 GLU 33 77 GLU 34 78 ASN 35 79 ALA 36 80 ASP 37 81 VAL 38 82 PRO 39 83 GLU 40 84 GLN 41 85 PRO 42 86 ASP 43 87 PHE 44 88 PRO 45 89 ASP 46 90 VAL 47 91 PRO 48 92 SER 49 93 LYS 50 94 SER 51 95 GLN 52 96 GLU 53 97 THR 54 98 VAL 55 99 ASP 56 100 ASP 57 101 ASP 58 102 ASP 59 103 ASP 60 104 ASP 61 105 ASP 62 106 ASN 63 107 ASP 64 108 SER 65 109 ASN 66 110 ASP 67 111 THR 68 112 ASP 69 113 GLU 70 114 SER 71 115 ASP 72 116 GLU 73 117 VAL 74 118 PHE 75 119 THR 76 120 ASP 77 121 PHE 78 122 PRO 79 123 THR 80 124 GLU 81 125 ALA 82 126 PRO 83 127 VAL 84 128 ALA 85 129 PRO 86 130 PHE 87 131 ASN 88 132 ARG 89 133 GLY 90 134 ASP 91 135 ASN 92 136 ALA 93 137 GLY 94 138 ARG 95 139 GLY 96 140 ASP 97 141 SER 98 142 VAL 99 143 ALA 100 144 TYR 101 145 GLY 102 146 PHE 103 147 ARG 104 148 ALA 105 149 LYS 106 150 ALA 107 151 HIS 108 152 VAL 109 153 VAL 110 154 LYS 111 155 ALA 112 156 SER 113 157 LYS 114 158 ILE 115 159 ARG 116 160 LYS 117 161 ALA 118 162 ALA 119 163 ARG 120 164 LYS 121 165 LEU 122 166 ILE 123 167 GLU 124 168 ASP 125 169 ASP 126 170 ALA 127 171 THR 128 172 THR 129 173 GLU 130 174 ASP 131 175 GLY 132 176 ASP 133 177 SER 134 178 GLN 135 179 PRO 136 180 ALA 137 181 GLY 138 182 LEU 139 183 TRP 140 184 TRP 141 185 PRO 142 186 LYS 143 187 GLU 144 188 SER 145 189 ARG 146 190 GLU 147 191 GLN 148 192 ASN 149 193 SER 150 194 ARG 151 195 GLU 152 196 LEU 153 197 PRO 154 198 GLN 155 199 HIS 156 200 GLN 157 201 SER 158 202 VAL 159 203 GLU 160 204 ASN 161 205 ASP 162 206 SER 163 207 ARG 164 208 PRO 165 209 LYS 166 210 PHE 167 211 ASP 168 212 SER 169 213 ARG 170 214 GLU 171 215 VAL 172 216 ASP 173 217 GLY 174 218 GLY 175 219 ASP 176 220 SER 177 221 LYS 178 222 ALA 179 223 SER 180 224 ALA 181 225 GLY 182 226 VAL 183 227 ASP 184 228 SER 185 229 ARG 186 230 GLU 187 231 SER 188 232 GLN 189 233 GLY 190 234 SER 191 235 VAL 192 236 PRO 193 237 ALA 194 238 VAL 195 239 ASP 196 240 ALA 197 241 SER 198 242 ASN 199 243 GLN 200 244 THR 201 245 LEU 202 246 GLU 203 247 SER 204 248 ALA 205 249 GLU 206 250 ASP 207 251 ALA 208 252 GLU 209 253 ASP 210 254 ARG 211 255 HIS 212 256 SER 213 257 ILE 214 258 GLU 215 259 ASN 216 260 ASN 217 261 GLU 218 262 VAL 219 263 THR 220 264 ARG 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 $Osteopontin 'E. coli' 562 Bacteria . Escherichia coli 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 $Osteopontin 'recombinant technology' . Escherichia coli . pET11d 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 $Osteopontin 2 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model NEO _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_CON_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ save_3D_(H)CBCACON_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CBCACON' _Sample_label $sample_1 save_ save_3D_(H)CBCANCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CBCANCO' _Sample_label $sample_1 save_ save_3D_(H)COCON_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)COCON' _Sample_label $sample_1 save_ save_3D_(H)CCCON_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCCON' _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' 0.14 . M pH 6.5 . pH pressure 1 . atm temperature 310 . 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' Hz 0 external direct . . . 0.251449537 DSS N 15 'methyl protons' Hz 0 external 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 CON' '3D (H)CBCACON' '3D (H)CBCANCO' '3D (H)COCON' '3D (H)CCCON' 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 'Osteopontin 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 45 1 MET C C 173.838 0 . 2 45 1 MET CA C 55.222 0 . 3 45 1 MET CB C 33.582 0 . 4 46 2 HIS C C 174.765 0 . 5 46 2 HIS CA C 56.547 0 . 6 46 2 HIS CB C 30.349 0 . 7 46 2 HIS N N 122.274 0 . 8 47 3 GLN C C 175.239 0 . 9 47 3 GLN CA C 55.666 0 . 10 47 3 GLN CB C 29.562 0 . 11 47 3 GLN N N 122.402 0 . 12 48 4 ASP C C 175.915 0 . 13 48 4 ASP CA C 54.501 0 . 