data_12000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts assignments of a two-domain family GH19 chitinase allergen from Japanese cedar (Cryptomeria japonica) pollen,CJP-4. ; _BMRB_accession_number 12000 _BMRB_flat_file_name bmr12000.str _Entry_type original _Submission_date 2016-07-28 _Accession_date 2016-09-12 _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 Takashima Tomoya . . 2 Ohnuma Takayuki . . 3 Fukamizo Tamo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 216 "13C chemical shifts" 649 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-10 update BMRB 'update entry citation' 2017-03-07 original author 'original release' stop_ _Original_release_date 2016-09-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments and ligand-binding studies on a two-domain family GH19 chitinase allergen from Japanese cedar (Cryptomeria japonica) pollen ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28032262 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takashima Tomoya . . 2 Ohnuma Takayuki . . 3 Fukamizo Tamo . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 90 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CJP-4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CJP-4 $CJP-4 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_CJP-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CJP-4 _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 254 _Mol_residue_sequence ; MHHHHHHQNCGCNGLCCSQY GYCGSGEAYCGAGCKEGPCS SSSPPSTGTGVGSIVSSDVF NSIVGGAASGCAGNGFYTYD SFISAANAFNGFGTSGSSDV NKREIAAFFANAAHQTGGFC YIEEQNPTSIYCDASNTQYP CASGKTYHGRGPLQLSWNYN YGAAGSYIQFDGLNNPEIVG TDSTISFKTAVWFWMVNSNC HTAITSGQGFGATIRAINSM ECDGGNAATVASRVNYYQKF CQQLNVDTGSNLQC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . HIS 3 . HIS 4 . HIS 5 . HIS 6 . HIS 7 0 HIS 8 1 GLN 9 2 ASN 10 3 CYS 11 4 GLY 12 5 CYS 13 6 ASN 14 7 GLY 15 8 LEU 16 9 CYS 17 10 CYS 18 11 SER 19 12 GLN 20 13 TYR 21 14 GLY 22 15 TYR 23 16 CYS 24 17 GLY 25 18 SER 26 19 GLY 27 20 GLU 28 21 ALA 29 22 TYR 30 23 CYS 31 24 GLY 32 25 ALA 33 26 GLY 34 27 CYS 35 28 LYS 36 29 GLU 37 30 GLY 38 31 PRO 39 32 CYS 40 33 SER 41 34 SER 42 35 SER 43 36 SER 44 37 PRO 45 38 PRO 46 39 SER 47 40 THR 48 41 GLY 49 42 THR 50 43 GLY 51 44 VAL 52 45 GLY 53 46 SER 54 47 ILE 55 48 VAL 56 49 SER 57 50 SER 58 51 ASP 59 52 VAL 60 53 PHE 61 54 ASN 62 55 SER 63 56 ILE 64 57 VAL 65 58 GLY 66 59 GLY 67 60 ALA 68 61 ALA 69 62 SER 70 63 GLY 71 64 CYS 72 65 ALA 73 66 GLY 74 67 ASN 75 68 GLY 76 69 PHE 77 70 TYR 78 71 THR 79 72 TYR 80 73 ASP 81 74 SER 82 75 PHE 83 76 ILE 84 77 SER 85 78 ALA 86 79 ALA 87 80 ASN 88 81 ALA 89 82 PHE 90 83 ASN 91 84 GLY 92 85 PHE 93 86 GLY 94 87 THR 95 88 SER 96 89 GLY 97 90 SER 98 91 SER 99 92 ASP 100 93 VAL 101 94 ASN 102 95 LYS 103 96 ARG 104 97 GLU 105 98 ILE 106 99 ALA 107 100 ALA 108 101 PHE 109 102 PHE 110 103 ALA 111 104 ASN 112 105 ALA 113 106 ALA 114 107 HIS 115 108 GLN 116 109 THR 117 110 GLY 118 111 GLY 119 112 PHE 120 113 CYS 121 114 TYR 122 115 ILE 123 116 GLU 124 117 GLU 125 118 GLN 126 119 ASN 127 120 PRO 128 121 THR 129 122 SER 130 123 ILE 131 124 TYR 132 125 CYS 133 126 ASP 134 127 ALA 135 128 SER 136 129 ASN 137 130 THR 138 131 GLN 139 132 TYR 140 133 PRO 141 134 CYS 142 135 ALA 143 136 SER 144 137 GLY 145 138 LYS 146 139 THR 147 140 TYR 148 141 HIS 149 142 GLY 150 143 ARG 151 144 GLY 152 145 PRO 153 146 LEU 154 147 GLN 155 148 LEU 156 149 SER 157 150 TRP 158 151 ASN 159 152 TYR 160 153 ASN 161 154 TYR 162 155 GLY 163 156 ALA 164 157 ALA 165 158 GLY 166 159 SER 167 160 TYR 168 161 ILE 169 162 GLN 170 163 PHE 171 164 ASP 172 165 GLY 173 166 LEU 174 167 ASN 175 168 ASN 176 169 PRO 177 170 GLU 178 171 ILE 179 172 VAL 180 173 GLY 181 174 THR 182 175 ASP 183 176 SER 184 177 THR 185 178 ILE 186 179 SER 187 180 PHE 188 181 LYS 189 182 THR 190 183 ALA 191 184 VAL 192 185 TRP 193 186 PHE 194 187 TRP 195 188 MET 196 189 VAL 197 190 ASN 198 191 SER 199 192 ASN 200 193 CYS 201 194 HIS 202 195 THR 203 196 ALA 204 197 ILE 205 198 THR 206 199 SER 207 200 GLY 208 201 GLN 209 202 GLY 210 203 PHE 211 204 GLY 212 205 ALA 213 206 THR 214 207 ILE 215 208 ARG 216 209 ALA 217 210 ILE 218 211 ASN 219 212 SER 220 213 MET 221 214 GLU 222 215 CYS 223 216 ASP 224 217 GLY 225 218 GLY 226 219 ASN 227 220 ALA 228 221 ALA 229 222 THR 230 223 VAL 231 224 ALA 232 225 SER 233 226 ARG 234 227 VAL 235 228 ASN 236 229 TYR 237 230 TYR 238 231 GLN 239 232 LYS 240 233 PHE 241 234 CYS 242 235 GLN 243 236 GLN 244 237 LEU 245 238 ASN 246 239 VAL 247 240 ASP 248 241 THR 249 242 GLY 250 243 SER 251 244 ASN 252 245 LEU 253 246 GLN 254 247 CYS 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 $CJP-4 'Cryptomeria japonica' 3369 Eukaryota Viridiplantae Cryptomeria japonica 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 $CJP-4 'recombinant technology' . Escherichia coli . pET-Blue1 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 $CJP-4 0.3 mM '[U-95% 13C; U-95% 15N]' 'sodium acetate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 5 . pH pressure 1 . atm temperature 300 . 