data_28105 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and ILV methyl chemical shift assignments of REC2 domain from SpyCas9 ; _BMRB_accession_number 28105 _BMRB_flat_file_name bmr28105.str _Entry_type original _Submission_date 2020-03-23 _Accession_date 2020-03-23 _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 'De Paula' Viviane S . 2 Sgourakis Nikolaos G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 189 "13C chemical shifts" 419 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-02 original BMRB . stop_ _Original_release_date 2020-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and ILV methyl chemical shift assignments of REC2 domain from SpyCas9 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Paula' Viviane . . 2 Sgourakis Nikolaos . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'REC2 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label REC2 $REC2_domain 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_REC2_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common REC2_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details 'The first residue with number 1 is in reality the 167th residue.' ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; HFLIEGDLNPDNSDVDKLFI QLVQTYNQLFEENPINASGV DAKAILSARLSKSRRLENLI AQLPGEKKNGLFGNLIALSL GLTPNFKSNFDLAEDAKLQL SKDTYDDDLDNLLAQIGDQY ADLFLAAKNLSDAILLSDIL R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 167 HIS 2 168 PHE 3 169 LEU 4 170 ILE 5 171 GLU 6 172 GLY 7 173 ASP 8 174 LEU 9 175 ASN 10 176 PRO 11 177 ASP 12 178 ASN 13 179 SER 14 180 ASP 15 181 VAL 16 182 ASP 17 183 LYS 18 184 LEU 19 185 PHE 20 186 ILE 21 187 GLN 22 188 LEU 23 189 VAL 24 190 GLN 25 191 THR 26 192 TYR 27 193 ASN 28 194 GLN 29 195 LEU 30 196 PHE 31 197 GLU 32 198 GLU 33 199 ASN 34 200 PRO 35 201 ILE 36 202 ASN 37 203 ALA 38 204 SER 39 205 GLY 40 206 VAL 41 207 ASP 42 208 ALA 43 209 LYS 44 210 ALA 45 211 ILE 46 212 LEU 47 213 SER 48 214 ALA 49 215 ARG 50 216 LEU 51 217 SER 52 218 LYS 53 219 SER 54 220 ARG 55 221 ARG 56 222 LEU 57 223 GLU 58 224 ASN 59 225 LEU 60 226 ILE 61 227 ALA 62 228 GLN 63 229 LEU 64 230 PRO 65 231 GLY 66 232 GLU 67 233 LYS 68 234 LYS 69 235 ASN 70 236 GLY 71 237 LEU 72 238 PHE 73 239 GLY 74 240 ASN 75 241 LEU 76 242 ILE 77 243 ALA 78 244 LEU 79 245 SER 80 246 LEU 81 247 GLY 82 248 LEU 83 249 THR 84 250 PRO 85 251 ASN 86 252 PHE 87 253 LYS 88 254 SER 89 255 ASN 90 256 PHE 91 257 ASP 92 258 LEU 93 259 ALA 94 260 GLU 95 261 ASP 96 262 ALA 97 263 LYS 98 264 LEU 99 265 GLN 100 266 LEU 101 267 SER 102 268 LYS 103 269 ASP 104 270 THR 105 271 TYR 106 272 ASP 107 273 ASP 108 274 ASP 109 275 LEU 110 276 ASP 111 277 ASN 112 278 LEU 113 279 LEU 114 280 ALA 115 281 GLN 116 282 ILE 117 283 GLY 118 284 ASP 119 285 GLN 120 286 TYR 121 287 ALA 122 288 ASP 123 289 LEU 124 290 PHE 125 291 LEU 126 292 ALA 127 293 ALA 128 294 LYS 129 295 ASN 130 296 LEU 131 297 SER 132 298 ASP 133 299 ALA 134 300 ILE 135 301 LEU 136 302 LEU 137 303 SER 138 304 ASP 139 305 ILE 140 306 LEU 141 307 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 $REC2_domain 'Streptococcus pyogenes' 1314 Bacteria . Streptococcus pyogenes 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 $REC2_domain 'recombinant technology' . Escherichia coli . pET 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 $REC2_domain 0.3 mM '[U-100% 13C; U-100% 15N; ILV-methyl]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $REC2_domain 0.5 mM '[U-13C; U-15N; U-2H; ILV-methyl]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $REC2_domain 0.5 mM '[U-13C; U-15N; U-2H; IL(CD2)V(CG2)-methyl]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 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 processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-13C_SOFAST_HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C SOFAST HMQC' _Sample_label $sample_2 save_ save_2D_1H-15N_SOFAST_HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N SOFAST HMQC' _Sample_label $sample_1 save_ save_3D_Cm-CmHm_SOFAST_NOESY_HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Cm-CmHm SOFAST NOESY HMQC' _Sample_label $sample_2 save_ save_3D_Hn-CmHm_SOFAST_NOESY_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Hn-CmHm SOFAST NOESY HMQC' _Sample_label $sample_1 save_ save_3D_N-CmHm_SOFAST_NOESY_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N-CmHm SOFAST NOESY HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_SOFAST_HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C SOFAST HMQC' _Sample_label $sample_3 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' 0.05 . M pH 7.0 . pH pressure 1 . atm temperature 298 . 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 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0 na indirect . . . 0.2514 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.1013 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 TROSY' '3D HNCA' '3D HNCO' '3D HN(COCA)CB' '2D 1H-13C SOFAST HMQC' '2D 1H-15N SOFAST HMQC' '3D Cm-CmHm SOFAST NOESY HMQC' '3D Hn-CmHm SOFAST NOESY HMQC' '3D N-CmHm SOFAST NOESY HMQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name REC2 _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 1 168 2 PHE H H 8.045 0.000 1 2 168 2 PHE C C 175.109 0.000 1 3 168 2 PHE CA C 56.089 0.000 1 4 168 2 PHE CB C 38.151 0.000 1 5 168 2 PHE N N 121.601 0.000 1 6 169 3 LEU H H 8.107 0.000 1 7 169 3 LEU C C 176.663 0.000 1 8 169 3 LEU CA C 53.597 0.000 1 9 169 3 LEU CB C 40.821 0.000 1 10 169 3 LEU N N 124.185 0.000 1 11 170 4 ILE H H 8.089 0.000 1 12 170 4 ILE HD1 H 0.885 0.000 1 13 170 4 ILE C C 176.091 0.000 1 14 170 4 ILE CA C 59.383 0.000 1 15 170 4 ILE CB C 37.150 0.000 1 16 170 4 ILE CD1 C 12.784 0.000 1 17 170 4 ILE N N 122.612 0.000 1 18 171 5 GLU H H 8.410 0.000 1 19 171 5 GLU C C 176.765 0.000 1 20 171 5 GLU CA C 55.361 0.000 1 21 171 5 GLU CB C 28.873 0.000 1 22 171 5 GLU N N 125.456 0.000 1 23 172 6 GLY H H 8.278 0.000 1 24 172 6 GLY C C 173.672 0.000 1 25 172 6 GLY CA C 43.740 0.000 1 26 172 6 GLY N N 110.499 0.000 1 27 173 7 ASP H H 8.129 0.000 1 28 173 7 ASP C C 176.076 0.000 1 29 173 7 ASP CA C 52.860 0.000 1 30 173 7 ASP CB C 40.020 0.000 1 31 173 7 ASP N N 120.767 0.000 1 32 174 8 LEU H H 8.058 0.000 1 33 174 8 LEU HD1 H 0.929 0.000 1 34 174 8 LEU HD2 H 0.870 0.000 1 35 174 8 LEU C C 176.721 0.000 1 36 174 8 LEU CA C 53.556 0.000 1 37 174 8 LEU CB C 40.688 0.000 1 38 174 8 LEU CD1 C 25.015 0.000 1 39 174 8 LEU CD2 C 23.554 0.000 1 40 174 8 LEU N N 122.476 0.000 1 41 175 9 ASN H H 8.397 0.000 1 42 175 9 ASN CA C 49.693 0.000 1 43 175 9 ASN CB C 37.751 0.000 1 44 175 9 ASN N N 121.231 0.000 1 45 177 11 ASP H H 8.212 0.000 1 46 177 11 ASP C C 176.531 0.000 1 47 177 11 ASP CA C 53.493 0.000 1 48 177 11 ASP CB C 39.486 0.000 1 49 177 11 ASP N N 119.536 0.000 1 50 178 12 ASN H H 8.036 0.000 1 51 178 12 ASN C C 174.757 0.000 1 52 178 12 ASN CA C 51.941 0.000 1 53 178 12 ASN CB C 37.350 0.000 1 54 178 12 ASN N N 119.208 0.000 1 55 179 13 SER H H 7.993 0.000 1 56 179 13 SER C C 173.965 0.000 1 57 179 13 SER CA C 56.665 0.000 1 58 179 13 SER CB C 62.916 0.000 1 59 179 13 SER N N 113.911 0.000 1 60 180 14 ASP H H 7.975 0.000 1 61 180 14 ASP C C 175.871 0.000 1 62 180 14 ASP CA C 52.814 0.000 1 63 180 14 ASP CB C 40.287 0.000 1 64 180 14 ASP N N 123.515 0.000 1 65 181 15 VAL H H 8.481 0.000 1 66 181 15 VAL HG1 H 0.782 0.000 1 67 181 15 VAL HG2 H 0.971 0.000 1 68 181 15 VAL C C 176.897 0.000 1 69 181 15 VAL CA C 65.589 0.000 1 70 181 15 VAL CB C 31.142 0.000 1 71 181 15 VAL CG1 C 21.511 0.000 1 72 181 15 VAL CG2 C 23.554 0.000 1 73 181 15 VAL N N 123.747 0.000 1 74 182 16 ASP H H 7.909 0.000 1 75 182 16 ASP C C 178.407 0.000 1 76 182 16 ASP CA C 56.946 0.000 1 77 182 16 