14 48 4 ASP CB C 41.248 0 . 15 48 4 ASP N N 121.695 0 . 16 49 5 HIS C C 174.809 0 . 17 49 5 HIS CA C 56.115 0 . 18 49 5 HIS CB C 29.977 0 . 19 49 5 HIS N N 118.765 0 . 20 50 6 VAL C C 175.756 0 . 21 50 6 VAL CA C 62.31 0 . 22 50 6 VAL CB C 32.698 0 . 23 50 6 VAL N N 121.61 0 . 24 51 7 ASP C C 176.526 0 . 25 51 7 ASP CA C 54.265 0 . 26 51 7 ASP CB C 41.363 0 . 27 51 7 ASP N N 124.053 0 . 28 52 8 SER C C 174.964 0 . 29 52 8 SER CA C 58.765 0 . 30 52 8 SER CB C 63.637 0 . 31 52 8 SER N N 116.712 0 . 32 53 9 GLN C C 176.342 0 . 33 53 9 GLN CA C 56.019 0 . 34 53 9 GLN CB C 29.091 0 . 35 53 9 GLN N N 121.524 0 . 36 54 10 SER C C 174.964 0 . 37 54 10 SER CA C 58.487 0 . 38 54 10 SER CB C 63.514 0 . 39 54 10 SER N N 116.216 0 . 40 55 11 GLN C C 176.375 0 . 41 55 11 GLN CA C 56.137 0 . 42 55 11 GLN CB C 29.18 0 . 43 55 11 GLN N N 121.837 0 . 44 56 12 GLU C C 176.699 0 . 45 56 12 GLU CA C 57.333 0 . 46 56 12 GLU CB C 30.034 0 . 47 56 12 GLU N N 120.98 0 . 48 57 13 HIS C C 175.301 0 . 49 57 13 HIS CA C 56.075 0 . 50 57 13 HIS CB C 29.623 0 . 51 57 13 HIS N N 118.984 0 . 52 58 14 LEU C C 177.466 0 . 53 58 14 LEU CA C 55.222 0 . 54 58 14 LEU CB C 42.201 0 . 55 58 14 LEU N N 122.588 0 . 56 59 15 GLN C C 176.127 0 . 57 59 15 GLN CA C 56.019 0 . 58 59 15 GLN CB C 29.357 0 . 59 59 15 GLN N N 120.43 0 . 60 60 16 GLN C C 176.319 0 . 61 60 16 GLN CA C 56.019 0 . 62 60 16 GLN CB C 29.534 0 . 63 60 16 GLN N N 121.117 0 . 64 61 17 THR C C 174.738 0 . 65 61 17 THR CA C 62.014 0 . 66 61 17 THR CB C 69.79 0 . 67 61 17 THR N N 114.854 0 . 68 62 18 GLN C C 175.891 0 . 69 62 18 GLN CA C 56.295 0 . 70 62 18 GLN CB C 29.18 0 . 71 62 18 GLN N N 122.003 0 . 72 63 19 ASN C C 175.11 0 . 73 63 19 ASN CA C 53.512 0 . 74 63 19 ASN CB C 38.835 0 . 75 63 19 ASN N N 119.656 0 . 76 64 20 ASP C C 176.681 0 . 77 64 20 ASP CA C 54.602 0 . 78 64 20 ASP CB C 40.83 0 . 79 64 20 ASP N N 120.787 0 . 80 65 21 LEU C C 178.008 0 . 81 65 21 LEU CA C 56.11 0 . 82 65 21 LEU CB C 41.98 0 . 83 65 21 LEU N N 122.124 0 . 84 66 22 ALA C C 178.629 0 . 85 66 22 ALA CA C 53.49 0 . 86 66 22 ALA CB C 18.87 0 . 87 66 22 ALA N N 123.034 0 . 88 67 23 SER C C 175.043 0 . 89 67 23 SER CA C 59.04 0 . 90 67 23 SER CB C 63.39 0 . 91 67 23 SER N N 113.553 0 . 92 68 24 LEU C C 177.616 0 . 93 68 24 LEU CA C 55.65 0 . 94 68 24 LEU CB C 42.18 0 . 95 68 24 LEU N N 122.993 0 . 96 69 25 GLN C C 176.02 0 . 97 69 25 GLN CA C 56.153 0 . 98 69 25 GLN CB C 29.248 0 . 99 69 25 GLN N N 119.75 0 . 100 70 26 GLN C C 176.066 0 . 101 70 26 GLN CA C 55.76 0 . 102 70 26 GLN CB C 29.326 0 . 103 70 26 GLN N N 120.726 0 . 104 71 27 THR C C 174.118 0 . 105 71 27 THR CA C 61.886 0 . 106 71 27 THR CB C 69.581 0 . 107 71 27 THR N N 114.912 0 . 108 72 28 HIS C C 174.364 0 . 109 72 28 HIS CA C 55.38 0 . 110 72 28 HIS CB C 30.133 0 . 111 72 28 HIS N N 121.262 0 . 112 73 29 TYR C C 175.653 0 . 113 73 29 TYR CA C 57.85 0 . 114 73 29 TYR CB C 39.1 0 . 115 73 29 TYR N N 121.901 0 . 116 74 30 SER C C 174.357 0 . 117 74 30 SER CA C 57.93 0 . 118 74 30 SER CB C 63.96 0 . 119 74 30 SER N N 117.814 0 . 120 75 31 SER C C 174.631 0 . 121 75 31 SER CA C 58.435 0 . 122 75 31 SER CB C 63.746 0 . 123 75 31 SER N N 118.082 0 . 124 76 32 GLU C C 176.569 0 . 125 76 32 GLU CA C 56.564 0 . 126 76 32 GLU CB C 30.529 0 . 127 76 32 GLU N N 122.219 0 . 128 77 33 GLU C C 176.195 0 . 129 77 33 GLU CA C 56.635 0 . 130 77 33 GLU CB C 30.26 0 . 131 77 33 GLU N N 121.097 0 . 132 78 34 ASN C C 174.67 0 . 133 78 34 ASN CA C 53.041 0 . 134 78 34 ASN CB C 39.02 0 . 135 78 34 ASN N N 119.423 0 . 136 79 35 ALA C C 177.202 0 . 137 79 35 ALA CA C 52.5 0 . 138 79 35 ALA CB C 19.58 0 . 139 79 35 ALA N N 124.295 0 . 140 80 36 ASP C C 175.79 0 . 141 80 36 ASP CA C 54.3 0 . 142 80 36 ASP CB C 41.06 0 . 143 80 36 ASP N N 119.741 0 . 144 81 37 VAL C C 174.377 0 . 145 81 37 VAL CA C 59.539 0 . 146 81 37 VAL CB C 32.6 0 . 147 81 37 VAL CG1 C 21.499 0 . 148 81 37 VAL CG2 C 20.614 0 . 