data_18775 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H-13C-15N NMR assignments of yeast OMP synthase in complex with orotidine 5 -monophosphate ; _BMRB_accession_number 18775 _BMRB_flat_file_name bmr18775.str _Entry_type original _Submission_date 2012-10-10 _Accession_date 2012-10-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harris Richard . . 2 Hansen Michael R. . 3 Barr Eric W. . 4 Cheng Hong . . 5 Grubmeyer Charles T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 213 "13C chemical shifts" 657 "15N chemical shifts" 213 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18774 'yeast OMP synthase (apo form)' stop_ _Original_release_date 2013-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone (1)H, (13)C, (15)N NMR assignments of yeast OMP synthase in unliganded form and in complex with orotidine 5'-monophosphate.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23315339 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hansen 'Michael Riis' . . 2 Harris Richard . . 3 Barr Eric W. . 4 Cheng Hong . . 5 Girvin Mark E. . 6 Grubmeyer Charles . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword 'OMP synthase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'omp synthase' _Enzyme_commission_number 2.4.2.10 loop_ _Mol_system_component_name _Mol_label 'omp synthase, 1' $oprtase 'omp synthase, 2' $oprtase 'OMP, 1' $entity_OMP 'OMP, 2' $entity_OMP stop_ _System_molecular_weight 50656 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details homodimer save_ ######################## # Monomeric polymers # ######################## save_oprtase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common oprtase _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'orotate phosphoribosyltransferase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; PIMLEDYQKNFLELAIECQA LRFGSFKLKSGRESPYFFNL GLFNTGKLLSNLATAYAIAI IQSDLKFDVIFGPAYKGIPL AAIVCVKLAEIGGSKFQNIQ YAFNRKEAKDHGEGGIIVGS ALENKRILIIDDVMTAGTAI NEAFEIISNAKGQVVGSIIA LDRQEVVSTDDKEGLSATQT VSKKYGIPVLSIVSLIHIIT YLEGRITAEEKSKIEQYLQT YGASAENLYFQ ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ILE 3 MET 4 LEU 5 GLU 6 ASP 7 TYR 8 GLN 9 LYS 10 ASN 11 PHE 12 LEU 13 GLU 14 LEU 15 ALA 16 ILE 17 GLU 18 CYS 19 GLN 20 ALA 21 LEU 22 ARG 23 PHE 24 GLY 25 SER 26 PHE 27 LYS 28 LEU 29 LYS 30 SER 31 GLY 32 ARG 33 GLU 34 SER 35 PRO 36 TYR 37 PHE 38 PHE 39 ASN 40 LEU 41 GLY 42 LEU 43 PHE 44 ASN 45 THR 46 GLY 47 LYS 48 LEU 49 LEU 50 SER 51 ASN 52 LEU 53 ALA 54 THR 55 ALA 56 TYR 57 ALA 58 ILE 59 ALA 60 ILE 61 ILE 62 GLN 63 SER 64 ASP 65 LEU 66 LYS 67 PHE 68 ASP 69 VAL 70 ILE 71 PHE 72 GLY 73 PRO 74 ALA 75 TYR 76 LYS 77 GLY 78 ILE 79 PRO 80 LEU 81 ALA 82 ALA 83 ILE 84 VAL 85 CYS 86 VAL 87 LYS 88 LEU 89 ALA 90 GLU 91 ILE 92 GLY 93 GLY 94 SER 95 LYS 96 PHE 97 GLN 98 ASN 99 ILE 100 GLN 101 TYR 102 ALA 103 PHE 104 ASN 105 ARG 106 LYS 107 GLU 