data_26848 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adenosyl-L-methionine ; _BMRB_accession_number 26848 _BMRB_flat_file_name bmr26848.str _Entry_type original _Submission_date 2016-07-13 _Accession_date 2016-07-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1H, 15N, 13C backbone assignments for human catechol O-methyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baxter Nicola J. . 2 Czarnota Sylwia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 "13C chemical shifts" 641 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2016-12-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26851 'COMT monomer, Sinefungin, DNC, Mg' stop_ _Original_release_date 2016-08-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with S-adenosyl-L-methionine and 3,5-dinitrocatechol ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27981425 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Czarnota Sylwia . . 2 Baxter Nicola J. . 3 Cliff Matthew J. . 4 Waltho Jonathan P. . 5 Scrutton Nigel S. . 6 Hay Sam . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 57 _Page_last 61 _Year 2017 _Details . loop_ _Keyword S-adenosyl-L-methionine Sinefungin 'backbone resonance assignment' enzyme 'transverse relaxation optimized spectroscopy' 'triple labelled protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'COMT monomer, SAM, DNC, Mg' _Enzyme_commission_number 'EC. 2. 1. 1. 6' loop_ _Mol_system_component_name _Mol_label COMT $COMT SAM $entity_SAM DNC $entity_DNC Mg $entity_MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Complex of COMT with DNC, SAM and magnesium ion' save_ ######################## # Monomeric polymers # ######################## save_COMT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common COMT _Molecular_mass 26066 _Mol_thiol_state 'all free' loop_ _Biological_function 'methyltransferase enzyme, inactivates catecholamine neurotransmitters' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 233 _Mol_residue_sequence ; MHHHHHHENLYFQGDTKEQR ILNHVLQHAEPGNAQSVLEA IDTYCEQKEWAMNVGDKKGK IVDAVIQEHQPSVLLELGAY CGYSAVRMARLLSPGARLIT IEINPDCAAITQRMVDFAGV KDKVTLVVGASQDIIPQLKK KYDVDTLDMVFLDHWKDRYL PDTLLLEECGLLRKGTVLLA DNVICPGAPDFLAHVRGSSC FECTHYQSFLEYREVVDGLE KAIYKGPGSEAGP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -11 MET 2 -10 HIS 3 -9 HIS 4 -8 HIS 5 -7 HIS 6 -6 HIS 7 -5 HIS 8 -4 GLU 9 -3 ASN 10 -2 LEU 11 -1 TYR 12 0 PHE 13 1 GLN 14 2 GLY 15 3 ASP 16 4 THR 17 5 LYS 18 6 GLU 19 7 GLN 20 8 ARG 21 9 ILE 22 10 LEU 23 11 ASN 24 12 HIS 25 13 VAL 26 14 LEU 27 15 GLN 28 16 HIS 29 17 ALA 30 18 GLU 31 19 PRO 32 20 GLY 33 21 ASN 34 22 ALA 35 23 GLN 36 24 SER 37 25 VAL 38 26 LEU 39 27 GLU 40 28 ALA 41 29 ILE 42 30 ASP 43 31 THR 44 32 TYR 45 33 CYS 46 34 GLU 47 35 GLN 48 36 LYS 49 37 GLU 50 38 TRP 51 39 ALA 52 40 MET 53 41 ASN 54 42 VAL 55 43 GLY 56 44 ASP 57 45 LYS 58 46 LYS 59 47 GLY 60 48 LYS 61 49 ILE 62 50 VAL 63 51 ASP 64 52 ALA 65 53 VAL 66 54 ILE 67 55 GLN 68 56 GLU 69 57 HIS 70 58 GLN 71 59 PRO 72 60 SER 73 61 VAL 74 62 LEU 75 63 LEU 76 64 GLU 77 65 LEU 78 66 GLY 79 67 ALA 80 68 TYR 81 69 CYS 82 70 GLY 83 71 TYR 84 72 SER 85 73 ALA 86 74 VAL 87 75 ARG 88 76 MET 89 77 ALA 90 78 ARG 91 79 LEU 92 80 LEU 93 81 SER 94 82 PRO 95 83 GLY 96 84 ALA 97 85 ARG 98 86 LEU 99 87 ILE 100 88 THR 101 89 ILE 102 90 GLU 103 91 ILE 104 92 ASN 105 93 PRO 106 94 ASP 107 95 CYS 108 96 ALA 109 97 ALA 110 98 ILE 111 99 THR 112 100 GLN 113 101 ARG 114 102 MET 115 103 VAL 116 104 ASP 117 105 PHE 118 106 ALA 119 107 GLY 120 108 VAL 121 109 LYS 122 110 ASP 123 111 LYS 124 112 VAL 125 113 THR 126 114 LEU 127 115 VAL 128 116 VAL 129 117 GLY 130 118 ALA 131 119 SER 132 120 GLN 133 121 ASP 134 122 ILE 135 123 ILE 136 124 PRO 137 125 GLN 138 126 LEU 139 127 LYS 140 128 LYS 141 129 LYS 142 130 TYR 143 131 ASP 144 132 VAL 145 133 ASP 146 134 THR 147 135 LEU 148 136 ASP 149 137 MET 150 138 VAL 151 139 PHE 152 140 LEU 153 141 ASP 154 142 HIS 155 143 TRP 156 144 LYS 157 145 ASP 158 146 ARG 159 147 TYR 160 148 LEU 161 149 PRO 162 150 ASP 163 151 THR 164 152 LEU 165 153 LEU 166 154 LEU 167 155 GLU 168 156 GLU 169 157 CYS 170 158 GLY 171 159 LEU 172 160 LEU 173 161 ARG 174 162 LYS 175 163 GLY 176 164 THR 177 165 VAL 178 166 LEU 179 167 LEU 180 168 ALA 181 169 ASP 182 170 ASN 183 171 VAL 184 172 ILE 185 173 CYS 186 174 PRO 187 175 GLY 188 176 ALA 189 177 PRO 190 178 ASP 191 179 PHE 192 180 LEU 193 181 ALA 194 182 HIS 195 183 VAL 196 184 ARG 197 185 GLY 198 186 SER 199 187 SER 200 188 CYS 201 189 PHE 202 190 GLU 203 191 CYS 204 192 THR 205 193 HIS 206 194 TYR 207 195 GLN 208 196 SER 209 197 PHE 210 198 LEU 211 199 GLU 212 200 TYR 213 201 ARG 214 202 GLU 215 203 VAL 216 204 VAL 217 205 ASP 218 206 GLY 219 207 LEU 220 208 GLU 221 209 LYS 222 210 ALA 223 211 ILE 224 212 TYR 225 213 LYS 226 214 GLY 227 215 PRO 228 216 GLY 229 217 SER 230 218 GLU 231 219 ALA 232 220 GLY 233 221 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_SAM _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common S-ADENOSYLMETHIONINE _BMRB_code SAM _PDB_code SAM _Molecular_mass 398.437 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . -1 . ? CB CB C . 0 . ? CG CG C . 0 . ? SD SD S . 1 . ? CE CE C . 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 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG2 HG2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 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 N CA ? ? SING N HN1 ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CG SD ? ? SING CG HG1 ? ? SING CG HG2 ? ? SING SD CE ? ? SING SD C5' ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? 