data_17622 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the closed conformation of human U2AF65 tandem RRM1 and RRM2 domains ; _BMRB_accession_number 17622 _BMRB_flat_file_name bmr17622.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" 752 "13C chemical shifts" 497 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-27 update BMRB 'update chemical shifts' 2011-08-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17623 'human U2AF65 uridine binding' stop_ 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 'Solution structure of the closed conformation of human U2AF65 tandem RRM1 and RRM2 domains' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUMAN U2AF65' $HUMAN_U2AF65 stop_ _System_molecular_weight 21491.534 _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 CALCULATION INCLUDED DISTANCE RESTRAINTS BASED ON PARAMAGNETIC RELAXATION ENHANCEMENT DATA FROM SEVEN INDEPENDENT CYSTEINE MUTANTS (N155C, A164C A171C, T209C, D273C, A287C AND A318C) COVALENTLY MODIFIED BY 3-(2-IODOACETAMIDO)-2,2,5,5,TETRAMETHYL-1- PYRROLIDINYLOXY RADICAL (IODOACETAMIDO-PROXYL)' ############################## # 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 17623 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 _Details $HUMAN_U2AF65 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pLysS n/a pETM-11 'In addition to wildtype protein, NMR data also used seven site-directed cysteine mutants (N155C, A164C, A171C, L187C, A188C, T209C, D273C, S281C, A287C and A318C)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'protein 0.2 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HUMAN_U2AF65 0.2 mM '[U-13C; U-15N]' 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 'Final water refinement' 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_ ####################### # 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 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 HB H 1.506 0.02 1 2 149 5 ARG H H 7.696 0.02 1 3 149 5 ARG CB C 30.172 0.2 1 4 149 5 ARG CG C 26.528 0.2 1 5 149 5 ARG CD C 43.115 0.2 1 6 149 5 ARG N N 115.679 0.2 1 7 150 6 ARG H H 6.950 0.02 1 8 150 6 ARG HA H 6.008 0.02 1 9 150 6 ARG HB2 H 1.590 0.02 2 10 150 6 ARG HB3 H 1.590 0.02 2 11 150 6 ARG HG2 H 1.665 0.02 2 12 150 6 ARG HG3 H 1.420 0.02 2 13 150 6 ARG HD2 H 2.746 0.02 2 14 150 6 ARG HD3 H 2.746 0.02 2 15 150 6 ARG CA C 53.653 0.2 1 16 150 6 ARG CB C 35.637 0.2 1 17 150 6 ARG CG C 27.250 0.2 1 18 150 6 ARG CD C 44.024 0.2 1 19 150 6 ARG N N 117.595 0.2 1 20 151 7 LEU H H 8.586 0.02 1 21 151 7 LEU HA H 4.767 0.02 1 22 151 7 LEU HB2 H 1.377 0.02 2 23 151 7 LEU HB3 H 1.377 0.02 2 24 151 7 LEU CA C 53.344 0.2 1 25 151 7 LEU CB C 46.198 0.2 1 26 151 7 LEU N N 118.409 0.2 1 27 152 8 TYR H H 8.690 0.02 1 28 152 8 TYR HB2 H 2.626 0.02 2 29 152 8 TYR HB3 H 2.421 0.02 2 30 152 8 TYR HD1 H 6.418 0.02 1 31 152 8 TYR HD2 H 6.418 0.02 1 32 152 8 TYR HE1 H 5.787 0.02 1 33 152 8 TYR HE2 H 5.787 0.02 1 34 152 8 TYR CB C 39.676 0.2 1 35 152 8 TYR CD1 C 132.498 0.2 1 36 152 8 TYR CD2 C 132.498 0.2 1 37 152 8 TYR CE1 C 117.393 0.2 1 38 152 8 TYR CE2 C 117.393 0.2 1 39 152 8 TYR N N 123.387 0.2 1 40 153 9 VAL H H 8.563 0.02 1 41 153 9 VAL HA H 4.772 0.02 1 42 153 9 VAL HB H 1.627 0.02 1 43 153 9 VAL HG1 H 0.588 0.02 4 44 153 9 VAL HG2 H 0.818 0.02 4 45 153 9 VAL CA C 58.313 0.2 1 46 153 9 VAL CB C 33.152 0.2 1 47 153 9 VAL CG1 C 21.037 0.2 2 48 153 9 VAL CG2 C 23.211 0.2 2 49 153 9 VAL N N 127.241 0.2 1 50 154 10 GLY H H 9.777 0.02 1 51 154 10 GLY HA2 H 4.609 0.02 2 52 154 10 GLY HA3 H 3.718 0.02 2 53 154 10 GLY CA C 41.581 0.2 1 54 154 10 GLY N N 113.752 0.2 1 55 155 11 ASN H H 8.544 0.02 1 56 155 11 ASN HA H 4.338 0.02 1 57 155 11 ASN HB2 H 3.634 0.02 2 58 155 11 ASN HB3 H 2.541 0.02 2 59 155 11 ASN CA C 53.653 0.2 1 60 155 11 ASN CB C 37.501 0.2 1 61 155 11 ASN N N 115.679 0.2 1 62 156 12 ILE H H 6.619 0.02 1 63 156 12 ILE HA H 1.571 0.02 1 64 156 12 ILE HB H 1.573 0.02 1 65 156 12 ILE HG12 H 1.085 0.02 2 66 156 12 ILE HG13 H 0.449 0.02 2 67 156 12 ILE HG2 H 0.653 0.02 1 68 156 12 ILE HD1 H 0.370 0.02 1 69 156 12 ILE CA C 59.555 0.2 1 70 156 12 ILE CB C 36.569 0.2 1 71 156 12 ILE CG1 C 25.386 0.2 1 72 156 12 ILE CG2 C 18.552 0.2 1 73 156 12 ILE CD1 C 14.203 0.2 1 74 156 12 ILE N N 108.292 0.2 1 75 157 13 PRO HA H 4.161 0.02 1 76 157 13 PRO HB2 H 2.102 0.02 2 77 157 13 PRO HB3 H 1.548 0.02 2 78 157 13 PRO HG2 H 1.365 0.02 2 79 157 13 PRO HD2 H 3.540 0.02 2 80 157 13 PRO HD3 H 3.141 0.02 2 81 157 13 PRO CB C 31.266 0.2 1 82 157 13 PRO CG C 27.660 0.2 1 83 157 13 PRO CD C 50.199 0.2 1 84 158 14 PHE H H 8.532 0.02 1 85 158 14 PHE HA H 4.184 0.02 1 86 158 14 PHE HB2 H 3.025 0.02 2 87 158 14 PHE HB3 H 2.782 0.02 2 88 158 14 PHE CA C 59.245 0.2 1 89 158 14 PHE CB C 38.827 0.2 1 90 158 14 PHE N N 123.662 0.2 1 91 159 15 GLY H H 8.045 0.02 1 92 159 15 GLY HA2 H 3.645 0.02 2 93 159 15 GLY HA3 H 3.194 0.02 2 94 159 15 GLY CA C 45.266 0.2 1 95 159 15 GLY N N 114.502 0.2 1 96 160 16 ILE H H 6.854 0.02 1 97 160 16 ILE HA H 4.150 0.02 1 98 160 16 ILE HB H 1.614 0.02 1 99 160 16 ILE HG12 H 1.490 0.02 2 100 160 16 ILE HG13 H 1.224 0.02 2 101 160 16 ILE HG2 H 0.654 0.02 1 102 160 16 ILE HD1 H 0.704 0.02 1 103 160 16 ILE CA C 58.096 0.2 1 104 160 16 ILE CB C 39.136 0.2 1 105 160 16 ILE CG1 C 27.721 0.2 1 106 160 16 ILE CG2 C 19.463 0.2 1 107 160 16 ILE CD1 C 14.483 0.2 1 108 160 16 ILE N N 119.854 0.2 1 109 161 17 THR H H 7.107 0.02 1 110 161 17 THR HA H 4.444 0.02 1 111 161 17 THR HB H 4.636 0.02 1 112 161 17 THR HG2 H 1.189 0.02 1 113 161 17 THR CA C 59.433 0.2 1 114 161 17 THR CB C 71.670 0.2 1 115 161 17 THR CG2 C 21.671 0.2 1 116 161 17 THR N N 112.242 0.2 1 117 162 18 GLU H H 9.205 0.02 1 118 162 18 GLU HA H 3.453 0.02 1 119 162 18 GLU HB2 H 1.965 0.02 2 120 162 18 GLU HB3 H 1.848 0.02 2 121 162 18 GLU HG2 H 2.217 0.02 2 122 162 18 GLU HG3 H 2.217 0.02 2 123 162 18 GLU CA C 60.550 0.2 1 124 162 18 GLU CG C 37.384 0.2 1 125 162 18 GLU N N 121.758 0.2 1 126 163 19 GLU H H 8.771 0.02 1 127 163 19 GLU HA H 3.797 0.02 1 128 163 19 GLU HB2 H 1.954 0.02 2 129 163 19 GLU HB3 H 1.851 0.02 2 130 163 19 GLU HG2 H 2.213 0.02 2 131 163 19 GLU HG3 H 2.213 0.02 2 132 163 19 GLU CA C 59.885 0.2 1 133 163 19 GLU CB C 29.012 0.2 1 134 163 19 GLU CG C 36.653 0.2 1 135 163 19 GLU N N 117.952 0.2 1 136 164 20 ALA H H 7.780 0.02 1 137 164 20 ALA HA H 4.170 0.02 1 138 164 20 ALA HB H 1.432 0.02 1 139 164 20 ALA CA C 54.643 0.2 1 140 164 20 ALA CB C 18.580 0.2 1 141 164 20 