108 ALA 109 LYS 110 ASP 111 HIS 112 GLY 113 GLU 114 GLY 115 GLY 116 ILE 117 ILE 118 VAL 119 GLY 120 SER 121 ALA 122 LEU 123 GLU 124 ASN 125 LYS 126 ARG 127 ILE 128 LEU 129 ILE 130 ILE 131 ASP 132 ASP 133 VAL 134 MET 135 THR 136 ALA 137 GLY 138 THR 139 ALA 140 ILE 141 ASN 142 GLU 143 ALA 144 PHE 145 GLU 146 ILE 147 ILE 148 SER 149 ASN 150 ALA 151 LYS 152 GLY 153 GLN 154 VAL 155 VAL 156 GLY 157 SER 158 ILE 159 ILE 160 ALA 161 LEU 162 ASP 163 ARG 164 GLN 165 GLU 166 VAL 167 VAL 168 SER 169 THR 170 ASP 171 ASP 172 LYS 173 GLU 174 GLY 175 LEU 176 SER 177 ALA 178 THR 179 GLN 180 THR 181 VAL 182 SER 183 LYS 184 LYS 185 TYR 186 GLY 187 ILE 188 PRO 189 VAL 190 LEU 191 SER 192 ILE 193 VAL 194 SER 195 LEU 196 ILE 197 HIS 198 ILE 199 ILE 200 THR 201 TYR 202 LEU 203 GLU 204 GLY 205 ARG 206 ILE 207 THR 208 ALA 209 GLU 210 GLU 211 LYS 212 SER 213 LYS 214 ILE 215 GLU 216 GLN 217 TYR 218 LEU 219 GLN 220 THR 221 TYR 222 GLY 223 ALA 224 SER 225 ALA 226 GLU 227 ASN 228 LEU 229 TYR 230 PHE 231 GLN 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 18774 oprtase 100.00 231 100.00 100.00 1.11e-163 PDB 2PRY "Apo Form Of S. Cerevisiae Orotate Phosphoribosyltransferase" 97.40 226 100.00 100.00 8.29e-159 PDB 2PRZ "S. Cerevisiae Orotate Phosphoribosyltransferase Complexed With Omp" 97.40 226 100.00 100.00 8.29e-159 PDB 2PS1 "S. Cerevisiae Orotate Phosphoribosyltransferase Complexed With Orotic Acid And Prpp" 97.40 226 100.00 100.00 8.29e-159 DBJ GAA25343 "K7_Ura5p [Saccharomyces cerevisiae Kyokai no. 7]" 97.40 226 100.00 100.00 8.29e-159 EMBL CAA32901 "unnamed protein product [Saccharomyces cerevisiae]" 97.40 226 99.56 100.00 5.87e-158 EMBL CAA46665 "URA5 [Saccharomyces cerevisiae]" 92.64 214 100.00 100.00 4.32e-149 EMBL CAA89112 "Ura5p [Saccharomyces cerevisiae]" 97.40 226 100.00 100.00 8.29e-159 EMBL CAY81712 "Ura5p [Saccharomyces cerevisiae EC1118]" 97.40 226 100.00 100.00 8.29e-159 GB AAT93179 "YML106W [Saccharomyces cerevisiae]" 97.40 226 100.00 100.00 8.29e-159 GB AHY76362 "Ura5p [Saccharomyces cerevisiae YJM993]" 97.40 226 100.00 100.00 8.29e-159 GB AJP40607 "Ura5p [Saccharomyces cerevisiae YJM1078]" 97.40 226 100.00 100.00 8.29e-159 GB AJS61787 "Ura5p [Saccharomyces cerevisiae YJM189]" 97.40 226 100.00 100.00 8.29e-159 GB AJS62213 "Ura5p [Saccharomyces cerevisiae YJM193]" 97.40 226 100.00 100.00 8.29e-159 REF NP_013601 "orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" 97.40 226 100.00 100.00 8.29e-159 SP P13298 "RecName: Full=Orotate phosphoribosyltransferase 1; Short=OPRT 1; Short=OPRTase 1" 97.40 226 100.00 100.00 8.29e-159 TPG DAA09792 "TPA: orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" 97.40 226 100.00 100.00 8.29e-159 stop_ save_ ############# # Ligands # ############# save_OMP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_OMP (OROTIDINE-5'-MONOPHOSPHATE)" _BMRB_code OMP _PDB_code OMP _Molecular_mass 368.191 _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 P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? O71 O71 O . 