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 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 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' 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 CJP-4 _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 0 7 HIS C C 173.683 . 1 2 0 7 HIS CA C 55.569 . 1 3 0 7 HIS CB C 29.294 . 1 4 1 8 GLN H H 8.332 . 1 5 1 8 GLN C C 174.776 . 1 6 1 8 GLN CA C 55.399 . 1 7 1 8 GLN N N 123.982 . 1 8 2 9 ASN H H 8.533 . 1 9 2 9 ASN C C 174.708 . 1 10 2 9 ASN CA C 52.997 . 1 11 2 9 ASN CB C 38.943 . 1 12 2 9 ASN N N 121.196 . 1 13 3 10 CYS H H 8.594 . 1 14 3 10 CYS C C 174.652 . 1 15 3 10 CYS CA C 55.189 . 1 16 3 10 CYS CB C 35.458 . 1 17 3 10 CYS N N 116.063 . 1 18 4 11 GLY H H 9.137 . 1 19 4 11 GLY C C 176.544 . 1 20 4 11 GLY CA C 47.321 . 1 21 4 11 GLY N N 115.307 . 1 22 5 12 CYS H H 9.106 . 1 23 5 12 CYS C C 177.451 . 1 24 5 12 CYS CA C 53.033 . 1 25 5 12 CYS CB C 36.546 . 1 26 5 12 CYS N N 115.828 . 1 27 6 13 ASN H H 9.186 . 1 28 6 13 ASN C C 174.214 . 1 29 6 13 ASN CA C 54.061 . 1 30 6 13 ASN CB C 37.530 . 1 31 6 13 ASN N N 120.993 . 1 32 7 14 GLY H H 8.313 . 1 33 7 14 GLY C C 175.065 . 1 34 7 14 GLY CA C 44.759 . 1 35 7 14 GLY N N 105.665 . 1 36 8 15 LEU H H 6.834 . 1 37 8 15 LEU C C 176.859 . 1 38 8 15 LEU CA C 53.615 . 1 39 8 15 LEU CB C 41.909 . 1 40 8 15 LEU N N 118.421 . 1 41 9 16 CYS H H 7.974 . 1 42 9 16 CYS C C 172.480 . 1 43 9 16 CYS CA C 55.457 . 1 44 9 16 CYS CB C 47.280 . 1 45 9 16 CYS N N 117.253 . 1 46 10 17 CYS H H 7.950 . 1 47 10 17 CYS C C 173.311 . 1 48 10 17 CYS CA C 51.937 . 1 49 10 17 CYS CB C 44.937 . 1 50 10 17 CYS N N 120.736 . 1 51 11 18 SER H H 9.739 . 1 52 11 18 SER C C 174.993 . 1 53 11 18 SER CA C 57.016 . 1 54 11 18 SER CB C 67.321 . 1 55 11 18 SER N N 122.512 . 1 56 12 19 GLN H H 8.667 . 1 57 12 19 GLN C C 175.853 . 1 58 12 19 GLN CA C 57.829 . 1 59 12 19 GLN CB C 28.657 . 1 60 12 19 GLN N N 117.018 . 1 61 13 20 TYR H H 7.229 . 1 62 13 20 TYR C C 175.357 . 1 63 13 20 TYR CA C 57.102 . 1 64 13 20 TYR CB C 38.467 . 1 65 13 20 TYR N N 116.692 . 1 66 14 21 GLY H H 8.173 . 1 67 14 21 GLY C C 173.834 . 1 68 14 21 GLY CA C 45.794 . 1 69 14 21 GLY N N 107.796 . 1 70 15 22 TYR H H 7.120 . 1 71 15 22 TYR C C 175.137 . 1 72 15 22 TYR CA C 56.560 . 1 73 15 22 TYR CB C 41.003 . 1 74 15 22 TYR N N 118.461 . 1 75 16 23 CYS H H 8.923 . 1 76 16 23 CYS C C 175.265 . 1 77 16 23 CYS CA C 52.410 . 1 78 16 23 CYS CB C 38.866 . 1 79 16 23 CYS N N 119.893 . 1 80 17 24 GLY H H 8.821 . 1 81 17 24 GLY C C 169.934 . 1 82 17 24 GLY CA C 45.374 . 1 83 17 24 GLY N N 112.631 . 1 84 18 25 SER H H 7.855 . 1 85 18 25 SER C C 173.483 . 1 86 18 25 SER CA C 56.946 . 1 87 18 25 SER CB C 65.633 . 1 88 18 25 SER N N 113.749 . 1 89 19 26 GLY H H 8.019 . 1 90 19 26 GLY C C 175.179 . 1 91 19 26 GLY CA C 44.085 . 1 92 19 26 GLY N N 109.032 . 1 93 20 27 GLU H H 8.828 . 1 94 20 27 GLU C C 178.389 . 1 95 20 27 GLU CA C 59.797 . 1 96 20 27 GLU CB C 29.446 . 1 97 20 27 GLU N N 121.710 . 1 98 21 28 ALA H H 8.744 . 1 99 21 28 ALA C C 176.960 . 1 100 21 28 ALA CA C 54.137 . 1 101 21 28 ALA CB C 18.080 . 1 102 21 28 ALA N N 119.947 . 1 103 22 29 TYR H H 7.281 . 1 104 22 29 TYR C C 174.383 . 1 105 22 29 TYR CA C 59.272 . 1 106 22 29 TYR CB C 41.175 . 1 107 22 29 TYR N N 114.007 . 1 108 23 30 CYS H H 8.429 . 1 109 23 30 CYS C C 175.625 . 1 110 23 30 CYS CA C 54.058 . 1 111 23 30 CYS CB C 41.482 . 1 112 23 30 CYS N N 111.226 . 1 113 24 31 GLY H H 7.610 . 1 114 24 31 GLY C C 172.851 . 1 115 24 31 GLY CA C 44.281 . 1 116 24 31 GLY N N 109.663 . 1 117 25 32 ALA H H 8.358 . 1 118 25 32 ALA C C 178.986 . 1 119 25 32 ALA CA C 54.053 . 1 120 25 32 ALA CB C 17.833 . 1 121 25 32 ALA N N 126.254 . 1 122 26 33 GLY H H 8.753 . 1 123 26 33 GLY C C 172.870 . 1 124 26 33 GLY CA C 44.862 . 1 125 26 33 GLY N N 112.392 . 1 126 27 34 CYS H H 7.842 . 1 127 27 34 CYS C C 176.006 . 1 128 27 34 CYS CA C 57.450 . 1 129 27 34 CYS CB C 40.222 . 1 130 27 34 CYS N N 121.175 . 1 131 28 35 LYS H H 9.278 . 1 132 28 35 LYS C C 175.944 . 1 133 28 35 LYS CA C 56.388 . 1 134 28 35 LYS CB C 35.519 . 1 135 28 35 LYS N N 126.886 . 1 136 29 36 GLU H H 7.613 . 1 137 29 36 GLU C C 174.135 . 1 138 29 36 GLU CA C 56.153 . 1 139 29 36 GLU CB C 35.794 . 1 140 29 36 GLU N N 118.462 . 1 141 30 37 GLY H H 8.584 . 1 142 30 37 GLY C C 173.494 . 1 143 30 37 GLY CA C 44.203 . 1 144 30 37 GLY N N 110.742 . 1 145 31 38 PRO C C 174.728 . 1 146 31 38 PRO CA C 62.100 . 1 147 31 38 PRO CB C 27.141 . 1 148 32 39 CYS H H 8.640 . 1 149 32 39 CYS C C 176.633 . 1 150 32 39 CYS CA C 53.345 . 1 151 32 39 CYS CB C 36.471 . 1 152 32 39 CYS N N 122.869 . 