149 81 37 VAL N N 121.24 0 . 150 82 38 PRO C C 176.795 0 . 151 82 38 PRO CA C 62.836 0 . 152 82 38 PRO CB C 32.066 0 . 153 82 38 PRO CG C 27.139 0 . 154 82 38 PRO CD C 50.734 0 . 155 82 38 PRO N N 138.967 0 . 156 83 39 GLU C C 176.242 0 . 157 83 39 GLU CA C 56.57 0 . 158 83 39 GLU CB C 30.39 0 . 159 83 39 GLU N N 121.064 0 . 160 84 40 GLN C C 173.848 0 . 161 84 40 GLN CA C 53.085 0 . 162 84 40 GLN CB C 29.326 0 . 163 84 40 GLN N N 122.013 0 . 164 85 41 PRO C C 176.162 0 . 165 85 41 PRO CA C 62.762 0 . 166 85 41 PRO CB C 32.001 0 . 167 85 41 PRO CG C 27.03 0 . 168 85 41 PRO CD C 50.401 0 . 169 85 41 PRO N N 136.76 0 . 170 86 42 ASP C C 175.441 0 . 171 86 42 ASP CA C 54.14 0 . 172 86 42 ASP CB C 41.363 0 . 173 86 42 ASP N N 119.956 0 . 174 87 43 PHE C C 173.913 0 . 175 87 43 PHE CA C 55.487 0 . 176 87 43 PHE CB C 39.21 0 . 177 87 43 PHE N N 120.672 0 . 178 88 44 PRO C C 176.374 0 . 179 88 44 PRO CA C 63.076 0 . 180 88 44 PRO CB C 32.001 0 . 181 88 44 PRO CG C 26.984 0 . 182 88 44 PRO CD C 50.286 0 . 183 88 44 PRO N N 136.361 0 . 184 89 45 ASP C C 175.837 0 . 185 89 45 ASP CA C 54.014 0 . 186 89 45 ASP CB C 41.18 0 . 187 89 45 ASP N N 120.205 0 . 188 90 46 VAL C C 174.485 0 . 189 90 46 VAL CA C 59.621 0 . 190 90 46 VAL CB C 32.456 0 . 191 90 46 VAL CG1 C 21.551 0 . 192 90 46 VAL CG2 C 20.604 0 . 193 90 46 VAL N N 120.963 0 . 194 91 47 PRO C C 177.069 0 . 195 91 47 PRO CA C 63.087 0 . 196 91 47 PRO CB C 32.08 0 . 197 91 47 PRO CG C 27.305 0 . 198 91 47 PRO CD C 50.802 0 . 199 91 47 PRO N N 139.066 0 . 200 92 48 SER C C 174.726 0 . 201 92 48 SER CA C 58.082 0 . 202 92 48 SER CB C 63.74 0 . 203 92 48 SER N N 115.944 0 . 204 93 49 LYS C C 176.618 0 . 205 93 49 LYS CA C 56.225 0 . 206 93 49 LYS CB C 33.16 0 . 207 93 49 LYS N N 123.172 0 . 208 94 50 SER C C 174.569 0 . 209 94 50 SER CA C 58.41 0 . 210 94 50 SER CB C 63.61 0 . 211 94 50 SER N N 117.111 0 . 212 95 51 GLN C C 175.816 0 . 213 95 51 GLN CA C 55.76 0 . 214 95 51 GLN CB C 29.357 0 . 215 95 51 GLN N N 122.028 0 . 216 96 52 GLU C C 176.514 0 . 217 96 52 GLU CA C 56.551 0 . 218 96 52 GLU CB C 30.509 0 . 219 96 52 GLU N N 121.804 0 . 220 97 53 THR C C 174.309 0 . 221 97 53 THR CA C 61.355 0 . 222 97 53 THR CB C 69.876 0 . 223 97 53 THR N N 115.535 0 . 224 98 54 VAL C C 175.596 0 . 225 98 54 VAL CA C 61.84 0 . 226 98 54 VAL CB C 32.786 0 . 227 98 54 VAL N N 122.172 0 . 228 99 55 ASP C C 175.786 0 . 229 99 55 ASP CA C 54.029 0 . 230 99 55 ASP CB C 41.302 0 . 231 99 55 ASP N N 124.263 0 . 232 100 56 ASP C C 175.909 0 . 233 100 56 ASP CA C 54.449 0 . 234 100 56 ASP CB C 41.576 0 . 235 100 56 ASP N N 121.113 0 . 236 101 57 ASP C C 175.977 0 . 237 101 57 ASP CA C 54.159 0 . 238 101 57 ASP CB C 40.95 0 . 239 101 57 ASP N N 120.803 0 . 240 102 58 ASP C C 176.025 0 . 241 102 58 ASP CA C 54.019 0 . 242 102 58 ASP CB C 41.312 0 . 243 102 58 ASP N N 120.939 0 . 244 103 59 ASP C C 176.079 0 . 245 103 59 ASP CA C 54.344 0 . 246 103 59 ASP CB C 41.52 0 . 247 103 59 ASP N N 121.111 0 . 248 104 60 ASP C C 176.191 0 . 249 104 60 ASP CA C 54.029 0 . 250 104 60 ASP CB C 40.97 0 . 251 104 60 ASP N N 120.916 0 . 252 105 61 ASP C C 176.17 0 . 253 105 61 ASP CA C 54.331 0 . 254 105 61 ASP CB C 40.97 0 . 255 105 61 ASP N N 120.901 0 . 256 106 62 ASN C C 175.142 0 . 257 106 62 ASN CA C 53.521 0 . 258 106 62 ASN CB C 39.239 0 . 259 106 62 ASN N N 119.193 0 . 260 107 63 ASP C C 176.376 0 . 261 107 63 ASP CA C 54.425 0 . 262 107 63 ASP CB C 41.206 0 . 263 107 63 ASP N N 121.149 0 . 264 108 64 SER C C 174.449 0 . 265 108 64 SER CA C 58.51 0 . 266 108 64 SER CB C 63.67 0 . 267 108 64 SER N N 115.919 0 . 268 109 65 ASN C C 174.937 0 . 269 109 65 ASN CA C 53.31 0 . 270 109 65 ASN CB C 39.2 0 . 271 109 65 ASN N N 120.76 0 . 272 110 66 ASP C C 176.328 0 . 273 110 66 ASP CA C 54.423 0 . 274 110 66 ASP CB C 41.14 0 . 275 110 66 ASP N N 121.105 0 . 276 111 67 THR C C 174.26 0 . 277 111 67 THR CA C 61.443 0 . 