0 . ? O72 O72 O . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? HO2' HO2' H . 0 . ? HO3' HO3' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HN3 HN3 H . 0 . ? H5 H5 H . 0 . ? HO7 HO7 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING P O5' ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' C2' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' C1' ? ? SING C2' O2' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N1 ? ? SING C1' H1' ? ? SING N1 C2 ? ? SING N1 C6 ? ? SING C2 N3 ? ? DOUB C2 O2 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? SING C4 C5 ? ? DOUB C4 O4 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 C7 ? ? DOUB C7 O71 ? ? SING C7 O72 ? ? SING O72 HO7 ? ? 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 $oprtase '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 $oprtase 'recombinant technology' . Escherichia coli . 'pRSET B' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $oprtase 0.9 mM '[U-13C; U-15N; U-2H]' PIPES 80 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' $entity_OMP 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2D loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_MDDNMR _Saveframe_category software _Name MDDNMR _Version 2.1 loop_ _Vendor _Address _Electronic_address '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . stop_ loop_ _Task collection processing stop_ _Details 'Collection and processing of non-uniform sampled NMR data' save_ save_CCPN _Saveframe_category software _Name CCPN _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_HN(CA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _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' 0 . M pH 6.8 . 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 . loop_ _Experiment_label '2D 1H-15N TROSY' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D HN(CA)CB' '3D HN(COCA)CB' 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 'omp synthase, 1' _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 2 2 ILE C C 174.758 0.006 1 2 2 2 ILE CA C 60.299 0.016 1 3 2 2 ILE CB C 37.813 0.006 1 4 3 3 MET H H 8.419 0.002 1 5 3 3 MET C C 175.339 0.015 1 6 3 3 MET CA C 54.241 0.015 1 7 3 3 MET CB C 33.009 0.005 1 8 3 3 MET N N 125.859 0.022 1 9 4 4 LEU H H 8.479 0.002 1 10 4 4 LEU C C 177.289 0.014 1 11 4 4 LEU CA C 54.829 0.019 1 12 4 4 LEU CB C 43.127 0.016 1 13 4 4 LEU N N 125.038 0.029 1 14 5 5 GLU H H 8.663 0.011 1 15 5 5 GLU C C 178.690 0.017 1 16 5 5 GLU CA C 54.830 0.035 1 17 5 5 GLU CB C 31.184 0.014 1 18 5 5 GLU N N 121.484 0.068 1 19 6 6 ASP H H 9.446 0.003 1 20 6 6 ASP C C 179.627 0.020 1 21 6 6 ASP CA C 58.571 0.010 1 22 6 6 ASP CB C 38.960 0.050 1 23 6 6 ASP N N 125.792 0.020 1 24 7 7 TYR H