data_6602 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the GAF A Domain of Phosphodiesterase 5 ; _BMRB_accession_number 6602 _BMRB_flat_file_name bmr6602.str _Entry_type original _Submission_date 2005-04-20 _Accession_date 2005-04-20 _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 Sekharan Monica R. . 2 Rajagopal Ponni . . 3 Klevit Rachel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 117 "13C chemical shifts" 363 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-27 original author . stop_ _Original_release_date 2005-10-27 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N Resonance Assignment of the 46 kDa Dimeric GAF A Domain of Phosphodiesterase 5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16222566 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sekharan Monica R. . 2 Rajagopal Ponni . . 3 Klevit Rachel E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 75 _Year 2005 _Details . loop_ _Keyword 'GAF domain' NMR PDE PDE5 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cGMP-bound PDE5 GAF A domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDE5 GAF A domain' $PDE5_GAF_A_domain cGMP $35G stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PDE5_GAF_A_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '5 GAF A' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 204 _Mol_residue_sequence ; PLTPPRFDSDEVDQCSRLLE LVKDISSHLDVTALCHKIFL HIHGLISADRYSLFLVCEDS SKDKFLISRLFDVAEGSTLE EASNNCIRLEWNKGIVGHVA AFGEPLNIKDAYEDPRFNAE VDQITGYKTQSILCMPIKNH REEVVGVAQAINKKSGNGGT FTEKDEKDFAAYLAFCGIVL HNAQLYETSLLENKRNLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 125 PRO 2 126 LEU 3 127 THR 4 128 PRO 5 129 PRO 6 130 ARG 7 131 PHE 8 132 ASP 9 133 SER 10 134 ASP 11 135 GLU 12 136 VAL 13 137 ASP 14 138 GLN 15 139 CYS 16 140 SER 17 141 ARG 18 142 LEU 19 143 LEU 20 144 GLU 21 145 LEU 22 146 VAL 23 147 LYS 24 148 ASP 25 149 ILE 26 150 SER 27 151 SER 28 152 HIS 29 153 LEU 30 154 ASP 31 155 VAL 32 156 THR 33 157 ALA 34 158 LEU 35 159 CYS 36 160 HIS 37 161 LYS 38 162 ILE 39 163 PHE 40 164 LEU 41 165 HIS 42 166 ILE 43 167 HIS 44 168 GLY 45 169 LEU 46 170 ILE 47 171 SER 48 172 ALA 49 173 ASP 50 174 ARG 51 175 TYR 52 176 SER 53 177 LEU 54 178 PHE 55 179 LEU 56 180 VAL 57 181 CYS 58 182 GLU 59 183 ASP 60 184 SER 61 185 SER 62 186 LYS 63 187 ASP 64 188 LYS 65 189 PHE 66 190 LEU 67 191 ILE 68 192 SER 69 193 ARG 70 194 LEU 71 195 PHE 72 196 ASP 73 197 VAL 74 198 ALA 75 199 GLU 76 200 GLY 77 201 SER 78 202 THR 79 203 LEU 80 204 GLU 81 205 GLU 82 206 ALA 83 207 SER 84 208 ASN 85 209 ASN 86 210 CYS 87 211 ILE 88 212 ARG 89 213 LEU 90 214 GLU 91 215 TRP 92 216 ASN 93 217 LYS 94 218 GLY 95 219 ILE 96 220 VAL 97 221 GLY 98 222 HIS 99 223 VAL 100 224 ALA 101 225 ALA 102 226 PHE 103 227 GLY 104 228 GLU 105 229 PRO 106 230 LEU 107 231 ASN 108 232 ILE 109 233 LYS 110 234 ASP 111 235 ALA 112 236 TYR 113 237 GLU 114 238 ASP 115 239 PRO 116 240 ARG 117 241 PHE 118 242 ASN 119 243 ALA 120 244 GLU 121 245 VAL 122 246 ASP 123 247 GLN 124 248 ILE 125 249 THR 126 250 GLY 127 251 TYR 128 252 LYS 129 253 THR 130 254 GLN 131 255 SER 132 256 ILE 133 257 LEU 134 258 CYS 135 259 MET 136 260 PRO 137 261 ILE 138 262 LYS 139 263 ASN 140 264 HIS 141 265 ARG 142 266 GLU 143 267 GLU 144 268 VAL 145 269 VAL 146 270 GLY 147 271 VAL 148 272 ALA 149 273 GLN 150 274 ALA 151 275 ILE 152 276 ASN 153 277 LYS 154 278 LYS 155 279 SER 156 280 GLY 157 281 ASN 158 282 GLY 159 283 GLY 160 284 THR 161 285 PHE 162 286 THR 163 287 GLU 164 288 LYS 165 289 ASP 166 290 GLU 167 291 LYS 168 292 ASP 169 293 PHE 170 294 