278 111 67 THR CB C 69.86 0 . 279 111 67 THR N N 113.695 0 . 280 112 68 ASP C C 176.3 0 . 281 112 68 ASP CA C 54.42 0 . 282 112 68 ASP CB C 41.42 0 . 283 112 68 ASP N N 123.052 0 . 284 113 69 GLU C C 176.567 0 . 285 113 69 GLU CA C 56.54 0 . 286 113 69 GLU CB C 30.2 0 . 287 113 69 GLU N N 121.676 0 . 288 114 70 SER C C 174.37 0 . 289 114 70 SER CA C 58.234 0 . 290 114 70 SER CB C 63.82 0 . 291 114 70 SER N N 116.645 0 . 292 115 71 ASP C C 176.151 0 . 293 115 71 ASP CA C 54.135 0 . 294 115 71 ASP CB C 41.284 0 . 295 115 71 ASP N N 122.515 0 . 296 116 72 GLU C C 176.056 0 . 297 116 72 GLU CA C 56.153 0 . 298 116 72 GLU CB C 30.428 0 . 299 116 72 GLU N N 120.914 0 . 300 117 73 VAL C C 175.672 0 . 301 117 73 VAL CA C 61.975 0 . 302 117 73 VAL CB C 32.788 0 . 303 117 73 VAL N N 120.706 0 . 304 118 74 PHE C C 175.716 0 . 305 118 74 PHE CA C 57.56 0 . 306 118 74 PHE CB C 39.78 0 . 307 118 74 PHE N N 123.995 0 . 308 119 75 THR C C 173.551 0 . 309 119 75 THR CA C 61.38 0 . 310 119 75 THR CB C 69.78 0 . 311 119 75 THR N N 115.67 0 . 312 120 76 ASP C C 175.187 0 . 313 120 76 ASP CA C 53.837 0 . 314 120 76 ASP CB C 41.189 0 . 315 120 76 ASP N N 122.36 0 . 316 121 77 PHE C C 173.857 0 . 317 121 77 PHE CA C 55.449 0 . 318 121 77 PHE CB C 39.012 0 . 319 121 77 PHE N N 120.936 0 . 320 122 78 PRO C C 176.997 0 . 321 122 78 PRO CA C 63.036 0 . 322 122 78 PRO CB C 31.813 0 . 323 122 78 PRO CG C 27.046 0 . 324 122 78 PRO CD C 50.434 0 . 325 122 78 PRO N N 137.127 0 . 326 123 79 THR C C 174.552 0 . 327 123 79 THR CA C 61.98 0 . 328 123 79 THR CB C 69.77 0 . 329 123 79 THR N N 114.21 0 . 330 124 80 GLU C C 175.589 0 . 331 124 80 GLU CA C 56.09 0 . 332 124 80 GLU CB C 30.398 0 . 333 124 80 GLU N N 122.627 0 . 334 125 81 ALA C C 175.345 0 . 335 125 81 ALA CA C 50.211 0 . 336 125 81 ALA CB C 18.281 0 . 337 125 81 ALA N N 126.231 0 . 338 126 82 PRO C C 176.773 0 . 339 126 82 PRO CA C 62.84 0 . 340 126 82 PRO CB C 31.844 0 . 341 126 82 PRO CG C 27.143 0 . 342 126 82 PRO CD C 50.237 0 . 343 126 82 PRO N N 135.313 0 . 344 127 83 VAL C C 175.508 0 . 345 127 83 VAL CA C 61.778 0 . 346 127 83 VAL CB C 32.9 0 . 347 127 83 VAL N N 119.694 0 . 348 128 84 ALA C C 175.512 0 . 349 128 84 ALA CA C 50.36 0 . 350 128 84 ALA CB C 18.369 0 . 351 128 84 ALA N N 128.519 0 . 352 129 85 PRO C C 176.643 0 . 353 129 85 PRO CA C 63.087 0 . 354 129 85 PRO CB C 31.725 0 . 355 129 85 PRO CG C 27.084 0 . 356 129 85 PRO CD C 50.177 0 . 357 129 85 PRO N N 134.475 0 . 358 130 86 PHE C C 175.35 0 . 359 130 86 PHE CA C 57.525 0 . 360 130 86 PHE CB C 39.544 0 . 361 130 86 PHE N N 119.017 0 . 362 131 87 ASN C C 174.813 0 . 363 131 87 ASN CA C 52.849 0 . 364 131 87 ASN CB C 39.013 0 . 365 131 87 ASN N N 120.509 0 . 366 132 88 ARG C C 176.704 0 . 367 132 88 ARG CA C 56.311 0 . 368 132 88 ARG CB C 30.27 0 . 369 132 88 ARG N N 121.496 0 . 370 133 89 GLY C C 174.019 0 . 371 133 89 GLY CA C 45.258 0 . 372 133 89 GLY N N 109.228 0 . 373 134 90 ASP C C 176.285 0 . 374 134 90 ASP CA C 54.38 0 . 375 134 90 ASP CB C 41.16 0 . 376 134 90 ASP N N 120.241 0 . 377 135 91 ASN C C 175.198 0 . 378 135 91 ASN CA C 53.47 0 . 379 135 91 ASN CB C 38.82 0 . 380 135 91 ASN N N 118.784 0 . 381 136 92 ALA C C 178.207 0 . 382 136 92 ALA CA C 53.06 0 . 383 136 92 ALA CB C 19.14 0 . 384 136 92 ALA N N 123.546 0 . 385 137 93 GLY C C 174.422 0 . 386 137 93 GLY CA C 45.53 0 . 387 137 93 GLY N N 107.715 0 . 388 138 94 ARG C C 176.968 0 . 389 138 94 ARG CA C 56.31 0 . 390 138 94 ARG CB C 30.83 0 . 391 138 94 ARG N N 120.104 0 . 392 139 95 GLY C C 173.965 0 . 393 139 95 GLY CA C 45.46 0 . 394 139 95 GLY N N 109.524 0 . 395 140 96 ASP C C 176.466 0 . 396 140 96 ASP CA C 54.35 0 . 397 140 96 ASP CB C 41.19 0 . 398 140 96 ASP N N 120.247 0 . 399 141 97 SER C C 174.776 0 . 400 141 97 SER CA C 58.63 0 . 401 141 97 SER CB C 63.52 0 . 402 141 97 SER N N 115.556 0 . 403 142 98 VAL C C 175.895 0 . 404 142 98 VAL CA C 62.239 0 . 