H 8.815 0.003 1 25 7 7 TYR C C 178.079 0.028 1 26 7 7 TYR CA C 59.801 0.038 1 27 7 7 TYR CB C 36.132 0.012 1 28 7 7 TYR N N 116.305 0.070 1 29 8 8 GLN H H 6.380 0.002 1 30 8 8 GLN C C 177.152 0.041 1 31 8 8 GLN CA C 58.064 0.022 1 32 8 8 GLN CB C 29.021 0.011 1 33 8 8 GLN N N 121.818 0.043 1 34 9 9 LYS H H 7.515 0.006 1 35 9 9 LYS C C 177.840 0.013 1 36 9 9 LYS CA C 59.816 0.060 1 37 9 9 LYS CB C 31.744 0.069 1 38 9 9 LYS N N 119.800 0.035 1 39 10 10 ASN H H 8.218 0.005 1 40 10 10 ASN C C 176.977 0.009 1 41 10 10 ASN CA C 55.901 0.046 1 42 10 10 ASN CB C 38.406 0.056 1 43 10 10 ASN N N 115.710 0.029 1 44 11 11 PHE H H 7.404 0.003 1 45 11 11 PHE C C 176.633 0.009 1 46 11 11 PHE CA C 61.080 0.046 1 47 11 11 PHE CB C 38.815 0.020 1 48 11 11 PHE N N 119.395 0.028 1 49 12 12 LEU H H 7.809 0.005 1 50 12 12 LEU C C 178.511 0.050 1 51 12 12 LEU CA C 57.176 0.020 1 52 12 12 LEU CB C 40.835 0.018 1 53 12 12 LEU N N 118.190 0.040 1 54 13 13 GLU H H 8.328 0.002 1 55 13 13 GLU C C 180.858 0.009 1 56 13 13 GLU CA C 59.031 0.044 1 57 13 13 GLU CB C 28.369 0.043 1 58 13 13 GLU N N 119.179 0.013 1 59 14 14 LEU H H 7.986 0.003 1 60 14 14 LEU C C 178.764 0.050 1 61 14 14 LEU CA C 57.068 0.025 1 62 14 14 LEU CB C 40.772 0.042 1 63 14 14 LEU N N 120.323 0.025 1 64 15 15 ALA H H 8.396 0.002 1 65 15 15 ALA C C 179.796 0.005 1 66 15 15 ALA CA C 54.221 0.034 1 67 15 15 ALA CB C 17.515 0.015 1 68 15 15 ALA N N 121.734 0.042 1 69 16 16 ILE H H 7.917 0.003 1 70 16 16 ILE C C 179.823 0.022 1 71 16 16 ILE CA C 62.965 0.039 1 72 16 16 ILE CB C 36.969 0.015 1 73 16 16 ILE N N 118.768 0.062 1 74 17 17 GLU H H 8.055 0.005 1 75 17 17 GLU C C 178.199 0.006 1 76 17 17 GLU CA C 59.590 0.032 1 77 17 17 GLU CB C 29.515 0.048 1 78 17 17 GLU N N 124.140 0.037 1 79 18 18 CYS H H 8.225 0.004 1 80 18 18 CYS C C 173.736 0.019 1 81 18 18 CYS CA C 57.022 0.025 1 82 18 18 CYS CB C 28.619 0.076 1 83 18 18 CYS N N 113.189 0.050 1 84 19 19 GLN H H 7.367 0.005 1 85 19 19 GLN C C 174.046 0.005 1 86 19 19 GLN CA C 57.336 0.002 1 87 19 19 GLN CB C 25.177 0.035 1 88 19 19 GLN N N 113.747 0.034 1 89 20 20 ALA H H 8.074 0.005 1 90 20 20 ALA C C 178.145 0.023 1 91 20 20 ALA CA C 54.522 0.030 1 92 20 20 ALA CB C 20.014 0.061 1 93 20 20 ALA N N 121.366 0.026 1 94 21 21 LEU H H 6.891 0.007 1 95 21 21 LEU C C 173.514 0.003 1 96 21 21 LEU CA C 52.861 0.021 1 97 21 21 LEU CB C 42.288 0.060 1 98 21 21 LEU N N 117.941 0.040 1 99 22 22 ARG H H 8.014 0.007 1 100 22 22 ARG C C 173.871 0.021 1 101 22 22 ARG CA C 53.816 0.020 1 102 22 22 ARG CB C 34.448 0.033 1 103 22 22 ARG N N 124.440 0.032 1 104 23 23 PHE H H 8.850 0.003 1 105 23 23 PHE C C 176.090 0.023 1 106 23 23 PHE CA C 56.899 0.013 1 107 23 23 PHE CB C 40.862 0.013 1 108 23 23 PHE N N 120.438 0.043 1 109 24 24 GLY H H 8.383 0.005 1 110 24 24 GLY C C 171.263 0.005 1 111 24 24 GLY CA C 46.127 0.037 1 112 24 24 GLY N