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 O3' HO3' ? ? 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 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ save_ save_DNC _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 3,5-DINITROCATECHOL _BMRB_code DNC _PDB_code DNC _Molecular_mass 200.106 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? C3 C3 C . 0 . ? N1 N1 N . 1 . ? O3 O3 O . -1 . ? O4 O4 O . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? N2 N2 N . 1 . ? O5 O5 O . -1 . ? O6 O6 O . 0 . ? C6 C6 C . 0 . ? HO1 HO1 H . 0 . ? HO2 HO2 H . 0 . ? H4 H4 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 C1 O1 ? ? DOUB C1 C2 ? ? SING C1 C6 ? ? SING O1 HO1 ? ? SING C2 O2 ? ? SING C2 C3 ? ? SING O2 HO2 ? ? SING C3 N1 ? ? DOUB C3 C4 ? ? SING N1 O3 ? ? DOUB N1 O4 ? ? SING C4 C5 ? ? SING C4 H4 ? ? SING C5 N2 ? ? DOUB C5 C6 ? ? SING N2 O5 ? ? DOUB N2 O6 ? ? SING C6 H6 ? ? stop_ save_ save_MG _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'MAGNESIUM ION' _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $COMT Human 9606 Eukaryota Metazoa Homo sapiens sCOMT 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 $COMT 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample was perdeuterated and then back exchanged.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMT 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_SAM 5 mM 'natural abundance' $entity_DNC 5 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TRIS 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'NMR spectrometer with TCI cryoprobe equipped with Z gradients' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TROSY' _Sample_label $sample_1 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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 'TROSY offset.' loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' '3D 1H-15N TROSY' 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 COMT _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 -4 8 GLU C C 173.437 0.050 1 2 -4 8 GLU CA C 53.681 0.050 1 3 -4 8 GLU CB C 26.532 0.050 1 4 -3 9 ASN H H 8.375 0.005 1 5 -3 9 ASN C C 172.270 0.050 1 6 -3 9 ASN CA C 50.245 0.050 1 7 -3 9 ASN CB C 35.325 0.050 1 8 -3 9 ASN N N 119.497 0.050 1 9 -2 10 LEU H H 7.916 0.005 1 10 -2 10 LEU C C 174.069 0.050 1 11 -2 10 LEU CA C 52.292 0.050 1 12 -2 10 LEU CB C 38.511 0.050 1 13 -2 10 LEU N N 122.394 0.050 1 14 -1 11 TYR H H 7.782 0.005 1 15 -1 11 TYR C C 172.888 0.050 1 16 -1 11 TYR CA C 54.627 0.050 1 17 -1 11 TYR CB C 35.172 0.050 1 18 -1 11 TYR N N 119.710 0.050 1 19 0 12 PHE H H 7.999 0.005 1 20 0 12 PHE C C 172.695 0.050 1 21 0 12 PHE CA C 54.468 0.050 1 22 0 12 PHE CB C 36.145 0.050 1 23 0 12 PHE N N 121.576 0.050 1 24 1 13 GLN H H 8.265 0.005 1 25 1 13 GLN C C 173.388 0.050 1 26 1 13 GLN CA C 53.769 0.050 1 27 1 13 GLN CB C 26.608 0.050 1 28 1 13 GLN N N 121.994 0.050 1 29 2 14 GLY H H 5.596 0.005 1 30 2 14 GLY C C 171.627 0.050 1 31 2 14 GLY CA C 41.431 0.050 1 32 2 14 GLY N N 102.031 0.050 1 33 3 15 ASP C C 173.238 0.050 1 34 3 15 ASP CA C 51.364 0.050 1 35 3 15 ASP CB C 38.145 0.050 1 36 4 16 THR H H 7.315 0.005 1 37 4 16 THR C C 172.001 0.050 1 38 4 16 THR CA C 55.663 0.050 1 39 4 16 THR CB C 69.351 0.050 1 40 4 16 THR N N 108.857 0.050 1 41 5 17 LYS H H 8.905 0.005 1 42 5 17 LYS C C 174.077 0.050 1 43 5 17 LYS CA C 56.321 0.050 1 44 5 17 LYS CB C 28.523 0.050 1 45 5 17 LYS N N 123.814 0.050 1 46 6 18 GLU H H 8.004 0.005 1 47 6 18 GLU C C 175.065 0.050 1 48 6 18 GLU CA C 58.825 0.050 1 49 6 18 GLU CB C 24.337 0.050 1 50 6 18 GLU N N 115.298 0.050 1 51 7 19 GLN H H 7.340 0.005 1 52 7 19 GLN C C 175.762 0.050 1 53 7 19 GLN CA C 55.364 0.050 1 54 7 19 GLN CB C 25.287 0.050 1 55 7 19 GLN N N 117.256 0.050 1 56 8 20 ARG H H 7.955 0.005 1 57 8 20 ARG C C 177.242 0.050 1 58 8 20 ARG CA C 57.733 0.050 1 59 8 20 ARG CB C 26.701 0.050 1 60 8 20 ARG N N 119.979 0.050 1 61 9 21 ILE H H 8.064 0.005 1 62 9 21 ILE C C 174.604 0.050 1 63 9 21 ILE CA C 62.705 0.050 1 64 9 21 ILE CB C 34.234 0.050 1 65 9 21 ILE N N 122.112 0.050 1 66 10 22 LEU H H 7.304 0.005 1 67 10 22 LEU C C 174.947 0.050 1 68 10 22 LEU CA C 55.125 0.050 1 69 10 22 LEU CB C 36.752 0.050 1 70 10 22 LEU N N 118.787 0.050 1 71 11 23 ASN H H 8.599 0.005 1 72 11 23 ASN C C 174.863 0.050 1 73 11 23 ASN CA C 52.838 0.050 1 74 11 23 ASN CB C 34.315 0.050 1 75 11 23 ASN N N 116.556 0.050 1 76 12 24 HIS H H 7.774 0.005 1 77 12 24 HIS C C 175.734 0.050 1 78 12 24 HIS CA C 58.038 0.050 1 79 12 24 HIS CB C 27.465 0.050 1 80 12 24 HIS N N 120.394 0.050 1 81 13 25 VAL H H 7.704 0.005 1 82 13 25 VAL C C 174.599 0.050 1 83 13 25 VAL CA C 64.222 0.050 1 84 13 25 VAL CB C 28.317 0.050 1 85 13 25 VAL N N 121.049 0.050 1 86 14 26 LEU H H 8.184 0.005 1 87 14 26 LEU C C 177.077 0.050 1 88 14 26 LEU CA C 53.982 0.050 1 89 14 26 LEU CB C 37.163 0.050 1 90 14 26 LEU N N 116.150 0.050 1 91 15 27 GLN H H 7.292 0.005 1 92 15 27 GLN C C 174.175 0.050 1 93 15 27 GLN CA C 53.570 0.050 1 94 15 27 GLN CB C 26.628 0.050 1 95 15 27 GLN N N 114.520 0.050 1 96 16 28 HIS H H 7.565 0.005 1 97 16 28 HIS C C 172.518 0.050 1 98 16 28 HIS CA C 54.822 0.050 1 99 16 28 HIS CB C 28.172 0.050 1 100 16 28 HIS N N 114.586 0.050 1 101 17 29 ALA H H 8.804 0.005 1 102 17 29 ALA C C 172.353 0.050 1 103 17 29 ALA CA C 48.041 0.050 1 104 17 29 ALA CB C 17.451 0.050 1 105 17 29 ALA N N 123.754 0.050 1 106 18 30 GLU H H 8.485 0.005 1 107 18 30 GLU C C 170.348 