ASP CB C 39.627 0.000 1 78 182 16 ASP N N 117.499 0.000 1 79 183 17 LYS H H 7.851 0.000 1 80 183 17 LYS C C 179.874 0.000 1 81 183 17 LYS CA C 57.863 0.000 1 82 183 17 LYS CB C 31.009 0.000 1 83 183 17 LYS N N 119.687 0.000 1 84 184 18 LEU H H 8.291 0.000 1 85 184 18 LEU HD1 H 0.855 0.000 1 86 184 18 LEU HD2 H 0.912 0.000 1 87 184 18 LEU C C 180.387 0.000 1 88 184 18 LEU CA C 55.424 0.000 1 89 184 18 LEU CB C 39.773 0.000 1 90 184 18 LEU CD1 C 26.498 0.000 1 91 184 18 LEU CD2 C 23.199 0.000 1 92 184 18 LEU N N 120.138 0.000 1 93 185 19 PHE H H 8.907 0.000 1 94 185 19 PHE C C 176.252 0.000 1 95 185 19 PHE CA C 60.713 0.000 1 96 185 19 PHE CB C 37.550 0.000 1 97 185 19 PHE N N 125.497 0.000 1 98 186 20 ILE H H 8.252 0.000 1 99 186 20 ILE HD1 H 0.943 0.000 1 100 186 20 ILE C C 178.437 0.000 1 101 186 20 ILE CA C 62.486 0.000 1 102 186 20 ILE CB C 35.481 0.000 1 103 186 20 ILE CD1 C 11.911 0.000 1 104 186 20 ILE N N 120.739 0.000 1 105 187 21 GLN H H 8.005 0.000 1 106 187 21 GLN C C 178.906 0.000 1 107 187 21 GLN CA C 57.514 0.000 1 108 187 21 GLN CB C 26.674 0.000 1 109 187 21 GLN N N 119.263 0.000 1 110 188 22 LEU H H 7.640 0.000 1 111 188 22 LEU HD1 H 0.923 0.000 1 112 188 22 LEU HD2 H 0.587 0.000 1 113 188 22 LEU CA C 57.635 0.000 1 114 188 22 LEU CB C 39.486 0.000 1 115 188 22 LEU CD1 C 24.576 0.000 1 116 188 22 LEU CD2 C 27.083 0.000 1 117 188 22 LEU N N 123.925 0.000 1 118 189 23 VAL HG1 H 0.775 0.000 1 119 189 23 VAL HG2 H 0.308 0.000 1 120 189 23 VAL CG1 C 21.582 0.000 1 121 189 23 VAL CG2 C 23.564 0.000 1 122 190 24 GLN H H 8.793 0.000 1 123 190 24 GLN C C 179.214 0.000 1 124 190 24 GLN CA C 57.722 0.000 1 125 190 24 GLN CB C 26.878 0.000 1 126 190 24 GLN N N 117.895 0.000 1 127 191 25 THR H H 8.085 0.000 1 128 191 25 THR CA C 65.523 0.000 1 129 191 25 THR CB C 67.474 0.000 1 130 191 25 THR N N 117.472 0.000 1 131 193 27 ASN H H 9.114 0.000 1 132 193 27 ASN C C 177.528 0.000 1 133 193 27 ASN CA C 53.503 0.000 1 134 193 27 ASN CB C 35.748 0.000 1 135 193 27 ASN N N 119.309 0.000 1 136 194 28 GLN H H 7.539 0.000 1 137 194 28 GLN C C 177.528 0.000 1 138 194 28 GLN CA C 56.343 0.000 1 139 194 28 GLN CB C 27.271 0.000 1 140 194 28 GLN N N 118.142 0.000 1 141 195 29 LEU H H 7.077 0.000 1 142 195 29 LEU C C 176.971 0.000 1 143 195 29 LEU CA C 54.538 0.000 1 144 195 29 LEU CB C 42.290 0.000 1 145 195 29 LEU N N 119.468 0.000 1 146 196 30 PHE H H 7.715 0.000 1 147 196 30 PHE C C 175.724 0.000 1 148 196 30 PHE CA C 55.393 0.000 1 149 196 30 PHE CB C 36.149 0.000 1 150 196 30 PHE N N 121.874 0.000 1 151 197 31 GLU H H 7.486 0.000 1 152 197 31 GLU C C 178.407 0.000 1 153 197 31 GLU CA C 57.572 0.000 1 154 197 31 GLU CB C 28.672 0.000 1 155 197 31 GLU N N 118.798 0.000 1 156 198 32 GLU H H 8.670 0.000 1 157 198 32 GLU C C 176.663 0.000 1 158 198 32 GLU CA C 55.899 0.000 1 159 198 32 GLU CB C 28.405 0.000 1 160 198 32 GLU N N 116.323 0.000 1 161 199 33 ASN H H 7.640 0.000 1 162 199 33 ASN CA C 50.404 0.000 1 163 199 33 ASN CB C 38.885 0.000 1 164 199 33 ASN N N 117.157 0.000 1 165 201 35 ILE H H 9.704 0.000 1 166 201 35 ILE HD1 H -0.328 0.000 1 167 201 35 ILE C C 175.900 0.000 1 168 201 35 ILE CA C 58.136 0.000 1 169 201 35 ILE CB C 36.616 0.000 1 170 201 35 ILE CD1 C 10.992 0.000 1 171 201 35 ILE N N 122.612 0.000 1 172 202 36 ASN H H 8.780 0.000 1 173 202 36 ASN C C 174.244 0.000 1 174 202 36 ASN CA C 50.231 0.000 1 175 202 36 ASN CB C 36.749 0.000 1 176 202 36 ASN N N 126.345 0.000 1 177 203 37 ALA H H 8.635 0.000 1 178 203 37 ALA C C 177.542 0.000 1 179 203 37 ALA CA C 49.345 0.000 1 180 203 37 ALA CB C 18.126 0.000 1 181 203 37 ALA N N 126.728 0.000 1 182 204 38 SER H H 8.010 0.000 1 183 204 38 SER C C 175.783 0.000 1 184 204 38 SER CA C 59.319 0.000 1 185 204 38 SER CB C 61.514 0.000 1 186 204 38 SER N N 116.419 0.000 1 187 205 39 GLY H H 8.881 0.000 1 188 205 39 GLY C C 173.936 