data_17623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MODEL OF HUMAN U2AF65 TANDEM RRM1 AND RRM2 DOMAINS WITH EIGHT-SITE URIDINE BINDING ; _BMRB_accession_number 17623 _BMRB_flat_file_name bmr17623.str _Entry_type original _Submission_date 2011-05-04 _Accession_date 2011-05-04 _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 Mackereth C. D. . 2 Madl T. . . 3 Simon B. . . 4 Zanier K. . . 5 Gasch A. . . 6 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 742 "13C chemical shifts" 375 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17622 'human U2AF65 closed conformation' stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Multi-domain conformational selection underlies pre-mRNA splicing regulation by U2AF' _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 Mackereth C. D. . 2 Madl T. . . 3 Bonnal S. . . 4 Simon B. . . 5 Zanier K. . . 6 Gasch A. . . 7 Rybin V. . . 8 Valcarcel J. . . 9 Sattler Michael . . stop_ _Journal_abbreviation Nature _Journal_name_full Nature _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 'Model of human U2AF65 tandem RRM1 and RRM2 domains with eight-site uridine binding' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUMAN U2AF65' $HUMAN_U2AF65 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' $5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' stop_ _System_molecular_weight 24266.07144 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HUMAN_U2AF65 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUMAN_U2AF65 _Molecular_mass 21491.534 _Mol_thiol_state 'all free' _Details 'STRUCTURE BASED ON DATA FROM TEN CYSTEINE MU (N155C, A164C, A171C, L187C, A188C, T209C, D273C, S281C, A A318C) COVALENTLY MODIFIED BY 3-(2-IODOACETAMIDO)-2,2,5,5, TETRAMETHYL-1-PYRROLIDINYLOXY RADICAL (IODOACETAMIDO-PROXY' ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; GAMARRLYVGNIPFGITEEA MMDFFNAQMRLGGLTQAPGN PVLAVQINQDKNFAFLEFRS VDETTQAMAFDGIIFQGQSL KIRRPHDYQPLPGMSENPSV YVPGVVSTVVPDSAHKLFIG GLPNYLNDDQVKELLTSFGP LKAFNLVKDSATGLSKGYAF CEYVDINVTDQAIAGLNGMQ LGDKKLLVQRASVGAKNA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 145 GLY 2 146 ALA 3 147 MET 4 148 ALA 5 149 ARG 6 150 ARG 7 151 LEU 8 152 TYR 9 153 VAL 10 154 GLY 11 155 ASN 12 156 ILE 13 157 PRO 14 158 PHE 15 159 GLY 16 160 ILE 17 161 THR 18 162 GLU 19 163 GLU 20 164 ALA 21 165 MET 22 166 MET 23 167 ASP 24 168 PHE 25 169 PHE 26 170 ASN 27 171 ALA 28 172 GLN 29 173 MET 30 174 ARG 31 175 LEU 32 176 GLY 33 177 GLY 34 178 LEU 35 179 THR 36 180 GLN 37 181 ALA 38 182 PRO 39 183 GLY 40 184 ASN 41 185 PRO 42 186 VAL 43 187 LEU 44 188 ALA 45 189 VAL 46 190 GLN 47 191 ILE 48 192 ASN 49 193 GLN 50 194 ASP 51 195 LYS 52 196 ASN 53 197 PHE 54 198 ALA 55 199 PHE 56 200 LEU 57 201 GLU 58 202 PHE 59 203 ARG 60 204 SER 61 205 VAL 62 206 ASP 63 207 GLU 64 208 THR 65 209 THR 66 210 GLN 67 211 ALA 68 212 MET 69 213 ALA 70 214 PHE 71 215 ASP 72 216 GLY 73 217 ILE 74 218 ILE 75 219 PHE 76 220 GLN 77 221 GLY 78 222 GLN 79 223 SER 80 224 LEU 81 225 LYS 82 226 ILE 83 227 ARG 84 228 ARG 85 229 PRO 86 230 HIS 87 231 ASP 88 232 TYR 89 233 GLN 90 234 PRO 91 235 LEU 92 236 PRO 93 237 GLY 94 238 MET 95 239 SER 96 240 GLU 97 241 ASN 98 242 PRO 99 243 SER 100 244 VAL 101 245 TYR 102 246 VAL 103 247 PRO 104 248 GLY 105 249 VAL 106 250 VAL 107 251 SER 108 252 THR 109 253 VAL 110 254 VAL 111 255 PRO 112 256 ASP 113 257 SER 114 258 ALA 115 259 HIS 116 260 LYS 117 261 LEU 118 262 PHE 119 263 ILE 120 264 GLY 121 265 GLY 122 266 LEU 123 267 PRO 124 268 ASN 125 269 TYR 126 270 LEU 127 271 ASN 128 272 ASP 129 273 ASP 130 274 GLN 131 275 VAL 132 276 LYS 133 277 GLU 134 278 LEU 135 279 LEU 136 280 THR 137 281 SER 138 282 PHE 139 283 GLY 140 284 PRO 141 285 LEU 142 286 LYS 143 287 ALA 144 288 PHE 145 289 ASN 146 290 LEU 147 291 VAL 148 292 LYS 149 293 ASP 150 294 SER 151 295 ALA 152 296 THR 153 297 GLY 154 298 LEU 155 299 SER 156 300 LYS 157 301 GLY 158 302 TYR 159 303 ALA 160 304 PHE 161 305 CYS 162 306 GLU 163 307 TYR 164 308 VAL 165 309 ASP 166 310 ILE 167 311 ASN 168 312 VAL 169 313 THR 170 314 ASP 171 315 GLN 172 316 ALA 173 317 ILE 174 318 ALA 175 319 GLY 176 320 LEU 177 321 ASN 178 322 GLY 179 323 MET 180 324 GLN 181 325 LEU 182 326 GLY 183 327 ASP 184 328 LYS 185 329 LYS 186 330 LEU 187 331 LEU 188 332 VAL 189 333 GLN 190 334 ARG 191 335 ALA 192 336 SER 193 337 VAL 194 338 GLY 195 339 ALA 196 340 LYS 197 341 ASN 198 342 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17622 HUMAN_U2AF65 100.00 198 100.00 100.00 1.99e-141 PDB 2YH0 "Solution Structure Of The Closed Conformation Of Human U2af65 Tandem Rrm1 And Rrm2 Domains" 100.00 198 100.00 100.00 1.99e-141 PDB 2YH1 "Model Of Human U2af65 Tandem Rrm1 And Rrm2 Domains With Eight-Site Uridine Binding" 100.00 198 100.00 100.00 1.99e-141 DBJ BAC37309 "unnamed protein product [Mus musculus]" 98.48 475 100.00 100.00 1.27e-136 DBJ BAG70075 "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" 98.48 471 99.49 99.49 4.67e-135 DBJ BAG70201 "U2 small nuclear RNA auxiliary factor 2 isoform b [Homo sapiens]" 98.48 471 99.49 99.49 4.67e-135 DBJ BAI45669 "U2 small nuclear RNA auxiliary factor 2 [synthetic construct]" 98.48 471 100.00 100.00 1.28e-136 EMBL CAA45409 "splicing factor U2AF [Homo sapiens]" 98.48 475 100.00 100.00 1.43e-136 EMBL CAA45874 "splicing factor U2AF [Mus musculus]" 98.48 475 100.00 100.00 1.27e-136 EMBL CAA45875 "unnamed protein product [Mus musculus]" 98.48 492 100.00 100.00 1.74e-136 EMBL CAF97922 "unnamed protein product, partial [Tetraodon nigroviridis]" 98.48 458 97.44 99.49 1.16e-134 GB AAH07487 "U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2 [Mus musculus]" 89.39 306 100.00 100.00 3.56e-123 GB AAH08740 "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" 98.48 471 100.00 100.00 1.28e-136 GB AAH30574 "U2 small nuclear RNA auxiliary factor 2 [Homo sapiens]" 98.48 471 100.00 100.00 1.28e-136 GB AAH43071 "U2af2 protein [Mus musculus]" 98.48 471 100.00 100.00 1.28e-136 GB AAH44032 "U2af2 protein [Xenopus laevis]" 98.48 456 100.00 100.00 8.07e-137 PRF 1805352A "splicing factor U2AF:SUBUNIT=large" 98.48 475 100.00 100.00 1.43e-136 REF NP_001001217 "splicing factor U2AF 65 kDa subunit isoform 2 [Xenopus (Silurana) tropicalis]" 98.48 456 100.00 100.00 1.33e-136 REF NP_001012496 "splicing factor U2AF 65 kDa subunit isoform b [Homo sapiens]" 98.48 471 100.00 100.00 1.28e-136 REF NP_001025127 "U2 small nuclear RNA auxiliary factor 2a [Danio rerio]" 98.48 465 96.92 99.49 2.29e-134 REF NP_001068804 "splicing factor U2AF 65 kDa subunit [Bos taurus]" 98.48 475 100.00 100.00 1.50e-136 REF NP_001080595 "U2 small nuclear RNA auxiliary factor 2 [Xenopus laevis]" 98.48 456 100.00 100.00 8.07e-137 SP P26368 "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; Short=hU2AF(65); Short=hU2" 98.48 475 100.00 100.00 1.43e-136 SP P26369 "RecName: Full=Splicing factor U2AF 65 kDa subunit; AltName: Full=U2 auxiliary factor 65 kDa subunit; AltName: Full=U2 snRNP aux" 98.48 475 100.00 100.00 1.27e-136 TPG DAA19368 "TPA: U2 (RNU2) small nuclear RNA auxiliary factor 2 [Bos taurus]" 98.48 475 100.00 100.00 1.50e-136 stop_ save_ save_5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' _Molecular_mass 2774.53744 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence UUUUUUUUU loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 U 4 U 5 U 6 U 7 U 8 U 9 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2YH1 2YH1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' HUMAN 9606 Eukaryota Metazoa Homo sapiens $HUMAN_U2AF65 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' 'chemical synthesis' unknown unknown unknown . . n/a . $HUMAN_U2AF65 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pLysS n/a . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'protein 0.2 mM RNA 0.24 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HUMAN_U2AF65 0.2 mM '[U-13C; U-15N]' $5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3' 0.24 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version any 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H _Sample_label $sample_1 save_ save_15N_HSQC_(PRE)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC (PRE)' _Sample_label $sample_1 save_ save_15N_TROSY_(HN-N_RDC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TROSY (HN-N RDC)' _Sample_label $sample_1 save_ save_3D_HNCO_(N-CO_RDC)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO (N-CO RDC)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [295], pressure [1], ionStrength [70.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 295.000 . 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 0.0 external indirect . . . 0.25144953 HDO H 1 'water protons' ppm 4.8 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 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 '15N HSQC (PRE)' 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 'HUMAN U2AF65' _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 1 148 4 ALA H H 8.168 0.02 1 2 148 4 ALA N N 120.008 0.2 1 3 149 5 ARG H H 7.811 0.02 1 4 149 5 ARG N N 115.713 0.2 1 5 150 6 ARG H H 6.834 0.02 1 6 150 6 ARG N N 117.215 0.2 1 7 151 7 LEU H H 8.499 0.02 1 8 151 7 LEU HB2 H 1.409 0.02 2 9 151 7 LEU HB3 H 1.236 0.02 2 10 151 7 LEU CB C 46.938 0.2 1 11 151 7 LEU N N 114.372 0.2 1 12 152 8 TYR H H 9.349 0.02 1 13 152 8 TYR HD1 H 6.205 0.02 1 14 152 8 TYR HD2 H 6.205 0.02 1 15 152 8 TYR HE1 H 5.895 0.02 1 16 152 8 TYR HE2 H 5.895 0.02 1 17 152 8 TYR N N 123.358 0.2 1 18 153 9 VAL H H 8.202 0.02 1 19 153 9 VAL N N 127.090 0.2 1 20 154 10 GLY H H 9.521 0.02 1 21 154 10 GLY N N 113.895 0.2 1 22 155 11 ASN H H 9.403 0.02 1 23 155 11 ASN N N 123.139 0.2 1 24 156 12 ILE H H 6.266 0.02 1 25 158 14 PHE H H 8.470 0.02 1 26 158 14 PHE N N 123.392 0.2 1 27 159 15 GLY H H 8.075 0.02 1 28 159 15 GLY HA2 H 3.676 0.02 2 29 159 15 GLY HA3 H 3.240 0.02 2 30 159 15 GLY CA C 45.277 0.2 1 31 159 15 GLY N N 114.530 0.2 1 32 160 16 ILE H H 6.934 0.02 1 33 160 16 ILE HA H 4.186 0.02 1 34 160 16 ILE HB H 1.648 0.02 1 35 160 16 ILE HG12 H 1.508 0.02 2 36 160 16 ILE HG13 H 1.228 0.02 2 37 160 16 ILE HG2 H 0.724 0.02 1 38 160 16 ILE HD1 H 0.717 0.02 1 39 160 16 ILE CA C 58.354 0.2 1 40 160 16 ILE CB C 39.068 0.2 1 41 160 16 ILE CG1 C 28.419 0.2 1 42 160 16 ILE CG2 C 19.376 0.2 1 43 160 16 ILE CD1 C 14.492 0.2 1 44 160 16 ILE N N 119.791 0.2 1 45 161 17 THR H H 7.071 0.02 1 46 161 17 THR HA H 4.468 0.02 1 47 161 17 THR HB H 4.649 0.02 1 48 161 17 THR HG2 H 1.209 0.02 1 49 161 17 THR CA C 59.454 0.2 1 50 161 17 THR CB C 71.887 0.2 1 51 161 17 THR CG2 C 21.896 0.2 1 52 161 17 THR N N 112.165 0.2 1 53 162 18 GLU H H 9.160 0.02 1 54 162 18 GLU HA H 3.488 0.02 1 55 162 18 GLU HB2 H 1.980 0.02 2 56 162 18 GLU HB3 H 1.871 0.02 2 57 162 18 GLU HG2 H 2.270 0.02 2 58 162 18 GLU HG3 H 2.213 0.02 2 59 162 18 GLU CA C 60.582 0.2 1 60 162 18 GLU CB C 28.565 0.2 1 61 162 18 GLU CG C 37.392 0.2 1 62 162 18 GLU N N 121.753 0.2 1 63 163 19 GLU H H 8.747 0.02 1 64 163 19 GLU HA H 3.816 0.02 1 65 163 19 GLU HB2 H 1.986 0.02 2 66 163 19 GLU HB3 H 1.855 0.02 2 67 163 19 GLU HG2 H 2.268 0.02 2 68 163 19 GLU HG3 H 2.206 0.02 2 69 163 19 GLU CA C 59.983 0.2 1 70 163 19 GLU CB C 28.585 0.2 1 71 163 19 GLU CG C 36.481 0.2 1 72 163 19 GLU N N 118.020 0.2 1 73 164 20 ALA H H 7.760 0.02 1 74 164 20 ALA HA H 4.186 0.02 1 75 164 20 ALA HB H 1.468 0.02 1 76 164 20 ALA CA C 55.026 0.2 1 77 164 20 ALA CB C 18.696 0.2 1 78 164 20 ALA N N 120.834 0.2 1 79 165 21 MET H H 7.876 0.02 1 80 165 21 MET HA H 4.095 0.02 1 81 165 21 MET HE H 1.723 0.02 1 82 165 21 MET CA C 58.647 0.2 1 83 165 21 MET CE C 17.755 0.2 1 84 165 21 MET N N 117.536 0.2 1 85 166 22 MET H H 8.550 0.02 1 86 166 22 MET HA H 3.512 0.02 1 87 166 22 MET HB2 H 2.087 0.02 2 88 166 22 MET HB3 H 1.966 0.02 2 89 166 22 MET HG2 H 2.199 0.02 2 90 166 22 MET HG3 H 2.148 0.02 2 91 166 22 MET HE H 1.868 0.02 1 92 166 22 MET CA C 60.461 0.2 1 93 166 22 MET CB C 33.633 0.2 1 94 166 22 MET CG C 31.691 0.2 1 95 166 22 MET CE C 16.598 0.2 1 96 166 22 MET N N 120.309 0.2 1 97 167 23 ASP H H 8.613 0.02 1 98 167 23 ASP HA H 4.277 0.02 1 99 167 23 ASP HB2 H 2.725 0.02 2 100 167 23 ASP HB3 H 2.604 0.02 2 101 167 23 ASP CA C 57.283 0.2 1 102 167 23 ASP CB C 40.328 0.2 1 103 167 23 ASP N N 118.406 0.2 1 104 168 24 PHE H H 7.667 0.02 1 105 168 24 PHE HA H 4.332 0.02 1 106 168 24 PHE HB2 H 2.996 0.02 2 107 168 24 PHE HB3 H 2.489 0.02 2 108 168 24 PHE HD1 H 6.372 0.02 1 109 168 24 PHE HD2 H 6.372 0.02 1 110 168 24 PHE HE1 H 6.595 0.02 1 111 168 24 PHE HE2 H 6.595 0.02 1 112 168 24 PHE HZ H 6.780 0.02 1 113 168 24 PHE CA C 61.176 0.2 1 114 168 24 PHE CB C 39.387 0.2 1 115 168 24 PHE N N 119.510 0.2 1 116 169 25 PHE H H 8.032 0.02 1 117 169 25 PHE HA H 3.313 0.02 1 118 169 25 PHE HB2 H 2.694 0.02 2 119 169 25 PHE HB3 H 2.601 0.02 2 120 169 25 PHE HD1 H 7.092 0.02 1 121 169 25 PHE HD2 H 7.092 0.02 1 122 169 25 PHE CA C 63.979 0.2 1 123 169 25 PHE CB C 39.851 0.2 1 124 169 25 PHE N N 116.891 0.2 1 125 170 26 ASN H H 8.670 0.02 1 126 170 26 ASN HA H 4.459 0.02 1 127 170 26 ASN HB2 H 2.759 0.02 2 128 170 26 ASN HB3 H 2.497 0.02 2 129 170 26 ASN HD21 H 6.463 0.02 2 130 170 26 ASN HD22 H 7.732 0.02 2 131 170 26 ASN CA C 57.086 0.2 1 132 170 26 ASN CB C 37.223 0.2 1 133 170 26 ASN N N 117.439 0.2 1 134 170 26 ASN ND2 N 112.069 0.2 1 135 171 27 ALA HA H 4.008 0.02 1 136 171 27 ALA HB H 1.346 0.02 1 137 171 27 ALA CA C 55.185 0.2 1 138 171 27 ALA CB C 17.694 0.2 1 139 171 27 ALA N N 121.470 0.2 1 140 172 28 GLN H H 8.066 0.02 1 141 172 28 GLN HA