ALA 171 295 ALA 172 296 TYR 173 297 LEU 174 298 ALA 175 299 PHE 176 300 CYS 177 301 GLY 178 302 ILE 179 303 VAL 180 304 LEU 181 305 HIS 182 306 ASN 183 307 ALA 184 308 GLN 185 309 LEU 186 310 TYR 187 311 GLU 188 312 THR 189 313 SER 190 314 LEU 191 315 LEU 192 316 GLU 193 317 ASN 194 318 LYS 195 319 ARG 196 320 ASN 197 321 LEU 198 322 GLU 199 323 HIS 200 324 HIS 201 325 HIS 202 326 HIS 203 327 HIS 204 328 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15734 mPDE5_GAFA 86.27 176 98.30 98.86 1.81e-123 PDB 2K31 "Solution Structure Of Cgmp-Binding Gaf Domain Of Phosphodiesterase 5" 86.27 176 98.30 98.86 1.81e-123 DBJ BAA84659 "cGMP-binding cGMP specific phosphodiesterase [Rattus norvegicus]" 55.39 237 97.35 98.23 1.99e-71 DBJ BAA84660 "cGMP-binding cGMP specific phosphodiesterase [Rattus norvegicus]" 70.10 235 97.90 98.60 3.44e-96 DBJ BAC27332 "unnamed protein product [Mus musculus]" 81.86 287 99.40 99.40 3.85e-116 GB AAP31235 "phosphodiesterase isozyme 5 [Homo sapiens]" 85.29 255 97.13 97.70 2.56e-119 stop_ save_ ############# # Ligands # ############# save_35G _Saveframe_category ligand _Mol_type non-polymer _Name_common "35G (GUANOSINE-3',5'-MONOPHOSPHATE)" _BMRB_code . _PDB_code 35G _Molecular_mass 345.205 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:05:56 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOP2 HOP2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O5' ? ? SING P O3' ? ? SING O2P HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDE5_GAF_A_domain 'House Mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PDE5_GAF_A_domain 'recombinant technology' Bacteria Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_cGMP-bound_PDE5_GAF_A_NMR_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_13C-15N_cGMP-bound_PDE5_GAF_A_NMR_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-99% 13C; U-99% 15N]' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_2H-13C-15N_cGMP-bound_PDE5_GAF_A_NMR_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-99% 2H; U-99% 13C; U-98% 15N]' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Ala _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Ala' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Ile _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Ile' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Leu _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Leu' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Val _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Val' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Asp _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Asp' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Glu _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Glu' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Phe _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Phe' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ save_15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Lys _Saveframe_category sample _Sample_type solution _Details '8 samples total - each specifically labeled for one amino acid (Ala, Ile, Leu, Val, Asp, Glu, Phe, and Lys)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDE5_GAF_A_domain 0.7 mM '[U-98% 15N]-Lys' $35G 0.7 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . DTT 10 mM . PMSF 1 mM . 'sodium azide' 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength '500 MHz' _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ ####################### # Sample conditions # ####################### save_Sample_condition_set_1 _Saveframe_category sample_conditions _Details 'This sample condition set was used for all NMR experiments.