0.000 1 189 205 39 GLY CA C 43.845 0.000 1 190 205 39 GLY N N 112.985 0.000 1 191 206 40 VAL H H 7.420 0.000 1 192 206 40 VAL HG1 H 0.571 0.000 1 193 206 40 VAL HG2 H 0.911 0.000 1 194 206 40 VAL C C 175.226 0.000 1 195 206 40 VAL CA C 60.966 0.000 1 196 206 40 VAL CB C 31.076 0.000 1 197 206 40 VAL CG1 C 20.737 0.000 1 198 206 40 VAL CG2 C 22.178 0.000 1 199 206 40 VAL N N 120.944 0.000 1 200 207 41 ASP H H 8.775 0.000 1 201 207 41 ASP C C 175.109 0.000 1 202 207 41 ASP CA C 50.360 0.000 1 203 207 41 ASP CB C 37.583 0.000 1 204 207 41 ASP N N 130.556 0.000 1 205 208 42 ALA H H 7.785 0.000 1 206 208 42 ALA C C 179.023 0.000 1 207 208 42 ALA CA C 53.841 0.000 1 208 208 42 ALA CB C 16.499 0.000 1 209 208 42 ALA N N 125.880 0.000 1 210 209 43 LYS H H 8.696 0.000 1 211 209 43 LYS C C 178.613 0.000 1 212 209 43 LYS CA C 58.686 0.000 1 213 209 43 LYS CB C 30.541 0.000 1 214 209 43 LYS N N 118.265 0.000 1 215 210 44 ALA H H 7.605 0.000 1 216 210 44 ALA C C 180.049 0.000 1 217 210 44 ALA CA C 52.986 0.000 1 218 210 44 ALA CB C 17.124 0.000 1 219 210 44 ALA N N 122.175 0.000 1 220 211 45 ILE H H 7.530 0.000 1 221 211 45 ILE HD1 H 0.679 0.000 1 222 211 45 ILE C C 178.451 0.000 1 223 211 45 ILE CA C 62.328 0.000 1 224 211 45 ILE CB C 37.817 0.000 1 225 211 45 ILE CD1 C 13.862 0.000 1 226 211 45 ILE N N 116.186 0.000 1 227 212 46 LEU H H 8.695 0.000 1 228 212 46 LEU HD1 H 0.741 0.000 1 229 212 46 LEU HD2 H 0.773 0.000 1 230 212 46 LEU C C 176.765 0.000 1 231 212 46 LEU CA C 55.350 0.000 1 232 212 46 LEU CB C 39.465 0.000 1 233 212 46 LEU CD1 C 25.398 0.000 1 234 212 46 LEU CD2 C 22.143 0.000 1 235 212 46 LEU N N 114.837 0.000 1 236 213 47 SER H H 7.468 0.000 1 237 213 47 SER C C 173.701 0.000 1 238 213 47 SER CA C 56.279 0.000 1 239 213 47 SER CB C 62.560 0.000 1 240 213 47 SER N N 110.813 0.000 1 241 214 48 ALA H H 6.536 0.000 1 242 214 48 ALA CA C 50.865 0.000 1 243 214 48 ALA CB C 18.290 0.000 1 244 214 48 ALA N N 123.939 0.000 1 245 216 50 LEU H H 7.684 0.000 1 246 216 50 LEU HD1 H 0.846 0.000 1 247 216 50 LEU HD2 H 0.982 0.000 1 248 216 50 LEU CA C 50.991 0.000 1 249 216 50 LEU CB C 46.562 0.000 1 250 216 50 LEU CD1 C 25.625 0.000 1 251 216 50 LEU CD2 C 23.257 0.000 1 252 216 50 LEU N N 123.118 0.000 1 253 218 52 LYS H H 8.990 0.000 1 254 218 52 LYS C C 178.275 0.000 1 255 218 52 LYS CA C 59.200 0.000 1 256 218 52 LYS N N 123.163 0.000 1 257 219 53 SER H H 8.458 0.000 1 258 219 53 SER C C 176.428 0.000 1 259 219 53 SER CA C 60.554 0.000 1 260 219 53 SER CB C 60.858 0.000 1 261 219 53 SER N N 112.088 0.000 1 262 220 54 ARG H H 7.636 0.000 1 263 220 54 ARG C C 178.334 0.000 1 264 220 54 ARG CA C 56.445 0.000 1 265 220 54 ARG CB C 27.805 0.000 1 266 220 54 ARG N N 123.528 0.000 1 267 221 55 ARG H H 7.895 0.000 1 268 221 55 ARG C C 177.542 0.000 1 269 221 55 ARG CA C 59.129 0.000 1 270 221 55 ARG CB C 30.875 0.000 1 271 221 55 ARG N N 119.058 0.000 1 272 222 56 LEU H H 7.609 0.000 1 273 222 56 LEU HD1 H 0.955 0.000 1 274 222 56 LEU HD2 H 0.889 0.000 1 275 222 56 LEU C C 177.718 0.000 1 276 222 56 LEU CA C 56.881 0.000 1 277 222 56 LEU CB C 40.087 0.000 1 278 222 56 LEU CD1 C 24.112 0.000 1 279 222 56 LEU CD2 C 26.387 0.000 1 280 222 56 LEU N N 118.743 0.000 1 281 223 57 GLU H H 7.671 0.000 1 282 223 57 GLU C C 179.316 0.000 1 283 223 57 GLU CA C 58.042 0.000 1 284 223 57 GLU CB C 27.871 0.000 1 285 223 57 GLU N N 117.403 0.000 1 286 224 58 ASN H H 8.507 0.000 1 287 224 58 ASN C C 177.454 0.000 1 288 224 58 ASN CA C 53.461 0.000 1 289 224 58 ASN CB C 36.282 0.000 1 290 224 58 ASN N N 118.839 0.000 1 291 225 59 LEU H H 8.045 0.000 1 292 225 59 LEU HD1 H 0.887 0.000 1 293 225 59 LEU HD2 H 0.921 0.000 1 294 225 59 LEU C C 179.258 0.000 1 295 225 59 LEU CA C 55.899 0.000 1 296 225 59 LEU CB C 39.086 0.000 1 297 225 59 LEU CD1 C 23.968 0.000 1 298 225 59 LEU CD2 C 24.983 0.000 1 299 225 59 