H 3.545 0.02 1 142 172 28 GLN HB2 H 1.208 0.02 2 143 172 28 GLN HB3 H 0.876 0.02 2 144 172 28 GLN HG2 H 1.274 0.02 2 145 172 28 GLN HG3 H 0.603 0.02 2 146 172 28 GLN HE21 H 6.425 0.02 2 147 172 28 GLN CA C 57.914 0.2 1 148 172 28 GLN CB C 27.033 0.2 1 149 172 28 GLN CG C 32.489 0.2 1 150 172 28 GLN N N 116.007 0.2 1 151 172 28 GLN NE2 N 113.510 0.2 1 152 173 29 MET H H 8.285 0.02 1 153 173 29 MET HE H 1.961 0.02 1 154 173 29 MET CE C 17.342 0.2 1 155 173 29 MET N N 117.858 0.2 1 156 174 30 ARG H H 7.561 0.02 1 157 174 30 ARG HA H 4.112 0.02 1 158 174 30 ARG HB2 H 1.908 0.02 2 159 174 30 ARG HB3 H 1.898 0.02 2 160 174 30 ARG HG2 H 1.741 0.02 2 161 174 30 ARG HG3 H 1.546 0.02 2 162 174 30 ARG HD2 H 3.172 0.02 2 163 174 30 ARG HD3 H 3.172 0.02 2 164 174 30 ARG CA C 59.542 0.2 1 165 174 30 ARG CB C 30.038 0.2 1 166 174 30 ARG CG C 27.785 0.2 1 167 174 30 ARG CD C 42.990 0.2 1 168 174 30 ARG N N 119.179 0.2 1 169 175 31 LEU H H 8.636 0.02 1 170 175 31 LEU N N 122.016 0.2 1 171 176 32 GLY H H 7.918 0.02 1 172 176 32 GLY HA2 H 4.205 0.02 2 173 176 32 GLY HA3 H 3.464 0.02 2 174 176 32 GLY CA C 44.905 0.2 1 175 176 32 GLY N N 103.323 0.2 1 176 177 33 GLY H H 7.605 0.02 1 177 177 33 GLY HA2 H 3.937 0.02 2 178 177 33 GLY HA3 H 3.937 0.02 2 179 177 33 GLY CA C 46.239 0.2 1 180 177 33 GLY N N 107.745 0.2 1 181 178 34 LEU H H 8.064 0.02 1 182 178 34 LEU HA H 4.261 0.02 1 183 178 34 LEU HB2 H 1.711 0.02 2 184 178 34 LEU HB3 H 1.435 0.02 2 185 178 34 LEU HG H 1.377 0.02 1 186 178 34 LEU HD1 H 0.585 0.02 4 187 178 34 LEU HD2 H 0.639 0.02 4 188 178 34 LEU CA C 55.169 0.2 1 189 178 34 LEU CB C 42.854 0.2 1 190 178 34 LEU CG C 27.311 0.2 1 191 178 34 LEU CD1 C 22.527 0.2 2 192 178 34 LEU CD2 C 25.756 0.2 2 193 178 34 LEU N N 117.511 0.2 1 194 179 35 THR H H 7.246 0.02 1 195 179 35 THR HA H 4.428 0.02 1 196 179 35 THR HB H 4.074 0.02 1 197 179 35 THR HG2 H 1.109 0.02 1 198 179 35 THR CA C 60.902 0.2 1 199 179 35 THR CB C 69.572 0.2 1 200 179 35 THR CG2 C 22.765 0.2 1 201 179 35 THR N N 108.522 0.2 1 202 180 36 GLN H H 9.171 0.02 1 203 180 36 GLN HA H 4.333 0.02 1 204 180 36 GLN HB2 H 2.142 0.02 2 205 180 36 GLN HB3 H 1.713 0.02 2 206 180 36 GLN HG2 H 2.232 0.02 2 207 180 36 GLN HG3 H 2.232 0.02 2 208 180 36 GLN HE21 H 6.879 0.02 2 209 180 36 GLN HE22 H 7.347 0.02 2 210 180 36 GLN CA C 55.054 0.2 1 211 180 36 GLN CB C 29.782 0.2 1 212 180 36 GLN CG C 33.804 0.2 1 213 180 36 GLN N N 122.652 0.2 1 214 180 36 GLN NE2 N 111.936 0.2 1 215 181 37 ALA H H 7.522 0.02 1 216 181 37 ALA HA H 4.571 0.02 1 217 181 37 ALA HB H 1.253 0.02 1 218 181 37 ALA CA C 50.511 0.2 1 219 181 37 ALA CB C 18.922 0.2 1 220 181 37 ALA N N 122.359 0.2 1 221 183 39 GLY H H 8.604 0.02 1 222 183 39 GLY HA2 H 4.239 0.02 2 223 183 39 GLY HA3 H 3.583 0.02 2 224 183 39 GLY CA C 43.833 0.2 1 225 183 39 GLY N N 111.584 0.2 1 226 184 40 ASN H H 8.218 0.02 1 227 184 40 ASN HA H 4.890 0.02 1 228 184 40 ASN HB2 H 2.583 0.02 2 229 184 40 ASN HB3 H 2.528 0.02 2 230 184 40 ASN HD21 H 6.894 0.02 2 231 184 40 ASN HD22 H 7.551 0.02 2 232 184 40 ASN CA C 50.189 0.2 1 233 184 40 ASN CB C 38.743 0.2 1 234 184 40 ASN N N 117.814 0.2 1 235 184 40 ASN ND2 N 113.208 0.2 1 236 185 41 PRO HA H 4.320 0.02 1 237 185 41 PRO HB2 H 2.359 0.02 2 238 185 41 PRO HB3 H 1.954 0.02 2 239 185 41 PRO HG2 H 2.181 0.02 2 240 185 41 PRO HG3 H 1.999 0.02 2 241 185 41 PRO HD2 H 4.154 0.02 2 242 185 41 PRO HD3 H 3.920 0.02 2 243 185 41 PRO CA C 63.642 0.2 1 244 185 41 PRO CB C 33.003 0.2 1 245 185 41 PRO CG C 28.104 0.2 1 246 185 41 PRO CD C 51.107 0.2 1 247 186 42 VAL H H 8.810 0.02 1 248 186 42 VAL HA H 3.528 0.02 1 249 186 42 VAL HB H 1.789 0.02 1 250 186 42 VAL HG1 H 0.236 0.02 4 251 186 42 VAL HG2 H 0.378 0.02 4 252 186 42 VAL CA C 63.076 0.2 1 253 186 42 VAL CB C 30.485 0.2 1 254 186 42 VAL CG1 C 22.504 0.2 2 255 186 42 VAL CG2 C 23.053 0.2 2 256 186 42 VAL N N 118.303 0.2 1 257 187 43 LEU H H 8.833 0.02 1 258 187 43 LEU HA H 4.181 0.02 1 259 187 43 LEU HB2 H 1.353 0.02 2 260 187 43 LEU HB3 H 1.307 0.02 2 261 187 43 LEU HG H 1.334 0.02 1 262 187 43 LEU HD1 H 0.739 0.02 4 263 187 43 LEU HD2 H 0.727 0.02 4 264 187 43 LEU CA C 54.994 0.2 1 265 187 43 LEU CB C 44.066 0.2 1 266 187 43 LEU CG C 26.611 0.2 1 267 187 43 LEU CD1 C 22.846 0.2 2 268 187 43 LEU CD2 C 25.589 0.2 2 269 187 43 LEU N N 125.618 0.2 1 270 188 44 ALA H H 7.529 0.02 1 271 188 44 ALA HA H 4.395 0.02 1 272 188 44 ALA HB H 1.209 0.02 1 273 188 44 ALA CA C 51.850 0.2 1 274 188 44 ALA CB C 21.969 0.2 1 275 188 44 ALA N N 119.038 0.2 1 276 189 45 VAL H H 8.564 0.02 1 277 189 45 VAL HA H 4.670 0.02 1 278 189 45 VAL HB H 1.717 0.02 1 279 189 45 VAL HG1 H 0.725 0.02 4 280 189 45 VAL HG2 H 0.676 0.02 4 281 189 45 VAL CA C 60.630 0.2 1 282 189 45 VAL CB C 35.681 0.2 1 283 189 45 VAL CG1 C 21.798 0.2 2 284 189 45 VAL CG2 C 22.123 0.2 2 285 189 45 VAL N N 119.034 0.2 1 286 190 46 GLN H H 8.599 0.02 1 287 190 46 GLN HA H 4.760 0.02 1 288 190 46 GLN HB2 H 2.000 0.02 2 289 190 46 GLN HB3 H 1.990 0.02 2 290 190 46 GLN HG2 H 2.237 0.02 2 291 190 46 GLN HG3 H 2.193 0.02 2 292 190 46 GLN CA C 54.350 0.2 1 293 190 46 GLN CB C 31.034 0.2 1 294 190 46 GLN CG C 33.889 0.2 1 295 190 46 GLN N N 125.093 0.2 1 296 191 47 ILE H H 9.435 0.02 1 297 191 47 ILE HA H 4.002 0.02 1 298 191 47 ILE HB H 1.565 0.02 1 299 191 47 ILE HG12 H 1.324 0.02 4 300 191 47 ILE HG13 H 0.599 0.02 4 301 191 47 ILE HG2 H 0.524 0.02 4 302 191 47 ILE HD1 H 0.497 0.02 4 303 191 47 ILE CA C 61.077 0.2 1 304 191 47 ILE CB C 40.177 0.2 1 305 191 47 ILE CG1 C 29.128 0.2 1 306 191 47 ILE CG2 C 16.952 0.2 1 307 191 47 ILE CD1 C 13.651 0.2 1 308 191 47 ILE N N 127.046 0.2 1 309 192 48 ASN H H 8.660 0.02 1 310 192 48 ASN HA H 4.539 0.02 1 311 192 48 ASN HB2 H 1.650 0.02 2 312 192 48 ASN HB3 H 1.580 0.02 2 313 192 48 ASN CA C 52.061 0.2 1 314 192 48 ASN CB C 38.491 0.2 1 315 192 48 ASN N N 127.609 0.2 1 316 193 49 GLN H H 8.621 0.02 1 317 193 49 GLN HA H 3.880 0.02 1 318 193 49 GLN HB2 H 2.022 0.02 2 319 193 49 GLN HB3 H 1.867 0.02 2 320 193 49 GLN HG2 H 2.290 0.02 2 321 193 49 GLN HG3 H 2.253 0.02 2 322 193 49 GLN HE21 H 6.771 0.02 2 323 193 49 GLN HE22 H 7.476 0.02 2 324 193 49 GLN CA C 57.902 0.2 1 325 193 49 GLN CB C 28.407 0.2 1 326 193 49 GLN CG C 33.328 0.2 1 327 193 49 GLN N N 123.183 0.2 1 328 193 49 GLN NE2 N 112.260 0.2 1 329 196 52 ASN HA H 4.231 0.02 1 330 196 52 ASN HB2 H 3.040 0.02 2 331 196 52 ASN HB3 H 2.717 0.02 2 332 196 52 ASN HD21 H 6.696 0.02 2 333 196 52 ASN HD22 H 7.571 0.02 2 334 196 52 ASN CA C 54.904 0.2 1 335 196 52 ASN CB C 37.945 0.2 1 336 196 52 ASN ND2 N 111.904 0.2 1 337 197 53 PHE H H 7.580 0.02 1 338 197 53 PHE HA H 5.349 0.02 1 339 197 53 PHE CA C 55.957 0.2 1 340 197 53 PHE N N 113.216 0.2 1 341 198 54 ALA H H 9.306 0.02 1 342 198 54 ALA HB H 0.913 0.02 