1 153 33 40 SER H H 9.191 . 1 154 33 40 SER C C 174.995 . 1 155 33 40 SER CA C 59.383 . 1 156 33 40 SER CB C 63.450 . 1 157 33 40 SER N N 119.863 . 1 158 34 41 SER H H 8.510 . 1 159 34 41 SER C C 174.351 . 1 160 34 41 SER CA C 58.359 . 1 161 34 41 SER CB C 63.745 . 1 162 34 41 SER N N 117.888 . 1 163 35 42 SER H H 8.198 . 1 164 35 42 SER C C 174.035 . 1 165 35 42 SER CA C 58.096 . 1 166 35 42 SER CB C 63.798 . 1 167 35 42 SER N N 117.922 . 1 168 36 43 SER H H 8.180 . 1 169 36 43 SER C C 171.717 . 1 170 36 43 SER CA C 56.688 . 1 171 36 43 SER CB C 63.428 . 1 172 36 43 SER N N 119.192 . 1 173 38 45 PRO C C 176.939 . 1 174 38 45 PRO CA C 62.779 . 1 175 38 45 PRO CB C 31.839 . 1 176 39 46 SER H H 8.376 . 1 177 39 46 SER C C 174.925 . 1 178 39 46 SER CA C 58.136 . 1 179 39 46 SER CB C 63.641 . 1 180 39 46 SER N N 116.485 . 1 181 40 47 THR H H 8.122 . 1 182 40 47 THR C C 174.972 . 1 183 40 47 THR CA C 61.870 . 1 184 40 47 THR CB C 69.604 . 1 185 40 47 THR N N 115.623 . 1 186 41 48 GLY H H 8.305 . 1 187 41 48 GLY C C 173.832 . 1 188 41 48 GLY CA C 45.194 . 1 189 41 48 GLY N N 110.951 . 1 190 42 49 THR H H 7.941 . 1 191 42 49 THR C C 174.794 . 1 192 42 49 THR CA C 60.938 . 1 193 42 49 THR CB C 70.217 . 1 194 42 49 THR N N 112.355 . 1 195 43 50 GLY H H 8.421 . 1 196 43 50 GLY C C 175.959 . 1 197 43 50 GLY CA C 45.068 . 1 198 43 50 GLY N N 110.253 . 1 199 44 51 VAL H H 9.263 . 1 200 44 51 VAL C C 177.585 . 1 201 44 51 VAL CA C 65.768 . 1 202 44 51 VAL CB C 31.252 . 1 203 44 51 VAL N N 123.902 . 1 204 45 52 GLY H H 8.828 . 1 205 45 52 GLY C C 173.870 . 1 206 45 52 GLY CA C 46.009 . 1 207 45 52 GLY N N 110.593 . 1 208 46 53 SER H H 7.480 . 1 209 46 53 SER C C 174.834 . 1 210 46 53 SER CA C 60.095 . 1 211 46 53 SER CB C 63.524 . 1 212 46 53 SER N N 113.670 . 1 213 47 54 ILE H H 7.362 . 1 214 47 54 ILE C C 175.493 . 1 215 47 54 ILE CA C 62.265 . 1 216 47 54 ILE CB C 40.045 . 1 217 47 54 ILE N N 118.299 . 1 218 48 55 VAL H H 8.250 . 1 219 48 55 VAL C C 173.562 . 1 220 48 55 VAL CA C 60.605 . 1 221 48 55 VAL CB C 31.948 . 1 222 48 55 VAL N N 120.052 . 1 223 49 56 SER H H 7.454 . 1 224 49 56 SER C C 174.469 . 1 225 49 56 SER CA C 56.996 . 1 226 49 56 SER CB C 64.984 . 1 227 49 56 SER N N 122.002 . 1 228 50 57 SER H H 8.831 . 1 229 50 57 SER C C 176.318 . 1 230 50 57 SER CA C 61.572 . 1 231 50 57 SER CB C 65.257 . 1 232 50 57 SER N N 117.876 . 1 233 51 58 ASP H H 7.826 . 1 234 51 58 ASP C C 178.869 . 1 235 51 58 ASP CA C 57.132 . 1 236 51 58 ASP CB C 40.334 . 1 237 51 58 ASP N N 119.296 . 1 238 52 59 VAL H H 7.370 . 1 239 52 59 VAL C C 177.932 . 1 240 52 59 VAL CA C 66.187 . 1 241 52 59 VAL CB C 31.954 . 1 242 52 59 VAL N N 122.490 . 1 243 53 60 PHE C C 176.410 . 1 244 54 61 ASN H H 8.393 . 1 245 54 61 ASN C C 178.011 . 1 246 54 61 ASN CA C 55.816 . 1 247 54 61 ASN CB C 37.572 . 1 248 54 61 ASN N N 116.552 . 1 249 55 62 SER H H 7.517 . 1 250 55 62 SER C C 175.027 . 1 251 55 62 SER CA C 60.928 . 1 252 55 62 SER CB C 62.789 . 1 253 55 62 SER N N 116.765 . 1 254 56 63 ILE H H 7.210 . 1 255 56 63 ILE C C 175.379 . 1 256 56 63 ILE CA C 64.402 . 1 257 56 63 ILE CB C 37.985 . 1 258 56 63 ILE N N 124.017 . 1 259 57 64 VAL H H 7.322 . 1 260 57 64 VAL C C 176.970 . 1 261 57 64 VAL CA C 62.281 . 1 262 57 64 VAL CB C 31.637 . 1 263 57 64 VAL N N 113.979 . 1 264 58 65 GLY H H 7.131 . 1 265 58 65 GLY C C 174.039 . 1 266 58 65 GLY CA C 45.057 . 1 267 58 65 GLY N N 106.584 . 1 268 59 66 GLY H H 7.980 . 1 269 59 66 GLY C C 174.575 . 1 270 59 66 GLY CA C 44.947 . 1 271 59 66 GLY N N 106.789 . 1 272 60 67 ALA H H 7.901 . 1 273 60 67 ALA C C 177.106 . 1 274 60 67 ALA CA C 52.362 . 1 275 60 67 ALA CB C 18.717 . 1 276 60 67 ALA N N 124.345 . 1 277 61 68 ALA H H 8.369 . 1 278 61 68 ALA C C 178.049 . 1 279 61 68 ALA CA C 51.887 . 1 280 61 68 ALA CB C 20.073 . 1 281 61 68 ALA N N 124.852 . 1 282 62 69 SER H H 8.530 . 1 283 62 69 SER C C 175.920 . 1 284 62 69 SER CA C 60.389 . 1 285 62 69 SER CB C 62.630 . 1 286 62 69 SER N N 116.399 . 1 287 63 70 GLY H H 8.646 . 1 288 63 70 GLY C C 174.794 . 1 289 63 70 GLY CA C 45.183 . 1 290 63 70 GLY N N 112.432 . 1 291 64 71 CYS H H 7.790 . 1 292 64 71 CYS C C 175.295 . 1 293 64 71 CYS CA C 57.615 . 1 294 64 71 CYS CB C 44.034 . 1 295 64 71 CYS N N 119.371 . 1 296 65 72 ALA H H 9.220 . 1 297 65 72 ALA C C 178.656 . 1 298 65 72 ALA CA C 54.680 . 1 299 65 72 ALA CB C 18.524 . 1 300 65 72 ALA N N 130.819 . 1 301 66 73 GLY H H 8.569 . 1 302 66 73 GLY C C 174.682 . 1 303 66 73 GLY CA C 46.365 . 1 304 66 73 GLY N N 101.237 . 1 305 68 75 GLY C C 173.152 . 1 306 68 75 GLY CA C 45.297 . 1 307 69 76 PHE H H 7.628 . 1 308 69 76 PHE C C 175.360 . 1 309 69 76 PHE CA C 59.448 . 1 310 69 76 PHE CB C 42.291 . 1 311 69 76 PHE N N 119.750 . 1 312 70 77 TYR H H 7.872 . 1 313 70 77 TYR C C 174.411 . 1 314 70 77 TYR CA C 56.740 . 1 315 70 77 TYR CB C 36.329 . 