data_18609 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts of Ecoli GGBP sugar bound ; _BMRB_accession_number 18609 _BMRB_flat_file_name bmr18609.str _Entry_type original _Submission_date 2012-07-23 _Accession_date 2012-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of backbone chemical shifts of Ecoli glucose bound Glucose/Galactose Binding Protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Millet Oscar . . 2 Castano David . . 3 Ortega Gabriel . . 4 Diercks Tammo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 257 "13C chemical shifts" 495 "15N chemical shifts" 257 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18597 'Ecoli RBP sugar free backbone assignment' 18601 'Ecoli GGBP sugar free backbone assignment' 18603 'Ecoli RBP sugar backbone assignment' stop_ _Original_release_date 2014-04-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Carbohydrate affinity for the glucose-galactose binding protein is regulated by allosteric domain motions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23148479 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega Gabriel . . 2 Castano David . . 3 Diercks Tammo . . 4 Millet Oscar . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 48 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19869 _Page_last 19876 _Year 2012 _Details . loop_ _Keyword 'Domain motion' 'Functional dynamics' Glucose 'Periplasmic Binding Protein' 'Solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GGBP - Glucose' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GGBP $GGBP Glucose $entity_BGC stop_ _System_molecular_weight 30000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GGBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GGBP _Molecular_mass 30000 _Mol_thiol_state 'not reported' loop_ _Biological_function 'First receptor in the chemotactic response' 'Sugar binding causes closure of the two domains of the protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 310 _Mol_residue_sequence ; MADTRIGVTIYKYDDNFMSV VRKAIEQDAKAAPDVQLLMN DSQNDQSKQNDQIDVLLAKG VKALAINLVDPAAAGTVIEK ARGQNVPVVFFNKEPSRKAL DSYDKAYYVGTDSKESGIIQ GDLIAKHWAANQGWDLNKDG QIQFVLLKGEPGHPDAEART TYVIKELNDKGIKTEQLQLD TAMWDTAQAKDKMDAWLSGP NANKIEVVIANNDAMAMGAV EALKAHNKSSIPVFGVDALP EALALVKSGALAGTVLNDAN NQAKATFDLAKNLADGKGAA DGTNWKIDNKVVRVPYVGVD KDNLAEFSKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ALA 3 2 ASP 4 3 THR 5 4 ARG 6 5 ILE 7 6 GLY 8 7 VAL 9 8 THR 10 9 ILE 11 10 TYR 12 11 LYS 13 12 TYR 14 13 ASP 15 14 ASP 16 15 ASN 17 16 PHE 18 17 MET 19 18 SER 20 19 VAL 21 20 VAL 22 21 ARG 23 22 LYS 24 23 ALA 25 24 ILE 26 25 GLU 27 26 GLN 28 27 ASP 29 28 ALA 30 29 LYS 31 30 ALA 32 31 ALA 33 32 PRO 34 33 ASP 35 34 VAL 36 35 GLN 37 36 LEU 38 37 LEU 39 38 MET 40 39 ASN 41 40 ASP 42 41 SER 43 42 GLN 44 43 ASN 45 44 ASP 46 45 GLN 47 46 SER 48 47 LYS 49 48 GLN 50 49 ASN 51 50 ASP 52 51 GLN 53 52 ILE 54 53 ASP 55 54 VAL 56 55 LEU 57 56 LEU 58 57 ALA 59 58 LYS 60 59 GLY 61 60 VAL 62 61 LYS 63 62 ALA 64 63 LEU 65 64 ALA 66 65 ILE 67 66 ASN 68 67 LEU 69 68 VAL 70 69 ASP 71 70 PRO 72 71 ALA 73 72 ALA 74 73 ALA 75 74 GLY 76 75 THR 77 76 VAL 78 77 ILE 79 78 GLU 80 79 LYS 81 80 ALA 82 81 ARG 83 82 GLY 84 83 GLN 85 84 ASN 86 85 VAL 87 86 PRO 88 87 VAL 89 88 VAL 90 89 PHE 91 90 PHE 92 91 ASN 93 92 LYS 94 93 GLU 95 94 PRO 96 95 SER 97 96 ARG 98 97 LYS 99 98 ALA 100 99 LEU 101 100 ASP 102 101 SER 103 102 TYR 104 103 ASP 105 104 LYS 106 105 ALA 107 106 TYR 108 107 TYR 109 108 VAL 110 109 GLY 111 110 THR 112 111 ASP 113 112 SER 114 113 LYS 115 114 GLU 116 115 SER 117 116 GLY 118 117 ILE 119 118 ILE 120 119 GLN 121 120 GLY 122 121 ASP 123 122 LEU 124 123 ILE 125 124 ALA 126 125 LYS 127 126 HIS 128 127 TRP 129 128 ALA 130 129 ALA 131 130 ASN 132 131 GLN 133 132 GLY 134 133 TRP 135 134 ASP 136 135 LEU 137 136 ASN 138 137 LYS 139 138 ASP 140 139 GLY 141 140 GLN 142 141 ILE 143 142 GLN 144 143 PHE 145 144 VAL 146 145 LEU 147 146 LEU 148 147 LYS 149 148 GLY 150 149 GLU 151 150 PRO 152 151 GLY 153 152 HIS 154 153 PRO 155 154 ASP 156 155 ALA 157 156 GLU 158 157 ALA 159 158 ARG 160 159 THR 161 160 THR 162 161 TYR 163 162 VAL 164 163 ILE 165 164 LYS 166 165 GLU 167 166 LEU 168 167 ASN 169 168 ASP 170 169 LYS 171 170 GLY 172 171 ILE 173 172 LYS 174 173 THR 175 174 GLU 176 175 GLN 177 176 LEU 178 177 GLN 179 178 LEU 180 179 ASP 181 180 THR 182 181 ALA 183 182 MET 184 183 TRP 185 184 ASP 186 185 THR 187 186 ALA 188 187 GLN 189 188 ALA 190 189 LYS 191 190 ASP 192 191 LYS 193 192 MET 194 193 ASP 195 194 ALA 196 195 TRP 197 196 LEU 198 197 SER 199 198 GLY 200 199 PRO 201 200 ASN 202 201 ALA 203 202 ASN 204 203 LYS 205 204 ILE 206 205 GLU 207 206 VAL 208 207 VAL 209 208 ILE 210 209 ALA 211 210 ASN 212 211 ASN 213 212 ASP 214 213 ALA 215 214 MET 216 215 ALA 217 216 MET 218 217 GLY 219 218 ALA 220 219 VAL 221 220 GLU 222 221 ALA 223 222 LEU 224 223 LYS 225 224 ALA 226 225 HIS 227 226 ASN 228 227 LYS 229 228 SER 230 229 SER 231 230 ILE 232 231 PRO 233 232 VAL 234 233 PHE 235 234 GLY 236 235 VAL 237 236 ASP 238 237 ALA 239 238 LEU 240 239 PRO 241 240 GLU 242 241 ALA 243 242 LEU 244 243 ALA 245 244 LEU 246 245 VAL 247 246 LYS 248 247 SER 249 248 GLY 250 249 ALA 251 250 LEU 252 251 ALA 253 252 GLY 254 253 THR 255 254 VAL 256 255 LEU 257 256 ASN 258 257 ASP 259 258 ALA 260 259 ASN 261 260 ASN 262 261 GLN 263 262 ALA 264 263 LYS 265 264 ALA 266 265 THR 267 266 PHE 268 267 ASP 269 