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 310 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_shift_reference_set _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $Citation_1 $Citation_1 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 $Citation_1 $Citation_1 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $Citation_1 $Citation_1 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_Chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N_cGMP-bound_PDE5_GAF_A_NMR_sample $13C-15N_cGMP-bound_PDE5_GAF_A_NMR_sample $2H-13C-15N_cGMP-bound_PDE5_GAF_A_NMR_sample $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Ala $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Ile $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Leu $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Val $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Asp $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Glu $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Phe $15N_specific_labeled_amino_acid_cGMP-bound_PDE5_GAF_A_NMR_samples_Lys stop_ _Sample_conditions_label $Sample_condition_set_1 _Chem_shift_reference_set_label $Chemical_shift_reference_set _Mol_system_component_name 'PDE5 GAF A domain' _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 1 130 6 ARG C C 174.168 0.2 1 2 131 7 PHE H H 8.62 0.02 1 3 131 7 PHE CA C 57.26 0.2 1 4 131 7 PHE CB C 39.793 0.2 1 5 131 7 PHE N N 119.401 0.065 1 6 132 8 ASP C C 176.016 0.2 1 7 132 8 ASP CA C 54.231 0.2 1 8 132 8 ASP CB C 40.851 0.2 1 9 133 9 SER H H 8.256 0.02 1 10 133 9 SER C C 174.341 0.2 1 11 133 9 SER CA C 58.431 0.2 1 12 133 9 SER CB C 63.622 0.2 1 13 133 9 SER N N 115.024 0.065 1 14 134 10 ASP H H 8.544 0.02 1 15 134 10 ASP C C 175.369 0.2 1 16 134 10 ASP CA C 54.605 0.2 1 17 134 10 ASP CB C 40.896 0.2 1 18 134 10 ASP N N 122.236 0.065 1 19 135 11 GLU H H 8.507 0.02 1 20 135 11 GLU CA C 57.032 0.2 1 21 135 11 GLU CB C 29.468 0.2 1 22 135 11 GLU N N 120.835 0.065 1 23 138 14 GLN C C 175.497 0.2 1 24 138 14 GLN CA C 63.192 0.2 1 25 138 14 GLN CB C 31.502 0.2 1 26 139 15 CYS H H 8.886 0.02 1 27 139 15 CYS C C 177.59 0.2 1 28 139 15 CYS CA C 57.058 0.2 1 29 139 15 CYS CB C 30.631 0.2 1 30 139 15 CYS N N 126.879 0.065 1 31 140 16 SER H H 8.267 0.02 1 32 140 16 SER CA C 63.424 0.2 1 33 140 16 SER CB C 69.065 0.2 1 34 140 16 SER N N 114.082 0.065 1 35 148 24 ASP C C 175.356 0.2 1 36 148 24 ASP CA C 53.652 0.2 1 37 148 24 ASP CB C 38.291 0.2 1 38 149 25 ILE H H 8.213 0.02 1 39 149 25 ILE C C 175.508 0.2 1 40 149 25 ILE CA C 55.477 0.2 1 41 149 25 ILE CB C 41.43 0.2 1 42 149 25 ILE N N 121.713 0.065 1 43 150 26 SER H H 8.299 0.02 1 44 150 26 SER CA C 59.545 0.2 1 45 150 26 SER CB C 69.228 0.2 1 46 150 26 SER N N 117.749 0.065 1 47 160 36 HIS C C 178.618 0.2 1 48 160 36 HIS CA C 59.434 0.2 1 49 160 36 HIS CB C 29.123 0.2 1 50 161 37 LYS H H 7.885 0.02 1 51 161 37 LYS C C 177.67 0.2 1 52 161 37 LYS CA C 59.667 0.2 1 53 161 37 LYS CB C 31.76 0.2 1 54 161 37 LYS N N 118.811 0.065 1 55 162 38 ILE H H 7.84 0.02 1 56 162 38 ILE C C 178.115 0.2 1 57 162 38 ILE CA C 57.862 0.2 1 58 162 38 ILE CB C 40.393 0.2 1 59 162 38 ILE N N 119.23 0.065 1 60 163 39 PHE H H 9.032 0.02 1 61 163 39 PHE CA C 58.337 0.2 1 62 163 39 PHE CB C 38.372 0.2 1 63 163 39 PHE N N 119.984 0.065 1 64 167 43 HIS C C 177.372 0.2 1 65 167 43 HIS CA C 57.197 0.2 1 66 167 43 HIS CB C 29.193 0.2 1 67 168 44 GLY H H 8.491 0.02 1 68 168 44 GLY C C 173.874 0.2 1 69 168 44 GLY