0.050 1 108 18 30 GLU CA C 49.569 0.050 1 109 18 30 GLU CB C 27.330 0.050 1 110 18 30 GLU N N 122.143 0.050 1 111 19 31 PRO C C 175.829 0.050 1 112 19 31 PRO CA C 59.696 0.050 1 113 19 31 PRO CB C 27.592 0.050 1 114 20 32 GLY H H 8.122 0.005 1 115 20 32 GLY C C 169.465 0.050 1 116 20 32 GLY CA C 42.176 0.050 1 117 20 32 GLY N N 110.249 0.050 1 118 21 33 ASN H H 7.501 0.005 1 119 21 33 ASN C C 172.284 0.050 1 120 21 33 ASN CA C 47.694 0.050 1 121 21 33 ASN CB C 35.049 0.050 1 122 21 33 ASN N N 118.436 0.050 1 123 22 34 ALA H H 8.375 0.005 1 124 22 34 ALA C C 175.810 0.050 1 125 22 34 ALA CA C 52.900 0.050 1 126 22 34 ALA CB C 15.014 0.050 1 127 22 34 ALA N N 127.815 0.050 1 128 23 35 GLN H H 8.111 0.005 1 129 23 35 GLN C C 174.811 0.050 1 130 23 35 GLN CA C 55.934 0.050 1 131 23 35 GLN CB C 24.235 0.050 1 132 23 35 GLN N N 116.925 0.050 1 133 24 36 SER H H 7.446 0.005 1 134 24 36 SER C C 175.313 0.050 1 135 24 36 SER CA C 57.495 0.050 1 136 24 36 SER CB C 59.608 0.050 1 137 24 36 SER N N 114.085 0.050 1 138 25 37 VAL H H 7.579 0.005 1 139 25 37 VAL C C 174.012 0.050 1 140 25 37 VAL CA C 64.213 0.050 1 141 25 37 VAL CB C 27.591 0.050 1 142 25 37 VAL N N 122.974 0.050 1 143 26 38 LEU H H 7.754 0.005 1 144 26 38 LEU C C 175.753 0.050 1 145 26 38 LEU CA C 55.117 0.050 1 146 26 38 LEU CB C 37.550 0.050 1 147 26 38 LEU N N 117.856 0.050 1 148 27 39 GLU H H 8.057 0.005 1 149 27 39 GLU C C 177.274 0.050 1 150 27 39 GLU CA C 55.762 0.050 1 151 27 39 GLU CB C 26.035 0.050 1 152 27 39 GLU N N 116.315 0.050 1 153 28 40 ALA H H 8.159 0.005 1 154 28 40 ALA C C 176.680 0.050 1 155 28 40 ALA CA C 52.096 0.050 1 156 28 40 ALA CB C 15.114 0.050 1 157 28 40 ALA N N 123.605 0.050 1 158 29 41 ILE H H 8.109 0.005 1 159 29 41 ILE C C 174.743 0.050 1 160 29 41 ILE CA C 63.697 0.050 1 161 29 41 ILE CB C 34.700 0.050 1 162 29 41 ILE N N 118.646 0.050 1 163 30 42 ASP H H 8.742 0.005 1 164 30 42 ASP C C 176.148 0.050 1 165 30 42 ASP CA C 55.154 0.050 1 166 30 42 ASP CB C 36.368 0.050 1 167 30 42 ASP N N 118.419 0.050 1 168 31 43 THR H H 8.307 0.005 1 169 31 43 THR C C 175.955 0.050 1 170 31 43 THR CA C 63.691 0.050 1 171 31 43 THR CB C 65.412 0.050 1 172 31 43 THR N N 115.750 0.050 1 173 32 44 TYR H H 7.933 0.005 1 174 32 44 TYR C C 176.308 0.050 1 175 32 44 TYR CA C 61.907 0.050 1 176 32 44 TYR CB C 32.232 0.050 1 177 32 44 TYR N N 120.785 0.050 1 178 33 45 CYS H H 8.447 0.005 1 179 33 45 CYS C C 175.232 0.050 1 180 33 45 CYS CA C 55.664 0.050 1 181 33 45 CYS CB C 25.067 0.050 1 182 33 45 CYS N N 118.648 0.050 1 183 34 46 GLU H H 7.915 0.005 1 184 34 46 GLU C C 175.518 0.050 1 185 34 46 GLU CA C 55.599 0.050 1 186 34 46 GLU CB C 26.166 0.050 1 187 34 46 GLU N N 118.455 0.050 1 188 35 47 GLN H H 7.593 0.005 1 189 35 47 GLN C C 174.296 0.050 1 190 35 47 GLN CA C 54.221 0.050 1 191 35 47 GLN CB C 26.538 0.050 1 192 35 47 GLN N N 113.321 0.050 1 193 36 48 LYS H H 8.097 0.005 1 194 36 48 LYS C C 173.391 0.050 1 195 36 48 LYS CA C 53.817 0.050 1 196 36 48 LYS CB C 28.645 0.050 1 197 36 48 LYS N N 117.997 0.050 1 198 37 49 GLU H H 6.443 0.005 1 199 37 49 GLU C C 169.000 0.050 1 200 37 49 GLU CA C 52.287 0.050 1 201 37 49 GLU CB C 29.846 0.050 1 202 37 49 GLU N N 116.181 0.050 1 203 38 50 TRP H H 8.159 0.005 1 204 38 50 TRP C C 172.670 0.050 1 205 38 50 TRP CA C 58.412 0.050 1 206 38 50 TRP CB C 26.017 0.050 1 207 38 50 TRP N N 123.591 0.050 1 208 39 51 ALA H H 5.695 0.005 1 209 39 51 ALA C C 173.279 0.050 1 210 39 51 ALA CA C 47.711 0.050 1 211 39 51 ALA CB C 20.335 0.050 1 212 39 51 ALA N N 124.785 0.050 1 213 40 52 MET H H 6.934 0.005 1 214 40 52 MET C C 174.733 0.050 1 215 40 52 MET CA C 52.100 0.050 1 216 40 52 MET CB C 26.441 0.050 1 217 40 52 MET N N 114.902 0.050 1 218 41 53 ASN H H 7.152 0.005 1 219 41 53 ASN C C 172.566 0.050 1 220 41 53 ASN CA C 49.172 0.050 1 221 41 53 ASN CB C 35.532 0.050 1 222 41 53 ASN N N 121.514 0.050 1 223 42 54 VAL H H 9.720 0.005 1 224 42 54 VAL C C 173.342 0.050 1 225 42 54 VAL CA C 62.349 0.050 1 226 42 54 VAL CB C 27.497 0.050 1 227 42 54 VAL N N 120.152 0.050 1 228 44 56 ASP C C 175.531 0.050 1 229 45 57 LYS H H 7.966 0.005 1 230 45 57 LYS C C 172.245 0.050 1 231 45 57 LYS CA C 54.893 0.050 1 232 45 57 LYS CB C 26.015 0.050 1 233 45 57 LYS N N 115.349 0.050 1 234 46 58 LYS H H 8.683 0.005 1 235 46 58 LYS C C 169.607 0.050 1 236 46 58 LYS CA C 52.473 0.050 1 237 46 58 LYS CB C 24.364 0.050 1 238 46 58 LYS N N 117.225 0.050 1 239 47 59 GLY C C 172.136 0.050 1 240 47 59 GLY CA C 43.871 0.050 1 241 48 60 LYS H H 7.276 0.005 1 242 48 60 LYS C C 177.004 0.050 1 243 48 60 LYS CA C 56.312 0.050 1 244 48 60 LYS CB C 29.049 0.050 1 245 48 60 LYS N N 120.643 0.050 1 246 49 61 ILE H H 7.001 0.005 1 247 49 61 ILE C C 174.322 0.050 1 248 49 61 ILE CA C 61.227 0.050 1 249 49 61 ILE CB C 33.067 0.050 1 250 49 61 ILE N N 122.254 0.050 1 251 50 62 VAL H H 7.380 0.005 1 252 50 62 VAL C C 174.891 0.050 1 253 50 62 VAL CA C 64.109 0.050 1 254 50 62 VAL CB C 27.331 0.050 1 255 50 62 VAL N N 120.119 0.050 1 256 51 63 ASP H H 8.377 0.005 1 257 51 63 ASP C C 174.849 0.050 1 258 51 63 ASP CA C 53.397 0.050 1 259 51 63 ASP CB C 36.666 0.050 1 260 51 63 ASP N N 117.009 0.050 1 261 52 64 ALA H H 7.169 0.005 1 262 52 64 ALA C C 178.188 0.050 1 263 52 64 ALA CA C 51.737 0.050 1 264 52 64 ALA CB C 14.393 0.050 1 265 52 64 ALA N N 121.419 0.050 1 266 53 65 VAL C C 173.112 0.050 1 267 53 65 VAL CA C 63.884 0.050 1 268 54 66 ILE H H 7.707 0.005 1 269 54 66 ILE C C 175.553 0.050 1 270 54 66 ILE CA C 59.858 0.050 1 271 54 66 ILE