268 LEU 270 269 ALA 271 270 LYS 272 271 ASN 273 272 LEU 274 273 ALA 275 274 ASP 276 275 GLY 277 276 LYS 278 277 GLY 279 278 ALA 280 279 ALA 281 280 ASP 282 281 GLY 283 282 THR 284 283 ASN 285 284 TRP 286 285 LYS 287 286 ILE 288 287 ASP 289 288 ASN 290 289 LYS 291 290 VAL 292 291 VAL 293 292 ARG 294 293 VAL 295 294 PRO 296 295 TYR 297 296 VAL 298 297 GLY 299 298 VAL 300 299 ASP 301 300 LYS 302 301 ASP 303 302 ASN 304 303 LEU 305 304 ALA 306 305 GLU 307 306 PHE 308 307 SER 309 308 LYS 310 309 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 18601 GGBP_unbound 100.00 310 100.00 100.00 0.00e+00 PDB 1GLG "Crystallographic Analysis Of The Epimeric And Anomeric Specificity Of The Periplasmic Transport(Slash)chemotactic Protein Recep" 99.68 309 100.00 100.00 0.00e+00 PDB 2FVY "High Resolution Glucose Bound Crystal Structure Of Ggbp" 99.68 309 100.00 100.00 0.00e+00 PDB 2FW0 "Apo Open Form Of Glucose/galactose Binding Protein" 99.68 309 100.00 100.00 0.00e+00 PDB 2GBP "Sugar And Signal-Transducer Binding Sites Of The Escherichia Coli Galactose Chemoreceptor Protein" 99.68 309 100.00 100.00 0.00e+00 PDB 2HPH "High Resolution Structure Of E. Coli GlucoseGALACTOSE Binding Protein Bound With Glucose" 100.00 316 100.00 100.00 0.00e+00 PDB 2IPL "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" 100.00 318 99.35 99.35 0.00e+00 PDB 2IPM "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" 100.00 318 99.35 99.35 0.00e+00 PDB 2IPN "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" 100.00 318 99.35 99.35 0.00e+00 PDB 2QW1 "GlucoseGALACTOSE BINDING PROTEIN BOUND TO 3-O-Methyl D-Glucose" 99.68 309 100.00 100.00 0.00e+00 DBJ BAB36465 "galactose-binding transport protein [Escherichia coli O157:H7 str. Sakai]" 99.68 332 100.00 100.00 0.00e+00 DBJ BAE76627 "methyl-galactoside transporter subunit [Escherichia coli str. K12 substr. W3110]" 99.68 332 100.00 100.00 0.00e+00 DBJ BAG77941 "methyl-galactoside ABC transporter substrate binding component [Escherichia coli SE11]" 99.68 332 100.00 100.00 0.00e+00 DBJ BAI26274 "galactose-binding transport protein MglB [Escherichia coli O26:H11 str. 11368]" 99.68 332 100.00 100.00 0.00e+00 DBJ BAI31400 "galactose-binding transport protein MglB [Escherichia coli O103:H2 str. 12009]" 99.68 332 100.00 100.00 0.00e+00 EMBL CAA29132 "GBP(mg1B) [Escherichia coli]" 99.68 332 100.00 100.00 0.00e+00 EMBL CAP76652 "D-galactose-binding periplasmic protein [Escherichia coli LF82]" 99.68 332 100.00 100.00 0.00e+00 EMBL CAQ89737 "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia fergusonii ATCC 35469]" 99.68 332 100.00 100.00 0.00e+00 EMBL CAQ99072 "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli IAI1]" 99.68 332 100.00 100.00 0.00e+00 EMBL CAR03578 "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli S88]" 99.68 332 100.00 100.00 0.00e+00 GB AAA24169 "galactoside binding protein [Escherichia coli]" 99.68 332 100.00 100.00 0.00e+00 GB AAA60523 "D-galactose periplasmic binding protein [Escherichia coli]" 99.68 332 100.00 100.00 0.00e+00 GB AAC75211 "methyl-galactoside transporter subunit [Escherichia coli str. K-12 substr. MG1655]" 99.68 332 100.00 100.00 0.00e+00 GB AAG57288 "galactose-binding transport protein; receptor for galactose taxis [Escherichia coli O157:H7 str. EDL933]" 99.68 332 100.00 100.00 0.00e+00 GB AAN43756 "galactose-binding transport protein; receptor for galactose taxis [Shigella flexneri 2a str. 301]" 99.68 332 100.00 100.00 0.00e+00 PRF 2014253AU "mglB gene" 99.68 332 100.00 100.00 0.00e+00 REF NP_311069 "galactose-binding transport protein [Escherichia coli O157:H7 str. Sakai]" 99.68 332 100.00 100.00 0.00e+00 REF NP_416655 "methyl-galactoside transporter subunit [Escherichia coli str. K-12 substr. MG1655]" 99.68 332 100.00 100.00 0.00e+00 REF NP_708049 "methyl-galactoside ABC transporter substrate-binding protein MglB [Shigella flexneri 2a str. 301]" 99.68 332 100.00 100.00 0.00e+00 REF WP_001035789 "galactose ABC transporter substrate-binding protein [Escherichia coli]" 99.68 332 100.00 100.00 0.00e+00 REF WP_001036935 "galactose ABC transporter substrate-binding protein [Escherichia fergusonii]" 99.68 332 100.00 100.00 0.00e+00 SP P0AEE5 "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" 99.68 332 100.00 100.00 0.00e+00 SP P0AEE6 "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" 99.68 332 100.00 100.00 0.00e+00 SP P0AEE7 "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" 99.68 332 100.00 100.00 0.00e+00 stop_ save_ ############# # Ligands # ############# save_BGC _Saveframe_category ligand _Mol_type "non-polymer (SACCHARIDE)" _Name_common BETA-D-GLUCOSE _BMRB_code BGC _PDB_code BGC _Molecular_mass 180.156 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6C1 H6C1 H . 0 . ? H6C2 H6C2 H . 0 . ? H1 H1 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HC HC H . 0 . ? HD HD H . 0 . ? H6 H6 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 SING C2 C3 ? ? SING C2 C1 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 O6 ? ? SING C6 H6C1 ? ? SING C6 H6C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING O1 HA ? ? SING O2 HB ? ? SING O3 HC ? ? SING O4 HD ? ? SING O6 H6 ? ? 