CA C 45.611 0.2 1 70 168 44 GLY N N 108.834 0.065 1 71 169 45 LEU H H 7.587 0.02 1 72 169 45 LEU C C 176.23 0.2 1 73 169 45 LEU CA C 56.431 0.2 1 74 169 45 LEU CB C 41.846 0.2 1 75 169 45 LEU N N 119.185 0.065 1 76 170 46 ILE H H 7.718 0.02 1 77 170 46 ILE C C 175.961 0.2 1 78 170 46 ILE CA C 56.643 0.2 1 79 170 46 ILE CB C 42.322 0.2 1 80 170 46 ILE N N 127.089 0.065 1 81 171 47 SER H H 8.067 0.02 1 82 171 47 SER CA C 58.424 0.2 1 83 171 47 SER CB C 70.209 0.2 1 84 171 47 SER N N 114.911 0.065 1 85 174 50 ARG C C 173.255 0.2 1 86 174 50 ARG CA C 52.605 0.2 1 87 174 50 ARG CB C 33.376 0.2 1 88 175 51 TYR H H 8.01 0.02 1 89 175 51 TYR C C 173.703 0.2 1 90 175 51 TYR CA C 55.653 0.2 1 91 175 51 TYR CB C 42.061 0.2 1 92 175 51 TYR N N 115.532 0.065 1 93 176 52 SER H H 9.135 0.02 1 94 176 52 SER CA C 56.335 0.2 1 95 176 52 SER CB C 65.746 0.2 1 96 176 52 SER N N 111.307 0.065 1 97 177 53 LEU C C 174.432 0.2 1 98 178 54 PHE H H 9.924 0.02 1 99 178 54 PHE C C 174.757 0.2 1 100 178 54 PHE CA C 56.375 0.2 1 101 178 54 PHE CB C 41.836 0.2 1 102 178 54 PHE N N 126.328 0.065 1 103 179 55 LEU H H 9.5 0.02 1 104 179 55 LEU C C 176.206 0.2 1 105 179 55 LEU CA C 53.276 0.2 1 106 179 55 LEU CB C 42.385 0.2 1 107 179 55 LEU N N 120.865 0.065 1 108 180 56 VAL H H 7.741 0.02 1 109 180 56 VAL CA C 63.21 0.2 1 110 180 56 VAL CB C 31.404 0.2 1 111 180 56 VAL N N 121.072 0.065 1 112 181 57 CYS C C 174.647 0.2 1 113 182 58 GLU H H 7.849 0.02 1 114 182 58 GLU CA C 54.549 0.2 1 115 182 58 GLU CB C 29.19 0.2 1 116 182 58 GLU N N 118.253 0.065 1 117 184 60 SER C C 175.381 0.2 1 118 185 61 SER H H 8.461 0.02 1 119 185 61 SER C C 173.967 0.2 1 120 185 61 SER CA C 58.558 0.2 1 121 185 61 SER CB C 63.252 0.2 1 122 185 61 SER N N 117.771 0.065 1 123 186 62 LYS H H 8.314 0.02 1 124 186 62 LYS C C 175.508 0.2 1 125 186 62 LYS CA C 57.827 0.2 1 126 186 62 LYS CB C 28.519 0.2 1 127 186 62 LYS N N 114.794 0.065 1 128 187 63 ASP H H 8.145 0.02 1 129 187 63 ASP C C 175.326 0.2 1 130 187 63 ASP CA C 54.528 0.2 1 131 187 63 ASP CB C 41.055 0.2 1 132 187 63 ASP N N 120.759 0.065 1 133 188 64 LYS H H 8.013 0.02 1 134 188 64 LYS C C 175.702 0.2 1 135 188 64 LYS CA C 55.305 0.2 1 136 188 64 LYS CB C 33.956 0.2 1 137 188 64 LYS N N 120.095 0.065 1 138 189 65 PHE H H 8.686 0.02 1 139 189 65 PHE CA C 56.605 0.2 1 140 189 65 PHE CB C 39.835 0.2 1 141 189 65 PHE N N 116.13 0.065 1 142 190 66 LEU H H 9.086 0.02 1 143 190 66 LEU C C 175.86 0.2 1 144 190 66 LEU CA C 53.666 0.2 1 145 190 66 LEU CB C 44.682 0.2 1 146 190 66 LEU N N 119.258 0.065 1 147 191 67 ILE H H 9.053 0.02 1 148 191 67 ILE C C 174.995 0.2 1 149 191 67 ILE CA C 57.522 0.2 1 150 191 67 ILE CB C 41.99 0.2 1 151 191 67 ILE N N 119.121 0.065 1 152 192 68 SER H H 9.081 0.02 1 153 192 68 SER CA C 58.717 0.2 1 154 192 68 SER CB C 62.782 0.2 1 155 192 68 SER N N 123.163 0.065 1 156 194 70 LEU C C 175.653 0.2 1 157 194 70 LEU CA C 53.479 0.2 1 158 194 70 LEU CB C 44.787 0.2 1 159 195 71 PHE H H 8.955 0.02 1 160 195 71 PHE C C 173.311 0.2 1 161 195 71 PHE CA C 58.448 0.2 1 162 195 71 PHE CB C 42.707 0.2 1 163 195 71 PHE N N 122.618 0.065 1 164 196 72 ASP H H 9.121 0.02 1 165 196 72 ASP C C 176.326 0.2 1 166 196 72 ASP CA C 55.628 0.2 1 167 196 72 ASP CB C 38.533 0.2 1 168 196 72 ASP N N 126.491 0.065 1 169 197 73 VAL H H 8.882 0.02 1 170 197 73 VAL CA C 64.968 0.2 1 171 197 73 VAL CB C 30.045 0.2 1 172 197 73 VAL N N 117.525 0.065 1 173 198 74 ALA H H 7.818 0.02 1 174 198 74 ALA CA C 50.032 0.2 1 175 198 74 ALA CB C 22.04 0.2 1 176 198 74 ALA N N 127.104 0.065 1 177 200 76 GLY C C 174.649 