LEU N N 121.983 0.000 1 300 226 60 ILE H H 8.217 0.000 1 301 226 60 ILE HD1 H 0.756 0.000 1 302 226 60 ILE C C 178.525 0.000 1 303 226 60 ILE CA C 60.048 0.000 1 304 226 60 ILE CB C 33.946 0.000 1 305 226 60 ILE CD1 C 9.127 0.000 1 306 226 60 ILE N N 118.702 0.000 1 307 227 61 ALA H H 7.843 0.000 1 308 227 61 ALA C C 178.847 0.000 1 309 227 61 ALA CA C 52.733 0.000 1 310 227 61 ALA CB C 16.729 0.000 1 311 227 61 ALA N N 121.272 0.000 1 312 228 62 GLN H H 7.417 0.000 1 313 228 62 GLN C C 174.244 0.000 1 314 228 62 GLN CA C 53.461 0.000 1 315 228 62 GLN CB C 27.370 0.000 1 316 228 62 GLN N N 114.124 0.000 1 317 229 63 LEU H H 7.600 0.000 1 318 229 63 LEU HD1 H 0.819 0.000 1 319 229 63 LEU HD2 H 0.786 0.000 1 320 229 63 LEU CA C 49.503 0.000 1 321 229 63 LEU CB C 39.553 0.000 1 322 229 63 LEU CD1 C 27.578 0.000 1 323 229 63 LEU CD2 C 23.802 0.000 1 324 229 63 LEU N N 121.505 0.000 1 325 231 65 GLY H H 8.678 0.000 1 326 231 65 GLY C C 174.889 0.000 1 327 231 65 GLY CA C 43.841 0.000 1 328 231 65 GLY N N 112.162 0.000 1 329 232 66 GLU H H 7.807 0.000 1 330 232 66 GLU C C 176.399 0.000 1 331 232 66 GLU CA C 54.000 0.000 1 332 232 66 GLU CB C 29.607 0.000 1 333 232 66 GLU N N 119.837 0.000 1 334 233 67 LYS H H 8.591 0.000 1 335 233 67 LYS CA C 52.764 0.000 1 336 233 67 LYS CB C 32.677 0.000 1 337 233 67 LYS N N 119.741 0.000 1 338 235 69 ASN H H 7.570 0.000 1 339 235 69 ASN C C 177.279 0.000 1 340 235 69 ASN CA C 50.105 0.000 1 341 235 69 ASN CB C 36.031 0.000 1 342 235 69 ASN N N 111.305 0.000 1 343 236 70 GLY H H 7.015 0.000 1 344 236 70 GLY C C 171.927 0.000 1 345 236 70 GLY CA C 43.455 0.000 1 346 236 70 GLY N N 106.807 0.000 1 347 237 71 LEU H H 8.269 0.000 1 348 237 71 LEU HD1 H 1.237 0.000 1 349 237 71 LEU HD2 H 1.014 0.000 1 350 237 71 LEU C C 177.733 0.000 1 351 237 71 LEU CA C 57.274 0.000 1 352 237 71 LEU CB C 39.594 0.000 1 353 237 71 LEU CD1 C 23.667 0.000 1 354 237 71 LEU CD2 C 27.611 0.000 1 355 237 71 LEU N N 121.573 0.000 1 356 238 72 PHE H H 9.088 0.000 1 357 238 72 PHE C C 177.586 0.000 1 358 238 72 PHE CA C 62.011 0.000 1 359 238 72 PHE CB C 37.283 0.000 1 360 238 72 PHE N N 119.550 0.000 1 361 239 73 GLY H H 9.321 0.000 1 362 239 73 GLY C C 175.285 0.000 1 363 239 73 GLY CA C 45.897 0.000 1 364 239 73 GLY N N 107.518 0.000 1 365 240 74 ASN H H 8.520 0.000 1 366 240 74 ASN C C 178.481 0.000 1 367 240 74 ASN CA C 53.145 0.000 1 368 240 74 ASN CB C 36.549 0.000 1 369 240 74 ASN N N 119.126 0.000 1 370 241 75 LEU H H 8.345 0.000 1 371 241 75 LEU HD1 H 1.219 0.000 1 372 241 75 LEU HD2 H 1.154 0.000 1 373 241 75 LEU CA C 56.790 0.000 1 374 241 75 LEU CB C 39.620 0.000 1 375 241 75 LEU CD1 C 25.003 0.000 1 376 241 75 LEU CD2 C 24.947 0.000 1 377 241 75 LEU N N 123.831 0.000 1 378 242 76 ILE HD1 H 0.477 0.000 1 379 242 76 ILE CD1 C 8.011 0.000 1 380 244 78 LEU HD1 H 0.900 0.000 1 381 244 78 LEU HD2 H 0.308 0.000 1 382 244 78 LEU CD1 C 27.294 0.000 1 383 244 78 LEU CD2 C 22.086 0.000 1 384 246 80 LEU H H 7.971 0.000 1 385 246 80 LEU HD1 H 0.862 0.000 1 386 246 80 LEU HD2 H 1.053 0.000 1 387 246 80 LEU C C 176.736 0.000 1 388 246 80 LEU CA C 54.067 0.000 1 389 246 80 LEU CB C 42.690 0.000 1 390 246 80 LEU CD1 C 26.815 0.000 1 391 246 80 LEU CD2 C 24.162 0.000 1 392 246 80 LEU N N 119.957 0.000 1 393 247 81 GLY H H 7.851 0.000 1 394 247 81 GLY C C 176.311 0.000 1 395 247 81 GLY CA C 44.056 0.000 1 396 247 81 GLY N N 105.372 0.000 1 397 248 82 LEU H H 7.909 0.000 1 398 248 82 LEU HD1 H 0.837 0.000 1 399 248 82 LEU HD2 H 0.937 0.000 1 400 248 82 LEU C C 174.478 0.000 1 401 248 82 LEU CA C 52.891 0.000 1 402 248 82 LEU CB C 39.553 0.000 1 403 248 82 LEU CD1 C 24.790 0.000 1 404 248 82 LEU CD2 C 22.763 0.000 1 405 248 82 LEU N N 122.353 0.000 1 406 249 83 THR H H 7.971 0.000 1 407 249 83 THR CA C 56.881 0.000 1 408 249 83 THR CB C 67.722 0.000 1 409 249 83 THR N N 113.529 0.000 1 