1 316 70 77 TYR N N 118.219 . 1 317 71 78 THR H H 7.245 . 1 318 71 78 THR C C 174.993 . 1 319 71 78 THR CA C 59.978 . 1 320 71 78 THR CB C 71.248 . 1 321 71 78 THR N N 112.818 . 1 322 72 79 TYR H H 8.804 . 1 323 72 79 TYR C C 176.463 . 1 324 72 79 TYR CA C 60.361 . 1 325 72 79 TYR CB C 38.226 . 1 326 72 79 TYR N N 124.508 . 1 327 73 80 ASP H H 8.391 . 1 328 73 80 ASP C C 178.920 . 1 329 73 80 ASP CA C 56.850 . 1 330 73 80 ASP CB C 39.978 . 1 331 73 80 ASP N N 115.174 . 1 332 74 81 SER H H 7.316 . 1 333 74 81 SER C C 175.058 . 1 334 74 81 SER CA C 61.591 . 1 335 74 81 SER CB C 62.945 . 1 336 74 81 SER N N 116.575 . 1 337 75 82 PHE H H 7.297 . 1 338 75 82 PHE C C 175.511 . 1 339 75 82 PHE CA C 60.916 . 1 340 75 82 PHE CB C 38.532 . 1 341 75 82 PHE N N 123.738 . 1 342 76 83 ILE H H 8.021 . 1 343 76 83 ILE C C 177.959 . 1 344 76 83 ILE CA C 60.928 . 1 345 76 83 ILE CB C 34.617 . 1 346 76 83 ILE N N 119.885 . 1 347 77 84 SER H H 7.665 . 1 348 77 84 SER C C 176.981 . 1 349 77 84 SER CA C 61.701 . 1 350 77 84 SER CB C 63.003 . 1 351 77 84 SER N N 114.231 . 1 352 78 85 ALA H H 7.584 . 1 353 78 85 ALA C C 178.134 . 1 354 78 85 ALA CA C 55.135 . 1 355 78 85 ALA CB C 20.520 . 1 356 78 85 ALA N N 121.694 . 1 357 79 86 ALA H H 8.646 . 1 358 79 86 ALA C C 180.671 . 1 359 79 86 ALA CA C 55.243 . 1 360 79 86 ALA CB C 17.979 . 1 361 79 86 ALA N N 119.058 . 1 362 80 87 ASN H H 8.229 . 1 363 80 87 ASN C C 175.874 . 1 364 80 87 ASN CA C 54.077 . 1 365 80 87 ASN CB C 37.735 . 1 366 80 87 ASN N N 114.664 . 1 367 81 88 ALA H H 7.278 . 1 368 81 88 ALA C C 176.116 . 1 369 81 88 ALA CA C 52.651 . 1 370 81 88 ALA CB C 18.701 . 1 371 81 88 ALA N N 119.700 . 1 372 82 89 PHE H H 7.256 . 1 373 82 89 PHE C C 173.512 . 1 374 82 89 PHE CA C 56.218 . 1 375 82 89 PHE CB C 40.587 . 1 376 82 89 PHE N N 118.904 . 1 377 83 90 ASN H H 8.275 . 1 378 83 90 ASN C C 176.371 . 1 379 83 90 ASN CA C 55.272 . 1 380 83 90 ASN CB C 38.338 . 1 381 83 90 ASN N N 122.240 . 1 382 84 91 GLY H H 8.749 . 1 383 84 91 GLY C C 175.927 . 1 384 84 91 GLY CA C 45.025 . 1 385 84 91 GLY N N 114.265 . 1 386 85 92 PHE H H 7.963 . 1 387 85 92 PHE C C 175.044 . 1 388 85 92 PHE CA C 59.491 . 1 389 85 92 PHE CB C 37.711 . 1 390 85 92 PHE N N 123.040 . 1 391 86 93 GLY H H 8.636 . 1 392 86 93 GLY N N 118.944 . 1 393 96 103 ARG C C 179.079 . 1 394 96 103 ARG CA C 61.093 . 1 395 97 104 GLU H H 8.708 . 1 396 97 104 GLU C C 177.176 . 1 397 97 104 GLU CA C 61.066 . 1 398 97 104 GLU CB C 27.533 . 1 399 97 104 GLU N N 118.870 . 1 400 98 105 ILE H H 7.818 . 1 401 98 105 ILE C C 177.911 . 1 402 98 105 ILE CA C 62.921 . 1 403 98 105 ILE CB C 36.014 . 1 404 98 105 ILE N N 118.887 . 1 405 99 106 ALA H H 8.868 . 1 406 99 106 ALA C C 179.486 . 1 407 99 106 ALA CA C 56.324 . 1 408 99 106 ALA CB C 20.144 . 1 409 99 106 ALA N N 122.122 . 1 410 100 107 ALA H H 9.335 . 1 411 100 107 ALA C C 179.450 . 1 412 100 107 ALA CA C 55.364 . 1 413 100 107 ALA CB C 19.527 . 1 414 100 107 ALA N N 120.560 . 1 415 101 108 PHE H H 8.607 . 1 416 101 108 PHE C C 176.409 . 1 417 101 108 PHE CA C 61.015 . 1 418 101 108 PHE CB C 38.298 . 1 419 101 108 PHE N N 124.177 . 1 420 102 109 PHE H H 8.571 . 1 421 102 109 PHE C C 178.075 . 1 422 102 109 PHE CA C 63.078 . 1 423 102 109 PHE CB C 38.807 . 1 424 102 109 PHE N N 115.837 . 1 425 104 111 ASN C C 176.033 . 1 426 104 111 ASN CA C 58.007 . 1 427 104 111 ASN CB C 39.385 . 1 428 105 112 ALA H H 7.743 . 1 429 105 112 ALA C C 179.471 . 1 430 105 112 ALA CA C 53.943 . 1 431 105 112 ALA CB C 18.334 . 1 432 105 112 ALA N N 121.461 . 1 433 106 113 ALA H H 9.100 . 1 434 106 113 ALA C C 179.513 . 1 435 106 113 ALA CA C 54.623 . 1 436 106 113 ALA CB C 16.597 . 1 437 106 113 ALA N N 123.238 . 1 438 107 114 HIS H H 7.593 . 1 439 107 114 HIS C C 178.793 . 1 440 107 114 HIS CA C 60.971 . 1 441 107 114 HIS CB C 31.509 . 1 442 107 114 HIS N N 116.652 . 1 443 108 115 GLN H H 8.116 . 1 444 108 115 GLN C C 175.553 . 1 445 108 115 GLN CA C 58.411 . 1 446 108 115 GLN CB C 29.502 . 1 447 108 115 GLN N N 116.268 . 1 448 109 116 THR H H 7.094 . 1 449 109 116 THR C C 175.498 . 1 450 109 116 THR CA C 60.513 . 1 451 109 116 THR CB C 70.358 . 1 452 109 116 THR N N 105.018 . 1 453 110 117 GLY H H 7.222 . 1 454 110 117 GLY C C 176.399 . 1 455 110 117 GLY CA C 48.026 . 1 456 110 117 GLY N N 112.794 . 1 457 111 118 GLY H H 9.555 . 1 458 111 118 GLY C C 174.839 . 1 459 111 118 GLY CA C 46.291 . 1 460 111 118 GLY N N 110.001 . 1 461 112 119 PHE H H 7.190 . 1 462 112 119 PHE C C 173.998 . 1 463 112 119 PHE CA C 59.999 . 1 464 112 119 PHE CB C 34.429 . 1 465 112 119 PHE N N 111.613 . 1 466 113 120 CYS H H 7.198 . 1 467 113 120 CYS C C 175.614 . 1 468 113 120 CYS CA C 55.873 . 1 469 113 120 CYS CB C 43.388 . 1 470 113 120 CYS N N 114.984 . 1 471 114 121 TYR H H 8.122 . 1 472 114 121 TYR C C 175.211 . 1 473 114 121 TYR CA C 55.753 . 