0.2 1 178 200 76 GLY CA C 45.57 0.2 1 179 201 77 SER H H 8.143 0.02 1 180 201 77 SER C C 175.511 0.2 1 181 201 77 SER CA C 58.828 0.2 1 182 201 77 SER CB C 64.189 0.2 1 183 201 77 SER N N 115.896 0.065 1 184 202 78 THR H H 8.862 0.02 1 185 202 78 THR C C 175.127 0.2 1 186 202 78 THR CA C 60.332 0.2 1 187 202 78 THR CB C 71.183 0.2 1 188 202 78 THR N N 114.908 0.065 1 189 203 79 LEU H H 8.802 0.02 1 190 203 79 LEU C C 179.185 0.2 1 191 203 79 LEU CA C 57.645 0.2 1 192 203 79 LEU CB C 40.205 0.2 1 193 203 79 LEU N N 122.87 0.065 1 194 204 80 GLU H H 8.92 0.02 1 195 204 80 GLU C C 178.755 0.2 1 196 204 80 GLU CA C 60.151 0.2 1 197 204 80 GLU CB C 28.205 0.2 1 198 204 80 GLU N N 118.705 0.065 1 199 205 81 GLU H H 7.676 0.02 1 200 205 81 GLU CA C 58.506 0.2 1 201 205 81 GLU CB C 28.945 0.2 1 202 205 81 GLU N N 117.822 0.065 1 203 206 82 ALA H H 8.043 0.02 1 204 206 82 ALA C C 173.485 0.2 1 205 206 82 ALA CA C 52.945 0.2 1 206 206 82 ALA CB C 20.109 0.2 1 207 206 82 ALA N N 119.468 0.065 1 208 207 83 SER H H 7.741 0.02 1 209 207 83 SER C C 174.495 0.2 1 210 207 83 SER CA C 57.986 0.2 1 211 207 83 SER CB C 64.26 0.2 1 212 207 83 SER N N 110.329 0.065 1 213 208 84 ASN H H 7.617 0.02 1 214 208 84 ASN C C 174.769 0.2 1 215 208 84 ASN CA C 53.979 0.2 1 216 208 84 ASN CB C 39.037 0.2 1 217 208 84 ASN N N 121.423 0.065 1 218 209 85 ASN H H 8.226 0.02 1 219 209 85 ASN CA C 52.466 0.2 1 220 209 85 ASN CB C 39.033 0.2 1 221 209 85 ASN N N 119.169 0.065 1 222 210 86 CYS C C 173.496 0.2 1 223 210 86 CYS CA C 58.396 0.2 1 224 210 86 CYS CB C 27.182 0.2 1 225 211 87 ILE H H 8.394 0.02 1 226 211 87 ILE C C 173.709 0.2 1 227 211 87 ILE CA C 59.74 0.2 1 228 211 87 ILE CB C 37.913 0.2 1 229 211 87 ILE N N 126.487 0.065 1 230 212 88 ARG H H 8.328 0.02 1 231 212 88 ARG C C 175.278 0.2 1 232 212 88 ARG CA C 54.34 0.2 1 233 212 88 ARG CB C 31.397 0.2 1 234 212 88 ARG N N 127.229 0.065 1 235 213 89 LEU H H 9.517 0.02 1 236 213 89 LEU CA C 52.931 0.2 1 237 213 89 LEU CB C 44.889 0.2 1 238 213 89 LEU N N 126.892 0.065 1 239 214 90 GLU H H 8.554 0.02 1 240 214 90 GLU C C 175.513 0.2 1 241 214 90 GLU CA C 55.9 0.2 1 242 214 90 GLU CB C 29.66 0.2 1 243 214 90 GLU N N 117.782 0.065 1 244 215 91 TRP H H 8.732 0.02 1 245 215 91 TRP C C 176.651 0.2 1 246 215 91 TRP CA C 57.857 0.2 1 247 215 91 TRP CB C 29.524 0.2 1 248 215 91 TRP N N 120.216 0.065 1 249 216 92 ASN H H 8.105 0.02 1 250 216 92 ASN C C 173.833 0.2 1 251 216 92 ASN CA C 53.951 0.2 1 252 216 92 ASN CB C 38.032 0.2 1 253 216 92 ASN N N 117.948 0.065 1 254 217 93 LYS H H 7.456 0.02 1 255 217 93 LYS C C 177.339 0.2 1 256 217 93 LYS CA C 55.603 0.2 1 257 217 93 LYS CB C 33.658 0.2 1 258 217 93 LYS N N 118.293 0.065 1 259 218 94 GLY H H 8.765 0.02 1 260 218 94 GLY C C 174.649 0.2 1 261 218 94 GLY CA C 45.823 0.2 1 262 218 94 GLY N N 111.887 0.065 1 263 219 95 ILE H H 10.38 0.02 1 264 219 95 ILE C C 179.523 0.2 1 265 219 95 ILE CA C 63.728 0.2 1 266 219 95 ILE CB C 33.64 0.2 1 267 219 95 ILE N N 125.808 0.065 1 268 220 96 VAL H H 9.686 0.02 1 269 220 96 VAL C C 175.744 0.2 1 270 220 96 VAL CA C 64.1 0.2 1 271 220 96 VAL CB C 29.824 0.2 1 272 220 96 VAL N N 119.028 0.065 1 273 221 97 GLY H H 6.953 0.02 1 274 221 97 GLY C C 176.643 0.2 1 275 221 97 GLY CA C 45.759 0.2 1 276 221 97 GLY N N 108.004 0.065 1 277 222 98 HIS H H 8.266 0.02 1 278 222 98 HIS C C 177.649 0.2 1 279 222 98 HIS CA C 60.623 0.2 1 280 222 98 HIS CB C 29.347 0.2 1 281 222 98 HIS N N 124.96 0.065 1 282 223 99 VAL H H 8.38 0.02 1 283 223 99 VAL C C 178.643 0.2 1 284 223 99 VAL CA C 66.596 0.2 1 285 223 99 