CB C 34.569 0.050 1 272 54 66 ILE N N 123.135 0.050 1 273 55 67 GLN H H 8.320 0.005 1 274 55 67 GLN C C 172.404 0.050 1 275 55 67 GLN CA C 57.188 0.050 1 276 55 67 GLN CB C 23.640 0.050 1 277 55 67 GLN N N 118.231 0.050 1 278 56 68 GLU H H 7.583 0.005 1 279 56 68 GLU C C 175.722 0.050 1 280 56 68 GLU CA C 55.602 0.050 1 281 56 68 GLU CB C 26.672 0.050 1 282 56 68 GLU N N 117.703 0.050 1 283 57 69 HIS H H 8.476 0.005 1 284 57 69 HIS C C 175.253 0.050 1 285 57 69 HIS CA C 56.591 0.050 1 286 57 69 HIS CB C 30.610 0.050 1 287 57 69 HIS N N 115.379 0.050 1 288 59 71 PRO C C 172.873 0.050 1 289 59 71 PRO CA C 59.861 0.050 1 290 59 71 PRO CB C 30.114 0.050 1 291 60 72 SER H H 8.722 0.005 1 292 60 72 SER C C 171.677 0.050 1 293 60 72 SER CA C 56.895 0.050 1 294 60 72 SER CB C 61.091 0.050 1 295 60 72 SER N N 116.439 0.050 1 296 61 73 VAL H H 8.665 0.005 1 297 61 73 VAL C C 171.538 0.050 1 298 61 73 VAL CA C 59.703 0.050 1 299 61 73 VAL CB C 29.611 0.050 1 300 61 73 VAL N N 123.171 0.050 1 301 62 74 LEU H H 8.855 0.005 1 302 62 74 LEU C C 170.748 0.050 1 303 62 74 LEU CA C 50.876 0.050 1 304 62 74 LEU CB C 42.947 0.050 1 305 62 74 LEU N N 132.113 0.050 1 306 63 75 LEU H H 8.544 0.005 1 307 63 75 LEU C C 170.639 0.050 1 308 63 75 LEU CA C 49.202 0.050 1 309 63 75 LEU CB C 43.444 0.050 1 310 63 75 LEU N N 124.981 0.050 1 311 64 76 GLU H H 9.759 0.005 1 312 64 76 GLU C C 170.519 0.050 1 313 64 76 GLU CA C 51.195 0.050 1 314 64 76 GLU CB C 29.641 0.050 1 315 64 76 GLU N N 128.832 0.050 1 316 65 77 LEU H H 8.212 0.005 1 317 65 77 LEU C C 169.776 0.050 1 318 65 77 LEU CA C 49.304 0.050 1 319 65 77 LEU CB C 34.465 0.050 1 320 65 77 LEU N N 125.139 0.050 1 321 66 78 GLY H H 7.848 0.005 1 322 66 78 GLY C C 168.696 0.050 1 323 66 78 GLY CA C 43.261 0.050 1 324 66 78 GLY N N 109.121 0.050 1 325 67 79 ALA H H 7.384 0.005 1 326 67 79 ALA C C 178.623 0.050 1 327 67 79 ALA CA C 51.630 0.050 1 328 67 79 ALA CB C 17.557 0.050 1 329 67 79 ALA N N 132.055 0.050 1 330 68 80 TYR H H 9.452 0.005 1 331 68 80 TYR C C 168.606 0.050 1 332 68 80 TYR CA C 56.780 0.050 1 333 68 80 TYR CB C 32.986 0.050 1 334 68 80 TYR N N 119.119 0.050 1 335 69 81 CYS H H 8.483 0.005 1 336 69 81 CYS C C 170.512 0.050 1 337 69 81 CYS CA C 56.725 0.050 1 338 69 81 CYS CB C 24.748 0.050 1 339 69 81 CYS N N 121.226 0.050 1 340 70 82 GLY H H 7.646 0.005 1 341 70 82 GLY C C 171.813 0.050 1 342 70 82 GLY CA C 42.264 0.050 1 343 70 82 GLY N N 104.034 0.050 1 344 71 83 TYR H H 8.486 0.005 1 345 71 83 TYR C C 173.851 0.050 1 346 71 83 TYR CA C 60.186 0.050 1 347 71 83 TYR CB C 33.122 0.050 1 348 71 83 TYR N N 120.912 0.050 1 349 72 84 SER H H 8.347 0.005 1 350 72 84 SER C C 174.029 0.050 1 351 72 84 SER CA C 58.684 0.050 1 352 72 84 SER CB C 57.071 0.050 1 353 72 84 SER N N 114.224 0.050 1 354 73 85 ALA H H 9.048 0.005 1 355 73 85 ALA C C 177.087 0.050 1 356 73 85 ALA CA C 52.264 0.050 1 357 73 85 ALA CB C 13.165 0.050 1 358 73 85 ALA N N 129.013 0.050 1 359 74 86 VAL H H 8.167 0.005 1 360 74 86 VAL C C 174.400 0.050 1 361 74 86 VAL CA C 63.672 0.050 1 362 74 86 VAL CB C 27.485 0.050 1 363 74 86 VAL N N 117.547 0.050 1 364 75 87 ARG H H 7.950 0.005 1 365 75 87 ARG C C 172.734 0.050 1 366 75 87 ARG CA C 52.410 0.050 1 367 75 87 ARG CB C 27.247 0.050 1 368 75 87 ARG N N 120.374 0.050 1 369 76 88 MET C C 175.219 0.050 1 370 77 89 ALA H H 8.454 0.005 1 371 77 89 ALA C C 177.914 0.050 1 372 77 89 ALA CA C 51.778 0.050 1 373 77 89 ALA CB C 14.394 0.050 1 374 77 89 ALA N N 118.116 0.050 1 375 78 90 ARG H H 7.476 0.005 1 376 78 90 ARG C C 172.995 0.050 1 377 78 90 ARG CA C 53.924 0.050 1 378 78 90 ARG CB C 24.067 0.050 1 379 78 90 ARG N N 114.714 0.050 1 380 79 91 LEU H H 7.050 0.005 1 381 79 91 LEU C C 174.632 0.050 1 382 79 91 LEU CA C 50.995 0.050 1 383 79 91 LEU CB C 40.065 0.050 1 384 79 91 LEU N N 119.278 0.050 1 385 80 92 LEU H H 6.905 0.005 1 386 80 92 LEU C C 174.274 0.050 1 387 80 92 LEU CA C 51.188 0.050 1 388 80 92 LEU CB C 38.005 0.050 1 389 80 92 LEU N N 118.729 0.050 1 390 81 93 SER H H 8.214 0.005 1 391 81 93 SER C C 174.269 0.050 1 392 81 93 SER CA C 54.486 0.050 1 393 81 93 SER CB C 59.037 0.050 1 394 81 93 SER N N 118.956 0.050 1 395 83 95 GLY C C 171.496 0.050 1 396 83 95 GLY CA C 41.828 0.050 1 397 84 96 ALA H H 7.677 0.005 1 398 84 96 ALA C C 173.570 0.050 1 399 84 96 ALA CA C 48.922 0.050 1 400 84 96 ALA CB C 19.113 0.050 1 401 84 96 ALA N N 124.260 0.050 1 402 85 97 ARG H H 8.563 0.005 1 403 85 97 ARG C C 169.743 0.050 1 404 85 97 ARG CA C 52.269 0.050 1 405 85 97 ARG CB C 30.921 0.050 1 406 85 97 ARG N N 117.227 0.050 1 407 86 98 LEU H H 8.549 0.005 1 408 86 98 LEU C C 172.237 0.050 1 409 86 98 LEU CA C 50.272 0.050 1 410 86 98 LEU CB C 40.575 0.050 1 411 86 98 LEU N N 125.165 0.050 1 412 87 99 ILE H H 9.025 0.005 1 413 87 99 ILE C C 171.019 0.050 1 414 87 99 ILE CA C 56.812 0.050 1 415 87 99 ILE CB C 36.036 0.050 1 416 87 99 ILE N N 129.620 0.050 1 417 88 100 THR H H 8.837 0.005 1 418 88 100 THR C C 168.781 0.050 1 419 88 100 THR CA C 54.891 0.050 1 420 88 100 THR CB C 65.168 0.050 1 421 88 100 THR N N 124.217 0.050 1 422 89 101 ILE H H 7.963 0.005 1 423 89 101 ILE C C 172.451 0.050 1 424 89 101 ILE CA C 56.623 0.050 1 425 89 101 ILE CB C 36.080 0.050 1 426 89 101 ILE N N 126.952 0.050 1 427 90 102 GLU H H 8.434 0.005 1 428 90 102 GLU C C 170.849 0.050 1 429 90 102 GLU CA C 50.612 0.050 1 430 90 102 GLU CB C 29.750 0.050 1 431 90 102 GLU N N 127.608 0.050 1 432 91 103 ILE H H 6.487 0.005 1 433 91 103 ILE C C 170.952 0.050 1 434 91 103 ILE CA C 