1 343 198 54 ALA CB C 24.190 0.2 1 344 198 54 ALA N N 121.817 0.2 1 345 199 55 PHE H H 8.672 0.02 1 346 199 55 PHE HA H 5.461 0.02 1 347 199 55 PHE HB2 H 2.837 0.02 2 348 199 55 PHE HB3 H 2.673 0.02 2 349 199 55 PHE CA C 56.855 0.2 1 350 199 55 PHE CB C 43.059 0.2 1 351 199 55 PHE N N 116.307 0.2 1 352 200 56 LEU H H 8.817 0.02 1 353 200 56 LEU HA H 4.573 0.02 1 354 200 56 LEU HB2 H 1.318 0.02 2 355 200 56 LEU HB3 H 0.866 0.02 2 356 200 56 LEU HG H 1.221 0.02 1 357 200 56 LEU HD1 H -0.055 0.02 4 358 200 56 LEU HD2 H 0.125 0.02 4 359 200 56 LEU CA C 53.616 0.2 1 360 200 56 LEU CB C 45.766 0.2 1 361 200 56 LEU CG C 28.345 0.2 1 362 200 56 LEU CD1 C 24.132 0.2 2 363 200 56 LEU CD2 C 24.056 0.2 2 364 200 56 LEU N N 122.839 0.2 1 365 201 57 GLU H H 8.342 0.02 1 366 201 57 GLU HA H 5.263 0.02 1 367 201 57 GLU HB2 H 1.831 0.02 2 368 201 57 GLU HB3 H 1.760 0.02 2 369 201 57 GLU HG2 H 2.170 0.02 2 370 201 57 GLU HG3 H 1.968 0.02 2 371 201 57 GLU CA C 54.890 0.2 1 372 201 57 GLU CB C 32.175 0.2 1 373 201 57 GLU CG C 36.492 0.2 1 374 201 57 GLU N N 120.887 0.2 1 375 202 58 PHE H H 9.506 0.02 1 376 202 58 PHE HA H 5.330 0.02 1 377 202 58 PHE HB2 H 3.440 0.02 2 378 202 58 PHE HB3 H 2.748 0.02 2 379 202 58 PHE HD1 H 6.891 0.02 1 380 202 58 PHE HD2 H 6.891 0.02 1 381 202 58 PHE HZ H 6.526 0.02 1 382 202 58 PHE CA C 56.373 0.2 1 383 202 58 PHE CB C 44.058 0.2 1 384 202 58 PHE N N 124.913 0.2 1 385 203 59 ARG H H 8.915 0.02 1 386 203 59 ARG N N 114.868 0.2 1 387 204 60 SER H H 7.266 0.02 1 388 204 60 SER HA H 4.974 0.02 1 389 204 60 SER HB2 H 4.158 0.02 2 390 204 60 SER HB3 H 3.832 0.02 2 391 204 60 SER CA C 56.030 0.2 1 392 204 60 SER CB C 66.846 0.2 1 393 204 60 SER N N 110.419 0.2 1 394 205 61 VAL HA H 3.752 0.02 1 395 205 61 VAL HB H 2.008 0.02 1 396 205 61 VAL HG1 H 1.005 0.02 4 397 205 61 VAL HG2 H 0.996 0.02 4 398 205 61 VAL CB C 32.367 0.2 1 399 205 61 VAL CG1 C 21.286 0.2 2 400 205 61 VAL CG2 C 22.259 0.2 2 401 206 62 ASP H H 8.734 0.02 1 402 206 62 ASP N N 119.781 0.2 1 403 207 63 GLU H H 7.738 0.02 1 404 207 63 GLU HA H 3.649 0.02 1 405 207 63 GLU HB2 H 2.059 0.02 2 406 207 63 GLU HB3 H 1.793 0.02 2 407 207 63 GLU HG2 H 2.226 0.02 2 408 207 63 GLU HG3 H 2.225 0.02 2 409 207 63 GLU CA C 59.625 0.2 1 410 207 63 GLU CB C 29.753 0.2 1 411 207 63 GLU CG C 38.968 0.2 1 412 207 63 GLU N N 116.747 0.2 1 413 208 64 THR H H 6.652 0.02 1 414 208 64 THR HA H 1.947 0.02 1 415 208 64 THR HB H 4.201 0.02 1 416 208 64 THR HG2 H 0.541 0.02 1 417 208 64 THR CA C 66.054 0.2 1 418 208 64 THR CB C 67.350 0.2 1 419 208 64 THR CG2 C 20.354 0.2 1 420 208 64 THR N N 115.766 0.2 1 421 209 65 THR H H 7.261 0.02 1 422 209 65 THR HA H 3.459 0.02 1 423 209 65 THR HB H 4.145 0.02 1 424 209 65 THR HG2 H 0.989 0.02 1 425 209 65 THR CA C 65.564 0.2 1 426 209 65 THR CB C 68.277 0.2 1 427 209 65 THR CG2 C 22.635 0.2 1 428 209 65 THR N N 115.699 0.2 1 429 210 66 GLN H H 7.681 0.02 1 430 210 66 GLN N N 118.043 0.2 1 431 211 67 ALA H H 7.362 0.02 1 432 211 67 ALA HA H 3.640 0.02 1 433 211 67 ALA HB H 1.308 0.02 1 434 211 67 ALA CA C 53.958 0.2 1 435 211 67 ALA CB C 19.276 0.2 1 436 211 67 ALA N N 119.559 0.2 1 437 212 68 MET H H 7.184 0.02 1 438 212 68 MET HA H 3.967 0.02 1 439 212 68 MET HB2 H 2.052 0.02 2 440 212 68 MET HB3 H 2.031 0.02 2 441 212 68 MET HG2 H 2.656 0.02 2 442 212 68 MET HG3 H 2.236 0.02 2 443 212 68 MET HE H 2.000 0.02 1 444 212 68 MET CA C 57.908 0.2 1 445 212 68 MET CB C 31.007 0.2 1 446 212 68 MET CG C 32.629 0.2 1 447 212 68 MET CE C 16.311 0.2 1 448 212 68 MET N N 115.798 0.2 1 449 213 69 ALA H H 7.431 0.02 1 450 213 69 ALA HA H 4.119 0.02 1 451 213 69 ALA HB H 1.186 0.02 1 452 213 69 ALA CA C 53.640 0.2 1 453 213 69 ALA CB C 18.584 0.2 1 454 213 69 ALA N N 120.437 0.2 1 455 214 70 PHE H H 7.601 0.02 1 456 214 70 PHE HA H 4.801 0.02 1 457 214 70 PHE HB2 H 3.436 0.02 2 458 214 70 PHE HB3 H 3.161 0.02 2 459 214 70 PHE HD1 H 7.107 0.02 1 460 214 70 PHE HD2 H 7.107 0.02 1 461 214 70 PHE HE1 H 6.808 0.02 1 462 214 70 PHE HE2 H 6.808 0.02 1 463 214 70 PHE CA C 55.848 0.2 1 464 214 70 PHE CB C 37.801 0.2 1 465 214 70 PHE N N 114.964 0.2 1 466 215 71 ASP H H 7.342 0.02 1 467 215 71 ASP HA H 4.227 0.02 1 468 215 71 ASP HB2 H 2.922 0.02 2 469 215 71 ASP HB3 H 2.621 0.02 2 470 215 71 ASP CA C 58.069 0.2 1 471 215 71 ASP CB C 41.219 0.2 1 472 215 71 ASP N N 119.325 0.2 1 473 216 72 GLY H H 9.278 0.02 1 474 216 72 GLY N N 117.221 0.2 1 475 217 73 ILE H H 8.558 0.02 1 476 217 73 ILE HA H 3.972 0.02 1 477 217 73 ILE HB H 2.096 0.02 1 478 217 73 ILE HG12 H 1.596 0.02 2 479 217 73 ILE HG13 H 1.223 0.02 2 480 217 73 ILE HG2 H 0.960 0.02 1 481 217 73 ILE HD1 H 0.430 0.02 1 482 217 73 ILE CA C 62.513 0.2 1 483 217 73 ILE CB C 37.923 0.2 1 484 217 73 ILE CG1 C 29.572 0.2 1 485 217 73 ILE CG2 C 17.162 0.2 1 486 217 73 ILE CD1 C 14.367 0.2 1 487 217 73 ILE N N 124.047 0.2 1 488 218 74 ILE H H 7.813 0.02 1 489 218 74 ILE HA H 4.474 0.02 1 490 218 74 ILE HB H 1.775 0.02 1 491 218 74 ILE HG12 H 1.489 0.02 2 492 218 74 ILE HG13 H 1.124 0.02 2 493 218 74 ILE HD1 H 0.640 0.02 1 494 218 74 ILE CA C 59.298 0.2 1 495 218 74 ILE CB C 36.232 0.2 1 496 218 74 ILE CG1 C 27.457 0.2 1 497 218 74 ILE CG2 C 20.582 0.2 1 498 218 74 ILE CD1 C 11.020 0.2 1 499 218 74 ILE N N 124.811 0.2 1 500 219 75 PHE H H 9.011 0.02 1 501 219 75 PHE HA H 4.532 0.02 1 502 219 75 PHE HB2 H 2.407 0.02 2 503 219 75 PHE HB3 H 2.222 0.02 2 504 219 75 PHE HD1 H 6.266 0.02 1 505 219 75 PHE HD2 H 6.266 0.02 1 506 219 75 PHE HE1 H 6.845 0.02 1 507 219 75 PHE HE2 H 6.845 0.02 1 508 219 75 PHE HZ H 6.714 0.02 1 509 219 75 PHE CA C 54.192 0.2 1 510 219 75 PHE CB C 41.427 0.2 1 511 219 75 PHE N N 129.073 0.2 1 512 220 76 GLN H H 8.825 0.02 1 513 220 76 GLN HA H 3.423 0.02 1 514 220 76 GLN HB2 H 1.770 0.02 2 515 220 76 GLN HB3 H 1.185 0.02 2 516 220 76 GLN HG2 H 1.433 0.02 2 517 220 76 GLN HG3 H 1.138 0.02 2 518 220 76 GLN HE21 H 6.441 0.02 2 519 220 76 GLN HE22 H 6.597 0.02 2 520 220 76 GLN CA C 56.065 0.2 1 521 220 76 GLN CB C 25.703 0.2 1 522 220 76 GLN CG C 32.940 0.2 1 523 220 76 GLN N N 125.078 0.2 1 524 220 76 GLN NE2 N 109.731 0.2 1 525 221 77 GLY H H 7.769 0.02 1 526 221 77 GLY HA2 H 4.028 0.02 2 527 221 77 GLY HA3 H 3.349 0.02 2 528 221 77 GLY CA C 45.376 0.2 1 529 221 77 GLY N N 101.889 0.2 1 530 222 78 GLN H H 7.596 0.02 1 531 222 78 GLN HA H 4.479 0.02 1 532 222 78 GLN HB2 H 2.155 0.02 2 533 222 78 GLN HB3 H 1.886 0.02 2 534 222 78 GLN HG2 H 2.074 0.02 2 535 222 78 GLN HG3 H 2.000 0.02 2 536 222 78 GLN CA C 53.554 0.2 1 537 222 78 GLN CB C 31.363 0.2 1 538 222 78 GLN CG C 33.832 0.2 1 539 222 78 GLN N N 118.546 0.2 1 540 223 79 SER H H 8.462 0.02 1 541 223 79 SER N N 116.798 0.2 1 542 224 80 LEU H H 9.056 0.02 1 543 224 80 LEU N N 129.739 0.2 1 544 225 81 LYS H H 7.642 0.02 1 545 