405 142 98 VAL CB C 32.344 0 . 406 142 98 VAL N N 121.075 0 . 407 143 99 ALA C C 177.366 0 . 408 143 99 ALA CA C 52.51 0 . 409 143 99 ALA CB C 19.33 0 . 410 143 99 ALA N N 126.166 0 . 411 144 100 TYR C C 176.437 0 . 412 144 100 TYR CA C 58.33 0 . 413 144 100 TYR CB C 38.79 0 . 414 144 100 TYR N N 118.843 0 . 415 145 101 GLY C C 173.963 0 . 416 145 101 GLY CA C 45.37 0 . 417 145 101 GLY N N 109.601 0 . 418 146 102 PHE C C 175.769 0 . 419 146 102 PHE CA C 58.102 0 . 420 146 102 PHE CB C 39.61 0 . 421 146 102 PHE N N 119.938 0 . 422 147 103 ARG C C 175.634 0 . 423 147 103 ARG CA C 55.9 0 . 424 147 103 ARG CB C 30.87 0 . 425 147 103 ARG N N 122.372 0 . 426 148 104 ALA C C 177.679 0 . 427 148 104 ALA CA C 52.54 0 . 428 148 104 ALA CB C 19.42 0 . 429 148 104 ALA N N 124.661 0 . 430 149 105 LYS C C 176.291 0 . 431 149 105 LYS CA C 56.225 0 . 432 149 105 LYS CB C 32.963 0 . 433 149 105 LYS N N 120.012 0 . 434 150 106 ALA C C 177.427 0 . 435 150 106 ALA CA C 52.534 0 . 436 150 106 ALA CB C 19.348 0 . 437 150 106 ALA N N 124.155 0 . 438 151 107 HIS C C 174.875 0 . 439 151 107 HIS CA C 55.603 0 . 440 151 107 HIS CB C 30.113 0 . 441 151 107 HIS N N 118.364 0 . 442 152 108 VAL C C 175.888 0 . 443 152 108 VAL CA C 62.211 0 . 444 152 108 VAL CB C 32.709 0 . 445 152 108 VAL N N 121.905 0 . 446 153 109 VAL C C 176.065 0 . 447 153 109 VAL CA C 62.239 0 . 448 153 109 VAL CB C 32.443 0 . 449 153 109 VAL N N 124.299 0 . 450 154 110 LYS C C 176.266 0 . 451 154 110 LYS CA C 56.313 0 . 452 154 110 LYS CB C 32.801 0 . 453 154 110 LYS N N 125.406 0 . 454 155 111 ALA C C 177.802 0 . 455 155 111 ALA CA C 52.78 0 . 456 155 111 ALA CB C 19.38 0 . 457 155 111 ALA N N 125.255 0 . 458 156 112 SER C C 174.76 0 . 459 156 112 SER CA C 58.171 0 . 460 156 112 SER CB C 63.743 0 . 461 156 112 SER N N 114.906 0 . 462 157 113 LYS C C 176.578 0 . 463 157 113 LYS CA C 56.55 0 . 464 157 113 LYS CB C 32.83 0 . 465 157 113 LYS N N 122.968 0 . 466 158 114 ILE C C 176.222 0 . 467 158 114 ILE CA C 61.001 0 . 468 158 114 ILE CB C 38.322 0 . 469 158 114 ILE N N 121.233 0 . 470 159 115 ARG C C 176.244 0 . 471 159 115 ARG CA C 56.21 0 . 472 159 115 ARG CB C 30.85 0 . 473 159 115 ARG N N 125.165 0 . 474 160 116 LYS C C 176.319 0 . 475 160 116 LYS CA C 56.62 0 . 476 160 116 LYS CB C 32.94 0 . 477 160 116 LYS N N 122.907 0 . 478 161 117 ALA C C 177.369 0 . 479 161 117 ALA CA C 52.245 0 . 480 161 117 ALA CB C 19.41 0 . 481 161 117 ALA N N 124.755 0 . 482 162 118 ALA C C 177.642 0 . 483 162 118 ALA CA C 52.49 0 . 484 162 118 ALA CB C 19.34 0 . 485 162 118 ALA N N 123.164 0 . 486 163 119 ARG C C 176.076 0 . 487 163 119 ARG CA C 55.96 0 . 488 163 119 ARG CB C 30.91 0 . 489 163 119 ARG N N 120.012 0 . 490 164 120 LYS C C 176.192 0 . 491 164 120 LYS CA C 56.38 0 . 492 164 120 LYS CB C 33.15 0 . 493 164 120 LYS N N 122.481 0 . 494 165 121 LEU C C 177.063 0 . 495 165 121 LEU CA C 55.41 0 . 496 165 121 LEU CB C 42.26 0 . 497 165 121 LEU N N 123.576 0 . 498 166 122 ILE C C 176.062 0 . 499 166 122 ILE CA C 60.824 0 . 500 166 122 ILE CB C 38.624 0 . 501 166 122 ILE N N 120.794 0 . 502 167 123 GLU C C 176.1 0 . 503 167 123 GLU CA C 56.57 0 . 504 167 123 GLU CB C 30.36 0 . 505 167 123 GLU N N 124.437 0 . 506 168 124 ASP C C 175.932 0 . 507 168 124 ASP CA C 54.47 0 . 508 168 124 ASP CB C 41.44 0 . 509 168 124 ASP N N 121.321 0 . 510 169 125 ASP C C 176.077 0 . 511 169 125 ASP CA C 54.32 0 . 512 169 125 ASP CB C 41.2 0 . 513 169 125 ASP N N 120.633 0 . 514 170 126 ALA C C 178.032 0 . 515 170 126 ALA CA C 52.71 0 . 516 170 126 ALA CB C 19.46 0 . 517 170 126 ALA N N 124.032 0 . 518 171 127 THR C C 174.909 0 . 519 171 127 THR CA C 61.96 0 . 520 171 127 THR CB C 69.76 0 . 521 171 127 THR N N 113.072 0 . 522 172 128 THR C C 174.608 0 . 523 172 128 THR CA C 61.443 0 . 524 172 128 THR CB C 69.84 0 . 525 172 128 THR N N 115.945 0 . 526 173 129 GLU C C 176.205 0 . 527 173 129 GLU CA C 56.45 0 . 