59.595 0.050 1 435 91 103 ILE CB C 36.334 0.050 1 436 91 103 ILE N N 129.488 0.050 1 437 92 104 ASN H H 9.469 0.005 1 438 92 104 ASN C C 172.038 0.050 1 439 92 104 ASN CA C 47.475 0.050 1 440 92 104 ASN CB C 36.474 0.050 1 441 92 104 ASN N N 124.279 0.050 1 442 93 105 PRO C C 176.048 0.050 1 443 93 105 PRO CA C 61.672 0.050 1 444 93 105 PRO CB C 28.992 0.050 1 445 94 106 ASP H H 7.846 0.005 1 446 94 106 ASP C C 176.778 0.050 1 447 94 106 ASP CA C 54.385 0.050 1 448 94 106 ASP CB C 36.507 0.050 1 449 94 106 ASP N N 119.920 0.050 1 450 95 107 CYS H H 7.458 0.005 1 451 95 107 CYS C C 173.784 0.050 1 452 95 107 CYS CA C 59.796 0.050 1 453 95 107 CYS CB C 22.639 0.050 1 454 95 107 CYS N N 118.748 0.050 1 455 96 108 ALA H H 8.478 0.005 1 456 96 108 ALA C C 175.101 0.050 1 457 96 108 ALA CA C 52.219 0.050 1 458 96 108 ALA CB C 15.699 0.050 1 459 96 108 ALA N N 122.947 0.050 1 460 97 109 ALA H H 7.452 0.005 1 461 97 109 ALA C C 178.153 0.050 1 462 97 109 ALA CA C 51.889 0.050 1 463 97 109 ALA CB C 14.299 0.050 1 464 97 109 ALA N N 118.640 0.050 1 465 98 110 ILE H H 7.030 0.005 1 466 98 110 ILE C C 174.632 0.050 1 467 98 110 ILE CA C 60.978 0.050 1 468 98 110 ILE CB C 33.076 0.050 1 469 98 110 ILE N N 119.822 0.050 1 470 99 111 THR H H 8.503 0.005 1 471 99 111 THR C C 173.515 0.050 1 472 99 111 THR CA C 64.570 0.050 1 473 99 111 THR CB C 63.689 0.050 1 474 99 111 THR N N 118.040 0.050 1 475 100 112 GLN H H 8.059 0.005 1 476 100 112 GLN C C 175.143 0.050 1 477 100 112 GLN CA C 55.624 0.050 1 478 100 112 GLN CB C 25.186 0.050 1 479 100 112 GLN N N 118.827 0.050 1 480 101 113 ARG H H 7.086 0.005 1 481 101 113 ARG C C 176.043 0.050 1 482 101 113 ARG CA C 55.242 0.050 1 483 101 113 ARG CB C 26.341 0.050 1 484 101 113 ARG N N 117.459 0.050 1 485 102 114 MET H H 8.756 0.005 1 486 102 114 MET C C 176.152 0.050 1 487 102 114 MET CA C 55.012 0.050 1 488 102 114 MET CB C 30.286 0.050 1 489 102 114 MET N N 123.846 0.050 1 490 103 115 VAL H H 8.492 0.005 1 491 103 115 VAL C C 175.108 0.050 1 492 103 115 VAL CA C 62.056 0.050 1 493 103 115 VAL CB C 27.951 0.050 1 494 103 115 VAL N N 115.722 0.050 1 495 104 116 ASP H H 7.783 0.005 1 496 104 116 ASP C C 177.284 0.050 1 497 104 116 ASP CA C 53.873 0.050 1 498 104 116 ASP CB C 37.569 0.050 1 499 104 116 ASP N N 120.493 0.050 1 500 105 117 PHE H H 8.464 0.005 1 501 105 117 PHE C C 174.590 0.050 1 502 105 117 PHE CA C 58.709 0.050 1 503 105 117 PHE CB C 36.004 0.050 1 504 105 117 PHE N N 122.632 0.050 1 505 106 118 ALA H H 8.290 0.005 1 506 106 118 ALA C C 173.097 0.050 1 507 106 118 ALA CA C 49.681 0.050 1 508 106 118 ALA CB C 17.811 0.050 1 509 106 118 ALA N N 116.355 0.050 1 510 107 119 GLY H H 7.437 0.005 1 511 107 119 GLY C C 173.405 0.050 1 512 107 119 GLY CA C 43.001 0.050 1 513 107 119 GLY N N 102.253 0.050 1 514 108 120 VAL H H 7.268 0.005 1 515 108 120 VAL C C 173.317 0.050 1 516 108 120 VAL CA C 56.254 0.050 1 517 108 120 VAL CB C 27.621 0.050 1 518 108 120 VAL N N 108.154 0.050 1 519 109 121 LYS H H 7.842 0.005 1 520 109 121 LYS C C 174.315 0.050 1 521 109 121 LYS CA C 56.407 0.050 1 522 109 121 LYS CB C 28.927 0.050 1 523 109 121 LYS N N 122.584 0.050 1 524 110 122 ASP H H 8.511 0.005 1 525 110 122 ASP C C 174.234 0.050 1 526 110 122 ASP CA C 52.703 0.050 1 527 110 122 ASP CB C 36.426 0.050 1 528 110 122 ASP N N 116.128 0.050 1 529 111 123 LYS H H 7.464 0.005 1 530 111 123 LYS C C 172.498 0.050 1 531 111 123 LYS CA C 53.075 0.050 1 532 111 123 LYS CB C 31.651 0.050 1 533 111 123 LYS N N 116.460 0.050 1 534 112 124 VAL H H 7.047 0.005 1 535 112 124 VAL C C 172.370 0.050 1 536 112 124 VAL CA C 58.589 0.050 1 537 112 124 VAL CB C 30.909 0.050 1 538 112 124 VAL N N 119.196 0.050 1 539 113 125 THR H H 9.099 0.005 1 540 113 125 THR C C 169.192 0.050 1 541 113 125 THR CA C 58.751 0.050 1 542 113 125 THR CB C 67.769 0.050 1 543 113 125 THR N N 125.675 0.050 1 544 114 126 LEU H H 8.754 0.005 1 545 114 126 LEU C C 172.805 0.050 1 546 114 126 LEU CA C 50.447 0.050 1 547 114 126 LEU CB C 39.556 0.050 1 548 114 126 LEU N N 130.940 0.050 1 549 115 127 VAL H H 9.252 0.005 1 550 115 127 VAL C C 171.047 0.050 1 551 115 127 VAL CA C 58.419 0.050 1 552 115 127 VAL CB C 29.986 0.050 1 553 115 127 VAL N N 130.354 0.050 1 554 116 128 VAL H H 8.203 0.005 1 555 116 128 VAL C C 173.276 0.050 1 556 116 128 VAL CA C 57.767 0.050 1 557 116 128 VAL CB C 27.344 0.050 1 558 116 128 VAL N N 127.147 0.050 1 559 117 129 GLY H H 7.913 0.005 1 560 117 129 GLY C C 166.776 0.050 1 561 117 129 GLY CA C 40.517 0.050 1 562 117 129 GLY N N 116.383 0.050 1 563 118 130 ALA H H 8.598 0.005 1 564 118 130 ALA C C 177.650 0.050 1 565 118 130 ALA CA C 47.568 0.050 1 566 118 130 ALA CB C 15.364 0.050 1 567 118 130 ALA N N 119.808 0.050 1 568 119 131 SER H H 11.148 0.005 1 569 119 131 SER C C 173.046 0.050 1 570 119 131 SER CA C 59.937 0.050 1 571 119 131 SER CB C 57.899 0.050 1 572 119 131 SER N N 125.294 0.050 1 573 120 132 GLN H H 9.963 0.005 1 574 120 132 GLN C C 173.123 0.050 1 575 120 132 GLN CA C 55.053 0.050 1 576 120 132 GLN CB C 22.853 0.050 1 577 120 132 GLN N N 121.637 0.050 1 578 121 133 ASP H H 7.448 0.005 1 579 121 133 ASP C C 175.500 0.050 1 580 121 133 ASP CA C 52.327 0.050 1 581 121 133 ASP CB C 38.002 0.050 1 582 121 133 ASP N N 118.556 0.050 1 583 122 134 ILE H H 7.860 0.005 1 584 122 134 ILE C C 175.373 0.050 1 585 122 134 ILE CA C 57.798 0.050 1 586 122 134 ILE CB C 33.847 0.050 1 587 122 134 ILE N N 121.051 0.050 1 588 123 135 ILE H H 8.713 0.005 1 589 123 135 ILE C C 172.430 0.050 1 590 123 