VAL CB C 30.664 0.2 1 286 223 99 VAL N N 119.982 0.065 1 287 224 100 ALA H H 8.101 0.02 1 288 224 100 ALA C C 176.957 0.2 1 289 224 100 ALA CA C 54.404 0.2 1 290 224 100 ALA CB C 17.626 0.2 1 291 224 100 ALA N N 119.526 0.065 1 292 225 101 ALA H H 7.392 0.02 1 293 225 101 ALA C C 179.381 0.2 1 294 225 101 ALA CA C 53.963 0.2 1 295 225 101 ALA CB C 17.782 0.2 1 296 225 101 ALA N N 114.997 0.065 1 297 226 102 PHE H H 8.347 0.02 1 298 226 102 PHE C C 177.955 0.2 1 299 226 102 PHE CA C 58.809 0.2 1 300 226 102 PHE CB C 38.813 0.2 1 301 226 102 PHE N N 113.537 0.065 1 302 227 103 GLY H H 8.634 0.02 1 303 227 103 GLY C C 172.44 0.2 1 304 227 103 GLY CA C 46.878 0.2 1 305 227 103 GLY N N 108.064 0.065 1 306 228 104 GLU H H 7.32 0.02 1 307 228 104 GLU CA C 54.375 0.2 1 308 228 104 GLU CB C 29.438 0.2 1 309 228 104 GLU N N 117.499 0.065 1 310 229 105 PRO C C 175.556 0.2 1 311 229 105 PRO CA C 62.438 0.2 1 312 229 105 PRO CB C 33.129 0.2 1 313 230 106 LEU H H 8.676 0.02 1 314 230 106 LEU C C 174.223 0.2 1 315 230 106 LEU CA C 54.122 0.2 1 316 230 106 LEU CB C 46.349 0.2 1 317 230 106 LEU N N 117.917 0.065 1 318 231 107 ASN H H 8.497 0.02 1 319 231 107 ASN C C 174.866 0.2 1 320 231 107 ASN CA C 51.345 0.2 1 321 231 107 ASN CB C 38.66 0.2 1 322 231 107 ASN N N 120.899 0.065 1 323 232 108 ILE H H 9.756 0.02 1 324 232 108 ILE C C 177.248 0.2 1 325 232 108 ILE CA C 57.617 0.2 1 326 232 108 ILE CB C 38.016 0.2 1 327 232 108 ILE N N 124.792 0.065 1 328 233 109 LYS H H 9.103 0.02 1 329 233 109 LYS C C 175.3 0.2 1 330 233 109 LYS CA C 59.161 0.2 1 331 233 109 LYS CB C 32.1 0.2 1 332 233 109 LYS N N 130.218 0.065 1 333 234 110 ASP H H 7.487 0.02 1 334 234 110 ASP C C 176.983 0.2 1 335 234 110 ASP CA C 52.816 0.2 1 336 234 110 ASP CB C 40.827 0.2 1 337 234 110 ASP N N 114.909 0.065 1 338 235 111 ALA H H 9.608 0.02 1 339 235 111 ALA C C 177.247 0.2 1 340 235 111 ALA CA C 55.989 0.2 1 341 235 111 ALA CB C 16.237 0.2 1 342 235 111 ALA N N 130.904 0.065 1 343 236 112 TYR H H 8.002 0.02 1 344 236 112 TYR C C 177.681 0.2 1 345 236 112 TYR CA C 61.59 0.2 1 346 236 112 TYR CB C 36.779 0.2 1 347 236 112 TYR N N 110.264 0.065 1 348 237 113 GLU H H 7.626 0.02 1 349 237 113 GLU C C 175.848 0.2 1 350 237 113 GLU CA C 55.533 0.2 1 351 237 113 GLU CB C 29.801 0.2 1 352 237 113 GLU N N 116.841 0.065 1 353 238 114 ASP H H 8.032 0.02 1 354 238 114 ASP CA C 51.572 0.2 1 355 238 114 ASP CB C 44.204 0.2 1 356 238 114 ASP N N 124.068 0.065 1 357 239 115 PRO C C 177.33 0.2 1 358 240 116 ARG H H 9.255 0.02 1 359 240 116 ARG C C 176.312 0.2 1 360 240 116 ARG CA C 56.312 0.2 1 361 240 116 ARG CB C 30.189 0.2 1 362 240 116 ARG N N 117.881 0.065 1 363 241 117 PHE H H 7.435 0.02 1 364 241 117 PHE C C 174.82 0.2 1 365 241 117 PHE CA C 56.989 0.2 1 366 241 117 PHE CB C 40.645 0.2 1 367 241 117 PHE N N 117.597 0.065 1 368 242 118 ASN H H 8.886 0.02 1 369 242 118 ASN C C 176.162 0.2 1 370 242 118 ASN CA C 50.799 0.2 1 371 242 118 ASN CB C 37.863 0.2 1 372 242 118 ASN N N 127.734 0.065 1 373 243 119 ALA H H 7.96 0.02 1 374 243 119 ALA C C 177.623 0.2 1 375 243 119 ALA CA C 52.841 0.2 1 376 243 119 ALA CB C 17.84 0.2 1 377 243 119 ALA N N 125.271 0.065 1 378 244 120 GLU H H 7.761 0.02 1 379 244 120 GLU C C 178.505 0.2 1 380 244 120 GLU CA C 59.029 0.2 1 381 244 120 GLU CB C 29.23 0.2 1 382 244 120 GLU N N 115.675 0.065 1 383 245 121 VAL H H 6.777 0.02 1 384 245 121 VAL C C 178.196 0.2 1 385 245 121 VAL CA C 67.323 0.2 1 386 245 121 VAL CB C 29.386 0.2 1 387 245 121 VAL N N 118.102 0.065 1 388 246 122 ASP H H 9.798 0.02 1 389 246 122 ASP C C 179.869 