225 81 LYS N N 123.316 0.2 1 546 226 82 ILE H H 9.074 0.02 1 547 226 82 ILE HA H 5.248 0.02 1 548 226 82 ILE HB H 1.567 0.02 1 549 226 82 ILE HG12 H 1.637 0.02 2 550 226 82 ILE HG13 H 1.191 0.02 2 551 226 82 ILE HG2 H 1.326 0.02 1 552 226 82 ILE HD1 H 0.955 0.02 1 553 226 82 ILE CA C 60.417 0.2 1 554 226 82 ILE CB C 39.382 0.2 1 555 226 82 ILE CG1 C 28.371 0.2 1 556 226 82 ILE CG2 C 19.371 0.2 1 557 226 82 ILE CD1 C 13.897 0.2 1 558 226 82 ILE N N 127.450 0.2 1 559 227 83 ARG H H 9.470 0.02 1 560 227 83 ARG N N 122.963 0.2 1 561 228 84 ARG H H 9.276 0.02 1 562 228 84 ARG N N 117.574 0.2 1 563 230 86 HIS HD2 H 7.113 0.02 1 564 232 88 TYR H H 7.487 0.02 1 565 232 88 TYR N N 120.010 0.2 1 566 233 89 GLN H H 7.628 0.02 1 567 233 89 GLN HE21 H 6.288 0.02 2 568 233 89 GLN HE22 H 8.010 0.02 2 569 233 89 GLN N N 125.623 0.2 1 570 233 89 GLN NE2 N 112.262 0.2 1 571 235 91 LEU H H 7.761 0.02 1 572 235 91 LEU N N 123.913 0.2 1 573 237 93 GLY H H 8.560 0.02 1 574 237 93 GLY N N 108.655 0.2 1 575 238 94 MET H H 8.026 0.02 1 576 238 94 MET N N 119.712 0.2 1 577 239 95 SER H H 8.278 0.02 1 578 239 95 SER N N 116.807 0.2 1 579 240 96 GLU H H 9.291 0.02 1 580 240 96 GLU N N 118.697 0.2 1 581 241 97 ASN H H 7.214 0.02 1 582 241 97 ASN N N 121.955 0.2 1 583 243 99 SER H H 8.287 0.02 1 584 243 99 SER HA H 4.468 0.02 1 585 243 99 SER HB2 H 3.773 0.02 2 586 243 99 SER HB3 H 3.783 0.02 2 587 243 99 SER CA C 58.259 0.2 1 588 243 99 SER CB C 63.590 0.2 1 589 243 99 SER N N 115.933 0.2 1 590 244 100 VAL H H 7.209 0.02 1 591 244 100 VAL N N 121.473 0.2 1 592 245 101 TYR H H 8.142 0.02 1 593 245 101 TYR HA H 4.556 0.02 1 594 245 101 TYR HB2 H 2.963 0.02 2 595 245 101 TYR HB3 H 2.763 0.02 2 596 245 101 TYR HD1 H 7.019 0.02 1 597 245 101 TYR HD2 H 7.019 0.02 1 598 245 101 TYR HE1 H 6.732 0.02 1 599 245 101 TYR HE2 H 6.732 0.02 1 600 245 101 TYR CA C 58.085 0.2 1 601 245 101 TYR CB C 38.868 0.2 1 602 245 101 TYR N N 124.214 0.2 1 603 246 102 VAL H H 8.033 0.02 1 604 246 102 VAL N N 128.355 0.2 1 605 248 104 GLY H H 8.335 0.02 1 606 248 104 GLY N N 109.924 0.2 1 607 250 106 VAL H H 8.532 0.02 1 608 250 106 VAL N N 128.552 0.2 1 609 251 107 SER H H 7.756 0.02 1 610 251 107 SER N N 123.621 0.2 1 611 252 108 THR H H 7.949 0.02 1 612 252 108 THR N N 113.533 0.2 1 613 253 109 VAL H H 7.209 0.02 1 614 253 109 VAL N N 121.166 0.2 1 615 254 110 VAL H H 8.524 0.02 1 616 254 110 VAL N N 128.827 0.2 1 617 258 114 ALA HA H 4.093 0.02 1 618 258 114 ALA HB H 1.031 0.02 1 619 258 114 ALA CA C 53.867 0.2 1 620 258 114 ALA CB C 18.168 0.2 1 621 259 115 HIS HB2 H 3.545 0.02 2 622 259 115 HIS HB3 H 2.766 0.02 2 623 259 115 HIS HD2 H 7.021 0.02 1 624 259 115 HIS CB C 31.098 0.2 1 625 260 116 LYS H H 7.035 0.02 1 626 260 116 LYS N N 122.657 0.2 1 627 261 117 LEU H H 9.749 0.02 1 628 261 117 LEU HA H 4.844 0.02 1 629 261 117 LEU HB2 H 2.122 0.02 2 630 261 117 LEU HB3 H 1.149 0.02 2 631 261 117 LEU HG H 1.886 0.02 1 632 261 117 LEU HD1 H 0.632 0.02 4 633 261 117 LEU HD2 H 0.857 0.02 4 634 261 117 LEU CA C 54.463 0.2 1 635 261 117 LEU CB C 44.880 0.2 1 636 261 117 LEU CG C 26.346 0.2 1 637 261 117 LEU CD1 C 24.441 0.2 2 638 261 117 LEU CD2 C 25.697 0.2 2 639 261 117 LEU N N 130.231 0.2 1 640 262 118 PHE H H 9.079 0.02 1 641 262 118 PHE HA H 4.334 0.02 1 642 262 118 PHE CA C 56.560 0.2 1 643 262 118 PHE N N 121.275 0.2 1 644 263 119 ILE H H 7.846 0.02 1 645 263 119 ILE HA H 4.496 0.02 1 646 263 119 ILE HB H 1.389 0.02 1 647 263 119 ILE HG12 H 1.223 0.02 2 648 263 119 ILE HG13 H 0.949 0.02 2 649 263 119 ILE HG2 H 0.518 0.02 1 650 263 119 ILE HD1 H 0.610 0.02 1 651 263 119 ILE CA C 59.201 0.2 1 652 263 119 ILE CB C 39.293 0.2 1 653 263 119 ILE CG1 C 28.318 0.2 1 654 263 119 ILE CG2 C 19.322 0.2 1 655 263 119 ILE CD1 C 16.043 0.2 1 656 263 119 ILE N N 126.497 0.2 1 657 264 120 GLY H H 9.161 0.02 1 658 264 120 GLY HA2 H 4.443 0.02 2 659 264 120 GLY HA3 H 3.342 0.02 2 660 264 120 GLY CA C 43.431 0.2 1 661 264 120 GLY N N 111.640 0.2 1 662 265 121 GLY H H 8.594 0.02 1 663 265 121 GLY N N 108.284 0.2 1 664 266 122 LEU H H 7.521 0.02 1 665 266 122 LEU HA H 3.821 0.02 1 666 266 122 LEU HB2 H 0.929 0.02 2 667 266 122 LEU HB3 H 0.846 0.02 2 668 266 122 LEU HG H 1.089 0.02 1 669 266 122 LEU HD1 H 0.386 0.02 4 670 266 122 LEU HD2 H 0.492 0.02 4 671 266 122 LEU CA C 52.337 0.2 1 672 266 122 LEU CB C 42.262 0.2 1 673 266 122 LEU CG C 26.322 0.2 1 674 266 122 LEU CD1 C 26.641 0.2 2 675 266 122 LEU CD2 C 24.124 0.2 2 676 266 122 LEU N N 116.285 0.2 1 677 267 123 PRO HA H 4.125 0.02 1 678 267 123 PRO HB2 H 0.759 0.02 2 679 267 123 PRO HD2 H 3.781 0.02 2 680 267 123 PRO HD3 H 3.111 0.02 2 681 267 123 PRO CA C 62.495 0.2 1 682 267 123 PRO CB C 31.792 0.2 1 683 267 123 PRO CD C 49.982 0.2 1 684 268 124 ASN HA H 3.913 0.02 1 685 268 124 ASN HB2 H 3.002 0.02 2 686 268 124 ASN HB3 H 2.747 0.02 2 687 268 124 ASN HD21 H 7.471 0.02 2 688 268 124 ASN HD22 H 6.818 0.02 2 689 268 124 ASN CA C 55.254 0.2 1 690 268 124 ASN CB C 37.355 0.2 1 691 268 124 ASN ND2 N 110.181 0.2 1 692 269 125 TYR H H 6.493 0.02 1 693 269 125 TYR HA H 4.513 0.02 1 694 269 125 TYR HB2 H 3.347 0.02 2 695 269 125 TYR HB3 H 2.759 0.02 2 696 269 125 TYR HD1 H 6.976 0.02 1 697 269 125 TYR HD2 H 6.976 0.02 1 698 269 125 TYR HE1 H 6.768 0.02 1 699 269 125 TYR HE2 H 6.768 0.02 1 700 269 125 TYR CA C 55.416 0.2 1 701 269 125 TYR CB C 37.024 0.2 1 702 269 125 TYR N N 110.976 0.2 1 703 270 126 LEU H H 6.458 0.02 1 704 270 126 LEU HA H 4.537 0.02 1 705 270 126 LEU HB2 H 1.400 0.02 2 706 270 126 LEU HB3 H 1.128 0.02 2 707 270 126 LEU HG H 1.046 0.02 1 708 270 126 LEU HD1 H 0.677 0.02 4 709 270 126 LEU HD2 H 0.608 0.02 4 710 270 126 LEU CA C 54.343 0.2 1 711 270 126 LEU CB C 42.350 0.2 1 712 270 126 LEU CG C 26.917 0.2 1 713 270 126 LEU CD1 C 22.959 0.2 2 714 270 126 LEU CD2 C 26.331 0.2 2 715 270 126 LEU N N 122.190 0.2 1 716 271 127 ASN H H 8.767 0.02 1 717 271 127 ASN HA H 4.661 0.02 1 718 271 127 ASN HB2 H 3.285 0.02 2 719 271 127 ASN HB3 H 2.882 0.02 2 720 271 127 ASN HD21 H 7.168 0.02 2 721 271 127 ASN CA C 50.931 0.2 1 722 271 127 ASN CB C 39.351 0.2 1 723 271 127 ASN N N 122.931 0.2 1 724 271 127 ASN ND2 N 110.868 0.2 1 725 272 128 ASP H H 8.542 0.02 1 726 272 128 ASP HA H 3.966 0.02 1 727 272 128 ASP HB2 H 2.673 0.02 2 728 272 128 ASP HB3 H 2.527 0.02 2 729 272 128 ASP CA C 58.577 0.2 1 730 272 128 ASP CB C 41.062 0.2 1 731 272 128 ASP N N 115.278 0.2 1 732 273 129 ASP H H 7.855 0.02 1 733 273 129 ASP HA H 4.074 0.02 1 734 273 129 ASP HB2 H 2.585 0.02 2 735 273 129 ASP HB3 H 2.519 0.02 2 736 273 129 ASP CA C 57.512 0.2 1 737 273 129 ASP CB C 40.377 0.2 1 738 273 129 ASP N N 116.964 0.2 1 739 274 130 GLN H H 8.243 0.02 1 740 274 130 GLN N N 120.165 0.2 1 741 275 131 VAL H H 8.256 0.02 1 742 275 131 VAL HA H 3.411 