528 173 129 GLU CB C 30.36 0 . 529 173 129 GLU N N 123.108 0 . 530 174 130 ASP C C 176.851 0 . 531 174 130 ASP CA C 54.49 0 . 532 174 130 ASP CB C 41.31 0 . 533 174 130 ASP N N 121.3 0 . 534 175 131 GLY C C 174.142 0 . 535 175 131 GLY CA C 45.69 0 . 536 175 131 GLY N N 109.256 0 . 537 176 132 ASP C C 176.391 0 . 538 176 132 ASP CA C 54.37 0 . 539 176 132 ASP CB C 41.34 0 . 540 176 132 ASP N N 120.408 0 . 541 177 133 SER C C 174.209 0 . 542 177 133 SER CA C 58.31 0 . 543 177 133 SER CB C 63.72 0 . 544 177 133 SER N N 115.673 0 . 545 178 134 GLN C C 173.898 0 . 546 178 134 GLN CA C 53.483 0 . 547 178 134 GLN CB C 28.895 0 . 548 178 134 GLN N N 122.505 0 . 549 179 135 PRO C C 176.649 0 . 550 179 135 PRO CA C 62.947 0 . 551 179 135 PRO CB C 31.972 0 . 552 179 135 PRO CG C 27.1 0 . 553 179 135 PRO CD C 50.387 0 . 554 179 135 PRO N N 137.434 0 . 555 180 136 ALA C C 178.256 0 . 556 180 136 ALA CA C 52.7 0 . 557 180 136 ALA CB C 19.44 0 . 558 180 136 ALA N N 124.097 0 . 559 181 137 GLY C C 173.903 0 . 560 181 137 GLY CA C 45.194 0 . 561 181 137 GLY N N 107.414 0 . 562 182 138 LEU C C 176.503 0 . 563 182 138 LEU CA C 55.222 0 . 564 182 138 LEU CB C 42.378 0 . 565 182 138 LEU N N 121.161 0 . 566 183 139 TRP C C 174.97 0 . 567 183 139 TRP CA C 56.728 0 . 568 183 139 TRP CB C 29.889 0 . 569 183 139 TRP N N 120.842 0 . 570 184 140 TRP C C 173.521 0 . 571 184 140 TRP CA C 54.294 0 . 572 184 140 TRP CB C 29.461 0 . 573 184 140 TRP N N 123.984 0 . 574 185 141 PRO C C 176.917 0 . 575 185 141 PRO CA C 62.758 0 . 576 185 141 PRO CB C 31.813 0 . 577 185 141 PRO CG C 27.367 0 . 578 185 141 PRO CD C 50.284 0 . 579 185 141 PRO N N 136.419 0 . 580 186 142 LYS C C 176.874 0 . 581 186 142 LYS CA C 56.86 0 . 582 186 142 LYS CB C 33.06 0 . 583 186 142 LYS N N 121.544 0 . 584 187 143 GLU C C 176.512 0 . 585 187 143 GLU CA C 56.8 0 . 586 187 143 GLU CB C 30.19 0 . 587 187 143 GLU N N 120.904 0 . 588 188 144 SER C C 174.723 0 . 589 188 144 SER CA C 58.31 0 . 590 188 144 SER CB C 63.68 0 . 591 188 144 SER N N 116.645 0 . 592 189 145 ARG C C 176.449 0 . 593 189 145 ARG CA C 56.324 0 . 594 189 145 ARG CB C 30.644 0 . 595 189 145 ARG N N 122.787 0 . 596 190 146 GLU C C 176.659 0 . 597 190 146 GLU CA C 56.76 0 . 598 190 146 GLU CB C 29.979 0 . 599 190 146 GLU N N 121.159 0 . 600 191 147 GLN C C 175.838 0 . 601 191 147 GLN CA C 55.996 0 . 602 191 147 GLN CB C 29.091 0 . 603 191 147 GLN N N 120.842 0 . 604 192 148 ASN C C 175.333 0 . 605 192 148 ASN CA C 53.39 0 . 606 192 148 ASN CB C 38.96 0 . 607 192 148 ASN N N 119.455 0 . 608 193 149 SER C C 174.604 0 . 609 193 149 SER CA C 58.525 0 . 610 193 149 SER CB C 63.743 0 . 611 193 149 SER N N 116.168 0 . 612 194 150 ARG C C 176.039 0 . 613 194 150 ARG CA C 55.888 0 . 614 194 150 ARG CB C 30.585 0 . 615 194 150 ARG N N 122.251 0 . 616 195 151 GLU C C 176.034 0 . 617 195 151 GLU CA C 56.294 0 . 618 195 151 GLU CB C 30.27 0 . 619 195 151 GLU N N 121.111 0 . 620 196 152 LEU C C 175.267 0 . 621 196 152 LEU CA C 53.015 0 . 622 196 152 LEU CB C 41.59 0 . 623 196 152 LEU N N 124.466 0 . 624 197 153 PRO C C 177.02 0 . 625 197 153 PRO CA C 63.017 0 . 626 197 153 PRO CB C 31.837 0 . 627 197 153 PRO CG C 27.312 0 . 628 197 153 PRO CD C 50.341 0 . 629 197 153 PRO N N 136.065 0 . 630 198 154 GLN C C 175.966 0 . 631 198 154 GLN CA C 55.813 0 . 632 198 154 GLN CB C 29.347 0 . 633 198 154 GLN N N 119.951 0 . 634 199 155 HIS C C 174.941 0 . 635 199 155 HIS CA C 55.867 0 . 636 199 155 HIS CB C 30.42 0 . 637 199 155 HIS N N 119.641 0 . 638 200 156 GLN C C 175.71 0 . 639 200 156 GLN CA C 55.576 0 . 640 200 156 GLN CB C 29.711 0 . 641 200 156 GLN N N 121.561 0 . 642 201 157 SER C C 174.566 0 . 643 201 157 SER CA C 58.28 0 . 644 201 157 SER CB C 63.71 0 . 645 201 157 SER N N 117.534 0 . 646 202 158 VAL C C 176.209 0 . 647 202 158 VAL CA C 62.26 0 . 648 202 158 VAL CB C 32.79 0 . 649 202 158 VAL N N 121.236 0 . 650 203 159 GLU C C 176.352 0 . 