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 $GGBP 'E. coli' 562 Bacteria . Escherichia coli 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 _Details $GGBP 'recombinant technology' . Escherichia coli BL21 pET11-d 'Ampiciline resitant' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_assi _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling Glucose 3 mM 'natural abundance' $GGBP 1 mM '[U-13C; U-15N; U-2H]' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' H2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 800 _Details 'Equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_assi save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_assi save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_assi save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_assi save_ save_3D_HNCB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_assi save_ save_3D_HN(CO)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CB' _Sample_label $sample_assi save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '13C chemical shifts referenced to Bruker standards' 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 TMS C 13 'methyl carbons' ppm -2.57 internal direct . . . 1.0 water H 1 protons ppm 4.706 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCB' '3D HN(CO)CB' stop_ loop_ _Sample_label $sample_assi stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GGBP _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 1 2 ALA H H 7.008 . 1 2 1 2 ALA CA C 49.149 . 1 3 1 2 ALA CB C 15.406 . 1 4 1 2 ALA N N 118.215 . 1 5 2 3 ASP H H 8.169 . 1 6 2 3 ASP CA C 51.594 . 1 7 2 3 ASP CB C 38.423 . 1 8 2 3 ASP N N 119.022 . 1 9 3 4 THR H H 8.382 . 1 10 3 4 THR CA C 59.736 . 1 11 3 4 THR CB C 53.137 . 1 12 3 4 THR N N 118.388 . 1 13 4 5 ARG H H 8.515 . 1 14 4 5 ARG CA C 52.108 . 1 15 4 5 ARG CB C 28.687 . 1 16 4 5 ARG N N 127.061 . 1 17 5 6 ILE H H 8.547 . 1 18 5 6 ILE CA C 56.955 . 1 19 5 6 ILE CB C 37.640 . 1 20 5 6 ILE N N 123.384 . 1 21 6 7 GLY H H 8.413 . 1 22 6 7 GLY CA C 43.027 . 1 23 6 7 GLY N N 112.377 . 1 24 7 8 VAL H H 9.076 . 1 25 7 8 VAL CA C 56.715 . 1 26 7 8 VAL CB C 32.116 . 1 27 7 8 VAL N N 125.176 . 1 28 8 9 THR H H 8.588 . 1 29 8 9 THR CA C 55.702 . 1 30 8 9 THR CB C 52.087 . 1 31 8 9 THR N N 115.532 . 1 32 9 10 ILE H H 8.593 . 1 33 9 10 ILE CA C 54.812 . 1 34 9 10 ILE CB C 33.831 . 1 35 9 10 ILE N N 123.874 . 1 36 10 11 TYR H H 9.809 . 1 37 10 11 TYR CA C 58.819 . 1 38 10 11 TYR CB C 33.017 . 1 39 10 11 TYR N N 129.254 . 1 40 11 12 LYS H H 5.619 . 1 41 11 12 LYS CA C 52.726 . 1 42 11 12 LYS CB C 30.605 . 1 43 11 12 LYS N N 115.203 . 1 44 12 13 TYR H H 8.739 . 1 45 12 13 TYR CA C 55.263 . 1 46 12 13 TYR CB C 33.761 . 1 47 12 13 TYR N N 127.570 . 1 48 13 14 ASP H H 8.210 . 1 49 13 14 ASP CA C 50.816 . 1 50 13 14 ASP CB C 35.975 . 1 51 13 14 ASP N N 112.598 . 1 52 14 15 ASP H H 6.849 . 1 53 14 15 ASP CA C 51.677 . 1 54 14 15 ASP CB C 40.742 . 1 55 14 15 ASP N N 121.955 . 1 56 15 16 ASN H H 8.642 . 1 57 15 16 ASN CA C 55.065 . 1 58 15 16 ASN CB C 34.563 . 1 59 15 16 ASN N N 125.417 . 1 60 16 17 PHE H H 9.196 . 1 61 16 17 PHE CA C 59.277 . 1 62 16 17 PHE CB C 36.936 . 1 63 16 17 PHE N N 122.049 . 1 64 17 18 MET H H 9.982 . 1 65 17 18 MET CA C 52.102 . 1 66 17 18 MET CB C 24.815 . 1 67 17 18 MET N N 116.906 . 1 68 18 19 SER H H 8.574 . 1 69 18 19 SER CA C 59.059 . 1 70 18 19 SER CB C 58.248 . 1 71 18 19 SER N N 117.264 . 1 72 19 20 VAL H H 7.231 . 1 73 19 20 VAL CA C 62.885 . 1 74 19 20 VAL CB C 27.725 . 1 75 19 20 VAL N N 122.610 . 1 76 20 21 VAL H H 7.523 . 1 77 20 21 VAL CA C 63.487 . 1 78 20 21 VAL CB C 28.316 . 1 79 20 21 VAL N N 119.429 . 1 80 21 22 ARG H H 8.916 . 1 81 21 22 ARG CA C 56.756 . 1 82 21 22 ARG CB C 26.146 . 1 83 21 22 ARG N N 118.493 . 1 84 22 23 LYS H H 7.321 . 1 85 22 23 LYS CA C 56.098 . 1 86 22 23 LYS CB C 28.497 . 1 87 22 23 LYS N N 117.838 . 1 88 23 24 ALA H H 7.558 . 1 89 23 24 ALA CA C 51.988 . 1 90 23 24 ALA CB C 14.213 . 1 91 23 24 ALA N N 122.142 . 1 92 24 25 ILE H H 8.357 . 1 93 24 25 ILE CA C 62.846 . 1 94 24 25 ILE CB C 34.297 . 1 95 24 25 ILE N N 119.241 . 1 96 25 26 GLU H H 7.873 . 1 97 25 26 GLU CA C 56.820 . 1 98 25 26 GLU CB C 26.293 . 1 99 25 26 GLU N N 117.564 . 1 100 26 27 GLN H H 7.603 . 1 101 26 27 GLN CA C 55.894 . 1 102 26 27 GLN CB C 26.966 . 1 103 26 27 GLN N N 120.523 . 1 104 28 29 ALA H H 7.778 . 1 105 28 29 ALA CA C 51.043 . 1 106 28 29 ALA CB C 15.196 . 1 107 28 29 ALA N N 120.083 . 1 108 29 30 LYS H H 7.418 . 1 109 29 30 LYS CA C 55.268 . 1 110 29 30 LYS CB C 28.507 . 1 111 29 30 LYS N N 117.701 . 1 112 31 32 ALA H H 7.101 . 1 113 31 32 ALA CA C 52.735 . 1 114 31 32 ALA CB C 15.721 . 1 115 31 32 ALA N N 119.900 . 1 116 33 34 ASP H H 8.879 . 1 117 33 34 ASP CA C 51.248 . 1 118 33 34 ASP CB C 36.685 . 1 119 33 34 ASP N N 115.218 . 1 120 34 35 VAL H H 7.846 . 1 121 34 35 VAL CA C 57.650 . 1 122 34 35 VAL CB C 30.469 . 1 123 34 35 VAL N N 118.556 . 1 124 35 36 GLN H H 8.451 . 1 125 35 36 GLN CA C 51.254 . 1 126 35 36 GLN CB C 27.708 . 1 127 35 36 GLN N N 125.648 . 1 128 36 37 LEU H H 8.845 . 1 129 36 37 LEU CA C 50.786 . 1 130 36 37 LEU CB C 39.690 . 1 131 36 37 LEU N N 126.373 . 1 132 37 38 LEU H H 8.684 . 1 133 37 38 LEU CA C 51.467 . 1 134 37 38 LEU CB C 38.286 . 1 135 37 38 LEU N N 128.066 . 1 136 38 39 MET H H 8.403 . 1 137 38 39 MET CA C 51.471 . 1 138 38 39 MET CB C 30.306 . 1 139 38 39 MET N N 123.265 . 1 140 39 40 ASN H H 8.074 . 1 141 39 40 ASN CA C 50.199 . 1 142 39 40 ASN CB C 40.182 . 1 143 39 40 ASN N N 120.551 . 1 144 40 41 ASP H H 8.359 . 1 145 40 41 ASP CA C 49.788 . 