ALA N N 120.807 0.2 1 142 165 21 MET H H 7.842 0.02 1 143 165 21 MET HA H 3.978 0.02 1 144 165 21 MET HB2 H 2.120 0.02 2 145 165 21 MET HE H 1.717 0.02 1 146 165 21 MET CA C 58.385 0.2 1 147 165 21 MET CB C 34.480 0.2 1 148 165 21 MET CG C 33.059 0.2 1 149 165 21 MET CE C 17.375 0.2 1 150 165 21 MET N N 117.357 0.2 1 151 166 22 MET H H 8.539 0.02 1 152 166 22 MET HA H 3.490 0.02 1 153 166 22 MET HB2 H 2.084 0.02 2 154 166 22 MET HB3 H 1.944 0.02 2 155 166 22 MET HE H 1.858 0.02 1 156 166 22 MET CA C 60.209 0.2 1 157 166 22 MET CB C 33.198 0.2 1 158 166 22 MET CG C 31.524 0.2 1 159 166 22 MET CE C 16.415 0.2 1 160 166 22 MET N N 120.331 0.2 1 161 167 23 ASP H H 8.619 0.02 1 162 167 23 ASP CB C 40.129 0.2 1 163 167 23 ASP N N 118.427 0.2 1 164 168 24 PHE H H 7.686 0.02 1 165 168 24 PHE HA H 4.166 0.02 1 166 168 24 PHE HB2 H 2.957 0.02 2 167 168 24 PHE HB3 H 2.457 0.02 2 168 168 24 PHE HD1 H 6.306 0.02 1 169 168 24 PHE HD2 H 6.306 0.02 1 170 168 24 PHE HE1 H 6.557 0.02 1 171 168 24 PHE HE2 H 6.557 0.02 1 172 168 24 PHE HZ H 6.749 0.02 1 173 168 24 PHE CA C 61.109 0.2 1 174 168 24 PHE CB C 39.364 0.2 1 175 168 24 PHE CD1 C 131.556 0.2 1 176 168 24 PHE CD2 C 131.556 0.2 1 177 168 24 PHE CE1 C 130.277 0.2 1 178 168 24 PHE CE2 C 130.277 0.2 1 179 168 24 PHE N N 119.498 0.2 1 180 169 25 PHE H H 7.992 0.02 1 181 169 25 PHE HA H 3.328 0.02 1 182 169 25 PHE HB2 H 2.674 0.02 2 183 169 25 PHE HB3 H 2.604 0.02 2 184 169 25 PHE HD1 H 7.126 0.02 1 185 169 25 PHE HD2 H 7.126 0.02 1 186 169 25 PHE HE1 H 7.016 0.02 1 187 169 25 PHE HE2 H 7.016 0.02 1 188 169 25 PHE CA C 63.904 0.2 1 189 169 25 PHE CB C 39.676 0.2 1 190 169 25 PHE CD1 C 131.246 0.2 1 191 169 25 PHE CD2 C 131.246 0.2 1 192 169 25 PHE CE1 C 128.936 0.2 1 193 169 25 PHE CE2 C 128.936 0.2 1 194 169 25 PHE N N 117.193 0.2 1 195 170 26 ASN H H 8.641 0.02 1 196 170 26 ASN HA H 4.430 0.02 1 197 170 26 ASN HB2 H 2.751 0.02 2 198 170 26 ASN HB3 H 2.498 0.02 2 199 170 26 ASN HD21 H 6.452 0.02 2 200 170 26 ASN HD22 H 7.722 0.02 2 201 170 26 ASN CA C 57.071 0.2 1 202 170 26 ASN CB C 38.709 0.2 1 203 170 26 ASN N N 117.606 0.2 1 204 170 26 ASN ND2 N 111.985 0.2 1 205 171 27 ALA H H 7.899 0.02 1 206 171 27 ALA HA H 3.975 0.02 1 207 171 27 ALA HB H 1.329 0.02 1 208 171 27 ALA CA C 55.070 0.2 1 209 171 27 ALA CB C 17.310 0.2 1 210 171 27 ALA N N 121.401 0.2 1 211 172 28 GLN H H 8.006 0.02 1 212 172 28 GLN HA H 3.345 0.02 1 213 172 28 GLN HB2 H 1.302 0.02 2 214 172 28 GLN HB3 H 0.868 0.02 2 215 172 28 GLN HG2 H 1.205 0.02 2 216 172 28 GLN HG3 H 0.599 0.02 2 217 172 28 GLN HE21 H 6.153 0.02 2 218 172 28 GLN HE22 H 6.615 0.02 2 219 172 28 GLN CA C 56.892 0.2 1 220 172 28 GLN CB C 26.817 0.2 1 221 172 28 GLN CG C 32.425 0.2 1 222 172 28 GLN N N 116.161 0.2 1 223 172 28 GLN NE2 N 113.600 0.2 1 224 173 29 MET H H 8.224 0.02 1 225 173 29 MET HA H 4.216 0.02 1 226 173 29 MET HB2 H 2.212 0.02 2 227 173 29 MET HB3 H 1.953 0.02 2 228 173 29 MET HG2 H 2.829 0.02 2 229 173 29 MET HG3 H 2.772 0.02 2 230 173 29 MET HE H 1.945 0.02 1 231 173 29 MET CA C 58.537 0.2 1 232 173 29 MET CB C 31.599 0.2 1 233 173 29 MET CG C 34.069 0.2 1 234 173 29 MET CE C 16.675 0.2 1 235 173 29 MET N N 117.714 0.2 1 236 174 30 ARG H H 7.588 0.02 1 237 174 30 ARG CB C 30.236 0.2 1 238 174 30 ARG CG C 27.367 0.2 1 239 174 30 ARG CD C 43.051 0.2 1 240 174 30 ARG N N 119.141 0.2 1 241 175 31 LEU H H 8.617 0.02 1 242 175 31 LEU HA H 3.994 0.02 1 243 175 31 LEU HB2 H 1.407 0.02 2 244 175 31 LEU HB3 H 1.407 0.02 2 245 175 31 LEU HD1 H 0.760 0.02 4 246 175 31 LEU CA C 57.693 0.2 1 247 175 31 LEU CB C 41.725 0.2 1 248 175 31 LEU CG C 26.711 0.2 1 249 175 31 LEU CD1 C 23.309 0.2 2 250 175 31 LEU CD2 C 24.412 0.2 2 251 175 31 LEU N N 121.877 0.2 1 252 176 32 GLY H H 7.843 0.02 1 253 176 32 GLY HA2 H 4.175 0.02 2 254 176 32 GLY HA3 H 3.518 0.02 2 255 176 32 GLY CA C 44.645 0.2 1 256 176 32 GLY N N 103.320 0.2 1 257 177 33 GLY H H 7.637 0.02 1 258 177 33 GLY HA2 H 3.922 0.02 2 259 177 33 GLY HA3 H 3.922 0.02 2 260 177 33 GLY CA C 46.185 0.2 1 261 177 33 GLY N N 108.292 0.2 1 262 178 34 LEU H H 8.035 0.02 1 263 178 34 LEU HA H 4.230 0.02 1 264 178 34 LEU HD1 H 0.562 0.02 4 265 178 34 LEU HD2 H 0.601 0.02 4 266 178 34 LEU CA C 54.896 0.2 1 267 178 34 LEU CB C 42.242 0.2 1 268 178 34 LEU CD1 C 22.569 0.2 2 269 178 34 LEU CD2 C 25.675 0.2 2 270 178 34 LEU N N 117.606 0.2 1 271 179 35 THR H H 7.316 0.02 1 272 179 35 THR HA H 4.422 0.02 1 273 179 35 THR HB H 4.071 0.02 1 274 179 35 THR CA C 60.813 0.2 1 275 179 35 THR CB C 69.583 0.2 1 276 179 35 THR CG2 C 22.487 0.2 1 277 179 35 THR N N 108.911 0.2 1 278 180 36 GLN H H 9.170 0.02 1 279 180 36 GLN HA H 4.291 0.02 1 280 180 36 GLN HB2 H 2.110 0.02 2 281 180 36 GLN HB3 H 1.674 0.02 2 282 180 36 GLN HE21 H 6.718 0.02 2 283 180 36 GLN HE22 H 7.354 0.02 2 284 180 36 GLN CA C 55.278 0.2 1 285 180 36 GLN CB C 30.034 0.2 1 286 180 36 GLN CG C 33.889 0.2 1 287 180 36 GLN N N 122.234 0.2 1 288 180 36 GLN NE2 N 112.123 0.2 1 289 181 37 ALA H H 7.545 0.02 1 290 181 37 ALA HA H 4.534 0.02 1 291 181 37 ALA HB H 1.219 0.02 1 292 181 37 ALA CA C 50.236 0.2 1 293 181 37 ALA CB C 18.552 0.2 1 294 181 37 ALA N N 122.353 0.2 1 295 182 38 PRO HA H 4.253 0.02 1 296 182 38 PRO HB2 H 1.783 0.02 2 297 182 38 PRO HB3 H 1.704 0.02 2 298 182 38 PRO HD2 H 3.552 0.02 2 299 182 38 PRO HD3 H 3.552 0.02 2 300 182 38 PRO CA C 61.916 0.2 1 301 182 38 PRO CB C 32.208 0.2 1 302 182 38 PRO CG C 27.427 0.2 1 303 182 38 PRO CD C 50.526 0.2 1 304 183 39 GLY H H 8.578 0.02 1 305 183 39 GLY HA2 H 4.194 0.02 2 306 183 39 GLY HA3 H 3.576 0.02 2 307 183 39 GLY CA C 44.081 0.2 1 308 183 39 GLY N N 111.409 0.2 1 309 184 40 ASN H H 8.208 0.02 1 310 184 40 ASN HA H 4.866 0.02 1 311 184 40 ASN HB2 H 2.566 0.02 2 312 184 40 ASN HB3 H 2.566 0.02 2 313 184 40 ASN HD21 H 6.877 0.02 2 314 184 40 ASN HD22 H 7.558 0.02 2 315 184 40 ASN CA C 51.043 0.2 1 316 184 40 ASN CB C 38.900 0.2 1 317 184 40 ASN N N 117.714 0.2 1 318 184 40 ASN ND2 N 112.718 0.2 1 319 185 41 PRO HA H 4.424 0.02 1 320 185 41 PRO HG2 H 1.969 0.02 2 321 185 41 PRO HG3 H 1.969 0.02 2 322 185 41 PRO HD2 H 4.136 0.02 2 323 185 41 PRO HD3 H 3.885 0.02 2 324 185 41 PRO CA C 62.539 0.2 1 325 185 41 PRO CB C 32.748 0.2 1 326 185 41 PRO CG C 27.691 0.2 1 327 185 41 PRO CD C 50.962 0.2 1 328 186 42 VAL H H 8.760 0.02 1 329 186 42 VAL HA H 3.508 0.02 1 330 186 42 VAL HB H 1.770 0.02 1 331 186 42 VAL HG1 H 0.202 0.02 4 332 186 42 VAL HG2 H 0.353 0.02 4 333 186 42 VAL CA C 62.662 0.2 1 334 186 