N 112.167 0.056 1 113 25 25 SER H H 7.477 0.003 1 114 25 25 SER C C 173.036 0.017 1 115 25 25 SER CA C 57.408 0.024 1 116 25 25 SER CB C 63.365 0.065 1 117 25 25 SER N N 120.396 0.030 1 118 26 26 PHE H H 8.854 0.003 1 119 26 26 PHE C C 174.020 0.020 1 120 26 26 PHE CA C 56.073 0.014 1 121 26 26 PHE CB C 41.883 0.030 1 122 26 26 PHE N N 125.709 0.035 1 123 27 27 LYS H H 8.617 0.005 1 124 27 27 LYS C C 176.557 0.015 1 125 27 27 LYS CA C 55.156 0.027 1 126 27 27 LYS CB C 31.503 0.027 1 127 27 27 LYS N N 126.061 0.024 1 128 28 28 LEU H H 8.940 0.003 1 129 28 28 LEU C C 178.981 0.017 1 130 28 28 LEU CA C 53.831 0.022 1 131 28 28 LEU CB C 39.793 0.031 1 132 28 28 LEU N N 125.624 0.044 1 133 29 29 LYS H H 10.174 0.005 1 134 29 29 LYS C C 179.482 0.050 1 135 29 29 LYS CA C 60.580 0.007 1 136 29 29 LYS CB C 30.771 0.006 1 137 29 29 LYS N N 129.032 0.049 1 138 30 30 SER C C 176.467 0.010 1 139 30 30 SER CA C 58.873 0.021 1 140 30 30 SER CB C 64.226 0.050 1 141 31 31 GLY H H 8.356 0.005 1 142 31 31 GLY C C 173.691 0.004 1 143 31 31 GLY CA C 44.713 0.036 1 144 31 31 GLY N N 112.268 0.058 1 145 32 32 ARG H H 6.522 0.003 1 146 32 32 ARG C C 174.932 0.010 1 147 32 32 ARG CA C 56.292 0.032 1 148 32 32 ARG CB C 30.773 0.017 1 149 32 32 ARG N N 119.424 0.026 1 150 33 33 GLU H H 8.735 0.002 1 151 33 33 GLU C C 175.562 0.014 1 152 33 33 GLU CA C 55.346 0.022 1 153 33 33 GLU CB C 28.361 0.066 1 154 33 33 GLU N N 124.069 0.034 1 155 34 34 SER H H 8.968 0.005 1 156 34 34 SER C C 174.513 0.003 1 157 34 34 SER CA C 53.139 0.018 1 158 34 34 SER CB C 65.167 0.012 1 159 34 34 SER N N 120.709 0.029 1 160 36 36 TYR C C 173.830 0.023 1 161 36 36 TYR CA C 56.066 0.022 1 162 36 36 TYR CB C 41.812 0.050 1 163 37 37 PHE H H 8.700 0.005 1 164 37 37 PHE C C 171.341 0.020 1 165 37 37 PHE CA C 57.369 0.033 1 166 37 37 PHE CB C 41.351 0.058 1 167 37 37 PHE N N 126.331 0.034 1 168 38 38 PHE H H 7.505 0.009 1 169 38 38 PHE C C 173.462 0.010 1 170 38 38 PHE CA C 55.072 0.016 1 171 38 38 PHE CB C 42.713 0.060 1 172 38 38 PHE N N 128.756 0.034 1 173 39 39 ASN H H 9.493 0.003 1 174 39 39 ASN C C 174.533 0.023 1 175 39 39 ASN CA C 50.172 0.034 1 176 39 39 ASN CB C 38.305 0.017 1 177 39 39 ASN N N 129.430 0.033 1 178 40 40 LEU H H 9.774 0.004 1 179 40 40 LEU C C 178.952 0.010 1 180 40 40 LEU CA C 56.023 0.013 1 181 40 40 LEU CB C 42.074 0.152 1 182 40 40 LEU N N 126.869 0.034 1 183 41 41 GLY H H 8.447 0.005 1 184 41 41 GLY C C 174.854 0.010 1 185 41 41 GLY CA C 45.846 0.033 1 186 41 41 GLY N N 106.891 0.039 1 187 42 42 LEU H H 7.100 0.002 1 188 42 42 LEU C C 178.338 0.003 1 189 42 42 LEU CA C 54.989 0.014 1 190 42 42 LEU CB C 39.026 0.052 1 191 42 42 LEU N N 119.415 0.034 1 192 43 43 PHE H H 7.838 0.003 1 193 43 43 PHE C C 175.987 0.015 1 194 43 43 PHE CA C 56.984 0.042 1 195 43 43 PHE CB C 36.036 0.023 1 196 43 43 PHE N N 121.545 0.048 1 197 44 44 