410 251 85 ASN H H 7.973 0.000 1 411 251 85 ASN C C 176.560 0.000 1 412 251 85 ASN CA C 48.871 0.000 1 413 251 85 ASN CB C 38.151 0.000 1 414 251 85 ASN N N 114.646 0.000 1 415 252 86 PHE H H 8.740 0.000 1 416 252 86 PHE C C 175.798 0.000 1 417 252 86 PHE CA C 58.306 0.000 1 418 252 86 PHE CB C 38.084 0.000 1 419 252 86 PHE N N 123.200 0.000 1 420 253 87 LYS H H 7.785 0.000 1 421 253 87 LYS C C 178.378 0.000 1 422 253 87 LYS CA C 59.098 0.000 1 423 253 87 LYS CB C 31.743 0.000 1 424 253 87 LYS N N 121.532 0.000 1 425 254 88 SER H H 8.511 0.000 1 426 254 88 SER C C 176.751 0.000 1 427 254 88 SER CA C 59.288 0.000 1 428 254 88 SER CB C 61.047 0.000 1 429 254 88 SER N N 112.346 0.000 1 430 255 89 ASN H H 7.891 0.000 1 431 255 89 ASN C C 175.109 0.000 1 432 255 89 ASN CA C 53.810 0.000 1 433 255 89 ASN CB C 38.952 0.000 1 434 255 89 ASN N N 118.702 0.000 1 435 256 90 PHE H H 6.865 0.000 1 436 256 90 PHE C C 173.159 0.000 1 437 256 90 PHE CA C 55.424 0.000 1 438 256 90 PHE CB C 39.600 0.000 1 439 256 90 PHE N N 113.338 0.000 1 440 257 91 ASP H H 7.711 0.000 1 441 257 91 ASP C C 175.182 0.000 1 442 257 91 ASP CA C 53.873 0.000 1 443 257 91 ASP CB C 38.018 0.000 1 444 257 91 ASP N N 119.796 0.000 1 445 258 92 LEU H H 8.032 0.000 1 446 258 92 LEU HD1 H 0.839 0.000 1 447 258 92 LEU HD2 H 0.797 0.000 1 448 258 92 LEU C C 177.352 0.000 1 449 258 92 LEU CA C 52.670 0.000 1 450 258 92 LEU CB C 40.754 0.000 1 451 258 92 LEU CD1 C 25.606 0.000 1 452 258 92 LEU CD2 C 21.738 0.000 1 453 258 92 LEU N N 116.638 0.000 1 454 259 93 ALA H H 8.476 0.000 1 455 259 93 ALA C C 178.114 0.000 1 456 259 93 ALA CA C 52.258 0.000 1 457 259 93 ALA CB C 18.077 0.000 1 458 259 93 ALA N N 121.833 0.000 1 459 260 94 GLU H H 7.555 0.000 1 460 260 94 GLU C C 174.537 0.000 1 461 260 94 GLU CA C 52.195 0.000 1 462 260 94 GLU CB C 31.409 0.000 1 463 260 94 GLU N N 115.418 0.000 1 464 261 95 ASP H H 8.181 0.000 1 465 261 95 ASP C C 175.534 0.000 1 466 261 95 ASP CA C 55.140 0.000 1 467 261 95 ASP CB C 40.821 0.000 1 468 261 95 ASP N N 116.829 0.000 1 469 262 96 ALA H H 8.243 0.000 1 470 262 96 ALA C C 175.299 0.000 1 471 262 96 ALA CA C 49.155 0.000 1 472 262 96 ALA CB C 18.793 0.000 1 473 262 96 ALA N N 126.605 0.000 1 474 263 97 LYS H H 8.234 0.000 1 475 263 97 LYS C C 176.927 0.000 1 476 263 97 LYS CA C 54.316 0.000 1 477 263 97 LYS CB C 31.276 0.000 1 478 263 97 LYS N N 123.337 0.000 1 479 264 98 LEU H H 8.019 0.000 1 480 264 98 LEU HD1 H 0.714 0.000 1 481 264 98 LEU HD2 H 0.720 0.000 1 482 264 98 LEU C C 173.511 0.000 1 483 264 98 LEU CA C 52.416 0.000 1 484 264 98 LEU CB C 46.295 0.000 1 485 264 98 LEU CD1 C 26.072 0.000 1 486 264 98 LEU CD2 C 24.456 0.000 1 487 264 98 LEU N N 124.745 0.000 1 488 265 99 GLN H H 8.049 0.000 1 489 265 99 GLN C C 176.208 0.000 1 490 265 99 GLN CA C 53.588 0.000 1 491 265 99 GLN CB C 30.274 0.000 1 492 265 99 GLN N N 118.401 0.000 1 493 266 100 LEU H H 8.617 0.000 1 494 266 100 LEU HD1 H 1.310 0.000 1 495 266 100 LEU HD2 H 1.376 0.000 1 496 266 100 LEU C C 177.586 0.000 1 497 266 100 LEU CA C 56.121 0.000 1 498 266 100 LEU CB C 40.621 0.000 1 499 266 100 LEU CD1 C 25.171 0.000 1 500 266 100 LEU CD2 C 26.761 0.000 1 501 266 100 LEU N N 127.780 0.000 1 502 267 101 SER H H 8.045 0.000 1 503 267 101 SER C C 174.933 0.000 1 504 267 101 SER CA C 56.944 0.000 1 505 267 101 SER CB C 61.820 0.000 1 506 267 101 SER N N 109.173 0.000 1 507 268 102 LYS H H 7.539 0.000 1 508 268 102 LYS CA C 55.108 0.000 1 509 268 102 LYS CB C 32.944 0.000 1 510 268 102 LYS N N 124.909 0.000 1 511 269 103 ASP H H 9.051 0.000 1 512 269 103 ASP C C 177.279 0.000 1 513 269 103 ASP CA C 55.381 0.000 1 514 269 103 ASP N N 126.968 0.000 1 515 270 104 THR H H 7.028 0.000 1 516 270 104 THR C C 174.801 0.000 1 517 270 104 THR CA C 60.206 0.000 1 518 270 104 THR CB C 67.814 0.000 1 519 270 104 THR N N 107.258 0.000 1 520 