42 VAL CB C 30.977 0.2 1 335 186 42 VAL CG1 C 23.625 0.2 2 336 186 42 VAL CG2 C 23.625 0.2 2 337 186 42 VAL N N 118.071 0.2 1 338 187 43 LEU H H 8.809 0.02 1 339 187 43 LEU HA H 4.159 0.02 1 340 187 43 LEU HB2 H 1.285 0.02 2 341 187 43 LEU HB3 H 1.285 0.02 2 342 187 43 LEU HG H 1.294 0.02 1 343 187 43 LEU HD1 H 0.704 0.02 4 344 187 43 LEU HD2 H 0.689 0.02 4 345 187 43 LEU CA C 54.731 0.2 1 346 187 43 LEU CB C 43.713 0.2 1 347 187 43 LEU CG C 26.629 0.2 1 348 187 43 LEU CD1 C 22.590 0.2 2 349 187 43 LEU CD2 C 25.075 0.2 2 350 187 43 LEU N N 125.635 0.2 1 351 188 44 ALA H H 7.490 0.02 1 352 188 44 ALA HA H 4.371 0.02 1 353 188 44 ALA HB H 1.176 0.02 1 354 188 44 ALA CA C 51.790 0.2 1 355 188 44 ALA CB C 21.658 0.2 1 356 188 44 ALA N N 118.676 0.2 1 357 189 45 VAL H H 8.494 0.02 1 358 189 45 VAL HA H 4.670 0.02 1 359 189 45 VAL HB H 1.682 0.02 1 360 189 45 VAL HG1 H 0.677 0.02 4 361 189 45 VAL HG2 H 0.707 0.02 4 362 189 45 VAL CA C 60.177 0.2 1 363 189 45 VAL CB C 35.326 0.2 1 364 189 45 VAL CG1 C 21.658 0.2 2 365 189 45 VAL N N 119.212 0.2 1 366 190 46 GLN H H 8.542 0.02 1 367 190 46 GLN HA H 4.753 0.02 1 368 190 46 GLN HB2 H 1.954 0.02 2 369 190 46 GLN HG2 H 2.191 0.02 2 370 190 46 GLN HG3 H 2.191 0.02 2 371 190 46 GLN CA C 53.965 0.2 1 372 190 46 GLN CB C 30.667 0.2 1 373 190 46 GLN CG C 33.462 0.2 1 374 190 46 GLN N N 124.672 0.2 1 375 191 47 ILE H H 9.422 0.02 1 376 191 47 ILE HA H 3.973 0.02 1 377 191 47 ILE HB H 1.266 0.02 1 378 191 47 ILE HG12 H 1.371 0.02 2 379 191 47 ILE HG13 H 0.847 0.02 2 380 191 47 ILE HG2 H 0.587 0.02 1 381 191 47 ILE HD1 H 0.474 0.02 1 382 191 47 ILE CA C 61.419 0.2 1 383 191 47 ILE CB C 39.675 0.2 1 384 191 47 ILE CG1 C 29.113 0.2 1 385 191 47 ILE CG2 C 16.688 0.2 1 386 191 47 ILE CD1 C 13.582 0.2 1 387 191 47 ILE N N 127.081 0.2 1 388 192 48 ASN H H 8.583 0.02 1 389 192 48 ASN N N 127.402 0.2 1 390 193 49 GLN HE21 H 6.801 0.02 2 391 193 49 GLN HE22 H 7.455 0.02 2 392 193 49 GLN NE2 N 112.306 0.2 1 393 196 52 ASN HD21 H 6.702 0.02 2 394 196 52 ASN HD22 H 7.639 0.02 2 395 196 52 ASN ND2 N 111.664 0.2 1 396 197 53 PHE H H 8.015 0.02 1 397 197 53 PHE HA H 5.249 0.02 1 398 197 53 PHE HB2 H 2.705 0.02 2 399 197 53 PHE HB3 H 2.404 0.02 2 400 197 53 PHE HD1 H 6.582 0.02 1 401 197 53 PHE HD2 H 6.582 0.02 1 402 197 53 PHE CA C 55.828 0.2 1 403 197 53 PHE CB C 41.539 0.2 1 404 197 53 PHE CD1 C 132.392 0.2 1 405 197 53 PHE CD2 C 132.392 0.2 1 406 197 53 PHE N N 113.752 0.2 1 407 198 54 ALA H H 9.184 0.02 1 408 198 54 ALA HA H 5.065 0.02 1 409 198 54 ALA HB H 0.903 0.02 1 410 198 54 ALA CA C 48.683 0.2 1 411 198 54 ALA CB C 24.311 0.2 1 412 198 54 ALA N N 117.159 0.2 1 413 199 55 PHE H H 8.683 0.02 1 414 199 55 PHE HA H 5.678 0.02 1 415 199 55 PHE HB2 H 2.779 0.02 2 416 199 55 PHE HD1 H 7.161 0.02 1 417 199 55 PHE HD2 H 7.161 0.02 1 418 199 55 PHE HE1 H 7.376 0.02 1 419 199 55 PHE HE2 H 7.376 0.02 1 420 199 55 PHE CA C 56.449 0.2 1 421 199 55 PHE CB C 42.160 0.2 1 422 199 55 PHE CD1 C 131.262 0.2 1 423 199 55 PHE CD2 C 131.262 0.2 1 424 199 55 PHE N N 115.691 0.2 1 425 200 56 LEU H H 8.924 0.02 1 426 200 56 LEU HA H 4.575 0.02 1 427 200 56 LEU HB2 H 1.329 0.02 2 428 200 56 LEU HB3 H 0.909 0.02 2 429 200 56 LEU HG H 1.216 0.02 1 430 200 56 LEU HD1 H -0.032 0.02 2 431 200 56 LEU HD1 H 0.112 0.02 2 432 200 56 LEU HD2 H 0.128 0.02 4 433 200 56 LEU CA C 53.343 0.2 1 434 200 56 LEU CB C 45.266 0.2 1 435 200 56 LEU CG C 27.250 0.2 1 436 200 56 LEU CD1 C 24.143 0.2 2 437 200 56 LEU CD2 C 23.972 0.2 2 438 200 56 LEU N N 123.227 0.2 1 439 201 57 GLU H H 8.586 0.02 1 440 201 57 GLU HA H 5.217 0.02 1 441 201 57 GLU HB2 H 1.797 0.02 2 442 201 57 GLU HB3 H 1.722 0.02 2 443 201 57 GLU HG2 H 2.103 0.02 2 444 201 57 GLU HG3 H 1.942 0.02 2 445 201 57 GLU CA C 54.585 0.2 1 446 201 57 GLU CB C 31.288 0.2 1 447 201 57 GLU CG C 35.981 0.2 1 448 201 57 GLU N N 121.139 0.2 1 449 202 58 PHE H H 9.374 0.02 1 450 202 58 PHE HA H 5.277 0.02 1 451 202 58 PHE HB2 H 3.421 0.02 2 452 202 58 PHE HB3 H 2.740 0.02 2 453 202 58 PHE HD1 H 6.896 0.02 1 454 202 58 PHE HD2 H 6.896 0.02 1 455 202 58 PHE HE1 H 6.808 0.02 1 456 202 58 PHE HE2 H 6.808 0.02 1 457 202 58 PHE HZ H 6.515 0.02 1 458 202 58 PHE CA C 56.138 0.2 1 459 202 58 PHE CB C 43.795 0.2 1 460 202 58 PHE CD1 C 130.876 0.2 1 461 202 58 PHE CD2 C 130.876 0.2 1 462 202 58 PHE CE1 C 132.075 0.2 1 463 202 58 PHE CE2 C 132.075 0.2 1 464 202 58 PHE CZ C 128.166 0.2 1 465 202 58 PHE N N 124.256 0.2 1 466 203 59 ARG H H 8.935 0.02 1 467 203 59 ARG HA H 4.312 0.02 1 468 203 59 ARG HB2 H 2.132 0.02 2 469 203 59 ARG CB C 30.229 0.2 1 470 203 59 ARG CG C 25.158 0.2 1 471 203 59 ARG CD C 43.566 0.2 1 472 203 59 ARG N N 115.216 0.2 1 473 204 60 SER H H 7.281 0.02 1 474 204 60 SER HA H 4.957 0.02 1 475 204 60 SER HB2 H 4.148 0.02 2 476 204 60 SER HB3 H 3.801 0.02 2 477 204 60 SER CA C 55.828 0.2 1 478 204 60 SER CB C 66.700 0.2 1 479 204 60 SER N N 110.101 0.2 1 480 205 61 VAL HA H 3.688 0.02 1 481 205 61 VAL HB H 2.004 0.02 1 482 205 61 VAL HG1 H 0.969 0.02 4 483 205 61 VAL HG2 H 0.973 0.02 4 484 205 61 VAL CA C 65.768 0.2 1 485 205 61 VAL CB C 32.220 0.2 1 486 205 61 VAL CG1 C 22.186 0.2 2 487 205 61 VAL CG2 C 21.969 0.2 2 488 206 62 ASP H H 8.724 0.02 1 489 206 62 ASP CB C 40.171 0.2 1 490 206 62 ASP N N 120.450 0.2 1 491 207 63 GLU H H 7.788 0.02 1 492 207 63 GLU HA H 3.628 0.02 1 493 207 63 GLU CA C 59.556 0.2 1 494 207 63 GLU CG C 38.618 0.2 1 495 207 63 GLU N N 117.000 0.2 1 496 208 64 THR H H 6.701 0.02 1 497 208 64 THR HA H 1.969 0.02 1 498 208 64 THR HB H 4.192 0.02 1 499 208 64 THR HG2 H 0.538 0.02 1 500 208 64 THR CA C 66.079 0.2 1 501 208 64 THR CB C 67.321 0.2 1 502 208 64 THR CG2 C 20.383 0.2 1 503 208 64 THR N N 115.810 0.2 1 504 209 65 THR H H 7.369 0.02 1 505 209 65 THR HA H 3.455 0.02 1 506 209 65 THR HB H 4.150 0.02 1 507 209 65 THR HG2 H 0.978 0.02 1 508 209 65 THR CA C 65.457 0.2 1 509 209 65 THR CB C 68.253 0.2 1 510 209 65 THR CG2 C 22.580 0.2 1 511 209 65 THR N N 115.691 0.2 1 512 210 66 GLN H H 7.861 0.02 1 513 210 66 GLN HA H 3.762 0.02 1 514 210 66 GLN HB2 H 2.118 0.02 2 515 210 66 GLN HB3 H 2.027 0.02 2 516 210 66 GLN HG2 H 2.339 0.02 2 517 210 66 GLN HG3 H 2.360 0.02 2 518 210 66 GLN HE21 H 6.671 0.02 2 519 210 66 GLN HE22 H 7.273 0.02 2 520 210 66 GLN CA C 58.185 0.2 1 521 210 66 GLN CB C 27.872 0.2 1 522 210 66 GLN CG C 33.198 0.2 1 523 210 66 GLN N N 119.617 0.2 1 524 210 66 GLN NE2 N 112.306 0.2 1 525 211 67 ALA H H 7.353 0.02 1 526 211 67 ALA HA H 3.539 0.02 