1 474 114 121 TYR CB C 39.737 . 1 475 114 121 TYR N N 117.666 . 1 476 115 122 ILE H H 8.765 . 1 477 115 122 ILE C C 176.211 . 1 478 115 122 ILE CA C 62.705 . 1 479 115 122 ILE CB C 35.228 . 1 480 115 122 ILE N N 120.395 . 1 481 116 123 GLU H H 8.110 . 1 482 116 123 GLU C C 174.270 . 1 483 116 123 GLU CA C 53.850 . 1 484 116 123 GLU CB C 32.803 . 1 485 116 123 GLU N N 119.309 . 1 486 117 124 GLU H H 8.379 . 1 487 117 124 GLU C C 174.750 . 1 488 117 124 GLU CA C 56.407 . 1 489 117 124 GLU CB C 31.215 . 1 490 117 124 GLU N N 125.359 . 1 491 118 125 GLN H H 8.323 . 1 492 118 125 GLN C C 175.379 . 1 493 118 125 GLN CA C 54.593 . 1 494 118 125 GLN CB C 29.722 . 1 495 118 125 GLN N N 125.167 . 1 496 119 126 ASN H H 8.846 . 1 497 119 126 ASN C C 171.529 . 1 498 119 126 ASN CA C 54.809 . 1 499 119 126 ASN CB C 38.499 . 1 500 119 126 ASN N N 117.673 . 1 501 120 127 PRO C C 178.620 . 1 502 120 127 PRO CA C 62.908 . 1 503 120 127 PRO CB C 31.767 . 1 504 121 128 THR H H 8.816 . 1 505 121 128 THR C C 173.491 . 1 506 121 128 THR CA C 60.981 . 1 507 121 128 THR CB C 69.148 . 1 508 121 128 THR N N 112.518 . 1 509 122 129 SER H H 7.153 . 1 510 122 129 SER C C 174.403 . 1 511 122 129 SER CA C 55.599 . 1 512 122 129 SER CB C 64.354 . 1 513 122 129 SER N N 114.216 . 1 514 123 130 ILE C C 175.697 . 1 515 123 130 ILE CA C 61.721 . 1 516 124 131 TYR H H 8.512 . 1 517 124 131 TYR C C 172.688 . 1 518 124 131 TYR CA C 58.576 . 1 519 124 131 TYR CB C 34.487 . 1 520 124 131 TYR N N 118.781 . 1 521 125 132 CYS H H 8.299 . 1 522 125 132 CYS C C 174.726 . 1 523 125 132 CYS CA C 54.512 . 1 524 125 132 CYS CB C 42.770 . 1 525 125 132 CYS N N 116.319 . 1 526 126 133 ASP H H 9.723 . 1 527 126 133 ASP C C 177.160 . 1 528 126 133 ASP CA C 52.739 . 1 529 126 133 ASP CB C 39.933 . 1 530 126 133 ASP N N 129.365 . 1 531 127 134 ALA H H 8.894 . 1 532 127 134 ALA C C 177.762 . 1 533 127 134 ALA CA C 53.487 . 1 534 127 134 ALA CB C 18.460 . 1 535 127 134 ALA N N 130.002 . 1 536 128 135 SER H H 8.371 . 1 537 128 135 SER C C 174.025 . 1 538 128 135 SER CA C 59.363 . 1 539 128 135 SER CB C 63.615 . 1 540 128 135 SER N N 114.035 . 1 541 129 136 ASN H H 7.036 . 1 542 129 136 ASN C C 175.421 . 1 543 129 136 ASN CA C 53.741 . 1 544 129 136 ASN CB C 39.024 . 1 545 129 136 ASN N N 121.649 . 1 546 130 137 THR H H 8.238 . 1 547 130 137 THR C C 175.041 . 1 548 130 137 THR CA C 62.456 . 1 549 130 137 THR CB C 68.707 . 1 550 130 137 THR N N 117.185 . 1 551 131 138 GLN H H 7.725 . 1 552 131 138 GLN C C 175.675 . 1 553 131 138 GLN CA C 57.759 . 1 554 131 138 GLN CB C 28.624 . 1 555 131 138 GLN N N 123.674 . 1 556 132 139 TYR H H 7.808 . 1 557 132 139 TYR CA C 53.794 . 1 558 132 139 TYR CB C 38.947 . 1 559 132 139 TYR N N 116.767 . 1 560 133 140 PRO C C 176.472 . 1 561 133 140 PRO CA C 62.187 . 1 562 133 140 PRO CB C 31.651 . 1 563 134 141 CYS H H 8.212 . 1 564 134 141 CYS C C 174.044 . 1 565 134 141 CYS CA C 55.379 . 1 566 134 141 CYS CB C 41.481 . 1 567 134 141 CYS N N 118.890 . 1 568 135 142 ALA H H 8.343 . 1 569 135 142 ALA C C 178.454 . 1 570 135 142 ALA CA C 51.292 . 1 571 135 142 ALA CB C 19.998 . 1 572 135 142 ALA N N 127.911 . 1 573 136 143 SER H H 8.840 . 1 574 136 143 SER C C 176.313 . 1 575 136 143 SER CA C 59.897 . 1 576 136 143 SER CB C 62.653 . 1 577 136 143 SER N N 120.699 . 1 578 137 144 GLY H H 9.009 . 1 579 137 144 GLY C C 173.772 . 1 580 137 144 GLY CA C 45.738 . 1 581 137 144 GLY N N 114.539 . 1 582 138 145 LYS H H 7.154 . 1 583 138 145 LYS C C 176.342 . 1 584 138 145 LYS CA C 52.171 . 1 585 138 145 LYS CB C 32.834 . 1 586 138 145 LYS N N 117.263 . 1 587 139 146 THR H H 8.012 . 1 588 139 146 THR C C 173.209 . 1 589 139 146 THR CA C 58.413 . 1 590 139 146 THR CB C 70.938 . 1 591 139 146 THR N N 110.516 . 1 592 140 147 TYR H H 8.478 . 1 593 140 147 TYR C C 174.545 . 1 594 140 147 TYR CA C 56.000 . 1 595 140 147 TYR CB C 36.138 . 1 596 140 147 TYR N N 122.752 . 1 597 141 148 HIS H H 8.100 . 1 598 141 148 HIS N N 117.364 . 1 599 145 152 PRO C C 173.684 . 1 600 145 152 PRO CA C 64.734 . 1 601 145 152 PRO CB C 31.297 . 1 602 146 153 LEU H H 6.950 . 1 603 146 153 LEU C C 175.382 . 1 604 146 153 LEU CA C 52.021 . 1 605 146 153 LEU CB C 40.405 . 1 606 147 154 GLN H H 7.691 . 1 607 147 154 GLN C C 174.048 . 1 608 147 154 GLN CA C 54.612 . 1 609 147 154 GLN CB C 27.635 . 1 610 147 154 GLN N N 115.243 . 1 611 148 155 LEU H H 7.028 . 1 612 148 155 LEU C C 175.264 . 1 613 148 155 LEU CA C 56.603 . 1 614 148 155 LEU CB C 42.408 . 1 615 148 155 LEU N N 123.882 . 1 616 149 156 SER H H 8.643 . 1 617 149 156 SER C C 173.495 . 1 618 149 156 SER CA C 58.009 . 1 619 149 156 SER CB C 66.957 . 1 620 149 156 SER N N 120.995 . 1 621 150 157 TRP H H 8.288 . 1 622 150 157 TRP C C 178.303 . 1 623 150 157 TRP CA C 60.536 . 1 624 150 157 TRP CB C 26.768 . 1 625 150 157 TRP N N 109.100 . 1 626 151 158 ASN H H 9.153 . 