135 ILE CA C 64.954 0.050 1 591 123 135 ILE CB C 33.009 0.050 1 592 123 135 ILE N N 121.410 0.050 1 593 124 136 PRO C C 173.882 0.050 1 594 124 136 PRO CA C 61.984 0.050 1 595 124 136 PRO CB C 28.051 0.050 1 596 125 137 GLN H H 7.974 0.005 1 597 125 137 GLN C C 174.164 0.050 1 598 125 137 GLN CA C 52.154 0.050 1 599 125 137 GLN CB C 26.936 0.050 1 600 125 137 GLN N N 114.346 0.050 1 601 126 138 LEU H H 7.561 0.005 1 602 126 138 LEU C C 176.196 0.050 1 603 126 138 LEU CA C 56.185 0.050 1 604 126 138 LEU CB C 38.240 0.050 1 605 126 138 LEU N N 121.756 0.050 1 606 127 139 LYS H H 8.684 0.005 1 607 127 139 LYS C C 176.606 0.050 1 608 127 139 LYS CA C 56.506 0.050 1 609 127 139 LYS CB C 29.166 0.050 1 610 127 139 LYS N N 117.226 0.050 1 611 128 140 LYS H H 7.837 0.005 1 612 128 140 LYS C C 175.802 0.050 1 613 128 140 LYS CA C 54.688 0.050 1 614 128 140 LYS CB C 29.588 0.050 1 615 128 140 LYS N N 116.233 0.050 1 616 129 141 LYS H H 8.300 0.005 1 617 129 141 LYS C C 174.332 0.050 1 618 129 141 LYS CA C 53.996 0.050 1 619 129 141 LYS CB C 30.398 0.050 1 620 129 141 LYS N N 116.161 0.050 1 621 130 142 TYR H H 7.172 0.005 1 622 130 142 TYR C C 171.618 0.050 1 623 130 142 TYR CA C 55.031 0.050 1 624 130 142 TYR CB C 34.559 0.050 1 625 130 142 TYR N N 114.293 0.050 1 626 131 143 ASP H H 7.606 0.005 1 627 131 143 ASP C C 171.923 0.050 1 628 131 143 ASP CA C 52.492 0.050 1 629 131 143 ASP CB C 35.809 0.050 1 630 131 143 ASP N N 116.926 0.050 1 631 132 144 VAL H H 7.194 0.005 1 632 132 144 VAL C C 171.755 0.050 1 633 132 144 VAL CA C 58.376 0.050 1 634 132 144 VAL CB C 30.128 0.050 1 635 132 144 VAL N N 118.212 0.050 1 636 133 145 ASP H H 8.744 0.005 1 637 133 145 ASP C C 171.506 0.050 1 638 133 145 ASP CA C 52.148 0.050 1 639 133 145 ASP CB C 37.787 0.050 1 640 133 145 ASP N N 125.369 0.050 1 641 134 146 THR H H 6.976 0.005 1 642 134 146 THR C C 170.921 0.050 1 643 134 146 THR CA C 56.005 0.050 1 644 134 146 THR CB C 69.528 0.050 1 645 134 146 THR N N 102.874 0.050 1 646 135 147 LEU H H 8.367 0.005 1 647 135 147 LEU C C 172.656 0.050 1 648 135 147 LEU CA C 50.011 0.050 1 649 135 147 LEU CB C 39.700 0.050 1 650 135 147 LEU N N 118.889 0.050 1 651 136 148 ASP H H 8.426 0.005 1 652 136 148 ASP C C 174.331 0.050 1 653 136 148 ASP CA C 53.303 0.050 1 654 136 148 ASP CB C 39.682 0.050 1 655 136 148 ASP N N 119.341 0.050 1 656 137 149 MET H H 7.609 0.005 1 657 137 149 MET C C 169.660 0.050 1 658 137 149 MET CA C 51.072 0.050 1 659 137 149 MET CB C 31.847 0.050 1 660 137 149 MET N N 119.787 0.050 1 661 138 150 VAL H H 9.145 0.005 1 662 138 150 VAL C C 171.072 0.050 1 663 138 150 VAL CA C 56.454 0.050 1 664 138 150 VAL CB C 31.948 0.050 1 665 138 150 VAL N N 126.938 0.050 1 666 139 151 PHE H H 9.463 0.005 1 667 139 151 PHE C C 170.853 0.050 1 668 139 151 PHE CA C 50.940 0.050 1 669 139 151 PHE CB C 37.484 0.050 1 670 139 151 PHE N N 128.492 0.050 1 671 140 152 LEU H H 8.741 0.005 1 672 140 152 LEU C C 170.649 0.050 1 673 140 152 LEU CA C 52.553 0.050 1 674 140 152 LEU CB C 36.962 0.050 1 675 140 152 LEU N N 127.760 0.050 1 676 141 153 ASP H H 7.122 0.005 1 677 141 153 ASP C C 171.756 0.050 1 678 141 153 ASP CA C 50.175 0.050 1 679 141 153 ASP CB C 38.191 0.050 1 680 141 153 ASP N N 118.166 0.050 1 681 142 154 HIS H H 10.062 0.005 1 682 142 154 HIS C C 172.662 0.050 1 683 142 154 HIS CA C 50.312 0.050 1 684 142 154 HIS CB C 22.768 0.050 1 685 142 154 HIS N N 121.591 0.050 1 686 143 155 TRP H H 5.745 0.005 1 687 143 155 TRP C C 176.258 0.050 1 688 143 155 TRP CA C 53.724 0.050 1 689 143 155 TRP CB C 27.078 0.050 1 690 143 155 TRP N N 120.336 0.050 1 691 144 156 LYS H H 8.160 0.005 1 692 144 156 LYS C C 176.317 0.050 1 693 144 156 LYS CA C 53.569 0.050 1 694 144 156 LYS CB C 24.777 0.050 1 695 144 156 LYS N N 116.714 0.050 1 696 145 157 ASP H H 8.443 0.005 1 697 145 157 ASP C C 173.950 0.050 1 698 145 157 ASP CA C 51.724 0.050 1 699 145 157 ASP CB C 35.892 0.050 1 700 145 157 ASP N N 117.275 0.050 1 701 146 158 ARG H H 7.666 0.005 1 702 146 158 ARG C C 174.822 0.050 1 703 146 158 ARG CA C 51.703 0.050 1 704 146 158 ARG CB C 25.312 0.050 1 705 146 158 ARG N N 115.653 0.050 1 706 147 159 TYR H H 7.319 0.005 1 707 147 159 TYR C C 174.868 0.050 1 708 147 159 TYR CA C 57.468 0.050 1 709 147 159 TYR CB C 32.166 0.050 1 710 147 159 TYR N N 120.670 0.050 1 711 148 160 LEU H H 9.644 0.005 1 712 148 160 LEU C C 171.291 0.050 1 713 148 160 LEU CA C 56.072 0.050 1 714 148 160 LEU CB C 34.973 0.050 1 715 148 160 LEU N N 119.193 0.050 1 716 149 161 PRO C C 177.257 0.050 1 717 149 161 PRO CA C 63.336 0.050 1 718 150 162 ASP H H 8.081 0.005 1 719 150 162 ASP C C 175.657 0.050 1 720 150 162 ASP CA C 54.678 0.050 1 721 150 162 ASP CB C 35.374 0.050 1 722 150 162 ASP N N 117.799 0.050 1 723 151 163 THR H H 7.708 0.005 1 724 151 163 THR C C 173.791 0.050 1 725 151 163 THR CA C 66.664 0.050 1 726 151 163 THR CB C 64.608 0.050 1 727 151 163 THR N N 121.588 0.050 1 728 152 164 LEU H H 7.948 0.005 1 729 152 164 LEU C C 177.377 0.050 1 730 152 164 LEU CA C 54.689 0.050 1 731 152 164 LEU CB C 36.658 0.050 1 732 152 164 LEU N N 120.375 0.050 1 733 153 165 LEU H H 7.989 0.005 1 734 153 165 LEU C C 176.464 0.050 1 735 153 165 LEU CA C 54.546 0.050 1 736 153 165 LEU CB C 39.425 0.050 1 737 153 165 LEU N N 122.363 0.050 1 738 154 166 LEU H H 8.475 0.005 1 739 154 166 LEU C C 175.690 0.050 1 740 154 166 LEU CA C 55.658 0.050 1 741 154 166 LEU CB C 38.657 0.050 1 742 154 166 LEU N N 120.543 0.050 1 743 155 167 GLU H H 7.413 0.005 1 744 155 167 GLU C C 177.893 