0.02 1 743 275 131 VAL HB H 2.014 0.02 1 744 275 131 VAL HG1 H 0.809 0.02 4 745 275 131 VAL HG2 H 0.909 0.02 4 746 275 131 VAL CA C 66.865 0.2 1 747 275 131 VAL CB C 31.744 0.2 1 748 275 131 VAL CG1 C 22.540 0.2 2 749 275 131 VAL CG2 C 24.563 0.2 2 750 275 131 VAL N N 120.485 0.2 1 751 276 132 LYS H H 8.178 0.02 1 752 276 132 LYS HA H 3.076 0.02 1 753 276 132 LYS HB2 H 1.403 0.02 2 754 276 132 LYS HB3 H 1.367 0.02 2 755 276 132 LYS HG2 H 0.429 0.02 2 756 276 132 LYS HG3 H 0.149 0.02 2 757 276 132 LYS HD2 H 1.256 0.02 2 758 276 132 LYS HD3 H 1.256 0.02 2 759 276 132 LYS HE2 H 2.529 0.02 2 760 276 132 LYS HE3 H 2.489 0.02 2 761 276 132 LYS CA C 61.152 0.2 1 762 276 132 LYS CB C 31.491 0.2 1 763 276 132 LYS CG C 25.213 0.2 1 764 276 132 LYS CD C 29.360 0.2 1 765 276 132 LYS CE C 41.491 0.2 1 766 276 132 LYS N N 119.025 0.2 1 767 277 133 GLU H H 7.836 0.02 1 768 277 133 GLU HA H 3.786 0.02 1 769 277 133 GLU HB2 H 1.986 0.02 2 770 277 133 GLU HB3 H 1.900 0.02 2 771 277 133 GLU HG2 H 2.187 0.02 2 772 277 133 GLU HG3 H 2.069 0.02 2 773 277 133 GLU CA C 59.373 0.2 1 774 277 133 GLU CB C 29.343 0.2 1 775 277 133 GLU CG C 36.279 0.2 1 776 277 133 GLU N N 119.263 0.2 1 777 278 134 LEU H H 7.074 0.02 1 778 278 134 LEU N N 118.860 0.2 1 779 279 135 LEU H H 7.559 0.02 1 780 279 135 LEU HA H 4.024 0.02 1 781 279 135 LEU HB2 H 1.505 0.02 2 782 279 135 LEU HB3 H 1.456 0.02 2 783 279 135 LEU CA C 57.520 0.2 1 784 279 135 LEU CB C 41.643 0.2 1 785 279 135 LEU N N 116.368 0.2 1 786 280 136 THR H H 8.933 0.02 1 787 280 136 THR HA H 4.991 0.02 1 788 280 136 THR HB H 4.260 0.02 1 789 280 136 THR HG2 H 1.225 0.02 1 790 280 136 THR CA C 63.845 0.2 1 791 280 136 THR CB C 68.788 0.2 1 792 280 136 THR CG2 C 21.818 0.2 1 793 280 136 THR N N 113.267 0.2 1 794 281 137 SER H H 7.217 0.02 1 795 281 137 SER HA H 4.002 0.02 1 796 281 137 SER HB2 H 3.541 0.02 2 797 281 137 SER HB3 H 3.468 0.02 2 798 281 137 SER CA C 61.062 0.2 1 799 281 137 SER CB C 62.312 0.2 1 800 281 137 SER N N 117.789 0.2 1 801 282 138 PHE H H 7.147 0.02 1 802 282 138 PHE HA H 4.126 0.02 1 803 282 138 PHE HB2 H 2.876 0.02 2 804 282 138 PHE HB3 H 2.587 0.02 2 805 282 138 PHE HD1 H 7.171 0.02 1 806 282 138 PHE HD2 H 7.171 0.02 1 807 282 138 PHE CA C 59.647 0.2 1 808 282 138 PHE CB C 39.216 0.2 1 809 282 138 PHE N N 116.333 0.2 1 810 283 139 GLY H H 7.213 0.02 1 811 283 139 GLY HA2 H 4.348 0.02 2 812 283 139 GLY HA3 H 3.918 0.02 2 813 283 139 GLY CA C 44.468 0.2 1 814 283 139 GLY N N 108.262 0.2 1 815 284 140 PRO HA H 4.443 0.02 1 816 284 140 PRO HB2 H 2.260 0.02 2 817 284 140 PRO HB3 H 1.785 0.02 2 818 284 140 PRO HG2 H 1.986 0.02 2 819 284 140 PRO HG3 H 1.909 0.02 2 820 284 140 PRO HD2 H 3.739 0.02 2 821 284 140 PRO HD3 H 3.540 0.02 2 822 284 140 PRO CA C 62.826 0.2 1 823 284 140 PRO CB C 32.565 0.2 1 824 284 140 PRO CG C 27.722 0.2 1 825 284 140 PRO CD C 49.634 0.2 1 826 285 141 LEU H H 8.695 0.02 1 827 285 141 LEU HA H 4.279 0.02 1 828 285 141 LEU HB2 H 1.553 0.02 2 829 285 141 LEU HB3 H 1.051 0.02 2 830 285 141 LEU HG H 1.504 0.02 1 831 285 141 LEU HD1 H 0.095 0.02 4 832 285 141 LEU HD2 H 0.581 0.02 4 833 285 141 LEU CA C 54.058 0.2 1 834 285 141 LEU CB C 44.227 0.2 1 835 285 141 LEU CG C 25.608 0.2 1 836 285 141 LEU CD1 C 23.047 0.2 2 837 285 141 LEU CD2 C 26.683 0.2 2 838 285 141 LEU N N 121.667 0.2 1 839 286 142 LYS H H 9.306 0.02 1 840 286 142 LYS N N 118.386 0.2 1 841 287 143 ALA H H 7.667 0.02 1 842 287 143 ALA HA H 4.537 0.02 1 843 287 143 ALA HB H 1.268 0.02 1 844 287 143 ALA CA C 51.828 0.2 1 845 287 143 ALA CB C 23.548 0.2 1 846 287 143 ALA N N 119.867 0.2 1 847 288 144 PHE H H 9.294 0.02 1 848 288 144 PHE HA H 5.071 0.02 1 849 288 144 PHE HB2 H 2.540 0.02 2 850 288 144 PHE CA C 58.084 0.2 1 851 288 144 PHE CB C 42.993 0.2 1 852 288 144 PHE N N 118.050 0.2 1 853 289 145 ASN H H 8.170 0.02 1 854 289 145 ASN N N 123.463 0.2 1 855 290 146 LEU H H 8.423 0.02 1 856 290 146 LEU HA H 4.228 0.02 1 857 290 146 LEU HB2 H 1.862 0.02 2 858 290 146 LEU HB3 H 1.145 0.02 2 859 290 146 LEU HG H 1.152 0.02 1 860 290 146 LEU HD1 H 0.726 0.02 4 861 290 146 LEU HD2 H 0.761 0.02 4 862 290 146 LEU CA C 53.286 0.2 1 863 290 146 LEU CB C 44.250 0.2 1 864 290 146 LEU CG C 27.324 0.2 1 865 290 146 LEU CD1 C 24.046 0.2 2 866 290 146 LEU CD2 C 26.042 0.2 2 867 290 146 LEU N N 126.669 0.2 1 868 291 147 VAL H H 7.972 0.02 1 869 291 147 VAL HA H 3.731 0.02 1 870 291 147 VAL HB H 1.091 0.02 1 871 291 147 VAL HG1 H 0.811 0.02 4 872 291 147 VAL HG2 H 1.007 0.02 4 873 291 147 VAL CA C 64.647 0.2 1 874 291 147 VAL CB C 30.584 0.2 1 875 291 147 VAL CG1 C 21.596 0.2 2 876 291 147 VAL CG2 C 22.911 0.2 2 877 291 147 VAL N N 130.188 0.2 1 878 292 148 LYS H H 8.490 0.02 1 879 292 148 LYS N N 126.152 0.2 1 880 293 149 ASP H H 8.615 0.02 1 881 293 149 ASP HA H 4.523 0.02 1 882 293 149 ASP HB2 H 3.079 0.02 2 883 293 149 ASP HB3 H 2.266 0.02 2 884 293 149 ASP CA C 53.596 0.2 1 885 293 149 ASP CB C 42.520 0.2 1 886 293 149 ASP N N 121.736 0.2 1 887 294 150 SER H H 9.013 0.02 1 888 294 150 SER HA H 4.045 0.02 1 889 294 150 SER HB2 H 3.913 0.02 2 890 294 150 SER HB3 H 3.886 0.02 2 891 294 150 SER CA C 60.823 0.2 1 892 294 150 SER CB C 62.850 0.2 1 893 294 150 SER N N 123.949 0.2 1 894 295 151 ALA H H 8.491 0.02 1 895 295 151 ALA HA H 4.323 0.02 1 896 295 151 ALA HB H 1.465 0.02 1 897 295 151 ALA CA C 54.068 0.2 1 898 295 151 ALA CB C 19.348 0.2 1 899 295 151 ALA N N 122.997 0.2 1 900 296 152 THR HA H 4.353 0.02 1 901 296 152 THR HB H 4.229 0.02 1 902 296 152 THR HG2 H 1.122 0.02 1 903 296 152 THR CA C 61.424 0.2 1 904 296 152 THR CB C 71.143 0.2 1 905 296 152 THR CG2 C 21.018 0.2 1 906 296 152 THR N N 109.761 0.2 1 907 297 153 GLY H H 8.391 0.02 1 908 297 153 GLY N N 111.312 0.2 1 909 298 154 LEU H H 7.703 0.02 1 910 298 154 LEU HB2 H 1.577 0.02 2 911 298 154 LEU HB3 H 1.467 0.02 2 912 298 154 LEU HG H 1.507 0.02 1 913 298 154 LEU HD1 H 0.780 0.02 4 914 298 154 LEU HD2 H 0.818 0.02 4 915 298 154 LEU CB C 42.710 0.2 1 916 298 154 LEU CG C 26.714 0.2 1 917 298 154 LEU CD1 C 23.208 0.2 2 918 298 154 LEU CD2 C 24.688 0.2 2 919 298 154 LEU N N 120.436 0.2 1 920 299 155 SER H H 8.432 0.02 1 921 299 155 SER HA H 4.373 0.02 1 922 299 155 SER HB2 H 3.958 0.02 2 923 299 155 SER HB3 H 3.888 0.02 2 924 299 155 SER CA C 57.652 0.2 1 925 299 155 SER CB C 64.152 0.2 1 926 299 155 SER N N 115.525 0.2 1 927 300 156 LYS H H 9.333 0.02 1 928 300 156 LYS N N 123.672 0.2 1 929 301 157 GLY H H 8.745 0.02 1 930 301 157 GLY HA2 H 4.157 0.02 2 931 301 157 GLY HA3 H 3.291 0.02 2 932 301 157 GLY CA C 45.412 0.2 1 933 301 157 GLY N N 105.710 0.2 1 934 302 158 TYR H H 6.654 0.02 1 935 302 158 TYR HA H 5.306 0.02 1 936 302 158 TYR HB2 H 2.916 0.02 2 937 302 158 TYR HB3 H 2.577 0.02 2 938 302 158 TYR HD1 H 6.665 0.02 1 939 302 158 