1 627 151 158 ASN C C 175.371 . 1 628 151 158 ASN CA C 57.517 . 1 629 151 158 ASN CB C 36.142 . 1 630 151 158 ASN N N 121.454 . 1 631 152 159 TYR C C 176.751 . 1 632 152 159 TYR CA C 57.106 . 1 633 152 159 TYR CB C 37.165 . 1 634 153 160 ASN H H 6.630 . 1 635 153 160 ASN C C 177.180 . 1 636 153 160 ASN CA C 55.197 . 1 637 153 160 ASN CB C 36.997 . 1 638 153 160 ASN N N 122.549 . 1 639 154 161 TYR H H 8.153 . 1 640 154 161 TYR C C 179.156 . 1 641 154 161 TYR CA C 63.246 . 1 642 154 161 TYR CB C 37.696 . 1 643 154 161 TYR N N 120.832 . 1 644 155 162 GLY H H 8.266 . 1 645 155 162 GLY C C 175.113 . 1 646 155 162 GLY CA C 46.897 . 1 647 155 162 GLY N N 104.928 . 1 648 156 163 ALA H H 6.658 . 1 649 156 163 ALA C C 179.928 . 1 650 156 163 ALA CA C 55.129 . 1 651 156 163 ALA CB C 18.900 . 1 652 156 163 ALA N N 125.247 . 1 653 157 164 ALA H H 8.043 . 1 654 157 164 ALA C C 179.107 . 1 655 157 164 ALA CA C 54.577 . 1 656 157 164 ALA CB C 17.138 . 1 657 157 164 ALA N N 122.852 . 1 658 158 165 GLY H H 7.738 . 1 659 158 165 GLY C C 177.344 . 1 660 158 165 GLY CA C 46.440 . 1 661 158 165 GLY N N 106.867 . 1 662 159 166 SER H H 7.667 . 1 663 159 166 SER C C 175.305 . 1 664 159 166 SER CA C 60.945 . 1 665 159 166 SER CB C 62.937 . 1 666 159 166 SER N N 117.044 . 1 667 160 167 TYR H H 7.362 . 1 668 160 167 TYR C C 177.397 . 1 669 160 167 TYR CA C 61.139 . 1 670 160 167 TYR CB C 39.632 . 1 671 160 167 TYR N N 120.746 . 1 672 161 168 ILE H H 8.660 . 1 673 161 168 ILE C C 174.463 . 1 674 161 168 ILE CA C 62.266 . 1 675 161 168 ILE CB C 39.156 . 1 676 161 168 ILE N N 118.902 . 1 677 162 169 GLN H H 7.906 . 1 678 162 169 GLN C C 174.375 . 1 679 162 169 GLN CA C 57.390 . 1 680 162 169 GLN CB C 24.741 . 1 681 162 169 GLN N N 115.203 . 1 682 163 170 PHE H H 8.423 . 1 683 163 170 PHE C C 173.150 . 1 684 163 170 PHE CA C 56.039 . 1 685 163 170 PHE CB C 41.050 . 1 686 163 170 PHE N N 118.015 . 1 687 164 171 ASP H H 8.906 . 1 688 164 171 ASP C C 175.885 . 1 689 164 171 ASP CA C 52.022 . 1 690 164 171 ASP CB C 39.081 . 1 691 164 171 ASP N N 121.243 . 1 692 165 172 GLY H H 7.736 . 1 693 165 172 GLY C C 172.846 . 1 694 165 172 GLY CA C 47.054 . 1 695 165 172 GLY N N 111.478 . 1 696 166 173 LEU H H 7.721 . 1 697 166 173 LEU C C 179.352 . 1 698 166 173 LEU CA C 55.842 . 1 699 166 173 LEU CB C 41.936 . 1 700 166 173 LEU N N 114.433 . 1 701 167 174 ASN H H 7.812 . 1 702 167 174 ASN C C 174.536 . 1 703 167 174 ASN CA C 53.590 . 1 704 167 174 ASN CB C 38.986 . 1 705 167 174 ASN N N 114.120 . 1 706 168 175 ASN H H 7.733 . 1 707 168 175 ASN C C 171.594 . 1 708 168 175 ASN CA C 51.516 . 1 709 168 175 ASN CB C 39.646 . 1 710 168 175 ASN N N 117.826 . 1 711 169 176 PRO C C 177.727 . 1 712 169 176 PRO CA C 65.617 . 1 713 169 176 PRO CB C 32.261 . 1 714 170 177 GLU H H 9.502 . 1 715 170 177 GLU C C 179.385 . 1 716 170 177 GLU CA C 59.121 . 1 717 170 177 GLU CB C 27.811 . 1 718 170 177 GLU N N 117.006 . 1 719 171 178 ILE H H 7.755 . 1 720 171 178 ILE C C 177.002 . 1 721 171 178 ILE CA C 63.256 . 1 722 171 178 ILE CB C 38.188 . 1 723 171 178 ILE N N 123.573 . 1 724 172 179 VAL H H 7.627 . 1 725 172 179 VAL C C 175.201 . 1 726 172 179 VAL CA C 65.065 . 1 727 172 179 VAL CB C 31.480 . 1 728 172 179 VAL N N 120.908 . 1 729 173 180 GLY H H 7.889 . 1 730 173 180 GLY C C 172.992 . 1 731 173 180 GLY CA C 43.469 . 1 732 173 180 GLY N N 103.641 . 1 733 174 181 THR H H 7.304 . 1 734 174 181 THR C C 173.482 . 1 735 174 181 THR CA C 62.639 . 1 736 174 181 THR CB C 70.455 . 1 737 174 181 THR N N 108.533 . 1 738 175 182 ASP H H 8.079 . 1 739 175 182 ASP C C 175.498 . 1 740 175 182 ASP CA C 52.810 . 1 741 175 182 ASP CB C 43.133 . 1 742 175 182 ASP N N 125.716 . 1 743 176 183 SER H H 8.782 . 1 744 176 183 SER C C 175.361 . 1 745 176 183 SER N N 122.646 . 1 746 177 184 THR C C 176.896 . 1 747 178 185 ILE H H 8.502 . 1 748 178 185 ILE C C 178.119 . 1 749 178 185 ILE CA C 65.122 . 1 750 178 185 ILE CB C 36.042 . 1 751 178 185 ILE N N 124.949 . 1 752 179 186 SER H H 8.994 . 1 753 179 186 SER C C 178.130 . 1 754 179 186 SER CA C 64.582 . 1 755 179 186 SER CB C 66.225 . 1 756 179 186 SER N N 115.400 . 1 757 180 187 PHE H H 8.599 . 1 758 180 187 PHE C C 178.833 . 1 759 180 187 PHE CA C 64.174 . 1 760 180 187 PHE CB C 39.520 . 1 761 180 187 PHE N N 116.924 . 1 762 181 188 LYS H H 9.125 . 1 763 181 188 LYS C C 178.864 . 1 764 181 188 LYS CA C 62.375 . 1 765 181 188 LYS CB C 33.472 . 1 766 181 188 LYS N N 120.811 . 1 767 182 189 THR H H 8.995 . 1 768 182 189 THR C C 176.227 . 1 769 182 189 THR CA C 66.744 . 1 770 182 189 THR CB C 69.401 . 1 771 182 189 THR N N 110.391 . 1 772 183 190 ALA H H 7.304 . 1 773 183 190 ALA C C 178.080 . 1 774 183 190 ALA CA C 54.578 . 1 775 183 190 ALA CB C 19.632 . 1 776 183 190 ALA N N 126.209 . 1 777 184 191 VAL H H 8.424 . 1 778 184 191 VAL C C 176.862 . 