651 203 159 GLU CA C 56.72 0 . 652 203 159 GLU CB C 30.14 0 . 653 203 159 GLU N N 123.757 0 . 654 204 160 ASN C C 174.979 0 . 655 204 160 ASN CA C 53.42 0 . 656 204 160 ASN CB C 38.835 0 . 657 204 160 ASN N N 119.59 0 . 658 205 161 ASP C C 176.247 0 . 659 205 161 ASP CA C 54.305 0 . 660 205 161 ASP CB C 41.138 0 . 661 205 161 ASP N N 120.909 0 . 662 206 162 SER C C 174.295 0 . 663 206 162 SER CA C 58.192 0 . 664 206 162 SER CB C 63.735 0 . 665 206 162 SER N N 116.03 0 . 666 207 163 ARG C C 174.096 0 . 667 207 163 ARG CA C 54.082 0 . 668 207 163 ARG CB C 30.103 0 . 669 207 163 ARG N N 123.516 0 . 670 208 164 PRO C C 176.622 0 . 671 208 164 PRO CA C 62.84 0 . 672 208 164 PRO CB C 31.994 0 . 673 208 164 PRO CG C 27.36 0 . 674 208 164 PRO CD C 50.43 0 . 675 208 164 PRO N N 136.958 0 . 676 209 165 LYS C C 176.312 0 . 677 209 165 LYS CA C 55.975 0 . 678 209 165 LYS CB C 33.136 0 . 679 209 165 LYS N N 121.248 0 . 680 210 166 PHE C C 175.172 0 . 681 210 166 PHE CA C 57.11 0 . 682 210 166 PHE CB C 39.632 0 . 683 210 166 PHE N N 120.591 0 . 684 211 167 ASP C C 176.086 0 . 685 211 167 ASP CA C 53.83 0 . 686 211 167 ASP CB C 41.54 0 . 687 211 167 ASP N N 122.224 0 . 688 212 168 SER C C 174.683 0 . 689 212 168 SER CA C 58.66 0 . 690 212 168 SER CB C 63.58 0 . 691 212 168 SER N N 116.95 0 . 692 213 169 ARG CA C 56.225 0 . 693 213 169 ARG CB C 30.575 0 . 694 213 169 ARG N N 122.314 0 . 695 214 170 GLU C C 176.623 0 . 696 214 170 GLU CA C 56.551 0 . 697 214 170 GLU CB C 29.956 0 . 698 215 171 VAL C C 175.934 0 . 699 215 171 VAL CA C 62.22 0 . 700 215 171 VAL CB C 32.92 0 . 701 215 171 VAL N N 119.964 0 . 702 216 172 ASP C C 176.742 0 . 703 216 172 ASP CA C 54.38 0 . 704 216 172 ASP CB C 41.3 0 . 705 216 172 ASP N N 123.583 0 . 706 217 173 GLY C C 175.013 0 . 707 217 173 GLY CA C 45.611 0 . 708 217 173 GLY N N 109.77 0 . 709 218 174 GLY C C 174.063 0 . 710 218 174 GLY CA C 45.256 0 . 711 218 174 GLY N N 108.821 0 . 712 219 175 ASP C C 176.699 0 . 713 219 175 ASP CA C 54.27 0 . 714 219 175 ASP CB C 41.35 0 . 715 219 175 ASP N N 120.432 0 . 716 220 176 SER C C 174.963 0 . 717 220 176 SER CA C 58.436 0 . 718 220 176 SER CB C 63.478 0 . 719 220 176 SER N N 116.506 0 . 720 221 177 LYS C C 176.655 0 . 721 221 177 LYS CA C 56.49 0 . 722 221 177 LYS CB C 32.68 0 . 723 221 177 LYS N N 122.729 0 . 724 222 178 ALA C C 177.968 0 . 725 222 178 ALA CA C 52.81 0 . 726 222 178 ALA CB C 19.25 0 . 727 222 178 ALA N N 124.328 0 . 728 223 179 SER C C 174.364 0 . 729 223 179 SER CA C 58.082 0 . 730 223 179 SER CB C 63.7 0 . 731 223 179 SER N N 114.69 0 . 732 224 180 ALA C C 178.104 0 . 733 224 180 ALA CA C 52.71 0 . 734 224 180 ALA CB C 19.45 0 . 735 224 180 ALA N N 125.638 0 . 736 225 181 GLY C C 174.288 0 . 737 225 181 GLY CA C 45.3 0 . 738 225 181 GLY N N 107.967 0 . 739 226 182 VAL C C 175.943 0 . 740 226 182 VAL CA C 62.31 0 . 741 226 182 VAL CB C 32.85 0 . 742 226 182 VAL N N 118.77 0 . 743 227 183 ASP C C 176.424 0 . 744 227 183 ASP CA C 54.24 0 . 745 227 183 ASP CB C 41.29 0 . 746 227 183 ASP N N 123.612 0 . 747 228 184 SER C C 174.962 0 . 748 228 184 SER CA C 58.63 0 . 749 228 184 SER CB C 63.58 0 . 750 228 184 SER N N 117.03 0 . 751 229 185 ARG C C 176.799 0 . 752 229 185 ARG CA C 56.49 0 . 753 229 185 ARG CB C 30.47 0 . 754 229 185 ARG N N 122.573 0 . 755 230 186 GLU C C 176.797 0 . 756 230 186 GLU CA C 56.86 0 . 757 230 186 GLU CB C 30.1 0 . 758 230 186 GLU N N 120.754 0 . 759 231 187 SER C C 174.694 0 . 760 231 187 SER CA C 58.348 0 . 761 231 187 SER CB C 63.566 0 . 762 231 187 SER N N 116.179 0 . 763 232 188 GLN C C 176.47 0 . 764 232 188 GLN CA C 56.08 0 . 765 232 188 GLN CB C 29.18 0 . 766 232 188 GLN N N 122.003 0 . 767 233 189 GLY C C 174.039 0 . 768 233 189 GLY CA C 45.36 0 . 769 233 189 GLY N N 109.597 0 . 770 234 190 SER C C 174.163 0 . 771 234 190 SER CA C 58.057 0 . 772 234 190 SER CB C 63.81 0 . 773 234 190 SER N N 115.611 0 . 