TYR HD2 H 6.665 0.02 1 940 302 158 TYR HE1 H 6.840 0.02 1 941 302 158 TYR HE2 H 6.840 0.02 1 942 302 158 TYR CA C 55.172 0.2 1 943 302 158 TYR CB C 41.023 0.2 1 944 302 158 TYR N N 112.310 0.2 1 945 303 159 ALA H H 8.682 0.02 1 946 303 159 ALA HA H 4.823 0.02 1 947 303 159 ALA HB H 0.942 0.02 1 948 303 159 ALA CA C 49.130 0.2 1 949 303 159 ALA CB C 25.267 0.2 1 950 303 159 ALA N N 120.886 0.2 1 951 304 160 PHE H H 8.228 0.02 1 952 304 160 PHE HA H 5.638 0.02 1 953 304 160 PHE HB2 H 2.952 0.02 2 954 304 160 PHE HB3 H 2.747 0.02 2 955 304 160 PHE HD1 H 6.994 0.02 1 956 304 160 PHE HD2 H 6.994 0.02 1 957 304 160 PHE CA C 55.086 0.2 1 958 304 160 PHE CB C 43.089 0.2 1 959 304 160 PHE N N 113.622 0.2 1 960 305 161 CYS H H 8.660 0.02 1 961 305 161 CYS HA H 5.186 0.02 1 962 305 161 CYS HB2 H 3.236 0.02 2 963 305 161 CYS HB3 H 2.733 0.02 2 964 305 161 CYS CA C 56.825 0.2 1 965 305 161 CYS CB C 32.440 0.2 1 966 305 161 CYS N N 112.677 0.2 1 967 306 162 GLU H H 8.058 0.02 1 968 306 162 GLU HA H 4.413 0.02 1 969 306 162 GLU HG2 H 2.143 0.02 2 970 306 162 GLU CA C 56.396 0.2 1 971 306 162 GLU CG C 36.281 0.2 1 972 306 162 GLU N N 118.566 0.2 1 973 307 163 TYR H H 9.292 0.02 1 974 307 163 TYR HA H 4.355 0.02 1 975 307 163 TYR HB2 H 3.176 0.02 2 976 307 163 TYR HB3 H 2.272 0.02 2 977 307 163 TYR HD1 H 6.882 0.02 1 978 307 163 TYR HD2 H 6.882 0.02 1 979 307 163 TYR CA C 61.288 0.2 1 980 307 163 TYR CB C 39.376 0.2 1 981 307 163 TYR N N 128.689 0.2 1 982 308 164 VAL H H 8.026 0.02 1 983 308 164 VAL HA H 3.311 0.02 1 984 308 164 VAL HB H 1.889 0.02 1 985 308 164 VAL HG1 H 0.850 0.02 4 986 308 164 VAL HG2 H 0.734 0.02 4 987 308 164 VAL CA C 66.856 0.2 1 988 308 164 VAL CB C 32.535 0.2 1 989 308 164 VAL CG1 C 21.125 0.2 2 990 308 164 VAL CG2 C 22.661 0.2 2 991 308 164 VAL N N 119.701 0.2 1 992 309 165 ASP H H 8.629 0.02 1 993 309 165 ASP HB2 H 2.911 0.02 2 994 309 165 ASP HB3 H 2.499 0.02 2 995 309 165 ASP CB C 41.305 0.2 1 996 309 165 ASP N N 117.674 0.2 1 997 310 166 ILE H H 8.071 0.02 1 998 310 166 ILE HA H 3.635 0.02 1 999 310 166 ILE HB H 1.289 0.02 1 1000 310 166 ILE HG12 H 1.165 0.02 2 1001 310 166 ILE HG13 H 0.938 0.02 2 1002 310 166 ILE HG2 H 0.737 0.02 1 1003 310 166 ILE HD1 H 0.575 0.02 1 1004 310 166 ILE CA C 64.156 0.2 1 1005 310 166 ILE CB C 37.833 0.2 1 1006 310 166 ILE CG1 C 26.176 0.2 1 1007 310 166 ILE CG2 C 18.749 0.2 1 1008 310 166 ILE CD1 C 13.914 0.2 1 1009 310 166 ILE N N 119.759 0.2 1 1010 311 167 ASN H H 8.599 0.02 1 1011 311 167 ASN HA H 4.433 0.02 1 1012 311 167 ASN HB2 H 2.848 0.02 2 1013 311 167 ASN HB3 H 2.660 0.02 2 1014 311 167 ASN HD21 H 6.881 0.02 2 1015 311 167 ASN HD22 H 7.939 0.02 2 1016 311 167 ASN CA C 55.392 0.2 1 1017 311 167 ASN CB C 37.848 0.2 1 1018 311 167 ASN N N 119.845 0.2 1 1019 311 167 ASN ND2 N 115.091 0.2 1 1020 312 168 VAL H H 7.763 0.02 1 1021 312 168 VAL HA H 3.829 0.02 1 1022 312 168 VAL HB H 1.893 0.02 1 1023 312 168 VAL HG1 H 0.253 0.02 4 1024 312 168 VAL HG2 H 0.780 0.02 4 1025 312 168 VAL CA C 63.586 0.2 1 1026 312 168 VAL CB C 32.236 0.2 1 1027 312 168 VAL CG1 C 21.536 0.2 2 1028 312 168 VAL CG2 C 22.147 0.2 2 1029 312 168 VAL N N 118.495 0.2 1 1030 313 169 THR H H 7.223 0.02 1 1031 313 169 THR HA H 3.426 0.02 1 1032 313 169 THR HB H 4.208 0.02 1 1033 313 169 THR HG2 H 1.327 0.02 1 1034 313 169 THR CA C 67.720 0.2 1 1035 313 169 THR CB C 69.000 0.2 1 1036 313 169 THR CG2 C 22.228 0.2 1 1037 313 169 THR N N 116.603 0.2 1 1038 314 170 ASP H H 8.219 0.02 1 1039 314 170 ASP HA H 4.370 0.02 1 1040 314 170 ASP HB2 H 2.574 0.02 2 1041 314 170 ASP HB3 H 2.518 0.02 2 1042 314 170 ASP CA C 58.070 0.2 1 1043 314 170 ASP CB C 40.380 0.2 1 1044 314 170 ASP N N 116.946 0.2 1 1045 315 171 GLN H H 7.460 0.02 1 1046 315 171 GLN HA H 3.968 0.02 1 1047 315 171 GLN HB2 H 2.153 0.02 2 1048 315 171 GLN HB3 H 2.061 0.02 2 1049 315 171 GLN HG2 H 2.374 0.02 2 1050 315 171 GLN HG3 H 2.324 0.02 2 1051 315 171 GLN CA C 58.412 0.2 1 1052 315 171 GLN CB C 28.095 0.2 1 1053 315 171 GLN CG C 33.971 0.2 1 1054 315 171 GLN N N 121.388 0.2 1 1055 316 172 ALA H H 7.925 0.02 1 1056 316 172 ALA HA H 2.285 0.02 1 1057 316 172 ALA HB H 0.887 0.02 1 1058 316 172 ALA CA C 54.329 0.2 1 1059 316 172 ALA CB C 18.042 0.2 1 1060 316 172 ALA N N 124.891 0.2 1 1061 317 173 ILE H H 7.642 0.02 1 1062 317 173 ILE HA H 3.185 0.02 1 1063 317 173 ILE HB H 1.644 0.02 1 1064 317 173 ILE HG12 H 1.803 0.02 2 1065 317 173 ILE HG13 H 0.542 0.02 2 1066 317 173 ILE HG2 H 0.885 0.02 4 1067 317 173 ILE HD1 H 0.874 0.02 4 1068 317 173 ILE CA C 66.484 0.2 1 1069 317 173 ILE CB C 38.444 0.2 1 1070 317 173 ILE CG1 C 30.250 0.2 1 1071 317 173 ILE CG2 C 17.120 0.2 1 1072 317 173 ILE CD1 C 14.340 0.2 1 1073 317 173 ILE N N 116.360 0.2 1 1074 318 174 ALA H H 7.448 0.02 1 1075 318 174 ALA HA H 3.988 0.02 1 1076 318 174 ALA HB H 1.359 0.02 1 1077 318 174 ALA CA C 54.730 0.2 1 1078 318 174 ALA CB C 17.993 0.2 1 1079 318 174 ALA N N 118.243 0.2 1 1080 319 175 GLY HA2 H 4.065 0.02 2 1081 319 175 GLY HA3 H 3.637 0.02 2 1082 319 175 GLY CA C 46.056 0.2 1 1083 319 175 GLY N N 105.633 0.2 1 1084 320 176 LEU H H 7.948 0.02 1 1085 320 176 LEU HA H 4.535 0.02 1 1086 320 176 LEU HB2 H 1.655 0.02 2 1087 320 176 LEU HB3 H 1.243 0.02 2 1088 320 176 LEU HG H 1.633 0.02 1 1089 320 176 LEU HD1 H 0.882 0.02 4 1090 320 176 LEU HD2 H 0.694 0.02 4 1091 320 176 LEU CA C 55.624 0.2 1 1092 320 176 LEU CB C 45.840 0.2 1 1093 320 176 LEU CG C 26.574 0.2 1 1094 320 176 LEU CD1 C 24.558 0.2 2 1095 320 176 LEU N N 118.829 0.2 1 1096 321 177 ASN H H 8.478 0.02 1 1097 321 177 ASN HA H 4.146 0.02 1 1098 321 177 ASN HB2 H 3.061 0.02 2 1099 321 177 ASN HB3 H 2.865 0.02 2 1100 321 177 ASN HD21 H 6.891 0.02 2 1101 321 177 ASN HD22 H 7.543 0.02 2 1102 321 177 ASN CA C 56.680 0.2 1 1103 321 177 ASN CB C 38.808 0.2 1 1104 321 177 ASN N N 116.201 0.2 1 1105 321 177 ASN ND2 N 113.728 0.2 1 1106 322 178 GLY H H 8.845 0.02 1 1107 322 178 GLY HA2 H 4.155 0.02 2 1108 322 178 GLY HA3 H 3.491 0.02 2 1109 322 178 GLY CA C 45.506 0.2 1 1110 322 178 GLY N N 117.159 0.2 1 1111 323 179 MET H H 7.881 0.02 1 1112 323 179 MET HA H 3.999 0.02 1 1113 323 179 MET HB2 H 2.151 0.02 2 1114 323 179 MET HB3 H 1.952 0.02 2 1115 323 179 MET HG3 H 2.301 0.02 2 1116 323 179 MET CA C 56.572 0.2 1 1117 323 179 MET CB C 33.999 0.2 1 1118 323 179 MET CG C 31.884 0.2 1 1119 323 179 MET N N 122.062 0.2 1 1120 324 180 GLN H H 8.571 0.02 1 1121 324 180 GLN HA H 4.601 0.02 1 1122 324 180 GLN HB2 H 1.986 0.02 2 1123 324 180 GLN HB3 H 1.898 0.02 2 1124 324 180 GLN HG2 H 2.224 0.02 2 1125 324 180 GLN CA C 55.390 0.2 1 1126 324 180 GLN CB C 28.993 0.2 1 1127 324 180 GLN CG C 33.765 0.2 1 1128 324 180 GLN N N 126.451 0.2 1 1129 325 181 LEU H H 8.565 0.02 1 1130 325 181 LEU HA H 4.525 0.02 1 1131 325 181 LEU