271 105 TYR H H 7.856 0.000 1 521 271 105 TYR C C 175.343 0.000 1 522 271 105 TYR CA C 61.923 0.000 1 523 271 105 TYR CB C 36.749 0.000 1 524 271 105 TYR N N 123.665 0.000 1 525 272 106 ASP H H 8.503 0.000 1 526 272 106 ASP C C 178.877 0.000 1 527 272 106 ASP CA C 56.818 0.000 1 528 272 106 ASP CB C 38.552 0.000 1 529 272 106 ASP N N 116.474 0.000 1 530 273 107 ASP H H 7.504 0.000 1 531 273 107 ASP C C 178.056 0.000 1 532 273 107 ASP CA C 55.583 0.000 1 533 273 107 ASP CB C 39.486 0.000 1 534 273 107 ASP N N 120.288 0.000 1 535 274 108 ASP H H 8.723 0.000 1 536 274 108 ASP C C 179.375 0.000 1 537 274 108 ASP CA C 55.709 0.000 1 538 274 108 ASP CB C 39.019 0.000 1 539 274 108 ASP N N 123.843 0.000 1 540 275 109 LEU H H 8.987 0.000 1 541 275 109 LEU HD1 H 0.092 0.000 1 542 275 109 LEU HD2 H 0.900 0.000 1 543 275 109 LEU C C 178.305 0.000 1 544 275 109 LEU CA C 56.121 0.000 1 545 275 109 LEU CB C 38.285 0.000 1 546 275 109 LEU CD1 C 22.385 0.000 1 547 275 109 LEU CD2 C 25.392 0.000 1 548 275 109 LEU N N 124.280 0.000 1 549 276 110 ASP H H 7.684 0.000 1 550 276 110 ASP C C 179.199 0.000 1 551 276 110 ASP CA C 56.469 0.000 1 552 276 110 ASP CB C 39.152 0.000 1 553 276 110 ASP N N 120.603 0.000 1 554 277 111 ASN H H 7.944 0.000 1 555 277 111 ASN C C 177.806 0.000 1 556 277 111 ASN CA C 54.693 0.000 1 557 277 111 ASN CB C 37.283 0.000 1 558 277 111 ASN N N 117.636 0.000 1 559 278 112 LEU H H 7.512 0.000 1 560 278 112 LEU HD1 H 0.685 0.000 1 561 278 112 LEU HD2 H 0.223 0.000 1 562 278 112 LEU C C 179.390 0.000 1 563 278 112 LEU CA C 56.628 0.000 1 564 278 112 LEU CB C 39.353 0.000 1 565 278 112 LEU CD1 C 24.011 0.000 1 566 278 112 LEU CD2 C 27.145 0.000 1 567 278 112 LEU N N 122.599 0.000 1 568 279 113 LEU H H 8.912 0.000 1 569 279 113 LEU HD1 H 0.838 0.000 1 570 279 113 LEU HD2 H 0.640 0.000 1 571 279 113 LEU C C 179.859 0.000 1 572 279 113 LEU CA C 55.994 0.000 1 573 279 113 LEU CB C 38.752 0.000 1 574 279 113 LEU CD1 C 26.033 0.000 1 575 279 113 LEU CD2 C 21.957 0.000 1 576 279 113 LEU N N 120.028 0.000 1 577 280 114 ALA H H 7.953 0.000 1 578 280 114 ALA C C 179.155 0.000 1 579 280 114 ALA CA C 53.081 0.000 1 580 280 114 ALA CB C 16.724 0.000 1 581 280 114 ALA N N 121.396 0.000 1 582 281 115 GLN H H 7.334 0.000 1 583 281 115 GLN C C 177.968 0.000 1 584 281 115 GLN CA C 56.089 0.000 1 585 281 115 GLN CB C 29.936 0.000 1 586 281 115 GLN N N 113.970 0.000 1 587 282 116 ILE H H 7.671 0.000 1 588 282 116 ILE HD1 H -0.383 0.000 1 589 282 116 ILE C C 175.915 0.000 1 590 282 116 ILE CA C 61.346 0.000 1 591 282 116 ILE CB C 36.810 0.000 1 592 282 116 ILE CD1 C 12.554 0.000 1 593 282 116 ILE N N 111.141 0.000 1 594 283 117 GLY H H 8.090 0.000 1 595 283 117 GLY C C 174.082 0.000 1 596 283 117 GLY CA C 43.075 0.000 1 597 283 117 GLY N N 112.735 0.000 1 598 284 118 ASP H H 8.217 0.000 1 599 284 118 ASP C C 178.789 0.000 1 600 284 118 ASP CA C 55.112 0.000 1 601 284 118 ASP CB C 39.219 0.000 1 602 284 118 ASP N N 121.245 0.000 1 603 285 119 GLN H H 9.730 0.000 1 604 285 119 GLN C C 176.487 0.000 1 605 285 119 GLN CA C 56.289 0.000 1 606 285 119 GLN CB C 24.801 0.000 1 607 285 119 GLN N N 121.833 0.000 1 608 286 120 TYR H H 7.275 0.000 1 609 286 120 TYR C C 176.296 0.000 1 610 286 120 TYR CA C 58.496 0.000 1 611 286 120 TYR CB C 37.350 0.000 1 612 286 120 TYR N N 117.020 0.000 1 613 287 121 ALA H H 8.014 0.000 1 614 287 121 ALA C C 180.475 0.000 1 615 287 121 ALA CA C 55.506 0.000 1 616 287 121 ALA CB C 16.924 0.000 1 617 287 121 ALA N N 124.321 0.000 1 618 288 122 ASP H H 8.547 0.000 1 619 288 122 ASP C C 178.847 0.000 1 620 288 122 ASP CA C 55.931 0.000 1 621 288 122 ASP CB C 38.819 0.000 1 622 288 122 ASP N N 117.239 0.000 1 623 289 123 LEU H H 7.759 0.000 1 624 289 123 LEU HD1 H 0.841 0.000 1 625 289 123 LEU HD2 H 0.476 0.000 1 626 289 123 LEU CA C 56.279 0.000 1 627 289 123 LEU CB C 40.087 