0.050 1 745 155 167 GLU CA C 55.423 0.050 1 746 155 167 GLU CB C 26.576 0.050 1 747 155 167 GLU N N 117.497 0.050 1 748 156 168 GLU H H 8.686 0.005 1 749 156 168 GLU C C 176.130 0.050 1 750 156 168 GLU CA C 56.169 0.050 1 751 156 168 GLU CB C 26.492 0.050 1 752 156 168 GLU N N 123.559 0.050 1 753 157 169 CYS H H 8.118 0.005 1 754 157 169 CYS C C 172.101 0.050 1 755 157 169 CYS CA C 58.102 0.050 1 756 157 169 CYS CB C 24.713 0.050 1 757 157 169 CYS N N 113.604 0.050 1 758 158 170 GLY H H 7.758 0.005 1 759 158 170 GLY C C 173.513 0.050 1 760 158 170 GLY CA C 43.996 0.050 1 761 158 170 GLY N N 108.570 0.050 1 762 159 171 LEU H H 7.369 0.005 1 763 159 171 LEU C C 172.656 0.050 1 764 159 171 LEU CA C 52.513 0.050 1 765 159 171 LEU CB C 39.898 0.050 1 766 159 171 LEU N N 118.101 0.050 1 767 160 172 LEU H H 8.000 0.005 1 768 160 172 LEU C C 172.766 0.050 1 769 160 172 LEU CA C 49.629 0.050 1 770 160 172 LEU CB C 38.861 0.050 1 771 160 172 LEU N N 117.173 0.050 1 772 161 173 ARG H H 8.819 0.005 1 773 161 173 ARG C C 173.357 0.050 1 774 161 173 ARG CA C 49.511 0.050 1 775 161 173 ARG CB C 29.496 0.050 1 776 161 173 ARG N N 118.502 0.050 1 777 162 174 LYS H H 8.693 0.005 1 778 162 174 LYS C C 174.858 0.050 1 779 162 174 LYS CA C 55.937 0.050 1 780 162 174 LYS CB C 27.636 0.050 1 781 162 174 LYS N N 122.866 0.050 1 782 163 175 GLY H H 9.490 0.005 1 783 163 175 GLY C C 172.321 0.050 1 784 163 175 GLY CA C 41.866 0.050 1 785 163 175 GLY N N 118.278 0.050 1 786 164 176 THR H H 8.815 0.005 1 787 164 176 THR C C 170.194 0.050 1 788 164 176 THR CA C 63.657 0.050 1 789 164 176 THR CB C 66.008 0.050 1 790 164 176 THR N N 121.745 0.050 1 791 165 177 VAL H H 7.800 0.005 1 792 165 177 VAL C C 171.714 0.050 1 793 165 177 VAL CA C 58.906 0.050 1 794 165 177 VAL CB C 30.405 0.050 1 795 165 177 VAL N N 127.709 0.050 1 796 166 178 LEU H H 9.239 0.005 1 797 166 178 LEU C C 172.042 0.050 1 798 166 178 LEU CA C 51.472 0.050 1 799 166 178 LEU CB C 38.375 0.050 1 800 166 178 LEU N N 128.759 0.050 1 801 167 179 LEU H H 9.231 0.005 1 802 167 179 LEU C C 170.463 0.050 1 803 167 179 LEU CA C 50.017 0.050 1 804 167 179 LEU CB C 42.069 0.050 1 805 167 179 LEU N N 125.361 0.050 1 806 168 180 ALA H H 9.118 0.005 1 807 168 180 ALA C C 173.404 0.050 1 808 168 180 ALA CA C 46.679 0.050 1 809 168 180 ALA CB C 19.482 0.050 1 810 168 180 ALA N N 130.382 0.050 1 811 169 181 ASP H H 7.904 0.005 1 812 169 181 ASP C C 176.827 0.050 1 813 169 181 ASP CA C 50.562 0.050 1 814 169 181 ASP CB C 38.550 0.050 1 815 169 181 ASP N N 119.282 0.050 1 816 170 182 ASN H H 7.770 0.005 1 817 170 182 ASN C C 172.923 0.050 1 818 170 182 ASN CA C 51.386 0.050 1 819 170 182 ASN CB C 34.498 0.050 1 820 170 182 ASN N N 116.276 0.050 1 821 171 183 VAL H H 7.799 0.005 1 822 171 183 VAL C C 172.478 0.050 1 823 171 183 VAL CA C 60.974 0.050 1 824 171 183 VAL CB C 26.296 0.050 1 825 171 183 VAL N N 106.462 0.050 1 826 172 184 ILE H H 7.268 0.005 1 827 172 184 ILE C C 171.910 0.050 1 828 172 184 ILE CA C 58.351 0.050 1 829 172 184 ILE CB C 34.157 0.050 1 830 172 184 ILE N N 119.900 0.050 1 831 173 185 CYS H H 9.367 0.005 1 832 173 185 CYS C C 170.688 0.050 1 833 173 185 CYS CA C 51.992 0.050 1 834 173 185 CYS CB C 25.658 0.050 1 835 173 185 CYS N N 124.431 0.050 1 836 174 186 PRO C C 173.722 0.050 1 837 174 186 PRO CA C 61.028 0.050 1 838 174 186 PRO CB C 31.322 0.050 1 839 175 187 GLY H H 6.838 0.005 1 840 175 187 GLY C C 169.531 0.050 1 841 175 187 GLY CA C 41.034 0.050 1 842 175 187 GLY N N 107.386 0.050 1 843 176 188 ALA H H 7.380 0.005 1 844 176 188 ALA C C 171.516 0.050 1 845 176 188 ALA CA C 47.030 0.050 1 846 176 188 ALA CB C 16.434 0.050 1 847 176 188 ALA N N 119.018 0.050 1 848 177 189 PRO C C 176.634 0.050 1 849 177 189 PRO CA C 62.759 0.050 1 850 177 189 PRO CB C 28.164 0.050 1 851 178 190 ASP H H 8.333 0.005 1 852 178 190 ASP C C 176.302 0.050 1 853 178 190 ASP CA C 53.187 0.050 1 854 178 190 ASP CB C 35.258 0.050 1 855 178 190 ASP N N 118.781 0.050 1 856 179 191 PHE H H 7.834 0.005 1 857 179 191 PHE C C 173.034 0.050 1 858 179 191 PHE CA C 58.363 0.050 1 859 179 191 PHE CB C 36.042 0.050 1 860 179 191 PHE N N 123.693 0.050 1 861 180 192 LEU H H 8.210 0.005 1 862 180 192 LEU C C 175.180 0.050 1 863 180 192 LEU CA C 54.506 0.050 1 864 180 192 LEU CB C 39.035 0.050 1 865 180 192 LEU N N 118.861 0.050 1 866 181 193 ALA H H 7.787 0.005 1 867 181 193 ALA C C 178.022 0.050 1 868 181 193 ALA CA C 51.367 0.050 1 869 181 193 ALA CB C 14.383 0.050 1 870 181 193 ALA N N 118.307 0.050 1 871 182 194 HIS H H 7.305 0.005 1 872 182 194 HIS C C 175.022 0.050 1 873 182 194 HIS CA C 56.498 0.050 1 874 182 194 HIS CB C 28.917 0.050 1 875 182 194 HIS N N 116.857 0.050 1 876 183 195 VAL H H 7.693 0.005 1 877 183 195 VAL C C 175.036 0.050 1 878 183 195 VAL CA C 61.297 0.050 1 879 183 195 VAL CB C 26.770 0.050 1 880 183 195 VAL N N 110.468 0.050 1 881 184 196 ARG H H 7.975 0.005 1 882 184 196 ARG C C 175.755 0.050 1 883 184 196 ARG CA C 55.800 0.050 1 884 184 196 ARG CB C 26.566 0.050 1 885 184 196 ARG N N 117.502 0.050 1 886 185 197 GLY H H 7.113 0.005 1 887 185 197 GLY C C 171.278 0.050 1 888 185 197 GLY CA C 41.904 0.050 1 889 185 197 GLY N N 104.920 0.050 1 890 186 198 SER H H 7.032 0.005 1 891 186 198 SER C C 173.062 0.050 1 892 186 198 SER CA C 54.105 0.050 1 893 186 198 SER CB C 61.124 0.050 1 894 186 198 SER N N 114.739 0.050 1 895 187 199 SER C C 171.950 0.050 1 896 187 199 SER CA C 57.068 0.050 1 897 188 200 CYS H H 8.129 0.005 1 898 188 200 CYS C C 169.944 0.050 1 899 188 