1 527 211 67 ALA HB H 1.289 0.02 1 528 211 67 ALA CA C 53.419 0.2 1 529 211 67 ALA CB C 19.095 0.2 1 530 211 67 ALA N N 119.974 0.2 1 531 212 68 MET H H 7.147 0.02 1 532 212 68 MET HA H 3.940 0.02 1 533 212 68 MET HB2 H 2.022 0.02 2 534 212 68 MET HB3 H 2.649 0.02 2 535 212 68 MET HG2 H 2.642 0.02 2 536 212 68 MET HG3 H 2.102 0.02 2 537 212 68 MET CA C 57.735 0.2 1 538 212 68 MET CB C 30.357 0.2 1 539 212 68 MET CG C 32.716 0.2 1 540 212 68 MET N N 115.929 0.2 1 541 213 69 ALA H H 7.439 0.02 1 542 213 69 ALA HA H 4.077 0.02 1 543 213 69 ALA HB H 1.155 0.02 1 544 213 69 ALA CA C 53.419 0.2 1 545 213 69 ALA CB C 18.129 0.2 1 546 213 69 ALA N N 120.450 0.2 1 547 214 70 PHE H H 7.603 0.02 1 548 214 70 PHE HA H 4.747 0.02 1 549 214 70 PHE HB2 H 3.428 0.02 2 550 214 70 PHE HB3 H 3.097 0.02 2 551 214 70 PHE HD1 H 6.938 0.02 1 552 214 70 PHE HD2 H 6.938 0.02 1 553 214 70 PHE CA C 55.828 0.2 1 554 214 70 PHE CB C 37.706 0.2 1 555 214 70 PHE CD1 C 129.429 0.2 1 556 214 70 PHE CD2 C 129.429 0.2 1 557 214 70 PHE N N 114.859 0.2 1 558 215 71 ASP H H 7.305 0.02 1 559 215 71 ASP HA H 4.219 0.02 1 560 215 71 ASP HB2 H 2.891 0.02 2 561 215 71 ASP HB3 H 2.623 0.02 2 562 215 71 ASP CB C 41.055 0.2 1 563 215 71 ASP N N 118.903 0.2 1 564 216 72 GLY H H 8.778 0.02 1 565 216 72 GLY HA2 H 4.154 0.02 2 566 216 72 GLY HA3 H 3.496 0.02 2 567 216 72 GLY CA C 45.226 0.2 1 568 216 72 GLY N N 117.714 0.2 1 569 217 73 ILE H H 8.568 0.02 1 570 217 73 ILE HA H 3.970 0.02 1 571 217 73 ILE HB H 1.980 0.02 1 572 217 73 ILE HG12 H 1.215 0.02 4 573 217 73 ILE HG2 H 1.036 0.02 4 574 217 73 ILE HD1 H 0.463 0.02 1 575 217 73 ILE CA C 62.170 0.2 1 576 217 73 ILE CB C 37.527 0.2 1 577 217 73 ILE CG2 C 17.034 0.2 1 578 217 73 ILE CD1 C 14.455 0.2 1 579 217 73 ILE N N 124.018 0.2 1 580 218 74 ILE H H 7.825 0.02 1 581 218 74 ILE HA H 4.525 0.02 1 582 218 74 ILE HB H 1.723 0.02 1 583 218 74 ILE HG12 H 1.462 0.02 2 584 218 74 ILE HG13 H 1.104 0.02 2 585 218 74 ILE HG2 H 0.533 0.02 1 586 218 74 ILE HD1 H 0.627 0.02 1 587 218 74 ILE CA C 58.934 0.2 1 588 218 74 ILE CB C 36.569 0.2 1 589 218 74 ILE CG1 C 27.075 0.2 1 590 218 74 ILE CG2 C 17.310 0.2 1 591 218 74 ILE CD1 C 11.615 0.2 1 592 218 74 ILE N N 124.613 0.2 1 593 219 75 PHE H H 8.989 0.02 1 594 219 75 PHE HA H 4.522 0.02 1 595 219 75 PHE HB2 H 2.385 0.02 2 596 219 75 PHE HB3 H 2.220 0.02 2 597 219 75 PHE HD1 H 6.225 0.02 1 598 219 75 PHE HD2 H 6.225 0.02 1 599 219 75 PHE HE1 H 6.803 0.02 1 600 219 75 PHE HE2 H 6.803 0.02 1 601 219 75 PHE CA C 54.586 0.2 1 602 219 75 PHE CB C 41.340 0.2 1 603 219 75 PHE CD1 C 130.204 0.2 1 604 219 75 PHE CD2 C 130.204 0.2 1 605 219 75 PHE CE1 C 130.270 0.2 1 606 219 75 PHE CE2 C 130.270 0.2 1 607 219 75 PHE N N 129.008 0.2 1 608 220 76 GLN H H 8.833 0.02 1 609 220 76 GLN HA H 3.397 0.02 1 610 220 76 GLN HB2 H 1.730 0.02 2 611 220 76 GLN HB3 H 1.169 0.02 2 612 220 76 GLN HG2 H 1.401 0.02 2 613 220 76 GLN HG3 H 1.153 0.02 2 614 220 76 GLN HE21 H 6.492 0.02 2 615 220 76 GLN HE22 H 6.614 0.02 2 616 220 76 GLN CA C 55.828 0.2 1 617 220 76 GLN CB C 25.470 0.2 1 618 220 76 GLN CG C 32.923 0.2 1 619 220 76 GLN N N 125.089 0.2 1 620 220 76 GLN NE2 N 109.737 0.2 1 621 221 77 GLY H H 7.797 0.02 1 622 221 77 GLY HA2 H 4.061 0.02 2 623 221 77 GLY HA3 H 3.317 0.02 2 624 221 77 GLY CA C 45.444 0.2 1 625 221 77 GLY N N 101.893 0.2 1 626 222 78 GLN H H 7.770 0.02 1 627 222 78 GLN HA H 4.530 0.02 1 628 222 78 GLN HE21 H 6.744 0.02 2 629 222 78 GLN HE22 H 8.020 0.02 2 630 222 78 GLN CA C 53.404 0.2 1 631 222 78 GLN CB C 31.370 0.2 1 632 222 78 GLN CG C 25.142 0.2 1 633 222 78 GLN N N 119.051 0.2 1 634 222 78 GLN NE2 N 111.985 0.2 1 635 223 79 SER H H 8.465 0.02 1 636 223 79 SER HA H 4.505 0.02 1 637 223 79 SER HB2 H 3.624 0.02 2 638 223 79 SER HB3 H 3.615 0.02 2 639 223 79 SER CA C 57.070 0.2 1 640 223 79 SER CB C 62.662 0.2 1 641 223 79 SER N N 113.190 0.2 1 642 224 80 LEU H H 9.090 0.02 1 643 224 80 LEU HA H 4.518 0.02 1 644 224 80 LEU HB2 H 1.956 0.02 2 645 224 80 LEU HB3 H 1.231 0.02 2 646 224 80 LEU HD1 H 0.745 0.02 4 647 224 80 LEU HD2 H 0.756 0.02 4 648 224 80 LEU CA C 55.207 0.2 1 649 224 80 LEU CB C 41.539 0.2 1 650 224 80 LEU CD1 C 22.959 0.2 2 651 224 80 LEU CD2 C 25.966 0.2 2 652 224 80 LEU N N 129.811 0.2 1 653 225 81 LYS H H 7.786 0.02 1 654 225 81 LYS HA H 4.946 0.02 1 655 225 81 LYS HB2 H 1.630 0.02 2 656 225 81 LYS HG2 H 1.726 0.02 2 657 225 81 LYS HD2 H 1.360 0.02 2 658 225 81 LYS HE2 H 2.896 0.02 2 659 225 81 LYS HE3 H 2.853 0.02 2 660 225 81 LYS CA C 53.343 0.2 1 661 225 81 LYS CB C 33.462 0.2 1 662 225 81 LYS CG C 24.123 0.2 1 663 225 81 LYS CD C 28.492 0.2 1 664 225 81 LYS N N 123.067 0.2 1 665 226 82 ILE H H 9.129 0.02 1 666 226 82 ILE HA H 5.327 0.02 1 667 226 82 ILE HB H 1.545 0.02 1 668 226 82 ILE HG12 H 1.666 0.02 2 669 226 82 ILE HG13 H 1.209 0.02 2 670 226 82 ILE HG2 H 0.915 0.02 1 671 226 82 ILE HD1 H 0.964 0.02 1 672 226 82 ILE CA C 66.493 0.2 1 673 226 82 ILE CB C 39.675 0.2 1 674 226 82 ILE CG1 C 27.871 0.2 1 675 226 82 ILE CG2 C 18.958 0.2 1 676 226 82 ILE CD1 C 13.582 0.2 1 677 226 82 ILE N N 127.884 0.2 1 678 227 83 ARG H H 9.120 0.02 1 679 227 83 ARG CD C 43.019 0.2 1 680 227 83 ARG N N 124.511 0.2 1 681 228 84 ARG H H 8.775 0.02 1 682 228 84 ARG N N 119.617 0.2 1 683 230 86 HIS HA H 4.621 0.02 1 684 230 86 HIS HB2 H 1.621 0.02 2 685 230 86 HIS HD2 H 6.969 0.02 1 686 230 86 HIS HE1 H 7.590 0.02 1 687 230 86 HIS CD2 C 118.655 0.2 1 688 230 86 HIS CE1 C 138.750 0.2 1 689 231 87 ASP CA C 53.462 0.2 1 690 231 87 ASP CB C 39.415 0.2 1 691 232 88 TYR H H 7.547 0.02 1 692 232 88 TYR HD1 H 6.734 0.02 1 693 232 88 TYR HD2 H 6.734 0.02 1 694 232 88 TYR CD1 C 131.250 0.2 1 695 232 88 TYR CD2 C 131.250 0.2 1 696 232 88 TYR N N 119.855 0.2 1 697 233 89 GLN H H 7.632 0.02 1 698 233 89 GLN N N 125.796 0.2 1 699 236 92 PRO C C 182.836 0.2 1 700 236 92 PRO CA C 63.023 0.2 1 701 236 92 PRO CB C 31.888 0.2 1 702 236 92 PRO CG C 27.228 0.2 1 703 237 93 GLY H H 8.339 0.02 1 704 237 93 GLY HA2 H 3.831 0.02 2 705 237 93 GLY CA C 45.289 0.2 1 706 237 93 GLY N N 109.506 0.2 1 707 238 94 MET H H 8.009 0.02 1 708 238 94 MET CG C 29.817 0.2 1 709 238 94 MET N N 119.617 0.2 1 710 239 95 SER H H 8.258 0.02 1 711 239 95 SER HB2 H 3.757 0.02 2 712 239 95 SER HB3 H 3.720 0.02 2 713 239 95 SER CB C 63.413 0.2 1 714 239 95 SER N N 117.119 0.2 1 715 240 96 GLU H H 8.369 0.02 1 716 240 96 GLU CA C 56.020 0.2 1 717 240 96 GLU CB C 30.295 0.2 1 718 240 96 GLU CG C 36.106 0.2 1 719 240 96 GLU N N 