0.000 1 628 289 123 LEU CD1 C 26.473 0.000 1 629 289 123 LEU CD2 C 22.690 0.000 1 630 289 123 LEU N N 121.888 0.000 1 631 291 125 LEU H H 8.239 0.000 1 632 291 125 LEU HD1 H 0.915 0.000 1 633 291 125 LEU HD2 H 0.378 0.000 1 634 291 125 LEU C C 178.129 0.000 1 635 291 125 LEU CA C 56.881 0.000 1 636 291 125 LEU CB C 39.820 0.000 1 637 291 125 LEU CD1 C 27.430 0.000 1 638 291 125 LEU CD2 C 22.986 0.000 1 639 291 125 LEU N N 125.073 0.000 1 640 292 126 ALA H H 8.001 0.000 1 641 292 126 ALA C C 181.486 0.000 1 642 292 126 ALA CA C 53.461 0.000 1 643 292 126 ALA CB C 15.990 0.000 1 644 292 126 ALA N N 120.685 0.000 1 645 293 127 ALA H H 7.828 0.000 1 646 293 127 ALA C C 179.199 0.000 1 647 293 127 ALA CA C 53.660 0.000 1 648 293 127 ALA CB C 16.657 0.000 1 649 293 127 ALA N N 122.859 0.000 1 650 294 128 LYS H H 8.001 0.000 1 651 294 128 LYS C C 178.422 0.000 1 652 294 128 LYS CA C 58.021 0.000 1 653 294 128 LYS CB C 30.208 0.000 1 654 294 128 LYS N N 122.708 0.000 1 655 295 129 ASN H H 8.608 0.000 1 656 295 129 ASN C C 178.319 0.000 1 657 295 129 ASN CA C 54.443 0.000 1 658 295 129 ASN CB C 36.015 0.000 1 659 295 129 ASN N N 118.935 0.000 1 660 296 130 LEU H H 7.768 0.000 1 661 296 130 LEU HD1 H 1.064 0.000 1 662 296 130 LEU HD2 H 1.031 0.000 1 663 296 130 LEU C C 177.161 0.000 1 664 296 130 LEU CA C 56.659 0.000 1 665 296 130 LEU CB C 39.620 0.000 1 666 296 130 LEU CD1 C 24.397 0.000 1 667 296 130 LEU CD2 C 26.676 0.000 1 668 296 130 LEU N N 120.493 0.000 1 669 297 131 SER H H 7.959 0.000 1 670 297 131 SER C C 177.161 0.000 1 671 297 131 SER CA C 59.482 0.000 1 672 297 131 SER CB C 62.115 0.000 1 673 297 131 SER N N 114.953 0.000 1 674 298 132 ASP H H 7.851 0.000 1 675 298 132 ASP C C 178.100 0.000 1 676 298 132 ASP CA C 55.868 0.000 1 677 298 132 ASP CB C 39.019 0.000 1 678 298 132 ASP N N 119.427 0.000 1 679 299 133 ALA H H 7.262 0.000 1 680 299 133 ALA C C 180.211 0.000 1 681 299 133 ALA CA C 53.208 0.000 1 682 299 133 ALA CB C 17.658 0.000 1 683 299 133 ALA N N 121.177 0.000 1 684 300 134 ILE H H 8.265 0.000 1 685 300 134 ILE HD1 H 0.792 0.000 1 686 300 134 ILE C C 178.965 0.000 1 687 300 134 ILE CA C 64.069 0.000 1 688 300 134 ILE CB C 36.883 0.000 1 689 300 134 ILE CD1 C 14.531 0.000 1 690 300 134 ILE N N 121.136 0.000 1 691 301 135 LEU H H 8.331 0.000 1 692 301 135 LEU C C 179.683 0.000 1 693 301 135 LEU CA C 56.438 0.000 1 694 301 135 LEU CB C 40.087 0.000 1 695 301 135 LEU N N 121.122 0.000 1 696 302 136 LEU H H 7.715 0.000 1 697 302 136 LEU HD1 H 0.923 0.000 1 698 302 136 LEU HD2 H 0.919 0.000 1 699 302 136 LEU C C 178.613 0.000 1 700 302 136 LEU CA C 55.475 0.000 1 701 302 136 LEU CB C 40.324 0.000 1 702 302 136 LEU CD1 C 24.839 0.000 1 703 302 136 LEU CD2 C 23.627 0.000 1 704 302 136 LEU N N 119.222 0.000 1 705 303 137 SER H H 7.661 0.000 1 706 303 137 SER C C 175.035 0.000 1 707 303 137 SER CA C 58.844 0.000 1 708 303 137 SER CB C 62.182 0.000 1 709 303 137 SER N N 113.852 0.000 1 710 304 138 ASP H H 7.777 0.000 1 711 304 138 ASP C C 176.839 0.000 1 712 304 138 ASP CA C 53.810 0.000 1 713 304 138 ASP CB C 40.087 0.000 1 714 304 138 ASP N N 121.792 0.000 1 715 305 139 ILE H H 7.631 0.000 1 716 305 139 ILE HD1 H 0.903 0.000 1 717 305 139 ILE C C 176.443 0.000 1 718 305 139 ILE CA C 60.554 0.000 1 719 305 139 ILE CB C 37.283 0.000 1 720 305 139 ILE CD1 C 13.334 0.000 1 721 305 139 ILE N N 118.935 0.000 1 722 306 140 LEU H H 7.966 0.000 1 723 306 140 LEU HD1 H 0.957 0.000 1 724 306 140 LEU HD2 H 0.899 0.000 1 725 306 140 LEU C C 176.252 0.000 1 726 306 140 LEU CA C 53.715 0.000 1 727 306 140 LEU CB C 40.220 0.000 1 728 306 140 LEU CD1 C 25.202 0.000 1 729 306 140 LEU CD2 C 23.105 0.000 1 730 306 140 LEU N N 124.663 0.000 1 731 307 141 ARG H H 7.636 0.000 1 732 307 141 ARG CA C 56.058 0.000 1 733 307 141 ARG CB C 29.874 0.000 1 734 307 141 ARG N N 127.193 0.000 1 stop_ save_