0.2 1 390 246 122 ASP CA C 56.977 0.2 1 391 246 122 ASP CB C 39.697 0.2 1 392 246 122 ASP N N 124.72 0.065 1 393 247 123 GLN H H 7.717 0.02 1 394 247 123 GLN C C 178.315 0.2 1 395 247 123 GLN CA C 58.677 0.2 1 396 247 123 GLN CB C 27.543 0.2 1 397 247 123 GLN N N 116.41 0.065 1 398 248 124 ILE H H 8.03 0.02 1 399 248 124 ILE C C 178.666 0.2 1 400 248 124 ILE CA C 63.763 0.2 1 401 248 124 ILE CB C 38.375 0.2 1 402 248 124 ILE N N 118.772 0.065 1 403 249 125 THR H H 9.348 0.02 1 404 249 125 THR C C 177.959 0.2 1 405 249 125 THR CA C 63.506 0.2 1 406 249 125 THR CB C 70.237 0.2 1 407 249 125 THR N N 111.315 0.065 1 408 250 126 GLY H H 8.682 0.02 1 409 250 126 GLY C C 173.223 0.2 1 410 250 126 GLY CA C 45.742 0.2 1 411 250 126 GLY N N 111.762 0.065 1 412 251 127 TYR H H 8.569 0.02 1 413 251 127 TYR C C 172.592 0.2 1 414 251 127 TYR CA C 57.837 0.2 1 415 251 127 TYR CB C 39.783 0.2 1 416 251 127 TYR N N 125.35 0.065 1 417 252 128 LYS H H 6.386 0.02 1 418 252 128 LYS C C 174.992 0.2 1 419 252 128 LYS CA C 53.869 0.2 1 420 252 128 LYS CB C 32.384 0.2 1 421 252 128 LYS N N 122.757 0.065 1 422 253 129 THR H H 11.106 0.02 1 423 253 129 THR C C 172.917 0.2 1 424 253 129 THR CA C 65.882 0.2 1 425 253 129 THR CB C 67.671 0.2 1 426 253 129 THR N N 130.501 0.065 1 427 254 130 GLN H H 10.073 0.02 1 428 254 130 GLN C C 173.96 0.2 1 429 254 130 GLN CA C 57.143 0.2 1 430 254 130 GLN CB C 29.687 0.2 1 431 254 130 GLN N N 127.181 0.065 1 432 255 131 SER H H 8.198 0.02 1 433 255 131 SER C C 174.821 0.2 1 434 255 131 SER CA C 55.795 0.2 1 435 255 131 SER CB C 65.167 0.2 1 436 255 131 SER N N 111.483 0.065 1 437 256 132 ILE H H 8.812 0.02 1 438 256 132 ILE C C 173.038 0.2 1 439 256 132 ILE CA C 60.769 0.2 1 440 256 132 ILE CB C 43.845 0.2 1 441 256 132 ILE N N 118.509 0.065 1 442 257 133 LEU H H 9.012 0.02 1 443 257 133 LEU C C 174.668 0.2 1 444 257 133 LEU CA C 53.375 0.2 1 445 257 133 LEU CB C 42.332 0.2 1 446 257 133 LEU N N 128.77 0.065 1 447 258 134 CYS H H 9.389 0.02 1 448 258 134 CYS C C 172.588 0.2 1 449 258 134 CYS CA C 56.658 0.2 1 450 258 134 CYS CB C 28.575 0.2 1 451 258 134 CYS N N 127.29 0.065 1 452 259 135 MET H H 9.178 0.02 1 453 259 135 MET CA C 51.727 0.2 1 454 259 135 MET CB C 34.84 0.2 1 455 259 135 MET N N 125.403 0.065 1 456 261 137 ILE C C 175.147 0.2 1 457 261 137 ILE CA C 60.709 0.2 1 458 261 137 ILE CB C 38.727 0.2 1 459 262 138 LYS H H 8.749 0.02 1 460 262 138 LYS C C 176.447 0.2 1 461 262 138 LYS CA C 54.446 0.2 1 462 262 138 LYS CB C 35.448 0.2 1 463 262 138 LYS N N 125.951 0.065 1 464 263 139 ASN H H 8.43 0.02 1 465 263 139 ASN CA C 50.592 0.2 1 466 263 139 ASN CB C 38.971 0.2 1 467 263 139 ASN N N 117.298 0.065 1 468 266 142 GLU C C 175.619 0.2 1 469 266 142 GLU CA C 58.497 0.2 1 470 266 142 GLU CB C 28.752 0.2 1 471 267 143 GLU H H 7.279 0.02 1 472 267 143 GLU C C 176.61 0.2 1 473 267 143 GLU CA C 55.09 0.2 1 474 267 143 GLU CB C 29.111 0.2 1 475 267 143 GLU N N 118.962 0.065 1 476 268 144 VAL H H 9.002 0.02 1 477 268 144 VAL C C 176.449 0.2 1 478 268 144 VAL CA C 64.128 0.2 1 479 268 144 VAL CB C 30.511 0.2 1 480 268 144 VAL N N 122.634 0.065 1 481 269 145 VAL H H 9.019 0.02 1 482 269 145 VAL C C 176.394 0.2 1 483 269 145 VAL CA C 61.285 0.2 1 484 269 145 VAL CB C 31.86 0.2 1 485 269 145 VAL N N 121.225 0.065 1 486 270 146 GLY H H 8.246 0.02 1 487 270 146 GLY C C 169.853 0.2 1 488 270 146 GLY CA C 45.231 0.2 1 489 270 146 GLY N N 108.303 0.065 1 490 271 147 VAL H H 9.78 0.02 1 491 271 147 VAL C C 173.004 0.2 1 492 271 147 VAL CA C 61.435 0.2 1 493 271 147 VAL CB C 35.756 0.2 1 494 