774 235 191 VAL C C 174.419 0 . 775 235 191 VAL CA C 59.532 0 . 776 235 191 VAL CB C 32.528 0 . 777 235 191 VAL CG1 C 21.282 0 . 778 235 191 VAL CG2 C 20.474 0 . 779 235 191 VAL N N 122.657 0 . 780 236 192 PRO C C 176.472 0 . 781 236 192 PRO CA C 62.96 0 . 782 236 192 PRO CB C 31.99 0 . 783 236 192 PRO CG C 27.26 0 . 784 236 192 PRO CD C 50.848 0 . 785 236 192 PRO N N 139.541 0 . 786 237 193 ALA C C 177.855 0 . 787 237 193 ALA CA C 52.32 0 . 788 237 193 ALA CB C 19.42 0 . 789 237 193 ALA N N 124.56 0 . 790 238 194 VAL C C 175.807 0 . 791 238 194 VAL CA C 62.13 0 . 792 238 194 VAL CB C 32.723 0 . 793 238 194 VAL N N 118.843 0 . 794 239 195 ASP C C 176.131 0 . 795 239 195 ASP CA C 53.925 0 . 796 239 195 ASP CB C 41.26 0 . 797 239 195 ASP N N 123.706 0 . 798 240 196 ALA C C 178.07 0 . 799 240 196 ALA CA C 52.84 0 . 800 240 196 ALA CB C 19.2 0 . 801 240 196 ALA N N 125.24 0 . 802 241 197 SER C C 174.618 0 . 803 241 197 SER CA C 59.06 0 . 804 241 197 SER CB C 63.62 0 . 805 241 197 SER N N 114.623 0 . 806 242 198 ASN C C 175.145 0 . 807 242 198 ASN CA C 53.37 0 . 808 242 198 ASN CB C 38.82 0 . 809 242 198 ASN N N 120.104 0 . 810 243 199 GLN C C 176.081 0 . 811 243 199 GLN CA C 56 0 . 812 243 199 GLN CB C 29.5 0 . 813 243 199 GLN N N 120.319 0 . 814 244 200 THR C C 174.439 0 . 815 244 200 THR CA C 61.97 0 . 816 244 200 THR CB C 69.66 0 . 817 244 200 THR N N 115.615 0 . 818 245 201 LEU C C 177.317 0 . 819 245 201 LEU CA C 55.25 0 . 820 245 201 LEU CB C 42.43 0 . 821 245 201 LEU N N 124.763 0 . 822 246 202 GLU C C 176.436 0 . 823 246 202 GLU CA C 56.64 0 . 824 246 202 GLU CB C 30.38 0 . 825 246 202 GLU N N 121.834 0 . 826 247 203 SER C C 174.333 0 . 827 247 203 SER CA C 58.04 0 . 828 247 203 SER CB C 63.89 0 . 829 247 203 SER N N 116.668 0 . 830 248 204 ALA C C 177.94 0 . 831 248 204 ALA CA C 52.711 0 . 832 248 204 ALA CB C 19.42 0 . 833 248 204 ALA N N 126.394 0 . 834 249 205 GLU C C 176.422 0 . 835 249 205 GLU CA C 56.667 0 . 836 249 205 GLU CB C 30.26 0 . 837 249 205 GLU N N 119.741 0 . 838 250 206 ASP C C 176.103 0 . 839 250 206 ASP CA C 54.248 0 . 840 250 206 ASP CB C 41.315 0 . 841 250 206 ASP N N 120.934 0 . 842 251 207 ALA C C 178.016 0 . 843 251 207 ALA CA C 52.599 0 . 844 251 207 ALA CB C 19.5 0 . 845 251 207 ALA N N 124.097 0 . 846 252 208 GLU C C 176.487 0 . 847 252 208 GLU CA C 56.96 0 . 848 252 208 GLU CB C 30.16 0 . 849 252 208 GLU N N 119.488 0 . 850 253 209 ASP C C 176.474 0 . 851 253 209 ASP CA C 54.35 0 . 852 253 209 ASP CB C 41.087 0 . 853 253 209 ASP N N 120.841 0 . 854 254 210 ARG C C 176.491 0 . 855 254 210 ARG CA C 56.3 0 . 856 254 210 ARG CB C 30.38 0 . 857 254 210 ARG N N 121.236 0 . 858 255 211 HIS C C 175.102 0 . 859 255 211 HIS CA C 56 0 . 860 255 211 HIS CB C 29.425 0 . 861 255 211 HIS N N 119.174 0 . 862 256 212 SER C C 174.615 0 . 863 256 212 SER CA C 58.171 0 . 864 256 212 SER CB C 63.56 0 . 865 256 212 SER N N 116.64 0 . 866 257 213 ILE C C 176.368 0 . 867 257 213 ILE CA C 61.157 0 . 868 257 213 ILE CB C 38.73 0 . 869 257 213 ILE N N 121.769 0 . 870 258 214 GLU C C 176.156 0 . 871 258 214 GLU CA C 56.7 0 . 872 258 214 GLU CB C 30.163 0 . 873 258 214 GLU N N 123.786 0 . 874 259 215 ASN C C 174.884 0 . 875 259 215 ASN CA C 53.008 0 . 876 259 215 ASN CB C 38.658 0 . 877 259 215 ASN N N 119.52 0 . 878 260 216 ASN C C 175.085 0 . 879 260 216 ASN CA C 53.273 0 . 880 260 216 ASN CB C 39.101 0 . 881 260 216 ASN N N 119.409 0 . 882 261 217 GLU C C 176.383 0 . 883 261 217 GLU CA C 56.817 0 . 884 261 217 GLU CB C 30.066 0 . 885 261 217 GLU N N 120.959 0 . 886 262 218 VAL C C 176.242 0 . 887 262 218 VAL CA C 62.31 0 . 888 262 218 VAL CB C 32.79 0 . 889 262 218 VAL N N 120.706 0 . 890 263 219 THR C C 173.593 0 . 891 263 219 THR CA C 61.62 0 . 892 263 219 THR CB C 69.69 0 . 893 263 219 THR N N 118.554 0 . 894 264 220 ARG CA C 57.29 0 . 895 264 220 ARG CB C 31.498 0 . 896 264 220 ARG N N 128.892 0 . stop_ save_