200 CYS CA C 56.106 0.050 1 900 188 200 CYS CB C 24.705 0.050 1 901 188 200 CYS N N 117.102 0.050 1 902 189 201 PHE H H 7.565 0.005 1 903 189 201 PHE C C 172.031 0.050 1 904 189 201 PHE CA C 53.488 0.050 1 905 189 201 PHE CB C 39.919 0.050 1 906 189 201 PHE N N 116.380 0.050 1 907 190 202 GLU H H 8.904 0.005 1 908 190 202 GLU C C 174.928 0.050 1 909 190 202 GLU CA C 52.188 0.050 1 910 190 202 GLU CB C 28.677 0.050 1 911 190 202 GLU N N 122.462 0.050 1 912 191 203 CYS H H 9.163 0.005 1 913 191 203 CYS C C 172.214 0.050 1 914 191 203 CYS CA C 56.659 0.050 1 915 191 203 CYS CB C 26.845 0.050 1 916 191 203 CYS N N 128.120 0.050 1 917 192 204 THR H H 9.314 0.005 1 918 192 204 THR C C 168.019 0.050 1 919 192 204 THR CA C 59.479 0.050 1 920 192 204 THR CB C 69.157 0.050 1 921 192 204 THR N N 120.080 0.050 1 922 193 205 HIS H H 8.452 0.005 1 923 193 205 HIS C C 171.432 0.050 1 924 193 205 HIS CA C 52.321 0.050 1 925 193 205 HIS CB C 27.651 0.050 1 926 193 205 HIS N N 126.186 0.050 1 927 194 206 TYR H H 8.231 0.005 1 928 194 206 TYR C C 170.914 0.050 1 929 194 206 TYR CA C 52.858 0.050 1 930 194 206 TYR CB C 36.690 0.050 1 931 194 206 TYR N N 126.264 0.050 1 932 195 207 GLN H H 8.445 0.005 1 933 195 207 GLN C C 172.892 0.050 1 934 195 207 GLN CA C 53.769 0.050 1 935 195 207 GLN CB C 26.276 0.050 1 936 195 207 GLN N N 124.269 0.050 1 937 196 208 SER H H 8.637 0.005 1 938 196 208 SER C C 171.084 0.050 1 939 196 208 SER CA C 53.201 0.050 1 940 196 208 SER CB C 59.554 0.050 1 941 196 208 SER N N 122.811 0.050 1 942 197 209 PHE H H 8.515 0.005 1 943 197 209 PHE C C 172.544 0.050 1 944 197 209 PHE CA C 53.464 0.050 1 945 197 209 PHE CB C 39.965 0.050 1 946 197 209 PHE N N 121.996 0.050 1 947 198 210 LEU H H 8.989 0.005 1 948 198 210 LEU C C 172.650 0.050 1 949 198 210 LEU CA C 52.725 0.050 1 950 198 210 LEU CB C 40.379 0.050 1 951 198 210 LEU N N 124.944 0.050 1 952 199 211 GLU H H 9.110 0.005 1 953 199 211 GLU C C 173.837 0.050 1 954 199 211 GLU CA C 52.191 0.050 1 955 199 211 GLU CB C 23.398 0.050 1 956 199 211 GLU N N 125.448 0.050 1 957 200 212 TYR H H 8.075 0.005 1 958 200 212 TYR C C 173.240 0.050 1 959 200 212 TYR CA C 54.309 0.050 1 960 200 212 TYR CB C 33.224 0.050 1 961 200 212 TYR N N 115.617 0.050 1 962 201 213 ARG H H 8.332 0.005 1 963 201 213 ARG C C 172.382 0.050 1 964 201 213 ARG CA C 50.725 0.050 1 965 201 213 ARG CB C 31.777 0.050 1 966 201 213 ARG N N 120.597 0.050 1 967 202 214 GLU H H 8.631 0.005 1 968 202 214 GLU C C 173.306 0.050 1 969 202 214 GLU CA C 52.163 0.050 1 970 202 214 GLU CB C 25.625 0.050 1 971 202 214 GLU N N 118.625 0.050 1 972 203 215 VAL H H 6.685 0.005 1 973 203 215 VAL C C 172.473 0.050 1 974 203 215 VAL CA C 57.675 0.050 1 975 203 215 VAL CB C 30.951 0.050 1 976 203 215 VAL N N 119.114 0.050 1 977 204 216 VAL H H 8.437 0.005 1 978 204 216 VAL C C 172.259 0.050 1 979 204 216 VAL CA C 61.502 0.050 1 980 204 216 VAL CB C 28.488 0.050 1 981 204 216 VAL N N 127.295 0.050 1 982 205 217 ASP H H 7.381 0.005 1 983 205 217 ASP C C 172.257 0.050 1 984 205 217 ASP CA C 49.510 0.050 1 985 205 217 ASP CB C 43.556 0.050 1 986 205 217 ASP N N 119.616 0.050 1 987 206 218 GLY H H 9.295 0.005 1 988 206 218 GLY C C 167.856 0.050 1 989 206 218 GLY CA C 43.605 0.050 1 990 206 218 GLY N N 108.860 0.050 1 991 207 219 LEU H H 8.354 0.005 1 992 207 219 LEU C C 172.017 0.050 1 993 207 219 LEU CA C 51.462 0.050 1 994 207 219 LEU CB C 42.347 0.050 1 995 207 219 LEU N N 117.361 0.050 1 996 208 220 GLU H H 8.115 0.005 1 997 208 220 GLU C C 172.534 0.050 1 998 208 220 GLU CA C 51.617 0.050 1 999 208 220 GLU CB C 31.160 0.050 1 1000 208 220 GLU N N 121.607 0.050 1 1001 209 221 LYS H H 9.501 0.005 1 1002 209 221 LYS C C 171.059 0.050 1 1003 209 221 LYS CA C 51.610 0.050 1 1004 209 221 LYS CB C 31.887 0.050 1 1005 209 221 LYS N N 130.037 0.050 1 1006 210 222 ALA H H 9.849 0.005 1 1007 210 222 ALA C C 172.752 0.050 1 1008 210 222 ALA CA C 47.064 0.050 1 1009 210 222 ALA CB C 17.771 0.050 1 1010 210 222 ALA N N 132.501 0.050 1 1011 211 223 ILE H H 9.130 0.005 1 1012 211 223 ILE C C 173.937 0.050 1 1013 211 223 ILE CA C 57.314 0.050 1 1014 211 223 ILE CB C 35.069 0.050 1 1015 211 223 ILE N N 124.818 0.050 1 1016 212 224 TYR H H 9.086 0.005 1 1017 212 224 TYR C C 173.228 0.050 1 1018 212 224 TYR CA C 54.953 0.050 1 1019 212 224 TYR CB C 34.771 0.050 1 1020 212 224 TYR N N 129.447 0.050 1 1021 213 225 LYS H H 8.453 0.005 1 1022 213 225 LYS C C 173.660 0.050 1 1023 213 225 LYS CA C 52.735 0.050 1 1024 213 225 LYS CB C 28.909 0.050 1 1025 213 225 LYS N N 126.873 0.050 1 1026 215 227 PRO C C 175.203 0.050 1 1027 215 227 PRO CA C 60.139 0.050 1 1028 215 227 PRO CB C 28.531 0.050 1 1029 216 228 GLY H H 8.315 0.005 1 1030 216 228 GLY C C 171.572 0.050 1 1031 216 228 GLY CA C 42.147 0.050 1 1032 216 228 GLY N N 109.765 0.050 1 1033 217 229 SER H H 8.000 0.005 1 1034 217 229 SER C C 171.988 0.050 1 1035 217 229 SER CA C 55.154 0.050 1 1036 217 229 SER CB C 60.487 0.050 1 1037 217 229 SER N N 115.588 0.050 1 1038 218 230 GLU H H 8.398 0.005 1 1039 218 230 GLU C C 173.480 0.050 1 1040 218 230 GLU CA C 53.498 0.050 1 1041 218 230 GLU CB C 26.506 0.050 1 1042 218 230 GLU N N 123.041 0.050 1 1043 219 231 ALA H H 8.107 0.005 1 1044 219 231 ALA C C 175.068 0.050 1 1045 219 231 ALA CA C 49.318 0.050 1 1046 219 231 ALA CB C 15.902 0.050 1 1047 219 231 ALA N N 125.103 0.050 1 1048 220 232 GLY H H 7.966 0.005 1 1049 220 232 GLY C C 168.175 0.050 1 1050 220 232 GLY CA C 41.266 0.050 1 1051 220 232 GLY N N 109.143 0.050 1 stop_ save_