1 146 40 41 ASP CB C 37.050 . 1 147 40 41 ASP N N 121.019 . 1 148 41 42 SER H H 9.066 . 1 149 41 42 SER CA C 56.523 . 1 150 41 42 SER CB C 58.219 . 1 151 41 42 SER N N 123.846 . 1 152 42 43 GLN H H 8.637 . 1 153 42 43 GLN CA C 53.848 . 1 154 42 43 GLN CB C 23.538 . 1 155 42 43 GLN N N 113.814 . 1 156 43 44 ASN H H 9.859 . 1 157 43 44 ASN CA C 49.993 . 1 158 43 44 ASN CB C 36.635 . 1 159 43 44 ASN N N 114.159 . 1 160 44 45 ASP H H 7.473 . 1 161 44 45 ASP CA C 49.977 . 1 162 44 45 ASP CB C 39.967 . 1 163 44 45 ASP N N 117.835 . 1 164 45 46 GLN H H 9.541 . 1 165 45 46 GLN CA C 54.631 . 1 166 45 46 GLN CB C 25.584 . 1 167 45 46 GLN N N 128.052 . 1 168 46 47 SER H H 8.398 . 1 169 46 47 SER CA C 59.279 . 1 170 46 47 SER CB C 59.372 . 1 171 46 47 SER N N 115.630 . 1 172 47 48 LYS H H 7.419 . 1 173 47 48 LYS CA C 55.895 . 1 174 47 48 LYS CB C 27.803 . 1 175 47 48 LYS N N 123.612 . 1 176 48 49 GLN H H 8.248 . 1 177 48 49 GLN CA C 56.517 . 1 178 48 49 GLN CB C 26.256 . 1 179 48 49 GLN N N 119.990 . 1 180 49 50 ASN H H 8.800 . 1 181 49 50 ASN CA C 53.173 . 1 182 49 50 ASN CB C 33.577 . 1 183 49 50 ASN N N 119.804 . 1 184 50 51 ASP H H 7.539 . 1 185 50 51 ASP CA C 54.427 . 1 186 50 51 ASP CB C 37.044 . 1 187 50 51 ASP N N 120.454 . 1 188 51 52 GLN H H 8.518 . 1 189 51 52 GLN CA C 55.694 . 1 190 51 52 GLN CB C 23.586 . 1 191 51 52 GLN N N 119.897 . 1 192 52 53 ILE H H 8.598 . 1 193 52 53 ILE CA C 62.658 . 1 194 52 53 ILE CB C 33.739 . 1 195 52 53 ILE N N 120.547 . 1 196 53 54 ASP H H 7.726 . 1 197 53 54 ASP CA C 55.248 . 1 198 53 54 ASP CB C 36.444 . 1 199 53 54 ASP N N 120.454 . 1 200 54 55 VAL H H 7.828 . 1 201 54 55 VAL CA C 63.494 . 1 202 54 55 VAL CB C 28.111 . 1 203 54 55 VAL N N 121.569 . 1 204 55 56 LEU H H 8.326 . 1 205 55 56 LEU CA C 55.073 . 1 206 55 56 LEU CB C 38.522 . 1 207 55 56 LEU N N 119.990 . 1 208 56 57 LEU H H 8.567 . 1 209 56 57 LEU CA C 54.848 . 1 210 56 57 LEU CB C 37.077 . 1 211 56 57 LEU N N 117.947 . 1 212 57 58 ALA H H 7.935 . 1 213 57 58 ALA CA C 51.469 . 1 214 57 58 ALA CB C 14.501 . 1 215 57 58 ALA N N 123.847 . 1 216 58 59 LYS H H 7.936 . 1 217 58 59 LYS CA C 53.586 . 1 218 58 59 LYS CB C 29.096 . 1 219 58 59 LYS N N 117.526 . 1 220 59 60 GLY H H 7.861 . 1 221 59 60 GLY CA C 43.452 . 1 222 59 60 GLY N N 106.482 . 1 223 60 61 VAL H H 7.236 . 1 224 60 61 VAL CA C 58.835 . 1 225 60 61 VAL CB C 28.845 . 1 226 60 61 VAL N N 111.197 . 1 227 61 62 LYS H H 8.606 . 1 228 61 62 LYS CA C 52.502 . 1 229 61 62 LYS CB C 30.967 . 1 230 61 62 LYS N N 117.711 . 1 231 62 63 ALA H H 7.478 . 1 232 62 63 ALA CA C 49.065 . 1 233 62 63 ALA CB C 19.564 . 1 234 62 63 ALA N N 113.908 . 1 235 63 64 LEU H H 8.048 . 1 236 63 64 LEU CA C 49.562 . 1 237 63 64 LEU CB C 42.082 . 1 238 63 64 LEU N N 119.896 . 1 239 64 65 ALA H H 9.298 . 1 240 64 65 ALA CA C 47.256 . 1 241 64 65 ALA CB C 15.487 . 1 242 64 65 ALA N N 125.711 . 1 243 65 66 ILE H H 8.608 . 1 244 65 66 ILE CA C 54.403 . 1 245 65 66 ILE CB C 36.124 . 1 246 65 66 ILE N N 122.809 . 1 247 66 67 ASN H H 7.744 . 1 248 66 67 ASN CA C 48.098 . 1 249 66 67 ASN CB C 36.564 . 1 250 66 67 ASN N N 131.658 . 1 251 67 68 LEU H H 9.080 . 1 252 67 68 LEU CA C 52.181 . 1 253 67 68 LEU CB C 28.232 . 1 254 67 68 LEU N N 125.848 . 1 255 68 69 VAL H H 8.248 . 1 256 68 69 VAL CA C 57.587 . 1 257 68 69 VAL CB C 34.572 . 1 258 68 69 VAL N N 125.364 . 1 259 69 70 ASP H H 8.952 . 1 260 69 70 ASP CA C 49.767 . 1 261 69 70 ASP CB C 39.122 . 1 262 69 70 ASP N N 128.625 . 1 263 71 72 ALA H H 8.091 . 1 264 71 72 ALA CA C 50.339 . 1 265 71 72 ALA CB C 14.825 . 1 266 71 72 ALA N N 117.500 . 1 267 72 73 ALA H H 8.249 . 1 268 72 73 ALA CA C 49.140 . 1 269 72 73 ALA CB C 15.004 . 1 270 72 73 ALA N N 121.212 . 1 271 73 74 ALA H H 7.557 . 1 272 73 74 ALA CA C 45.976 . 1 273 73 74 ALA CB C 15.308 . 1 274 73 74 ALA N N 123.375 . 1 275 75 76 THR H H 7.702 . 1 276 75 76 THR CA C 63.073 . 1 277 75 76 THR CB C 53.178 . 1 278 75 76 THR N N 119.335 . 1 279 76 77 VAL H H 7.539 . 1 280 76 77 VAL CA C 64.353 . 1 281 76 77 VAL CB C 28.065 . 1 282 76 77 VAL N N 121.019 . 1 283 77 78 ILE H H 8.769 . 1 284 77 78 ILE CA C 63.078 . 1 285 77 78 ILE CB C 34.111 . 1 286 77 78 ILE N N 119.522 . 1 287 78 79 GLU H H 8.028 . 1 288 78 79 GLU CA C 55.718 . 1 289 78 79 GLU CB C 25.125 . 1 290 78 79 GLU N N 116.808 . 1 291 79 80 LYS H H 7.357 . 1 292 79 80 LYS CA C 56.135 . 1 293 79 80 LYS CB C 29.732 . 1 294 79 80 LYS N N 118.306 . 1 295 80 81 ALA H H 7.922 . 1 296 80 81 ALA CA C 52.356 . 1 297 80 81 ALA CB C 14.733 . 1 298 80 81 ALA N N 121.394 . 1 299 81 82 ARG H H 9.065 . 1 300 81 82 ARG CA C 56.984 . 1 301 81 82 ARG CB C 29.546 . 1 302 81 82 ARG N N 115.405 . 1 303 82 83 GLY H H 7.592 . 1 304 82 83 GLY CA C 44.495 . 1 305 82 83 GLY N N 107.664 . 1 306 87 88 VAL H H 8.639 . 1 307 87 88 VAL CA C 56.322 . 1 308 87 88 VAL CB C 32.096 . 1 309 87 88 VAL N N 117.933 . 1 310 88 89 VAL H H 9.091 . 1 311 88 89 VAL CA C 57.378 . 1 312 88 89 VAL CB C 28.876 . 1 313 88 89 VAL N N 126.847 . 1 314 89 90 PHE H H 9.425 . 1 315 89 90 PHE CA C 55.269 . 1 316 89 90 PHE CB C 38.244 . 1 317 89 90 PHE N N 126.553 . 1 318 90 91 PHE H H 8.731 . 1 319 90 91 PHE CA C 53.585 . 1 320 90 91 PHE CB C 37.796 . 1 321 90 91 PHE N N 114.014 . 1 322 91 92 ASN H H 8.191 . 1 323 91 92 ASN CA C 58.225 . 1 324 91 92 ASN CB C 35.669 . 1 325 91 92 ASN N N 122.145 . 1 326 92 93 LYS H H 7.988 . 1 327 92 93 LYS CA C 52.591 . 