271 147 VAL N N 118.679 0.065 1 495 272 148 ALA H H 9.201 0.02 1 496 272 148 ALA C C 176.531 0.2 1 497 272 148 ALA CA C 49.89 0.2 1 498 272 148 ALA CB C 24.138 0.2 1 499 272 148 ALA N N 128.665 0.065 1 500 273 149 GLN H H 9.383 0.02 1 501 273 149 GLN C C 173.578 0.2 1 502 273 149 GLN CA C 55.426 0.2 1 503 273 149 GLN CB C 31.858 0.2 1 504 273 149 GLN N N 119.289 0.065 1 505 274 150 ALA H H 8.757 0.02 1 506 274 150 ALA C C 175.179 0.2 1 507 274 150 ALA CA C 50.092 0.2 1 508 274 150 ALA CB C 20.636 0.2 1 509 274 150 ALA N N 123.222 0.065 1 510 275 151 ILE H H 8.822 0.02 1 511 275 151 ILE C C 175.537 0.2 1 512 275 151 ILE CA C 58.923 0.2 1 513 275 151 ILE CB C 38.989 0.2 1 514 275 151 ILE N N 121.328 0.065 1 515 276 152 ASN H H 9.455 0.02 1 516 276 152 ASN C C 173.218 0.2 1 517 276 152 ASN CA C 53.539 0.2 1 518 276 152 ASN CB C 34.842 0.2 1 519 276 152 ASN N N 121.278 0.065 1 520 277 153 LYS H H 6.656 0.02 1 521 277 153 LYS C C 176.543 0.2 1 522 277 153 LYS CA C 56.394 0.2 1 523 277 153 LYS CB C 30.748 0.2 1 524 277 153 LYS N N 123.391 0.065 1 525 278 154 LYS H H 8.93 0.02 1 526 278 154 LYS CA C 56.316 0.2 1 527 278 154 LYS CB C 31.157 0.2 1 528 278 154 LYS N N 128.289 0.065 1 529 279 155 SER H H 8.097 0.02 1 530 279 155 SER CA C 57.886 0.2 1 531 279 155 SER CB C 63.939 0.2 1 532 279 155 SER N N 115.469 0.065 1 533 280 156 GLY C C 172.961 0.2 1 534 281 157 ASN H H 8.061 0.02 1 535 281 157 ASN CA C 53.802 0.2 1 536 281 157 ASN CB C 39.315 0.2 1 537 281 157 ASN N N 123.647 0.065 1 538 282 158 GLY C C 174.92 0.2 1 539 283 159 GLY H H 8.089 0.02 1 540 283 159 GLY C C 173.485 0.2 1 541 283 159 GLY CA C 45.556 0.2 1 542 283 159 GLY N N 107.293 0.065 1 543 284 160 THR H H 7.728 0.02 1 544 284 160 THR CA C 59.894 0.2 1 545 284 160 THR CB C 69.519 0.2 1 546 284 160 THR N N 110.541 0.065 1 547 285 161 PHE H H 8.358 0.02 1 548 285 161 PHE C C 177.542 0.2 1 549 285 161 PHE CA C 59.539 0.2 1 550 285 161 PHE CB C 37.824 0.2 1 551 285 161 PHE N N 118.997 0.065 1 552 286 162 THR H H 9.779 0.02 1 553 286 162 THR C C 175.355 0.2 1 554 286 162 THR CA C 60.442 0.2 1 555 286 162 THR CB C 71.985 0.2 1 556 286 162 THR N N 116.543 0.065 1 557 287 163 GLU H H 8.981 0.02 1 558 287 163 GLU C C 178.753 0.2 1 559 287 163 GLU CA C 59.504 0.2 1 560 287 163 GLU CB C 28.503 0.2 1 561 287 163 GLU N N 119.283 0.065 1 562 288 164 LYS H H 8.041 0.02 1 563 288 164 LYS C C 176.118 0.2 1 564 288 164 LYS CA C 55.362 0.2 1 565 288 164 LYS CB C 31.65 0.2 1 566 288 164 LYS N N 120.788 0.065 1 567 289 165 ASP H H 8.7 0.02 1 568 289 165 ASP CA C 52.646 0.2 1 569 289 165 ASP CB C 41.947 0.2 1 570 289 165 ASP N N 123.544 0.065 1 571 307 183 ALA C C 171.566 0.2 1 572 307 183 ALA CA C 57.055 0.2 1 573 307 183 ALA CB C 17.783 0.2 1 574 308 184 GLN H H 8.192 0.02 1 575 308 184 GLN C C 176.449 0.2 1 576 308 184 GLN CA C 54.403 0.2 1 577 308 184 GLN CB C 32.344 0.2 1 578 308 184 GLN N N 119.395 0.065 1 579 309 185 LEU H H 7.803 0.02 1 580 309 185 LEU CA C 53.518 0.2 1 581 309 185 LEU CB C 45.09 0.2 1 582 309 185 LEU N N 115.28 0.065 1 583 313 189 SER C C 175.263 0.2 1 584 314 190 LEU H H 8.089 0.02 1 585 314 190 LEU C C 177.913 0.2 1 586 314 190 LEU CA C 56.052 0.2 1 587 314 190 LEU CB C 41.26 0.2 1 588 314 190 LEU N N 122.638 0.065 1 589 315 191 LEU H H 8.013 0.02 1 590 315 191 LEU C C 177.952 0.2 1 591 315 191 LEU CA C 55.887 0.2 1 592 315 191 LEU CB C 41.26 0.2 1 593 315 191 LEU N N 120.095 0.065 1 594 316 192 GLU H H 8.237 0.02 1 595 316 192 GLU CA C 57.104 0.2 1 596 316 192 GLU CB C 29.423 0.2 1 597 316 192 GLU N N 119.632 0.065 1 stop_ save_