122.353 0.2 1 720 241 97 ASN H H 8.369 0.02 1 721 241 97 ASN N N 120.331 0.2 1 722 242 98 PRO CA C 63.244 0.2 1 723 242 98 PRO CB C 31.987 0.2 1 724 242 98 PRO CG C 26.912 0.2 1 725 242 98 PRO CD C 50.526 0.2 1 726 243 99 SER H H 8.290 0.02 1 727 243 99 SER HB2 H 3.739 0.02 2 728 243 99 SER HB3 H 3.739 0.02 2 729 243 99 SER CA C 60.730 0.2 1 730 243 99 SER CB C 63.476 0.2 1 731 243 99 SER N N 115.810 0.2 1 732 244 100 VAL H H 7.845 0.02 1 733 244 100 VAL HB H 1.937 0.02 1 734 244 100 VAL CA C 61.573 0.2 1 735 244 100 VAL CB C 32.943 0.2 1 736 244 100 VAL CG1 C 20.514 0.2 2 737 244 100 VAL CG2 C 20.514 0.2 2 738 244 100 VAL N N 121.163 0.2 1 739 245 101 TYR H H 8.189 0.02 1 740 245 101 TYR HA H 4.041 0.02 1 741 245 101 TYR HD1 H 6.840 0.02 1 742 245 101 TYR HD2 H 6.840 0.02 1 743 245 101 TYR CD1 C 129.153 0.2 1 744 245 101 TYR CD2 C 129.153 0.2 1 745 245 101 TYR N N 124.732 0.2 1 746 246 102 VAL H H 7.989 0.02 1 747 246 102 VAL HB H 1.806 0.02 1 748 246 102 VAL HG1 H 0.765 0.02 4 749 246 102 VAL N N 128.044 0.2 1 750 247 103 PRO CA C 63.469 0.2 1 751 247 103 PRO CB C 31.888 0.2 1 752 247 103 PRO CG C 27.228 0.2 1 753 247 103 PRO CD C 50.888 0.2 1 754 248 104 GLY H H 8.302 0.02 1 755 248 104 GLY CA C 45.078 0.2 1 756 248 104 GLY N N 109.506 0.2 1 757 249 105 VAL H H 7.943 0.02 1 758 249 105 VAL HB H 1.971 0.02 1 759 249 105 VAL CA C 61.700 0.2 1 760 249 105 VAL CB C 32.796 0.2 1 761 249 105 VAL CG1 C 20.734 0.2 2 762 249 105 VAL CG2 C 20.734 0.2 2 763 249 105 VAL N N 120.926 0.2 1 764 250 106 VAL H H 8.425 0.02 1 765 250 106 VAL HA H 3.882 0.02 1 766 250 106 VAL HB H 1.915 0.02 1 767 250 106 VAL HG1 H 0.755 0.02 4 768 250 106 VAL CA C 62.704 0.2 1 769 250 106 VAL CB C 32.444 0.2 1 770 250 106 VAL CG1 C 20.955 0.2 2 771 250 106 VAL CG2 C 22.058 0.2 2 772 250 106 VAL N N 127.111 0.2 1 773 251 107 SER H H 8.204 0.02 1 774 251 107 SER HB2 H 3.920 0.02 2 775 251 107 SER HB3 H 3.920 0.02 2 776 251 107 SER N N 122.353 0.2 1 777 252 108 THR H H 8.164 0.02 1 778 252 108 THR HB H 3.991 0.02 1 779 252 108 THR HG2 H 1.280 0.02 1 780 252 108 THR CB C 69.275 0.2 1 781 252 108 THR CG2 C 21.691 0.2 1 782 252 108 THR N N 115.839 0.2 1 783 253 109 VAL H H 7.774 0.02 1 784 253 109 VAL N N 121.877 0.2 1 785 254 110 VAL H H 8.479 0.02 1 786 254 110 VAL N N 126.775 0.2 1 787 258 114 ALA HA H 4.029 0.02 1 788 258 114 ALA HB H 0.993 0.02 1 789 258 114 ALA CA C 53.344 0.2 1 790 258 114 ALA CB C 18.160 0.2 1 791 259 115 HIS H H 7.933 0.02 1 792 259 115 HIS HA H 4.600 0.02 1 793 259 115 HIS HB2 H 3.460 0.02 2 794 259 115 HIS HB3 H 2.726 0.02 2 795 259 115 HIS HD2 H 6.994 0.02 1 796 259 115 HIS HE1 H 7.660 0.02 1 797 259 115 HIS CA C 55.207 0.2 1 798 259 115 HIS CB C 31.456 0.2 1 799 259 115 HIS CD2 C 119.503 0.2 1 800 259 115 HIS CE1 C 138.750 0.2 1 801 259 115 HIS N N 114.383 0.2 1 802 260 116 LYS H H 6.966 0.02 1 803 260 116 LYS HA H 4.340 0.02 1 804 260 116 LYS HB2 H 1.887 0.02 2 805 260 116 LYS HB3 H 1.815 0.02 2 806 260 116 LYS CA C 57.071 0.2 1 807 260 116 LYS CB C 33.463 0.2 1 808 260 116 LYS N N 122.591 0.2 1 809 261 117 LEU H H 9.622 0.02 1 810 261 117 LEU HA H 4.851 0.02 1 811 261 117 LEU HB2 H 2.017 0.02 2 812 261 117 LEU HB3 H 1.240 0.02 2 813 261 117 LEU HG H 1.809 0.02 1 814 261 117 LEU HD1 H 0.607 0.02 4 815 261 117 LEU HD2 H 0.837 0.02 4 816 261 117 LEU CB C 44.645 0.2 1 817 261 117 LEU CG C 26.007 0.2 1 818 261 117 LEU CD1 C 24.143 0.2 2 819 261 117 LEU CD2 C 25.386 0.2 2 820 261 117 LEU N N 129.971 0.2 1 821 262 118 PHE H H 9.094 0.02 1 822 262 118 PHE HA H 4.772 0.02 1 823 262 118 PHE HB2 H 2.911 0.02 2 824 262 118 PHE HB3 H 2.783 0.02 2 825 262 118 PHE HD1 H 6.784 0.02 1 826 262 118 PHE HD2 H 6.784 0.02 1 827 262 118 PHE HE1 H 6.806 0.02 1 828 262 118 PHE HE2 H 6.806 0.02 1 829 262 118 PHE CA C 51.479 0.2 1 830 262 118 PHE CB C 41.539 0.2 1 831 262 118 PHE CD1 C 131.364 0.2 1 832 262 118 PHE CD2 C 131.364 0.2 1 833 262 118 PHE N N 122.745 0.2 1 834 263 119 ILE H H 8.099 0.02 1 835 263 119 ILE HA H 4.581 0.02 1 836 263 119 ILE HB H 1.462 0.02 1 837 263 119 ILE HG12 H 1.233 0.02 2 838 263 119 ILE HG13 H 0.983 0.02 2 839 263 119 ILE HG2 H 0.536 0.02 1 840 263 119 ILE HD1 H 0.633 0.02 1 841 263 119 ILE CA C 58.313 0.2 1 842 263 119 ILE CB C 39.054 0.2 1 843 263 119 ILE CG1 C 28.492 0.2 1 844 263 119 ILE CG2 C 18.552 0.2 1 845 263 119 ILE CD1 C 15.446 0.2 1 846 263 119 ILE N N 126.760 0.2 1 847 264 120 GLY H H 9.147 0.02 1 848 264 120 GLY HA2 H 4.550 0.02 2 849 264 120 GLY HA3 H 3.452 0.02 2 850 264 120 GLY CA C 42.781 0.2 1 851 264 120 GLY N N 112.306 0.2 1 852 265 121 GLY H H 8.004 0.02 1 853 265 121 GLY HA2 H 4.169 0.02 2 854 265 121 GLY HA3 H 3.475 0.02 2 855 265 121 GLY CA C 45.266 0.2 1 856 265 121 GLY N N 106.686 0.2 1 857 266 122 LEU H H 7.388 0.02 1 858 266 122 LEU HA H 3.832 0.02 1 859 266 122 LEU HB2 H 0.946 0.02 2 860 266 122 LEU HB3 H 0.812 0.02 2 861 266 122 LEU HG H 1.102 0.02 1 862 266 122 LEU HD1 H 0.366 0.02 4 863 266 122 LEU HD2 H 0.473 0.02 4 864 266 122 LEU CA C 52.100 0.2 1 865 266 122 LEU CB C 41.539 0.2 1 866 266 122 LEU CG C 26.007 0.2 1 867 266 122 LEU CD1 C 26.007 0.2 2 868 266 122 LEU CD2 C 26.007 0.2 2 869 266 122 LEU N N 116.161 0.2 1 870 268 124 ASN HA H 3.896 0.02 1 871 268 124 ASN HB2 H 2.896 0.02 2 872 268 124 ASN HB3 H 2.722 0.02 2 873 268 124 ASN HD21 H 6.800 0.02 2 874 268 124 ASN HD22 H 7.359 0.02 2 875 268 124 ASN CA C 55.200 0.2 1 876 268 124 ASN CB C 37.282 0.2 1 877 268 124 ASN ND2 N 110.058 0.2 1 878 269 125 TYR H H 6.490 0.02 1 879 269 125 TYR HA H 4.480 0.02 1 880 269 125 TYR HB2 H 3.305 0.02 2 881 269 125 TYR HB3 H 2.737 0.02 2 882 269 125 TYR HD1 H 6.915 0.02 1 883 269 125 TYR HD2 H 6.915 0.02 1 884 269 125 TYR CA C 55.828 0.2 1 885 269 125 TYR CB C 36.569 0.2 1 886 269 125 TYR CD1 C 132.500 0.2 1 887 269 125 TYR CD2 C 132.500 0.2 1 888 269 125 TYR N N 110.576 0.2 1 889 270 126 LEU H H 6.728 0.02 1 890 270 126 LEU HA H 4.497 0.02 1 891 270 126 LEU HB2 H 1.363 0.02 2 892 270 126 LEU HB3 H 1.192 0.02 2 893 270 126 LEU HG H 1.025 0.02 1 894 270 126 LEU HD1 H 0.563 0.02 4 895 270 126 LEU HD2 H 0.645 0.02 4 896 270 126 LEU CA C 54.586 0.2 1 897 270 126 LEU CB C 42.160 0.2 1 898 270 126 LEU CG C 26.628 0.2 1 899 270 126 LEU N N 122.102 0.2 1 900 271 127 ASN H H 8.736 0.02 1 901 271 127 ASN HA H 4.671 0.02 1 902 271 127 ASN HB2 H 3.283 0.02 2 903 271 127 ASN HB3 H 2.834 0.02 2 904 271 127 ASN HD21 H 6.878 0.02 2 905 271 127 ASN HD22 H 7.344 0.02 2 906 271 127 ASN CA C 50.815 0.2 1 907 271 127 