1 328 92 93 LYS CB C 29.716 . 1 329 92 93 LYS N N 119.990 . 1 330 93 94 GLU H H 8.817 . 1 331 93 94 GLU CA C 51.983 . 1 332 93 94 GLU CB C 27.181 . 1 333 93 94 GLU N N 129.946 . 1 334 95 96 SER H H 8.246 . 1 335 95 96 SER CA C 54.568 . 1 336 95 96 SER CB C 57.772 . 1 337 95 96 SER N N 113.581 . 1 338 96 97 ARG H H 8.440 . 1 339 96 97 ARG CA C 54.702 . 1 340 96 97 ARG CB C 26.833 . 1 341 96 97 ARG N N 124.077 . 1 342 97 98 LYS H H 7.919 . 1 343 97 98 LYS CA C 55.938 . 1 344 97 98 LYS CB C 28.678 . 1 345 97 98 LYS N N 116.548 . 1 346 98 99 ALA H H 7.616 . 1 347 98 99 ALA CA C 51.685 . 1 348 98 99 ALA CB C 14.082 . 1 349 98 99 ALA N N 120.628 . 1 350 99 100 LEU H H 7.900 . 1 351 99 100 LEU CA C 55.262 . 1 352 99 100 LEU CB C 38.439 . 1 353 99 100 LEU N N 118.935 . 1 354 100 101 ASP H H 8.424 . 1 355 100 101 ASP CA C 52.787 . 1 356 100 101 ASP CB C 36.928 . 1 357 100 101 ASP N N 115.717 . 1 358 101 102 SER H H 7.675 . 1 359 101 102 SER CA C 57.149 . 1 360 101 102 SER CB C 57.502 . 1 361 101 102 SER N N 114.881 . 1 362 102 103 TYR H H 7.161 . 1 363 102 103 TYR CA C 50.631 . 1 364 102 103 TYR CB C 38.455 . 1 365 102 103 TYR N N 122.477 . 1 366 105 106 ALA H H 6.699 . 1 367 105 106 ALA CA C 47.453 . 1 368 105 106 ALA CB C 17.590 . 1 369 105 106 ALA N N 119.302 . 1 370 106 107 TYR H H 8.786 . 1 371 106 107 TYR CA C 53.648 . 1 372 106 107 TYR CB C 40.938 . 1 373 106 107 TYR N N 118.858 . 1 374 107 108 TYR H H 9.042 . 1 375 107 108 TYR CA C 54.345 . 1 376 107 108 TYR CB C 39.162 . 1 377 107 108 TYR N N 119.311 . 1 378 108 109 VAL H H 7.950 . 1 379 108 109 VAL CA C 57.579 . 1 380 108 109 VAL CB C 30.002 . 1 381 108 109 VAL N N 125.829 . 1 382 109 110 GLY H H 8.305 . 1 383 109 110 GLY CA C 43.041 . 1 384 109 110 GLY N N 113.245 . 1 385 110 111 THR H H 9.672 . 1 386 110 111 THR CA C 56.972 . 1 387 110 111 THR CB C 47.863 . 1 388 110 111 THR N N 117.681 . 1 389 111 112 ASP H H 9.933 . 1 390 111 112 ASP CA C 49.388 . 1 391 111 112 ASP CB C 36.393 . 1 392 111 112 ASP N N 120.950 . 1 393 112 113 SER H H 8.043 . 1 394 112 113 SER CA C 61.384 . 1 395 112 113 SER CB C 56.085 . 1 396 112 113 SER N N 121.115 . 1 397 116 117 GLY H H 6.902 . 1 398 116 117 GLY CA C 44.321 . 1 399 116 117 GLY N N 107.489 . 1 400 117 118 ILE H H 7.799 . 1 401 117 118 ILE CA C 62.165 . 1 402 117 118 ILE CB C 34.210 . 1 403 117 118 ILE N N 122.517 . 1 404 118 119 ILE H H 8.352 . 1 405 118 119 ILE CA C 62.205 . 1 406 118 119 ILE CB C 34.820 . 1 407 118 119 ILE N N 117.651 . 1 408 119 120 GLN H H 7.847 . 1 409 119 120 GLN CA C 56.952 . 1 410 119 120 GLN CB C 25.214 . 1 411 119 120 GLN N N 118.867 . 1 412 120 121 GLY H H 8.513 . 1 413 120 121 GLY CA C 44.517 . 1 414 120 121 GLY N N 106.470 . 1 415 122 123 LEU H H 8.483 . 1 416 122 123 LEU CA C 55.057 . 1 417 122 123 LEU CB C 39.552 . 1 418 122 123 LEU N N 123.334 . 1 419 123 124 ILE H H 8.102 . 1 420 123 124 ILE CA C 62.680 . 1 421 123 124 ILE CB C 32.957 . 1 422 123 124 ILE N N 119.804 . 1 423 124 125 ALA H H 8.483 . 1 424 124 125 ALA CA C 52.531 . 1 425 124 125 ALA CB C 14.629 . 1 426 124 125 ALA N N 121.012 . 1 427 125 126 LYS H H 7.958 . 1 428 125 126 LYS CA C 56.112 . 1 429 125 126 LYS CB C 29.460 . 1 430 125 126 LYS N N 118.998 . 1 431 126 127 HIS H H 8.251 . 1 432 126 127 HIS CA C 57.458 . 1 433 126 127 HIS CB C 28.977 . 1 434 126 127 HIS N N 118.247 . 1 435 127 128 TRP H H 8.464 . 1 436 127 128 TRP CA C 57.591 . 1 437 127 128 TRP CB C 26.955 . 1 438 127 128 TRP N N 125.613 . 1 439 128 129 ALA H H 7.603 . 1 440 128 129 ALA CA C 51.049 . 1 441 128 129 ALA CB C 14.775 . 1 442 128 129 ALA N N 117.048 . 1 443 129 130 ALA H H 6.871 . 1 444 129 130 ALA CA C 49.356 . 1 445 129 130 ALA CB C 16.327 . 1 446 129 130 ALA N N 115.961 . 1 447 130 131 ASN H H 7.032 . 1 448 130 131 ASN CA C 48.483 . 1 449 130 131 ASN CB C 34.504 . 1 450 130 131 ASN N N 118.942 . 1 451 132 133 GLY H H 9.079 . 1 452 132 133 GLY CA C 43.034 . 1 453 132 133 GLY N N 125.324 . 1 454 133 134 TRP H H 7.920 . 1 455 133 134 TRP CA C 55.484 . 1 456 133 134 TRP CB C 29.884 . 1 457 133 134 TRP N N 109.810 . 1 458 135 136 LEU H H 7.968 . 1 459 135 136 LEU CA C 54.846 . 1 460 135 136 LEU CB C 38.603 . 1 461 135 136 LEU N N 127.570 . 1 462 136 137 ASN H H 8.264 . 1 463 136 137 ASN CA C 48.526 . 1 464 136 137 ASN CB C 33.797 . 1 465 136 137 ASN N N 112.785 . 1 466 137 138 LYS H H 7.868 . 1 467 137 138 LYS CA C 54.579 . 1 468 137 138 LYS CB C 26.212 . 1 469 137 138 LYS N N 114.843 . 1 470 138 139 ASP H H 7.933 . 1 471 138 139 ASP CA C 49.992 . 1 472 138 139 ASP CB C 38.495 . 1 473 138 139 ASP N N 116.715 . 1 474 139 140 GLY H H 10.955 . 1 475 139 140 GLY CA C 43.019 . 1 476 139 140 GLY N N 114.731 . 1 477 140 141 GLN H H 8.731 . 1 478 140 141 GLN CA C 55.670 . 1 479 140 141 GLN CB C 28.425 . 1 480 140 141 GLN N N 119.077 . 1 481 144 145 VAL H H 8.113 . 1 482 144 145 VAL CA C 55.670 . 1 483 144 145 VAL CB C 29.830 . 1 484 144 145 VAL N N 109.533 . 1 485 145 146 LEU H H 7.866 . 1 486 145 146 LEU CA C 51.268 . 1 487 145 146 LEU CB C 42.269 . 1 488 145 146 LEU N N 125.920 . 1 489 146 147 LEU H H 8.759 . 1 490 146 147 LEU CA C 50.353 . 1 491 146 147 LEU CB C 40.259 . 1 492 146 147 LEU N N 125.558 . 1 493 147 148 LYS H H 9.094 . 1 494 147 148 LYS CA C 51.068 . 1 495 147 148 LYS CB C 32.161 . 1 496 147 148 LYS N N 127.859 . 1 497 148 149 GLY H H 8.512 . 1 498 148 149 GLY CA C 39.052 . 1 499 148 149 GLY N N 108.037 . 