1 779 184 191 VAL CA C 66.699 . 1 780 184 191 VAL CB C 29.772 . 1 781 184 191 VAL N N 120.540 . 1 782 185 192 TRP H H 8.671 . 1 783 185 192 TRP C C 177.996 . 1 784 185 192 TRP CA C 61.931 . 1 785 185 192 TRP CB C 28.463 . 1 786 185 192 TRP N N 121.054 . 1 787 186 193 PHE H H 8.358 . 1 788 186 193 PHE C C 176.159 . 1 789 186 193 PHE CA C 62.295 . 1 790 186 193 PHE CB C 39.246 . 1 791 186 193 PHE N N 123.155 . 1 792 187 194 TRP H H 8.138 . 1 793 187 194 TRP C C 173.946 . 1 794 187 194 TRP CA C 60.520 . 1 795 187 194 TRP CB C 30.668 . 1 796 187 194 TRP N N 119.534 . 1 797 188 195 MET H H 8.171 . 1 798 188 195 MET C C 177.463 . 1 799 188 195 MET CA C 54.616 . 1 800 188 195 MET CB C 32.721 . 1 801 188 195 MET N N 107.899 . 1 802 189 196 VAL C C 176.072 . 1 803 189 196 VAL CA C 62.859 . 1 804 190 197 ASN H H 6.409 . 1 805 190 197 ASN C C 172.464 . 1 806 190 197 ASN CA C 52.653 . 1 807 190 197 ASN CB C 41.186 . 1 808 190 197 ASN N N 116.074 . 1 809 191 198 SER H H 6.766 . 1 810 191 198 SER C C 172.765 . 1 811 191 198 SER CA C 57.023 . 1 812 191 198 SER CB C 66.722 . 1 813 191 198 SER N N 110.016 . 1 814 192 199 ASN H H 8.460 . 1 815 192 199 ASN C C 175.456 . 1 816 192 199 ASN CA C 52.191 . 1 817 192 199 ASN CB C 39.019 . 1 818 192 199 ASN N N 114.779 . 1 819 193 200 CYS H H 7.566 . 1 820 193 200 CYS C C 175.060 . 1 821 193 200 CYS CA C 66.039 . 1 822 193 200 CYS CB C 25.250 . 1 823 193 200 CYS N N 118.082 . 1 824 194 201 HIS H H 6.952 . 1 825 194 201 HIS C C 178.468 . 1 826 194 201 HIS CA C 58.838 . 1 827 194 201 HIS CB C 29.466 . 1 828 194 201 HIS N N 115.295 . 1 829 195 202 THR H H 8.507 . 1 830 195 202 THR C C 176.079 . 1 831 195 202 THR CA C 66.154 . 1 832 195 202 THR CB C 67.999 . 1 833 195 202 THR N N 119.281 . 1 834 196 203 ALA H H 8.506 . 1 835 196 203 ALA C C 179.206 . 1 836 196 203 ALA CA C 55.609 . 1 837 196 203 ALA CB C 18.262 . 1 838 196 203 ALA N N 124.941 . 1 839 197 204 ILE H H 7.564 . 1 840 197 204 ILE C C 178.531 . 1 841 197 204 ILE CA C 59.348 . 1 842 197 204 ILE CB C 38.296 . 1 843 197 204 ILE N N 114.299 . 1 844 198 205 THR H H 7.635 . 1 845 198 205 THR C C 175.724 . 1 846 198 205 THR CA C 63.875 . 1 847 198 205 THR CB C 69.043 . 1 848 198 205 THR N N 112.345 . 1 849 199 206 SER H H 7.629 . 1 850 199 206 SER C C 175.189 . 1 851 199 206 SER CA C 58.438 . 1 852 199 206 SER CB C 64.186 . 1 853 199 206 SER N N 115.404 . 1 854 200 207 GLY H H 7.190 . 1 855 200 207 GLY C C 175.717 . 1 856 200 207 GLY CA C 46.025 . 1 857 200 207 GLY N N 107.998 . 1 858 201 208 GLN H H 7.864 . 1 859 201 208 GLN C C 177.124 . 1 860 201 208 GLN CA C 57.566 . 1 861 201 208 GLN CB C 28.831 . 1 862 201 208 GLN N N 117.953 . 1 863 202 209 GLY H H 8.334 . 1 864 202 209 GLY C C 173.794 . 1 865 202 209 GLY CA C 44.092 . 1 866 202 209 GLY N N 107.111 . 1 867 203 210 PHE H H 8.064 . 1 868 203 210 PHE C C 178.535 . 1 869 203 210 PHE CA C 62.036 . 1 870 203 210 PHE CB C 39.951 . 1 871 203 210 PHE N N 117.428 . 1 872 204 211 GLY H H 8.949 . 1 873 204 211 GLY C C 174.720 . 1 874 204 211 GLY CA C 47.383 . 1 875 204 211 GLY N N 110.879 . 1 876 205 212 ALA H H 7.314 . 1 877 205 212 ALA C C 181.122 . 1 878 205 212 ALA CA C 53.645 . 1 879 205 212 ALA CB C 19.326 . 1 880 205 212 ALA N N 121.637 . 1 881 206 213 THR H H 7.819 . 1 882 206 213 THR C C 174.467 . 1 883 206 213 THR CA C 64.507 . 1 884 206 213 THR CB C 68.284 . 1 885 206 213 THR N N 113.178 . 1 886 207 214 ILE H H 6.448 . 1 887 207 214 ILE C C 178.081 . 1 888 207 214 ILE CA C 65.524 . 1 889 207 214 ILE CB C 36.444 . 1 890 207 214 ILE N N 122.430 . 1 891 208 215 ARG H H 7.293 . 1 892 208 215 ARG C C 176.702 . 1 893 208 215 ARG CA C 59.400 . 1 894 208 215 ARG CB C 30.489 . 1 895 208 215 ARG N N 117.594 . 1 896 209 216 ALA H H 6.868 . 1 897 209 216 ALA C C 178.528 . 1 898 209 216 ALA CA C 53.564 . 1 899 209 216 ALA CB C 20.407 . 1 900 209 216 ALA N N 116.602 . 1 901 210 217 ILE H H 7.377 . 1 902 210 217 ILE C C 176.263 . 1 903 210 217 ILE CA C 64.674 . 1 904 210 217 ILE CB C 39.425 . 1 905 210 217 ILE N N 119.661 . 1 906 211 218 ASN H H 8.675 . 1 907 211 218 ASN C C 173.875 . 1 908 211 218 ASN CA C 52.115 . 1 909 211 218 ASN CB C 37.303 . 1 910 211 218 ASN N N 116.241 . 1 911 212 219 SER H H 8.793 . 1 912 212 219 SER C C 176.770 . 1 913 212 219 SER CA C 62.374 . 1 914 212 219 SER N N 120.846 . 1 915 213 220 MET H H 7.771 . 1 916 213 220 MET C C 177.324 . 1 917 213 220 MET CA C 57.386 . 1 918 213 220 MET N N 119.679 . 1 919 214 221 GLU C C 178.027 . 1 920 214 221 GLU CA C 57.677 . 1 921 214 221 GLU CB C 30.051 . 1 922 215 222 CYS H H 7.036 . 1 923 215 222 CYS C C 175.494 . 1 924 215 222 CYS CA C 52.218 . 1 925 215 222 CYS CB C 38.268 . 1 926 215 222 CYS N N 115.458 . 1 927 216 223 ASP H H 10.765 . 1 928 216 223 ASP C C 176.559 . 1 929 216 223 ASP CA C 55.242 . 1 930 216 223 ASP CB C 39.433 . 