HB2 H 1.452 0.02 2 1132 325 181 LEU HB3 H 1.251 0.02 2 1133 325 181 LEU HG H 1.349 0.02 1 1134 325 181 LEU HD1 H 0.772 0.02 1 1135 325 181 LEU HD2 H 0.771 0.02 1 1136 325 181 LEU CA C 54.003 0.2 1 1137 325 181 LEU CB C 43.475 0.2 1 1138 325 181 LEU CG C 27.253 0.2 1 1139 325 181 LEU CD1 C 25.104 0.2 2 1140 325 181 LEU CD2 C 25.268 0.2 2 1141 325 181 LEU N N 130.555 0.2 1 1142 326 182 GLY H H 8.756 0.02 1 1143 326 182 GLY HA2 H 3.957 0.02 2 1144 326 182 GLY HA3 H 3.625 0.02 2 1145 326 182 GLY CA C 46.935 0.2 1 1146 326 182 GLY N N 114.269 0.2 1 1147 327 183 ASP H H 8.674 0.02 1 1148 327 183 ASP HA H 4.545 0.02 1 1149 327 183 ASP HB2 H 2.713 0.02 2 1150 327 183 ASP HB3 H 2.642 0.02 2 1151 327 183 ASP CA C 54.342 0.2 1 1152 327 183 ASP CB C 40.600 0.2 1 1153 327 183 ASP N N 126.101 0.2 1 1154 328 184 LYS H H 7.820 0.02 1 1155 328 184 LYS HA H 4.506 0.02 1 1156 328 184 LYS HB2 H 2.042 0.02 2 1157 328 184 LYS HB3 H 1.859 0.02 2 1158 328 184 LYS HG2 H 1.458 0.02 2 1159 328 184 LYS HG3 H 1.364 0.02 2 1160 328 184 LYS HD2 H 1.345 0.02 2 1161 328 184 LYS HD3 H 1.182 0.02 2 1162 328 184 LYS HE2 H 2.879 0.02 2 1163 328 184 LYS HE3 H 2.819 0.02 2 1164 328 184 LYS CA C 54.612 0.2 1 1165 328 184 LYS CB C 34.703 0.2 1 1166 328 184 LYS CG C 24.752 0.2 1 1167 328 184 LYS CD C 28.394 0.2 1 1168 328 184 LYS CE C 41.769 0.2 1 1169 328 184 LYS N N 120.459 0.2 1 1170 329 185 LYS H H 7.890 0.02 1 1171 329 185 LYS HA H 4.792 0.02 1 1172 329 185 LYS HB2 H 1.475 0.02 2 1173 329 185 LYS HB3 H 1.389 0.02 2 1174 329 185 LYS HG2 H 1.592 0.02 2 1175 329 185 LYS HG3 H 1.539 0.02 2 1176 329 185 LYS HD2 H 1.198 0.02 2 1177 329 185 LYS HD3 H 1.078 0.02 2 1178 329 185 LYS HE2 H 2.912 0.02 2 1179 329 185 LYS HE3 H 2.874 0.02 2 1180 329 185 LYS CA C 54.409 0.2 1 1181 329 185 LYS CB C 34.767 0.2 1 1182 329 185 LYS CG C 24.910 0.2 1 1183 329 185 LYS CD C 29.471 0.2 1 1184 329 185 LYS CE C 41.907 0.2 1 1185 329 185 LYS N N 119.750 0.2 1 1186 330 186 LEU H H 8.648 0.02 1 1187 330 186 LEU HA H 4.519 0.02 1 1188 330 186 LEU HB2 H 2.004 0.02 2 1189 330 186 LEU HB3 H 1.115 0.02 2 1190 330 186 LEU HG H 1.653 0.02 1 1191 330 186 LEU HD1 H 0.534 0.02 4 1192 330 186 LEU HD2 H 0.713 0.02 4 1193 330 186 LEU CA C 55.220 0.2 1 1194 330 186 LEU CB C 42.842 0.2 1 1195 330 186 LEU CG C 26.714 0.2 1 1196 330 186 LEU CD1 C 23.295 0.2 2 1197 330 186 LEU CD2 C 25.590 0.2 2 1198 330 186 LEU N N 123.373 0.2 1 1199 331 187 LEU H H 8.355 0.02 1 1200 331 187 LEU HA H 4.910 0.02 1 1201 331 187 LEU HB2 H 1.553 0.02 2 1202 331 187 LEU HB3 H 1.382 0.02 2 1203 331 187 LEU HG H 1.269 0.02 1 1204 331 187 LEU HD1 H 0.863 0.02 4 1205 331 187 LEU HD2 H 0.852 0.02 4 1206 331 187 LEU CA C 53.617 0.2 1 1207 331 187 LEU CB C 44.243 0.2 1 1208 331 187 LEU CG C 28.310 0.2 1 1209 331 187 LEU CD1 C 23.292 0.2 2 1210 331 187 LEU CD2 C 25.487 0.2 2 1211 331 187 LEU N N 127.402 0.2 1 1212 332 188 VAL H H 8.507 0.02 1 1213 332 188 VAL HA H 5.224 0.02 1 1214 332 188 VAL HB H 1.665 0.02 1 1215 332 188 VAL HG1 H 0.752 0.02 4 1216 332 188 VAL HG2 H 0.804 0.02 4 1217 332 188 VAL CA C 60.735 0.2 1 1218 332 188 VAL CB C 34.206 0.2 1 1219 332 188 VAL CG1 C 21.977 0.2 2 1220 332 188 VAL CG2 C 22.492 0.2 2 1221 332 188 VAL N N 125.213 0.2 1 1222 333 189 GLN H H 8.639 0.02 1 1223 333 189 GLN HA H 4.372 0.02 1 1224 333 189 GLN HB2 H 1.841 0.02 2 1225 333 189 GLN HB3 H 1.602 0.02 2 1226 333 189 GLN HG2 H 2.109 0.02 2 1227 333 189 GLN HG3 H 2.109 0.02 2 1228 333 189 GLN CA C 52.078 0.2 1 1229 333 189 GLN CB C 30.371 0.2 1 1230 333 189 GLN CG C 33.210 0.2 1 1231 333 189 GLN N N 119.485 0.2 1 1232 334 190 ARG H H 9.042 0.02 1 1233 334 190 ARG HA H 4.431 0.02 1 1234 334 190 ARG CA C 58.887 0.2 1 1235 334 190 ARG N N 122.221 0.2 1 1236 335 191 ALA H H 9.217 0.02 1 1237 335 191 ALA HA H 4.371 0.02 1 1238 335 191 ALA HB H 1.569 0.02 1 1239 335 191 ALA CA C 53.354 0.2 1 1240 335 191 ALA CB C 18.502 0.2 1 1241 335 191 ALA N N 125.253 0.2 1 1242 336 192 SER H H 8.502 0.02 1 1243 336 192 SER HA H 4.095 0.02 1 1244 336 192 SER HB2 H 3.857 0.02 2 1245 336 192 SER HB3 H 3.748 0.02 2 1246 336 192 SER CA C 59.427 0.2 1 1247 336 192 SER CB C 62.277 0.2 1 1248 336 192 SER N N 112.259 0.2 1 1249 337 193 VAL H H 7.927 0.02 1 1250 337 193 VAL HA H 3.572 0.02 1 1251 337 193 VAL HB H 1.981 0.02 1 1252 337 193 VAL HG1 H 0.755 0.02 4 1253 337 193 VAL HG2 H 0.984 0.02 4 1254 337 193 VAL CA C 65.620 0.2 1 1255 337 193 VAL CB C 31.840 0.2 1 1256 337 193 VAL CG1 C 20.303 0.2 2 1257 337 193 VAL CG2 C 22.920 0.2 2 1258 337 193 VAL N N 122.859 0.2 1 1259 338 194 GLY H H 6.664 0.02 1 1260 338 194 GLY HA2 H 4.154 0.02 2 1261 338 194 GLY HA3 H 2.966 0.02 2 1262 338 194 GLY CA C 43.960 0.2 1 1263 338 194 GLY N N 104.070 0.2 1 1264 339 195 ALA H H 6.769 0.02 1 1265 339 195 ALA HA H 3.891 0.02 1 1266 339 195 ALA HB H 1.253 0.02 1 1267 339 195 ALA CA C 52.251 0.2 1 1268 339 195 ALA CB C 18.880 0.2 1 1269 339 195 ALA N N 122.960 0.2 1 1270 340 196 LYS H H 8.013 0.02 1 1271 340 196 LYS HA H 4.064 0.02 1 1272 340 196 LYS HB2 H 1.687 0.02 2 1273 340 196 LYS HB3 H 1.610 0.02 2 1274 340 196 LYS HG2 H 1.574 0.02 2 1275 340 196 LYS HG3 H 1.570 0.02 2 1276 340 196 LYS HD2 H 1.325 0.02 2 1277 340 196 LYS HD3 H 1.253 0.02 2 1278 340 196 LYS HE2 H 2.907 0.02 2 1279 340 196 LYS HE3 H 2.857 0.02 2 1280 340 196 LYS CA C 56.424 0.2 1 1281 340 196 LYS CB C 32.859 0.2 1 1282 340 196 LYS CG C 24.682 0.2 1 1283 340 196 LYS CD C 29.032 0.2 1 1284 340 196 LYS CE C 41.776 0.2 1 1285 340 196 LYS N N 121.524 0.2 1 1286 341 197 ASN H H 8.275 0.02 1 1287 341 197 ASN HA H 4.570 0.02 1 1288 341 197 ASN HB2 H 2.674 0.02 2 1289 341 197 ASN HB3 H 2.581 0.02 2 1290 341 197 ASN HD21 H 6.798 0.02 2 1291 341 197 ASN HD22 H 7.492 0.02 2 1292 341 197 ASN CA C 53.036 0.2 1 1293 341 197 ASN CB C 39.187 0.2 1 1294 341 197 ASN N N 119.828 0.2 1 1295 341 197 ASN ND2 N 113.551 0.2 1 1296 342 198 ALA H H 7.688 0.02 1 1297 342 198 ALA HA H 3.984 0.02 1 1298 342 198 ALA HB H 1.201 0.02 1 1299 342 198 ALA CA C 53.727 0.2 1 1300 342 198 ALA CB C 20.107 0.2 1 1301 342 198 ALA N N 126.516 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 186 '186,186,187,187,187' '250,250,250,251,251,251' '262,262,262,263,263,263' '279,279,279,280,280,280' '299,300,301,301,301,302,302,302' '357,357,357,358,358,358' '396,396,396,397,397,397' '632,632,632,633,633,633' '669,669,669,670,670,670' '708,708,708,709,709,709' '744,744,744,745,745,745' '831,831,831,832,832,832' '860,860,860,861,861,861' '871,871,871,872,872,872' '913,913,913,914,914,914' '985,985,985,986,986,986' '1023,1023,1023,1024,1024,1024' '1066,1066,1066,1067,1067,1067' '1089,1089,1089,1090,1090,1090' '1191,1191,1191,1192,1192,1192' '1204,1204,1204,1205,1205,1205' '1215,1215,1215,1216,1216,1216' '1252,1252,1252,1253,1253,1253' stop_ save_