ASN CB C 39.489 0.2 1 908 271 127 ASN N N 122.584 0.2 1 909 271 127 ASN ND2 N 111.022 0.2 1 910 272 128 ASP H H 8.462 0.02 1 911 272 128 ASP HB2 H 2.637 0.02 2 912 272 128 ASP CA C 58.537 0.2 1 913 272 128 ASP CB C 40.689 0.2 1 914 272 128 ASP N N 115.097 0.2 1 915 273 129 ASP H H 7.863 0.02 1 916 273 129 ASP HA H 4.051 0.02 1 917 273 129 ASP HB2 H 2.506 0.02 2 918 273 129 ASP CA C 48.373 0.2 1 919 273 129 ASP CB C 39.930 0.2 1 920 273 129 ASP N N 117.000 0.2 1 921 274 130 GLN H H 8.260 0.02 1 922 274 130 GLN HA H 3.931 0.02 1 923 274 130 GLN HB2 H 2.147 0.02 2 924 274 130 GLN HB3 H 1.775 0.02 2 925 274 130 GLN HG2 H 2.507 0.02 2 926 274 130 GLN HG3 H 2.314 0.02 2 927 274 130 GLN HE21 H 6.587 0.02 2 928 274 130 GLN HE22 H 7.424 0.02 2 929 274 130 GLN CA C 58.537 0.2 1 930 274 130 GLN CB C 29.113 0.2 1 931 274 130 GLN CG C 34.545 0.2 1 932 274 130 GLN N N 120.093 0.2 1 933 274 130 GLN NE2 N 111.343 0.2 1 934 275 131 VAL H H 8.187 0.02 1 935 275 131 VAL HA H 3.390 0.02 1 936 275 131 VAL HB H 2.024 0.02 1 937 275 131 VAL HG1 H 0.793 0.02 4 938 275 131 VAL HG2 H 0.917 0.02 4 939 275 131 VAL CA C 66.389 0.2 1 940 275 131 VAL CB C 31.600 0.2 1 941 275 131 VAL CG1 C 22.281 0.2 2 942 275 131 VAL CG2 C 24.143 0.2 2 943 275 131 VAL N N 120.093 0.2 1 944 276 132 LYS H H 8.158 0.02 1 945 276 132 LYS HA H 3.031 0.02 1 946 276 132 LYS HB2 H 1.372 0.02 2 947 276 132 LYS HB3 H 1.296 0.02 2 948 276 132 LYS HD2 H 1.242 0.02 2 949 276 132 LYS HG2 H 0.380 0.02 2 950 276 132 LYS HG3 H 0.335 0.02 2 951 276 132 LYS HE2 H 2.492 0.02 2 952 276 132 LYS CA C 60.798 0.2 1 953 276 132 LYS CB C 30.977 0.2 1 954 276 132 LYS CG C 25.386 0.2 1 955 276 132 LYS CD C 29.113 0.2 1 956 276 132 LYS CE C 41.539 0.2 1 957 276 132 LYS N N 119.212 0.2 1 958 277 133 GLU H H 7.747 0.02 1 959 277 133 GLU HB2 H 1.923 0.02 2 960 277 133 GLU HB3 H 1.926 0.02 2 961 277 133 GLU HG2 H 2.168 0.02 2 962 277 133 GLU CA C 59.125 0.2 1 963 277 133 GLU CB C 29.114 0.2 1 964 277 133 GLU CG C 36.032 0.2 1 965 277 133 GLU N N 119.051 0.2 1 966 278 134 LEU H H 7.076 0.02 1 967 278 134 LEU HB2 H 1.735 0.02 2 968 278 134 LEU CB C 41.725 0.2 1 969 278 134 LEU CD1 C 24.122 0.2 2 970 278 134 LEU CD2 C 24.122 0.2 2 971 278 134 LEU N N 118.665 0.2 1 972 279 135 LEU H H 7.555 0.02 1 973 279 135 LEU HA H 4.010 0.02 1 974 279 135 LEU HB2 H 1.701 0.02 2 975 279 135 LEU HG H 1.596 0.02 1 976 279 135 LEU HD1 H 0.679 0.02 4 977 279 135 LEU HD2 H 0.716 0.02 4 978 279 135 LEU CA C 57.070 0.2 1 979 279 135 LEU CB C 41.539 0.2 1 980 279 135 LEU CG C 26.007 0.2 1 981 279 135 LEU CD1 C 24.143 0.2 2 982 279 135 LEU N N 116.167 0.2 1 983 280 136 THR H H 8.865 0.02 1 984 280 136 THR HA H 4.945 0.02 1 985 280 136 THR HB H 4.239 0.02 1 986 280 136 THR HG2 H 1.203 0.02 1 987 280 136 THR CA C 63.904 0.2 1 988 280 136 THR CB C 68.874 0.2 1 989 280 136 THR CG2 C 21.620 0.2 1 990 280 136 THR N N 113.431 0.2 1 991 281 137 SER H H 7.172 0.02 1 992 281 137 SER HA H 3.970 0.02 1 993 281 137 SER HB2 H 3.525 0.02 2 994 281 137 SER HB3 H 3.419 0.02 2 995 281 137 SER CA C 62.040 0.2 1 996 281 137 SER CB C 62.040 0.2 1 997 281 137 SER N N 117.766 0.2 1 998 282 138 PHE H H 7.135 0.02 1 999 282 138 PHE HA H 4.104 0.02 1 1000 282 138 PHE HB2 H 2.839 0.02 2 1001 282 138 PHE HB3 H 2.553 0.02 2 1002 282 138 PHE HD1 H 7.148 0.02 1 1003 282 138 PHE HD2 H 7.148 0.02 1 1004 282 138 PHE CA C 59.714 0.2 1 1005 282 138 PHE CB C 38.974 0.2 1 1006 282 138 PHE N N 112.885 0.2 1 1007 283 139 GLY H H 7.205 0.02 1 1008 283 139 GLY HA2 H 4.342 0.02 2 1009 283 139 GLY HA3 H 3.908 0.02 2 1010 283 139 GLY CA C 44.024 0.2 1 1011 283 139 GLY N N 107.959 0.2 1 1012 284 140 PRO CA C 61.972 0.2 1 1013 284 140 PRO CB C 32.208 0.2 1 1014 284 140 PRO CG C 27.427 0.2 1 1015 284 140 PRO CD C 49.638 0.2 1 1016 285 141 LEU H H 8.689 0.02 1 1017 285 141 LEU HA H 4.319 0.02 1 1018 285 141 LEU HB2 H 1.752 0.02 2 1019 285 141 LEU HB3 H 1.056 0.02 2 1020 285 141 LEU HG H 1.469 0.02 1 1021 285 141 LEU HD1 H 0.045 0.02 4 1022 285 141 LEU HD2 H 0.570 0.02 4 1023 285 141 LEU CA C 53.964 0.2 1 1024 285 141 LEU CB C 43.403 0.2 1 1025 285 141 LEU CG C 25.386 0.2 1 1026 285 141 LEU CD1 C 22.901 0.2 2 1027 285 141 LEU CD2 C 26.628 0.2 2 1028 285 141 LEU N N 121.401 0.2 1 1029 286 142 LYS H H 9.152 0.02 1 1030 286 142 LYS HB2 H 1.418 0.02 2 1031 286 142 LYS HB3 H 1.278 0.02 2 1032 286 142 LYS CB C 34.085 0.2 1 1033 286 142 LYS CG C 24.559 0.2 1 1034 286 142 LYS CD C 29.633 0.2 1 1035 286 142 LYS CE C 41.874 0.2 1 1036 286 142 LYS N N 121.781 0.2 1 1037 287 143 ALA H H 7.711 0.02 1 1038 287 143 ALA HA H 4.534 0.02 1 1039 287 143 ALA HB H 1.242 0.02 1 1040 287 143 ALA CA C 50.858 0.2 1 1041 287 143 ALA CB C 22.901 0.2 1 1042 287 143 ALA N N 120.212 0.2 1 1043 288 144 PHE H H 8.690 0.02 1 1044 288 144 PHE HA H 4.846 0.02 1 1045 288 144 PHE HB2 H 3.131 0.02 2 1046 288 144 PHE HB3 H 2.555 0.02 2 1047 288 144 PHE HD1 H 6.889 0.02 1 1048 288 144 PHE HD2 H 6.889 0.02 1 1049 288 144 PHE HE1 H 6.887 0.02 1 1050 288 144 PHE HE2 H 6.887 0.02 1 1051 288 144 PHE CA C 58.313 0.2 1 1052 288 144 PHE CB C 42.160 0.2 1 1053 288 144 PHE N N 121.781 0.2 1 1054 289 145 ASN H H 7.955 0.02 1 1055 289 145 ASN HA H 4.166 0.02 1 1056 289 145 ASN HB2 H 2.480 0.02 2 1057 289 145 ASN HB3 H 2.409 0.02 2 1058 289 145 ASN HD21 H 6.576 0.02 2 1059 289 145 ASN HD22 H 7.283 0.02 2 1060 289 145 ASN CA C 49.408 0.2 1 1061 289 145 ASN CB C 41.539 0.2 1 1062 289 145 ASN N N 124.511 0.2 1 1063 289 145 ASN ND2 N 111.022 0.2 1 1064 290 146 LEU H H 8.257 0.02 1 1065 290 146 LEU HA H 4.110 0.02 1 1066 290 146 LEU HB2 H 1.796 0.02 2 1067 290 146 LEU HB3 H 1.013 0.02 2 1068 290 146 LEU HG H 0.712 0.02 4 1069 290 146 LEU HD1 H 0.618 0.02 4 1070 290 146 LEU HD2 H 0.691 0.02 4 1071 290 146 LEU CA C 53.964 0.2 1 1072 290 146 LEU CB C 42.781 0.2 1 1073 290 146 LEU CD1 C 23.522 0.2 2 1074 290 146 LEU CD2 C 25.386 0.2 2 1075 290 146 LEU N N 128.847 0.2 1 1076 291 147 VAL H H 7.971 0.02 1 1077 291 147 VAL HA H 3.455 0.02 1 1078 291 147 VAL HB H 0.918 0.02 1 1079 291 147 VAL HG1 H 0.614 0.02 4 1080 291 147 VAL HG2 H 0.753 0.02 4 1081 291 147 VAL CA C 65.147 0.2 1 1082 291 147 VAL CB C 30.356 0.2 1 1083 291 147 VAL CG1 C 21.037 0.2 2 1084 291 147 VAL CG2 C 22.280 0.2 2 1085 291 147 VAL N N 130.132 0.2 1 1086 292 148 LYS H H 8.214 0.02 1 1087 292 148 LYS CB C 35.624 0.2 1 1088 292 148 LYS CG C 24.311 0.2 1 1089 292 148 LYS CD C 28.562 0.2 1 1090 292 148 LYS CE C 42.021 0.2 1 1091 292 148 LYS N N 124.993 0.2 1 1092 293 149 