1 500 149 150 GLU H H 7.167 . 1 501 149 150 GLU CA C 51.048 . 1 502 149 150 GLU CB C 26.943 . 1 503 149 150 GLU N N 115.828 . 1 504 151 152 GLY H H 10.294 . 1 505 151 152 GLY CA C 41.857 . 1 506 151 152 GLY N N 114.743 . 1 507 152 153 HIS H H 8.263 . 1 508 152 153 HIS CA C 51.465 . 1 509 152 153 HIS CB C 29.692 . 1 510 152 153 HIS N N 125.911 . 1 511 154 155 ASP H H 10.793 . 1 512 154 155 ASP CA C 55.281 . 1 513 154 155 ASP CB C 37.766 . 1 514 154 155 ASP N N 116.861 . 1 515 155 156 ALA H H 7.462 . 1 516 155 156 ALA CA C 51.473 . 1 517 155 156 ALA CB C 15.749 . 1 518 155 156 ALA N N 122.329 . 1 519 156 157 GLU H H 8.539 . 1 520 156 157 GLU CA C 55.078 . 1 521 156 157 GLU CB C 25.028 . 1 522 156 157 GLU N N 116.528 . 1 523 157 158 ALA H H 7.997 . 1 524 157 158 ALA CA C 51.804 . 1 525 157 158 ALA CB C 15.957 . 1 526 157 158 ALA N N 119.047 . 1 527 158 159 ARG H H 8.407 . 1 528 158 159 ARG CA C 57.804 . 1 529 158 159 ARG CB C 26.667 . 1 530 158 159 ARG N N 116.110 . 1 531 159 160 THR H H 7.389 . 1 532 159 160 THR CA C 64.534 . 1 533 159 160 THR CB C 53.438 . 1 534 159 160 THR N N 114.702 . 1 535 160 161 THR H H 7.672 . 1 536 160 161 THR CA C 63.106 . 1 537 160 161 THR CB C 52.596 . 1 538 160 161 THR N N 114.843 . 1 539 161 162 TYR H H 8.761 . 1 540 161 162 TYR CA C 60.757 . 1 541 161 162 TYR CB C 33.681 . 1 542 161 162 TYR N N 116.153 . 1 543 162 163 VAL H H 7.421 . 1 544 162 163 VAL CA C 62.022 . 1 545 162 163 VAL CB C 26.956 . 1 546 162 163 VAL N N 119.709 . 1 547 163 164 ILE H H 5.688 . 1 548 163 164 ILE CA C 58.218 . 1 549 163 164 ILE CB C 32.489 . 1 550 163 164 ILE N N 118.467 . 1 551 164 165 LYS H H 7.459 . 1 552 164 165 LYS CA C 56.535 . 1 553 164 165 LYS CB C 29.695 . 1 554 164 165 LYS N N 119.148 . 1 555 165 166 GLU H H 8.362 . 1 556 165 166 GLU CA C 55.156 . 1 557 165 166 GLU CB C 24.741 . 1 558 165 166 GLU N N 117.421 . 1 559 166 167 LEU H H 7.149 . 1 560 166 167 LEU CA C 55.506 . 1 561 166 167 LEU CB C 38.136 . 1 562 166 167 LEU N N 117.977 . 1 563 167 168 ASN H H 8.291 . 1 564 167 168 ASN CA C 52.943 . 1 565 167 168 ASN CB C 35.071 . 1 566 167 168 ASN N N 116.528 . 1 567 168 169 ASP H H 9.280 . 1 568 168 169 ASP CA C 54.215 . 1 569 168 169 ASP CB C 36.662 . 1 570 168 169 ASP N N 124.669 . 1 571 169 170 LYS H H 7.721 . 1 572 169 170 LYS CA C 52.742 . 1 573 169 170 LYS CB C 28.242 . 1 574 169 170 LYS N N 119.145 . 1 575 170 171 GLY H H 7.885 . 1 576 170 171 GLY CA C 42.188 . 1 577 170 171 GLY N N 107.008 . 1 578 171 172 ILE H H 8.122 . 1 579 171 172 ILE CA C 57.379 . 1 580 171 172 ILE CB C 34.437 . 1 581 171 172 ILE N N 123.427 . 1 582 172 173 LYS H H 8.603 . 1 583 172 173 LYS CA C 53.557 . 1 584 172 173 LYS CB C 29.878 . 1 585 172 173 LYS N N 127.142 . 1 586 173 174 THR H H 8.118 . 1 587 173 174 THR CA C 55.884 . 1 588 173 174 THR CB C 50.413 . 1 589 173 174 THR N N 109.400 . 1 590 174 175 GLU H H 9.128 . 1 591 174 175 GLU CA C 51.887 . 1 592 174 175 GLU CB C 28.975 . 1 593 174 175 GLU N N 122.439 . 1 594 175 176 GLN H H 8.433 . 1 595 175 176 GLN CA C 51.777 . 1 596 175 176 GLN CB C 27.064 . 1 597 175 176 GLN N N 128.514 . 1 598 176 177 LEU H H 8.575 . 1 599 176 177 LEU CA C 52.740 . 1 600 176 177 LEU CB C 38.460 . 1 601 176 177 LEU N N 127.727 . 1 602 177 178 GLN H H 6.318 . 1 603 177 178 GLN CA C 50.626 . 1 604 177 178 GLN CB C 28.136 . 1 605 177 178 GLN N N 110.115 . 1 606 178 179 LEU H H 8.201 . 1 607 178 179 LEU CA C 53.101 . 1 608 178 179 LEU CB C 41.094 . 1 609 178 179 LEU N N 123.503 . 1 610 179 180 ASP H H 8.762 . 1 611 179 180 ASP CA C 49.602 . 1 612 179 180 ASP CB C 41.727 . 1 613 179 180 ASP N N 122.441 . 1 614 180 181 THR H H 9.468 . 1 615 180 181 THR CA C 56.029 . 1 616 180 181 THR CB C 52.042 . 1 617 180 181 THR N N 114.961 . 1 618 181 182 ALA H H 8.512 . 1 619 181 182 ALA CA C 47.555 . 1 620 181 182 ALA CB C 15.034 . 1 621 181 182 ALA N N 125.507 . 1 622 182 183 MET H H 8.182 . 1 623 182 183 MET CA C 53.071 . 1 624 182 183 MET CB C 24.583 . 1 625 182 183 MET N N 109.308 . 1 626 183 184 TRP H H 7.366 . 1 627 183 184 TRP CA C 55.689 . 1 628 183 184 TRP CB C 26.621 . 1 629 183 184 TRP N N 106.274 . 1 630 184 185 ASP H H 8.237 . 1 631 184 185 ASP CA C 51.542 . 1 632 184 185 ASP CB C 42.837 . 1 633 184 185 ASP N N 122.704 . 1 634 185 186 THR H H 8.977 . 1 635 185 186 THR CA C 63.935 . 1 636 185 186 THR CB C 52.284 . 1 637 185 186 THR N N 123.256 . 1 638 186 187 ALA H H 8.112 . 1 639 186 187 ALA CA C 52.527 . 1 640 186 187 ALA CB C 14.374 . 1 641 186 187 ALA N N 124.107 . 1 642 187 188 GLN H H 8.703 . 1 643 187 188 GLN CA C 56.294 . 1 644 187 188 GLN CB C 25.259 . 1 645 187 188 GLN N N 117.291 . 1 646 188 189 ALA H H 7.858 . 1 647 188 189 ALA CA C 51.900 . 1 648 188 189 ALA CB C 37.172 . 1 649 188 189 ALA N N 121.674 . 1 650 189 190 LYS H H 8.187 . 1 651 189 190 LYS CA C 56.752 . 1 652 189 190 LYS CB C 27.057 . 1 653 189 190 LYS N N 119.616 . 1 654 190 191 ASP H H 7.628 . 1 655 190 191 ASP CA C 54.424 . 1 656 190 191 ASP CB C 27.736 . 1 657 190 191 ASP N N 117.744 . 1 658 191 192 LYS H H 7.854 . 1 659 191 192 LYS CA C 54.412 . 1 660 191 192 LYS CB C 38.600 . 1 661 191 192 LYS N N 120.177 . 1 662 192 193 MET H H 8.040 . 1 663 192 193 MET CA C 53.365 . 1 664 192 193 MET CB C 13.790 . 1 665 192 193 MET N N 116.153 . 1 666 193 194 ASP H H 8.598 . 1 667 193 194 ASP CA C 55.057 . 1 668 193 194 ASP CB C 25.007 . 1 669 193 194 ASP N N 119.054 . 