1 931 216 223 ASP N N 121.032 . 1 932 217 224 GLY H H 9.023 . 1 933 217 224 GLY C C 175.961 . 1 934 217 224 GLY CA C 44.832 . 1 935 217 224 GLY N N 106.586 . 1 936 218 225 GLY H H 7.836 . 1 937 218 225 GLY C C 175.269 . 1 938 218 225 GLY CA C 47.259 . 1 939 218 225 GLY N N 111.851 . 1 940 219 226 ASN H H 7.974 . 1 941 219 226 ASN C C 172.784 . 1 942 219 226 ASN CA C 53.071 . 1 943 219 226 ASN CB C 38.692 . 1 944 219 226 ASN N N 117.428 . 1 945 220 227 ALA H H 8.702 . 1 946 220 227 ALA C C 180.438 . 1 947 220 227 ALA CA C 55.119 . 1 948 220 227 ALA CB C 18.274 . 1 949 220 227 ALA N N 126.263 . 1 950 221 228 ALA C C 181.369 . 1 951 221 228 ALA CA C 55.099 . 1 952 221 228 ALA CB C 18.319 . 1 953 222 229 THR H H 7.785 . 1 954 222 229 THR C C 177.650 . 1 955 222 229 THR CA C 65.211 . 1 956 222 229 THR CB C 66.455 . 1 957 222 229 THR N N 113.797 . 1 958 223 230 VAL H H 7.538 . 1 959 223 230 VAL C C 177.125 . 1 960 223 230 VAL CA C 68.045 . 1 961 223 230 VAL CB C 31.755 . 1 962 223 230 VAL N N 124.396 . 1 963 224 231 ALA H H 7.854 . 1 964 224 231 ALA C C 179.878 . 1 965 224 231 ALA CA C 55.010 . 1 966 224 231 ALA CB C 17.687 . 1 967 224 231 ALA N N 118.771 . 1 968 225 232 SER H H 7.428 . 1 969 225 232 SER C C 177.035 . 1 970 225 232 SER CA C 60.340 . 1 971 225 232 SER CB C 61.810 . 1 972 225 232 SER N N 112.827 . 1 973 226 233 ARG H H 7.925 . 1 974 226 233 ARG C C 178.131 . 1 975 226 233 ARG CA C 60.983 . 1 976 226 233 ARG CB C 30.420 . 1 977 226 233 ARG N N 118.727 . 1 978 227 234 VAL H H 8.642 . 1 979 227 234 VAL C C 177.267 . 1 980 227 234 VAL CA C 66.857 . 1 981 227 234 VAL CB C 31.632 . 1 982 227 234 VAL N N 117.994 . 1 983 228 235 ASN H H 8.451 . 1 984 228 235 ASN C C 179.009 . 1 985 228 235 ASN CA C 56.459 . 1 986 228 235 ASN CB C 38.115 . 1 987 228 235 ASN N N 119.631 . 1 988 229 236 TYR H H 7.833 . 1 989 229 236 TYR C C 175.948 . 1 990 229 236 TYR CA C 62.505 . 1 991 229 236 TYR CB C 37.956 . 1 992 229 236 TYR N N 117.783 . 1 993 230 237 TYR H H 7.948 . 1 994 230 237 TYR C C 177.656 . 1 995 230 237 TYR CA C 61.714 . 1 996 230 237 TYR CB C 37.380 . 1 997 230 237 TYR N N 120.696 . 1 998 231 238 GLN H H 8.807 . 1 999 231 238 GLN C C 178.886 . 1 1000 231 238 GLN CA C 59.779 . 1 1001 231 238 GLN CB C 28.359 . 1 1002 231 238 GLN N N 118.625 . 1 1003 232 239 LYS H H 7.553 . 1 1004 232 239 LYS C C 179.554 . 1 1005 232 239 LYS CA C 59.383 . 1 1006 232 239 LYS CB C 31.934 . 1 1007 232 239 LYS N N 120.785 . 1 1008 233 240 PHE H H 8.717 . 1 1009 233 240 PHE C C 178.802 . 1 1010 233 240 PHE CA C 56.776 . 1 1011 233 240 PHE CB C 36.047 . 1 1012 233 240 PHE N N 120.388 . 1 1013 234 241 CYS H H 8.641 . 1 1014 234 241 CYS C C 177.204 . 1 1015 234 241 CYS CA C 65.355 . 1 1016 234 241 CYS CB C 25.333 . 1 1017 234 241 CYS N N 119.726 . 1 1018 235 242 GLN H H 7.357 . 1 1019 235 242 GLN C C 180.004 . 1 1020 235 242 GLN CA C 59.246 . 1 1021 235 242 GLN CB C 27.570 . 1 1022 235 242 GLN N N 118.862 . 1 1023 236 243 GLN H H 7.764 . 1 1024 236 243 GLN C C 177.414 . 1 1025 236 243 GLN CA C 58.543 . 1 1026 236 243 GLN CB C 28.746 . 1 1027 236 243 GLN N N 119.109 . 1 1028 237 244 LEU H H 7.589 . 1 1029 237 244 LEU C C 174.942 . 1 1030 237 244 LEU CA C 54.956 . 1 1031 237 244 LEU CB C 42.253 . 1 1032 237 244 LEU N N 117.074 . 1 1033 238 245 ASN H H 7.781 . 1 1034 238 245 ASN C C 172.941 . 1 1035 238 245 ASN CA C 53.644 . 1 1036 238 245 ASN CB C 36.946 . 1 1037 238 245 ASN N N 117.658 . 1 1038 239 246 VAL H H 8.115 . 1 1039 239 246 VAL C C 172.492 . 1 1040 239 246 VAL CA C 59.130 . 1 1041 239 246 VAL CB C 36.174 . 1 1042 239 246 VAL N N 119.459 . 1 1043 240 247 ASP H H 8.208 . 1 1044 240 247 ASP C C 177.219 . 1 1045 240 247 ASP CA C 53.955 . 1 1046 240 247 ASP CB C 41.664 . 1 1047 240 247 ASP N N 126.295 . 1 1048 241 248 THR H H 8.242 . 1 1049 241 248 THR C C 179.029 . 1 1050 241 248 THR CA C 63.060 . 1 1051 241 248 THR CB C 70.245 . 1 1052 241 248 THR N N 111.266 . 1 1053 242 249 GLY H H 8.563 . 1 1054 242 249 GLY C C 173.120 . 1 1055 242 249 GLY CA C 44.678 . 1 1056 242 249 GLY N N 112.525 . 1 1057 243 250 SER H H 8.417 . 1 1058 243 250 SER C C 173.958 . 1 1059 243 250 SER CA C 56.940 . 1 1060 243 250 SER CB C 64.641 . 1 1061 243 250 SER N N 114.368 . 1 1062 244 251 ASN H H 8.876 . 1 1063 244 251 ASN C C 175.228 . 1 1064 244 251 ASN CA C 54.429 . 1 1065 244 251 ASN CB C 37.097 . 1 1066 244 251 ASN N N 117.384 . 1 1067 245 252 LEU H H 8.538 . 1 1068 245 252 LEU C C 174.384 . 1 1069 245 252 LEU CA C 58.158 . 1 1070 245 252 LEU CB C 41.989 . 1 1071 245 252 LEU N N 118.846 . 1 1072 246 253 GLN H H 6.967 . 1 1073 246 253 GLN C C 176.071 . 1 1074 246 253 GLN CA C 54.691 . 1 1075 246 253 GLN CB C 29.615 . 1 1076 246 253 GLN N N 107.607 . 1 1077 247 254 CYS H H 6.637 . 1 1078 247 254 CYS CA C 58.601 . 1 1079 247 254 CYS CB C 30.326 . 1 1080 247 254 CYS N N 118.133 . 1 stop_ save_