ASP H H 8.644 0.02 1 1093 293 149 ASP HA H 4.452 0.02 1 1094 293 149 ASP HB2 H 2.982 0.02 2 1095 293 149 ASP HB3 H 2.318 0.02 2 1096 293 149 ASP CA C 53.343 0.2 1 1097 293 149 ASP CB C 42.781 0.2 1 1098 293 149 ASP N N 122.234 0.2 1 1099 294 150 SER H H 8.958 0.02 1 1100 294 150 SER N N 123.916 0.2 1 1101 295 151 ALA H H 8.449 0.02 1 1102 295 151 ALA HB H 1.477 0.02 1 1103 295 151 ALA CA C 54.150 0.2 1 1104 295 151 ALA CB C 19.463 0.2 1 1105 295 151 ALA N N 123.195 0.2 1 1106 296 152 THR H H 7.800 0.02 1 1107 296 152 THR HA H 4.307 0.02 1 1108 296 152 THR HB H 4.222 0.02 1 1109 296 152 THR HG2 H 1.109 0.02 1 1110 296 152 THR CA C 61.319 0.2 1 1111 296 152 THR CB C 70.905 0.2 1 1112 296 152 THR CG2 C 20.854 0.2 1 1113 296 152 THR N N 105.342 0.2 1 1114 297 153 GLY H H 8.252 0.02 1 1115 297 153 GLY HA2 H 4.043 0.02 2 1116 297 153 GLY HA3 H 3.618 0.02 2 1117 297 153 GLY CA C 45.718 0.2 1 1118 297 153 GLY N N 110.861 0.2 1 1119 298 154 LEU H H 7.662 0.02 1 1120 298 154 LEU CB C 42.242 0.2 1 1121 298 154 LEU CG C 26.471 0.2 1 1122 298 154 LEU CD1 C 22.569 0.2 2 1123 298 154 LEU CD2 C 24.640 0.2 2 1124 298 154 LEU N N 120.093 0.2 1 1125 299 155 SER H H 8.499 0.02 1 1126 299 155 SER HB2 H 3.909 0.02 2 1127 299 155 SER CB C 64.062 0.2 1 1128 299 155 SER N N 115.216 0.2 1 1129 300 156 LYS H H 9.154 0.02 1 1130 300 156 LYS HG2 H 1.881 0.02 2 1131 300 156 LYS HG3 H 1.614 0.02 2 1132 300 156 LYS HE2 H 3.032 0.02 2 1133 300 156 LYS CA C 55.829 0.2 1 1134 300 156 LYS CG C 25.675 0.2 1 1135 300 156 LYS CD C 29.299 0.2 1 1136 300 156 LYS CE C 41.725 0.2 1 1137 300 156 LYS N N 124.351 0.2 1 1138 301 157 GLY H H 8.928 0.02 1 1139 301 157 GLY HA2 H 4.060 0.02 2 1140 301 157 GLY HA3 H 3.224 0.02 2 1141 301 157 GLY CA C 45.866 0.2 1 1142 301 157 GLY N N 106.770 0.2 1 1143 302 158 TYR H H 6.832 0.02 1 1144 302 158 TYR HA H 5.275 0.02 1 1145 302 158 TYR HB2 H 2.945 0.02 2 1146 302 158 TYR HB3 H 2.524 0.02 2 1147 302 158 TYR HD1 H 6.563 0.02 1 1148 302 158 TYR HD2 H 6.563 0.02 1 1149 302 158 TYR CA C 54.585 0.2 1 1150 302 158 TYR CB C 40.296 0.2 1 1151 302 158 TYR CD1 C 133.750 0.2 1 1152 302 158 TYR CD2 C 133.750 0.2 1 1153 302 158 TYR N N 112.004 0.2 1 1154 303 159 ALA H H 8.824 0.02 1 1155 303 159 ALA HA H 4.835 0.02 1 1156 303 159 ALA HB H 0.891 0.02 1 1157 303 159 ALA CA C 48.994 0.2 1 1158 303 159 ALA CB C 24.143 0.2 1 1159 303 159 ALA N N 120.818 0.2 1 1160 304 160 PHE H H 8.218 0.02 1 1161 304 160 PHE HA H 5.894 0.02 1 1162 304 160 PHE HB2 H 2.858 0.02 2 1163 304 160 PHE HB3 H 2.574 0.02 2 1164 304 160 PHE HD1 H 7.180 0.02 1 1165 304 160 PHE HD2 H 7.180 0.02 1 1166 304 160 PHE HE1 H 7.442 0.02 1 1167 304 160 PHE HE2 H 7.442 0.02 1 1168 304 160 PHE CA C 55.207 0.2 1 1169 304 160 PHE CB C 43.403 0.2 1 1170 304 160 PHE CD1 C 131.250 0.2 1 1171 304 160 PHE CD2 C 131.250 0.2 1 1172 304 160 PHE N N 112.820 0.2 1 1173 305 161 CYS H H 8.781 0.02 1 1174 305 161 CYS HA H 5.044 0.02 1 1175 305 161 CYS HB2 H 3.197 0.02 2 1176 305 161 CYS HB3 H 2.714 0.02 2 1177 305 161 CYS CA C 56.449 0.2 1 1178 305 161 CYS CB C 32.220 0.2 1 1179 305 161 CYS N N 113.431 0.2 1 1180 306 162 GLU H H 7.951 0.02 1 1181 306 162 GLU HA H 4.431 0.02 1 1182 306 162 GLU HB2 H 1.897 0.02 2 1183 306 162 GLU HB3 H 1.612 0.02 2 1184 306 162 GLU HG2 H 2.141 0.02 2 1185 306 162 GLU HG3 H 2.145 0.02 2 1186 306 162 GLU CA C 55.829 0.2 1 1187 306 162 GLU CB C 34.084 0.2 1 1188 306 162 GLU CG C 35.947 0.2 1 1189 306 162 GLU N N 118.409 0.2 1 1190 307 163 TYR H H 9.330 0.02 1 1191 307 163 TYR HA H 4.344 0.02 1 1192 307 163 TYR HB2 H 3.169 0.02 2 1193 307 163 TYR HB3 H 2.293 0.02 2 1194 307 163 TYR HD1 H 6.827 0.02 1 1195 307 163 TYR HD2 H 6.827 0.02 1 1196 307 163 TYR HE1 H 6.544 0.02 1 1197 307 163 TYR HE2 H 6.544 0.02 1 1198 307 163 TYR CA C 60.798 0.2 1 1199 307 163 TYR CB C 39.054 0.2 1 1200 307 163 TYR CD1 C 132.500 0.2 1 1201 307 163 TYR CD2 C 132.500 0.2 1 1202 307 163 TYR CE1 C 117.347 0.2 1 1203 307 163 TYR CE2 C 117.347 0.2 1 1204 307 163 TYR N N 128.687 0.2 1 1205 308 164 VAL H H 8.030 0.02 1 1206 308 164 VAL HA H 3.319 0.02 1 1207 308 164 VAL HB H 1.854 0.02 1 1208 308 164 VAL HG1 H 0.709 0.02 4 1209 308 164 VAL HG2 H 0.736 0.02 4 1210 308 164 VAL CA C 67.010 0.2 1 1211 308 164 VAL CB C 31.600 0.2 1 1212 308 164 VAL CG1 C 22.475 0.2 2 1213 308 164 VAL CG2 C 22.280 0.2 2 1214 308 164 VAL N N 119.854 0.2 1 1215 309 165 ASP H H 8.551 0.02 1 1216 309 165 ASP HA H 4.721 0.02 1 1217 309 165 ASP HB2 H 2.868 0.02 2 1218 309 165 ASP HB3 H 2.461 0.02 2 1219 309 165 ASP CA C 52.100 0.2 1 1220 309 165 ASP CB C 40.917 0.2 1 1221 309 165 ASP N N 117.766 0.2 1 1222 310 166 ILE H H 8.066 0.02 1 1223 310 166 ILE HA H 3.617 0.02 1 1224 310 166 ILE HB H 1.307 0.02 1 1225 310 166 ILE HG12 H 1.155 0.02 2 1226 310 166 ILE HG13 H 0.916 0.02 2 1227 310 166 ILE HG2 H 0.677 0.02 1 1228 310 166 ILE HD1 H 0.558 0.02 1 1229 310 166 ILE CA C 63.904 0.2 1 1230 310 166 ILE CB C 37.811 0.2 1 1231 310 166 ILE CG1 C 26.007 0.2 1 1232 310 166 ILE CG2 C 18.552 0.2 1 1233 310 166 ILE CD1 C 13.582 0.2 1 1234 310 166 ILE N N 119.968 0.2 1 1235 311 167 ASN H H 8.540 0.02 1 1236 311 167 ASN HA H 4.414 0.02 1 1237 311 167 ASN HB2 H 2.800 0.02 2 1238 311 167 ASN HB3 H 2.651 0.02 2 1239 311 167 ASN HD21 H 6.892 0.02 2 1240 311 167 ASN HD22 H 7.938 0.02 2 1241 311 167 ASN CA C 55.207 0.2 1 1242 311 167 ASN CB C 37.811 0.2 1 1243 311 167 ASN N N 119.854 0.2 1 1244 311 167 ASN ND2 N 115.036 0.2 1 1245 312 168 VAL H H 7.700 0.02 1 1246 312 168 VAL HA H 3.751 0.02 1 1247 312 168 VAL HB H 1.861 0.02 1 1248 312 168 VAL HG1 H 0.220 0.02 4 1249 312 168 VAL HG2 H 0.751 0.02 4 1250 312 168 VAL CA C 63.283 0.2 1 1251 312 168 VAL CB C 31.599 0.2 1 1252 312 168 VAL CG1 C 21.534 0.2 2 1253 312 168 VAL CG2 C 21.534 0.2 2 1254 312 168 VAL N N 118.648 0.2 1 1255 313 169 THR H H 7.188 0.02 1 1256 313 169 THR HA H 3.385 0.02 1 1257 313 169 THR HB H 4.192 0.02 1 1258 313 169 THR HG2 H 1.282 0.02 1 1259 313 169 THR CA C 67.321 0.2 1 1260 313 169 THR CB C 68.874 0.2 1 1261 313 169 THR CG2 C 22.051 0.2 1 1262 313 169 THR N N 116.482 0.2 1 1263 314 170 ASP H H 8.132 0.02 1 1264 314 170 ASP HA H 4.318 0.02 1 1265 314 170 ASP CB C 40.267 0.2 1 1266 314 170 ASP N N 116.881 0.2 1 1267 315 171 GLN H H 7.436 0.02 1 1268 315 171 GLN CA C 58.249 0.2 1 1269 315 171 GLN CG C 33.842 0.2 1 1270 315 171 GLN N N 119.593 0.2 1 1271 316 172 ALA H H 7.904 0.02 1 1272 316 172 ALA HA H 2.266 0.02 1 1273 316 172 ALA HB H 0.869 0.02 1 1274 316 172 ALA CA C 