1 670 194 195 ALA H H 7.385 . 1 671 194 195 ALA CA C 52.091 . 1 672 194 195 ALA CB C 36.772 . 1 673 194 195 ALA N N 121.581 . 1 674 195 196 TRP H H 8.296 . 1 675 195 196 TRP CA C 54.815 . 1 676 195 196 TRP CB C 58.147 . 1 677 195 196 TRP N N 121.674 . 1 678 196 197 LEU H H 8.518 . 1 679 196 197 LEU CA C 52.941 . 1 680 196 197 LEU CB C 41.609 . 1 681 196 197 LEU N N 117.838 . 1 682 197 198 SER H H 7.512 . 1 683 197 198 SER CA C 55.278 . 1 684 197 198 SER CB C 17.145 . 1 685 197 198 SER N N 113.475 . 1 686 198 199 GLY H H 7.216 . 1 687 198 199 GLY CA C 41.618 . 1 688 198 199 GLY N N 108.626 . 1 689 203 204 LYS H H 7.642 . 1 690 203 204 LYS CA C 52.794 . 1 691 203 204 LYS CB C 31.252 . 1 692 203 204 LYS N N 116.649 . 1 693 204 205 ILE H H 6.609 . 1 694 204 205 ILE CA C 61.182 . 1 695 204 205 ILE CB C 36.203 . 1 696 204 205 ILE N N 117.526 . 1 697 205 206 GLU H H 7.980 . 1 698 205 206 GLU CA C 53.133 . 1 699 205 206 GLU CB C 27.410 . 1 700 205 206 GLU N N 122.131 . 1 701 209 210 ALA H H 8.593 . 1 702 209 210 ALA CA C 46.202 . 1 703 209 210 ALA CB C 19.761 . 1 704 209 210 ALA N N 126.101 . 1 705 210 211 ASN H H 8.664 . 1 706 210 211 ASN CA C 50.837 . 1 707 210 211 ASN CB C 38.415 . 1 708 210 211 ASN N N 113.336 . 1 709 211 212 ASN H H 7.493 . 1 710 211 212 ASN CA C 49.366 . 1 711 211 212 ASN CB C 37.235 . 1 712 211 212 ASN N N 111.797 . 1 713 212 213 ASP H H 7.493 . 1 714 212 213 ASP CA C 49.366 . 1 715 212 213 ASP CB C 37.632 . 1 716 212 213 ASP N N 111.797 . 1 717 213 214 ALA H H 8.466 . 1 718 213 214 ALA CA C 53.578 . 1 719 213 214 ALA CB C 14.200 . 1 720 213 214 ALA N N 122.480 . 1 721 214 215 MET H H 8.589 . 1 722 214 215 MET CA C 55.717 . 1 723 214 215 MET CB C 29.264 . 1 724 214 215 MET N N 115.780 . 1 725 215 216 ALA H H 7.828 . 1 726 215 216 ALA CA C 52.320 . 1 727 215 216 ALA CB C 14.821 . 1 728 215 216 ALA N N 122.862 . 1 729 216 217 MET H H 9.008 . 1 730 216 217 MET CA C 55.682 . 1 731 216 217 MET CB C 26.657 . 1 732 216 217 MET N N 119.039 . 1 733 217 218 GLY H H 7.588 . 1 734 217 218 GLY CA C 43.686 . 1 735 217 218 GLY N N 105.644 . 1 736 220 221 GLU H H 7.481 . 1 737 220 221 GLU CA C 56.539 . 1 738 220 221 GLU CB C 26.123 . 1 739 220 221 GLU N N 118.199 . 1 740 221 222 ALA H H 7.765 . 1 741 221 222 ALA CA C 51.912 . 1 742 221 222 ALA CB C 15.876 . 1 743 221 222 ALA N N 122.253 . 1 744 224 225 ALA H H 7.703 . 1 745 224 225 ALA CA C 51.440 . 1 746 224 225 ALA CB C 14.720 . 1 747 224 225 ALA N N 122.362 . 1 748 225 226 HIS H H 7.463 . 1 749 225 226 HIS CA C 53.116 . 1 750 225 226 HIS CB C 27.031 . 1 751 225 226 HIS N N 113.938 . 1 752 226 227 ASN H H 8.062 . 1 753 226 227 ASN CA C 51.676 . 1 754 226 227 ASN CB C 33.722 . 1 755 226 227 ASN N N 116.262 . 1 756 227 228 LYS H H 8.446 . 1 757 227 228 LYS CA C 51.467 . 1 758 227 228 LYS CB C 29.592 . 1 759 227 228 LYS N N 118.566 . 1 760 228 229 SER H H 7.921 . 1 761 228 229 SER CA C 57.810 . 1 762 228 229 SER CB C 58.091 . 1 763 228 229 SER N N 113.505 . 1 764 232 233 VAL H H 7.261 . 1 765 232 233 VAL CA C 56.751 . 1 766 232 233 VAL CB C 30.978 . 1 767 232 233 VAL N N 117.744 . 1 768 233 234 PHE H H 8.193 . 1 769 233 234 PHE CA C 53.577 . 1 770 233 234 PHE CB C 39.887 . 1 771 233 234 PHE N N 122.446 . 1 772 234 235 GLY H H 8.152 . 1 773 234 235 GLY CA C 40.293 . 1 774 234 235 GLY N N 106.785 . 1 775 235 236 VAL H H 6.021 . 1 776 235 236 VAL CA C 63.265 . 1 777 235 236 VAL CB C 33.393 . 1 778 235 236 VAL N N 114.979 . 1 779 236 237 ASP H H 9.267 . 1 780 236 237 ASP CA C 58.654 . 1 781 236 237 ASP CB C 37.261 . 1 782 236 237 ASP N N 121.655 . 1 783 237 238 ALA H H 9.761 . 1 784 237 238 ALA CA C 49.157 . 1 785 237 238 ALA CB C 13.383 . 1 786 237 238 ALA N N 127.899 . 1 787 238 239 LEU H H 8.438 . 1 788 238 239 LEU CA C 50.874 . 1 789 238 239 LEU CB C 37.703 . 1 790 238 239 LEU N N 117.034 . 1 791 240 241 GLU H H 9.857 . 1 792 240 241 GLU CA C 56.324 . 1 793 240 241 GLU CB C 25.531 . 1 794 240 241 GLU N N 116.321 . 1 795 241 242 ALA H H 7.435 . 1 796 241 242 ALA CA C 50.844 . 1 797 241 242 ALA CB C 15.617 . 1 798 241 242 ALA N N 120.940 . 1 799 242 243 LEU H H 8.077 . 1 800 242 243 LEU CA C 55.053 . 1 801 242 243 LEU CB C 36.374 . 1 802 242 243 LEU N N 118.597 . 1 803 243 244 ALA H H 7.496 . 1 804 243 244 ALA CA C 51.903 . 1 805 243 244 ALA CB C 14.379 . 1 806 243 244 ALA N N 120.176 . 1 807 244 245 LEU H H 7.155 . 1 808 244 245 LEU CA C 53.156 . 1 809 244 245 LEU CB C 38.172 . 1 810 244 245 LEU N N 117.668 . 1 811 245 246 VAL H H 8.071 . 1 812 245 246 VAL CA C 61.298 . 1 813 245 246 VAL CB C 27.286 . 1 814 245 246 VAL N N 123.427 . 1 815 246 247 LYS H H 7.793 . 1 816 246 247 LYS CA C 56.528 . 1 817 246 247 LYS CB C 28.705 . 1 818 246 247 LYS N N 120.802 . 1 819 247 248 SER H H 7.795 . 1 820 247 248 SER CA C 56.113 . 1 821 247 248 SER CB C 57.891 . 1 822 247 248 SER N N 110.463 . 1 823 248 249 GLY H H 7.550 . 1 824 248 249 GLY CA C 42.030 . 1 825 248 249 GLY N N 109.875 . 1 826 249 250 ALA H H 7.931 . 1 827 249 250 ALA CA C 50.444 . 1 828 249 250 ALA CB C 16.504 . 1 829 249 250 ALA N N 123.984 . 1 830 250 251 LEU H H 6.986 . 1 831 250 251 LEU CA C 49.761 . 1 832 250 251 LEU CB C 41.952 . 1 833 250 251 LEU N N 116.460 . 1 834 251 252 ALA H H 8.297 . 1 835 251 252 ALA CA C 50.587 . 1 836 251 252 ALA CB C 15.727 . 1 837 251 252 ALA N N 126.770 . 1 838 252 253 GLY H H 6.492 . 1 839 252 253 GLY CA C 41.973 . 1 840 252 253 GLY N N 128.269 . 1 841 253 254 THR H H 9.236 . 1 842 253 254 THR CA C 55.807 . 1 843 253 254 THR CB C 55.360 . 1 844 253 254 THR N N 117.501 . 1 845 254 255 VAL H H 8.403 . 1 846 254 255 VAL CA C 57.163 . 1 847 254 255 VAL CB C 33.203 . 1 848 254 255 VAL N N 120.037 . 1 849 255 256 LEU H H 9.906 . 1 850 255 256 LEU CA C 54.209 . 1 851 255 256 LEU CB C 38.239 . 1 852 255 256 LEU N N 129.430 . 1 853 256 257 ASN H H 8.252 . 1 854 256 257 ASN CA C 47.981 . 1 855 256 257 ASN CB C 37.741 . 1 856 256 257 ASN N N 129.430 . 1 857 257 258 ASP H H 9.027 . 1 858 257 258 ASP CA C 51.444 . 1 859 257 258 ASP CB C 36.339 . 1 860 257 258 ASP N N 121.728 . 1 861 258 259 ALA H H 8.492 . 1 862 258 259 ALA CA C 51.436 . 1 863 258 259 ALA CB C 17.197 . 1 864 258 259 ALA N N 132.693 . 1 865 259 260 ASN H H 8.374 . 1 866 259 260 ASN CA C 53.781 . 1 867 259 260 ASN CB C 34.738 . 1 868 259 260 ASN N N 114.976 . 1 869 260 261 ASN H H 8.155 . 1 870 260 261 ASN CA C 53.172 . 1 871 260 261 ASN CB C 35.490 . 1 872 260 261 ASN N N 117.639 . 1 873 261 262 GLN H H 7.792 . 1 874 261 262 GLN CA C 56.955 . 1 875 261 262 GLN CB C 26.070 . 1 876 261 262 GLN N N 117.345 . 1 877 262 263 ALA H H 8.514 . 1 878 262 263 ALA CA C 52.110 . 1 879 262 263 ALA CB C 17.219 . 1 880 262 263 ALA N N 122.929 . 1 881 263 264 LYS H H 7.429 . 1 882 263 264 LYS CA C 55.495 . 1 883 263 264 LYS CB C 28.915 . 1 884 263 264 LYS N N 117.247 . 1 885 264 265 ALA H H 7.759 . 1 886 264 265 ALA CA C 51.725 . 1 887 264 265 ALA CB C 13.019 . 1 888 264 265 ALA N N 119.864 . 1 889 265 266 THR H H 7.356 . 1 890 265 266 THR CA C 64.975 . 1 891 265 266 THR CB C 54.526 . 1 892 265 266 THR N N 113.203 . 1 893 266 267 PHE H H 8.021 . 1 894 266 267 PHE CA C 59.488 . 1 895 266 267 PHE CB C 36.116 . 1 896 266 267 PHE N N 119.304 . 1 897 267 268 ASP H H 9.281 . 1 898 267 268 ASP CA C 54.207 . 1 899 267 268 ASP CB C 37.453 . 1 900 267 268 ASP N N 118.507 . 1 901 270 271 LYS H H 8.486 . 1 902 270 271 LYS CA C 56.423 . 1 903 270 271 LYS CB C 27.929 . 1 904 270 271 LYS N N 117.289 . 1 905 271 272 ASN H H 7.761 . 1 906 271 272 ASN CA C 52.558 . 1 907 271 272 ASN CB C 34.687 . 1 908 271 272 ASN N N 117.527 . 1 909 272 273 LEU H H 8.343 . 1 910 272 273 LEU CA C 54.420 . 1 911 272 273 LEU CB C 37.678 . 1 912 272 273 LEU N N 118.487 . 1 913 273 274 ALA H H 8.560 . 1 914 273 274 ALA CA C 51.647 . 1 915 273 274 ALA CB C 15.141 . 1 916 273 274 ALA N N 124.292 . 1 917 274 275 ASP H H 7.597 . 1 918 274 275 ASP CA C 51.433 . 1 919 274 275 ASP CB C 38.417 . 1 920 274 275 ASP N N 115.396 . 1 921 275 276 GLY H H 7.838 . 1 922 275 276 GLY CA C 42.901 . 1 923 275 276 GLY N N 108.152 . 1 924 276 277 LYS H H 7.953 . 1 925 276 277 LYS CA C 51.438 . 1 926 276 277 LYS CB C 30.593 . 1 927 276 277 LYS N N 119.850 . 1 928 277 278 GLY H H 7.945 . 1 929 277 278 GLY CA C 42.627 . 1 930 277 278 GLY N N 107.099 . 1 931 280 281 ASP H H 7.491 . 1 932 280 281 ASP CA C 53.588 . 1 933 280 281 ASP CB C 37.211 . 1 934 280 281 ASP N N 124.595 . 1 935 289 290 LYS H H 8.332 . 1 936 289 290 LYS CA C 56.571 . 1 937 289 290 LYS CB C 25.856 . 1 938 289 290 LYS N N 107.468 . 1 939 290 291 VAL H H 7.421 . 1 940 290 291 VAL CA C 57.379 . 1 941 290 291 VAL CB C 31.429 . 1 942 290 291 VAL N N 116.595 . 1 943 291 292 VAL H H 8.919 . 1 944 291 292 VAL CA C 58.126 . 1 945 291 292 VAL CB C 31.002 . 1 946 291 292 VAL N N 127.550 . 1 947 292 293 ARG H H 8.468 . 1 948 292 293 ARG CA C 50.861 . 1 949 292 293 ARG CB C 28.027 . 1 950 292 293 ARG N N 123.566 . 1 951 293 294 VAL H H 8.967 . 1 952 293 294 VAL CA C 56.534 . 1 953 293 294 VAL CB C 29.516 . 1 954 293 294 VAL N N 126.940 . 1 955 295 296 TYR H H 8.651 . 1 956 295 296 TYR CA C 54.638 . 1 957 295 296 TYR CB C 37.699 . 1 958 295 296 TYR N N 122.704 . 1 959 296 297 VAL H H 7.132 . 1 960 296 297 VAL CA C 58.683 . 1 961 296 297 VAL CB C 32.905 . 1 962 296 297 VAL N N 113.328 . 1 963 297 298 GLY H H 9.374 . 1 964 297 298 GLY CA C 43.920 . 1 965 297 298 GLY N N 115.876 . 1 966 298 299 VAL H H 8.739 . 1 967 298 299 VAL CA C 58.681 . 1 968 298 299 VAL CB C 31.223 . 1 969 298 299 VAL N N 124.119 . 1 970 299 300 ASP H H 9.122 . 1 971 299 300 ASP CA C 49.576 . 1 972 299 300 ASP CB C 38.563 . 1 973 299 300 ASP N N 125.989 . 1 974 300 301 LYS H H 8.670 . 1 975 300 301 LYS CA C 56.555 . 1 976 300 301 LYS CB C 28.713 . 1 977 300 301 LYS N N 113.916 . 1 978 301 302 ASP H H 8.217 . 1 979 301 302 ASP CA C 53.787 . 1 980 301 302 ASP CB C 37.527 . 1 981 301 302 ASP N N 118.129 . 1 982 302 303 ASN H H 7.983 . 1 983 302 303 ASN CA C 49.326 . 1 984 302 303 ASN CB C 35.359 . 1 985 302 303 ASN N N 116.659 . 1 986 303 304 LEU H H 7.472 . 1 987 303 304 LEU CA C 55.258 . 1 988 303 304 LEU CB C 38.954 . 1 989 303 304 LEU N N 121.264 . 1 990 304 305 ALA H H 8.533 . 1 991 304 305 ALA CA C 51.373 . 1 992 304 305 ALA CB C 14.857 . 1 993 304 305 ALA N N 119.010 . 1 994 305 306 GLU H H 7.889 . 1 995 305 306 GLU CA C 54.631 . 1 996 305 306 GLU CB C 25.728 . 1 997 305 306 GLU N N 115.700 . 1 998 306 307 PHE H H 7.734 . 1 999 306 307 PHE CA C 55.714 . 1 1000 306 307 PHE CB C 36.656 . 1 1001 306 307 PHE N N 116.350 . 1 1002 307 308 SER H H 7.653 . 1 1003 307 308 SER CA C 55.095 . 1 1004 307 308 SER CB C 58.268 . 1 1005 307 308 SER N N 114.248 . 1 1006 309 310 LYS H H 7.808 . 1 1007 309 310 LYS CA C 54.622 . 1 1008 309 310 LYS CB C 30.158 . 1 1009 309 310 LYS N N 127.430 . 1 stop_ save_