54.321 0.2 1 1275 316 172 ALA CB C 18.065 0.2 1 1276 316 172 ALA N N 124.732 0.2 1 1277 317 173 ILE H H 7.660 0.02 1 1278 317 173 ILE HA H 3.167 0.02 1 1279 317 173 ILE HB H 1.615 0.02 1 1280 317 173 ILE HG12 H 1.767 0.02 2 1281 317 173 ILE HG13 H 0.548 0.02 2 1282 317 173 ILE HG2 H 0.845 0.02 1 1283 317 173 ILE HD1 H 0.837 0.02 1 1284 317 173 ILE CA C 71.856 0.2 1 1285 317 173 ILE CB C 38.432 0.2 1 1286 317 173 ILE CG1 C 29.735 0.2 1 1287 317 173 ILE CG2 C 16.688 0.2 1 1288 317 173 ILE CD1 C 14.129 0.2 1 1289 317 173 ILE N N 116.405 0.2 1 1290 318 174 ALA H H 7.399 0.02 1 1291 318 174 ALA HA H 3.974 0.02 1 1292 318 174 ALA HB H 1.339 0.02 1 1293 318 174 ALA CA C 54.489 0.2 1 1294 318 174 ALA CB C 18.065 0.2 1 1295 318 174 ALA N N 118.248 0.2 1 1296 319 175 GLY H H 7.964 0.02 1 1297 319 175 GLY HA2 H 4.018 0.02 2 1298 319 175 GLY HA3 H 3.599 0.02 2 1299 319 175 GLY CA C 45.889 0.2 1 1300 319 175 GLY N N 103.082 0.2 1 1301 320 176 LEU H H 7.920 0.02 1 1302 320 176 LEU HA H 4.509 0.02 1 1303 320 176 LEU HB2 H 1.641 0.02 2 1304 320 176 LEU HB3 H 1.225 0.02 2 1305 320 176 LEU HD1 H 0.840 0.02 4 1306 320 176 LEU HD2 H 0.877 0.02 4 1307 320 176 LEU CB C 45.498 0.2 1 1308 320 176 LEU CD1 C 22.766 0.2 2 1309 320 176 LEU CD2 C 25.986 0.2 2 1310 320 176 LEU N N 118.569 0.2 1 1311 321 177 ASN H H 8.420 0.02 1 1312 321 177 ASN HA H 4.120 0.02 1 1313 321 177 ASN HB2 H 2.998 0.02 2 1314 321 177 ASN HB3 H 2.853 0.02 2 1315 321 177 ASN HD21 H 6.860 0.02 2 1316 321 177 ASN HD22 H 7.604 0.02 2 1317 321 177 ASN CA C 56.760 0.2 1 1318 321 177 ASN CB C 38.533 0.2 1 1319 321 177 ASN N N 116.167 0.2 1 1320 321 177 ASN ND2 N 114.073 0.2 1 1321 322 178 GLY H H 8.824 0.02 1 1322 322 178 GLY HA2 H 4.170 0.02 2 1323 322 178 GLY HA3 H 3.611 0.02 2 1324 322 178 GLY CA C 45.519 0.2 1 1325 322 178 GLY N N 116.881 0.2 1 1326 323 179 MET H H 7.870 0.02 1 1327 323 179 MET HA H 3.996 0.02 1 1328 323 179 MET CA C 56.450 0.2 1 1329 323 179 MET CB C 33.921 0.2 1 1330 323 179 MET CG C 31.846 0.2 1 1331 323 179 MET N N 121.996 0.2 1 1332 324 180 GLN H H 8.589 0.02 1 1333 324 180 GLN CB C 28.755 0.2 1 1334 324 180 GLN CG C 33.391 0.2 1 1335 324 180 GLN N N 126.398 0.2 1 1336 325 181 LEU H H 8.576 0.02 1 1337 325 181 LEU HA H 4.754 0.02 1 1338 325 181 LEU CA C 53.965 0.2 1 1339 325 181 LEU N N 130.561 0.2 1 1340 326 182 GLY H H 8.682 0.02 1 1341 326 182 GLY HA2 H 3.926 0.02 2 1342 326 182 GLY HA3 H 3.608 0.02 2 1343 326 182 GLY CA C 46.819 0.2 1 1344 326 182 GLY N N 114.394 0.2 1 1345 327 183 ASP H H 8.642 0.02 1 1346 327 183 ASP N N 126.117 0.2 1 1347 328 184 LYS H H 7.749 0.02 1 1348 328 184 LYS CA C 54.271 0.2 1 1349 328 184 LYS CB C 34.708 0.2 1 1350 328 184 LYS CG C 24.590 0.2 1 1351 328 184 LYS CD C 28.154 0.2 1 1352 328 184 LYS CE C 42.140 0.2 1 1353 328 184 LYS N N 120.336 0.2 1 1354 329 185 LYS H H 7.782 0.02 1 1355 329 185 LYS CG C 24.927 0.2 1 1356 329 185 LYS CD C 29.560 0.2 1 1357 329 185 LYS CE C 42.136 0.2 1 1358 329 185 LYS N N 119.498 0.2 1 1359 330 186 LEU H H 8.668 0.02 1 1360 330 186 LEU HA H 4.491 0.02 1 1361 330 186 LEU HB2 H 1.963 0.02 2 1362 330 186 LEU HB3 H 1.139 0.02 2 1363 330 186 LEU HG H 0.735 0.02 1 1364 330 186 LEU HD1 H 0.532 0.02 4 1365 330 186 LEU HD2 H 0.679 0.02 4 1366 330 186 LEU CB C 42.430 0.2 1 1367 330 186 LEU CG C 26.007 0.2 1 1368 330 186 LEU CD1 C 23.309 0.2 2 1369 330 186 LEU CD2 C 25.662 0.2 2 1370 330 186 LEU N N 123.424 0.2 1 1371 331 187 LEU H H 8.288 0.02 1 1372 331 187 LEU HA H 4.863 0.02 1 1373 331 187 LEU HB2 H 1.427 0.02 2 1374 331 187 LEU HB3 H 1.427 0.02 2 1375 331 187 LEU HG H 1.348 0.02 1 1376 331 187 LEU HD1 H 0.790 0.02 4 1377 331 187 LEU HD2 H 0.845 0.02 4 1378 331 187 LEU CA C 53.653 0.2 1 1379 331 187 LEU CB C 44.024 0.2 1 1380 331 187 LEU CG C 27.871 0.2 1 1381 331 187 LEU N N 127.349 0.2 1 1382 332 188 VAL H H 8.587 0.02 1 1383 332 188 VAL HA H 5.223 0.02 1 1384 332 188 VAL HB H 1.664 0.02 1 1385 332 188 VAL HG1 H 0.758 0.02 4 1386 332 188 VAL HG2 H 0.794 0.02 4 1387 332 188 VAL CA C 60.798 0.2 1 1388 332 188 VAL CB C 34.084 0.2 1 1389 332 188 VAL CG1 C 21.969 0.2 2 1390 332 188 VAL CG2 C 21.969 0.2 2 1391 332 188 VAL N N 125.314 0.2 1 1392 333 189 GLN H H 8.727 0.02 1 1393 333 189 GLN HA H 4.629 0.02 1 1394 333 189 GLN CA C 53.033 0.2 1 1395 333 189 GLN CG C 31.757 0.2 1 1396 333 189 GLN N N 120.496 0.2 1 1397 334 190 ARG H H 9.044 0.02 1 1398 334 190 ARG CD C 42.725 0.2 1 1399 334 190 ARG N N 122.115 0.2 1 1400 335 191 ALA H H 8.890 0.02 1 1401 335 191 ALA HB H 1.422 0.02 1 1402 335 191 ALA CA C 53.315 0.2 1 1403 335 191 ALA CB C 18.945 0.2 1 1404 335 191 ALA N N 126.635 0.2 1 1405 336 192 SER H H 8.571 0.02 1 1406 336 192 SER CA C 58.169 0.2 1 1407 336 192 SER CB C 62.435 0.2 1 1408 336 192 SER N N 113.431 0.2 1 1409 337 193 VAL H H 7.771 0.02 1 1410 337 193 VAL HB H 1.987 0.02 1 1411 337 193 VAL HG1 H 0.830 0.02 1 1412 337 193 VAL HG2 H 0.830 0.02 1 1413 337 193 VAL CA C 62.876 0.2 1 1414 337 193 VAL CB C 32.406 0.2 1 1415 337 193 VAL CG1 C 21.016 0.2 1 1416 337 193 VAL CG2 C 21.016 0.2 1 1417 337 193 VAL N N 121.758 0.2 1 1418 338 194 GLY H H 8.096 0.02 1 1419 338 194 GLY CA C 45.247 0.2 1 1420 338 194 GLY N N 111.171 0.2 1 1421 339 195 ALA H H 7.886 0.02 1 1422 339 195 ALA HB H 1.170 0.02 1 1423 339 195 ALA CB C 18.991 0.2 1 1424 339 195 ALA N N 123.662 0.2 1 1425 340 196 LYS H H 8.042 0.02 1 1426 340 196 LYS N N 119.773 0.2 1 1427 341 197 ASN H H 8.164 0.02 1 1428 341 197 ASN HD21 H 6.767 0.02 2 1429 341 197 ASN HD22 H 7.472 0.02 2 1430 341 197 ASN CA C 53.509 0.2 1 1431 341 197 ASN CB C 39.186 0.2 1 1432 341 197 ASN N N 119.136 0.2 1 1433 341 197 ASN ND2 N 112.480 0.2 1 1434 342 198 ALA H H 7.741 0.02 1 1435 342 198 ALA HB H 1.210 0.02 1 1436 342 198 ALA N N 129.371 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 43 '43,43,44,44,44' '245,245,245' '264,264,264,265,265,265' '331,331,331,332,332,332' '343,343,343,344,344,353' '360,360,360,361,361,361' '432,432,432' '482,482,482,483,483,483' '572,573,573,573' '646,646,646,647,647,647' '748,748,748' '767,767,767' '814,814,814,815,815,815' '862,862,862,863,863,863' '894,894,894,895,895,895' '937,937,937,938,938,938' '976,976,976,977,977,977' '1021,1021,1021,1022,1022,1022' '1068,1069,1069,1069,1070,1070,1070' '1079,1079,1079,1080,1080,1080' '1208,1208,1208,1209,1209,1209' '1248,1248,1248,1249,1249,1249' '1305,1305,1305,1306,1306,1306' '1364,1364,1364,1365,1365,1365' '1376,1376,1376,1377,1377,1377' '1385,1385,1385,1386,1386,1386' stop_ save_