ASN H H 7.582 0.003 1 198 44 44 ASN C C 175.063 0.032 1 199 44 44 ASN CA C 52.648 0.001 1 200 44 44 ASN CB C 38.089 0.002 1 201 44 44 ASN N N 118.319 0.057 1 202 45 45 THR H H 7.009 0.004 1 203 45 45 THR C C 176.696 0.055 1 204 45 45 THR CA C 57.748 0.024 1 205 45 45 THR CB C 72.670 0.102 1 206 45 45 THR N N 106.974 0.048 1 207 46 46 GLY H H 8.555 0.006 1 208 46 46 GLY C C 175.580 0.018 1 209 46 46 GLY CA C 49.631 0.002 1 210 46 46 GLY N N 108.599 0.060 1 211 47 47 LYS H H 8.232 0.006 1 212 47 47 LYS C C 179.863 0.042 1 213 47 47 LYS CA C 59.393 0.004 1 214 47 47 LYS CB C 32.438 0.050 1 215 47 47 LYS N N 120.667 0.063 1 216 48 48 LEU H H 7.923 0.004 1 217 48 48 LEU C C 179.487 0.021 1 218 48 48 LEU CA C 58.399 0.019 1 219 48 48 LEU CB C 41.092 0.050 1 220 48 48 LEU N N 121.761 0.021 1 221 49 49 LEU H H 9.480 0.002 1 222 49 49 LEU C C 178.844 0.050 1 223 49 49 LEU CA C 57.513 0.088 1 224 49 49 LEU CB C 43.545 0.034 1 225 49 49 LEU N N 121.358 0.016 1 226 50 50 SER H H 8.295 0.004 1 227 50 50 SER C C 178.308 0.050 1 228 50 50 SER CA C 61.536 0.050 1 229 50 50 SER CB C 62.731 0.050 1 230 50 50 SER N N 113.978 0.043 1 231 51 51 ASN H H 7.770 0.003 1 232 51 51 ASN C C 177.812 0.031 1 233 51 51 ASN CA C 57.245 0.050 1 234 51 51 ASN CB C 40.572 0.045 1 235 51 51 ASN N N 118.623 0.045 1 236 52 52 LEU H H 8.855 0.004 1 237 52 52 LEU C C 177.329 0.006 1 238 52 52 LEU CA C 57.914 0.049 1 239 52 52 LEU CB C 42.047 0.002 1 240 52 52 LEU N N 124.219 0.034 1 241 53 53 ALA H H 8.814 0.002 1 242 53 53 ALA C C 179.522 0.029 1 243 53 53 ALA CA C 54.683 0.043 1 244 53 53 ALA CB C 17.880 0.004 1 245 53 53 ALA N N 120.151 0.019 1 246 54 54 THR H H 7.767 0.004 1 247 54 54 THR C C 174.065 0.050 1 248 54 54 THR CA C 67.300 0.030 1 249 54 54 THR CB C 68.403 0.050 1 250 54 54 THR N N 114.455 0.042 1 251 55 55 ALA H H 7.836 0.003 1 252 55 55 ALA C C 178.882 0.015 1 253 55 55 ALA CA C 55.580 0.007 1 254 55 55 ALA CB C 17.172 0.023 1 255 55 55 ALA N N 124.265 0.027 1 256 56 56 TYR H H 7.724 0.003 1 257 56 56 TYR C C 178.280 0.015 1 258 56 56 TYR CA C 62.108 0.008 1 259 56 56 TYR CB C 40.850 0.050 1 260 56 56 TYR N N 113.731 0.036 1 261 57 57 ALA H H 8.138 0.002 1 262 57 57 ALA C C 178.781 0.014 1 263 57 57 ALA CA C 55.289 0.011 1 264 57 57 ALA CB C 17.635 0.016 1 265 57 57 ALA N N 118.777 0.044 1 266 58 58 ILE H H 8.572 0.001 1 267 58 58 ILE C C 177.948 0.025 1 268 58 58 ILE CA C 65.120 0.002 1 269 58 58 ILE CB C 36.992 0.050 1 270 58 58 ILE N N 118.919 0.027 1 271 59 59 ALA H H 7.025 0.002 1 272 59 59 ALA C C 181.185 0.006 1 273 59 59 ALA CA C 54.820 0.016 1 274 59 59 ALA CB C 17.433 0.050 1 275 59 59 ALA N N 121.379 0.028 1 276 60 60 ILE H H 8.111 0.002 1 277 60 60 ILE C C 180.484 0.030 1 278 60 60 ILE CA C 65.186 0.015 1 279 60 60 ILE CB C 37.756 0.050 1 280 60 60 ILE N N 118.408 0.028 1 281 61 61 ILE H H 9.116 0.005 1 282 61 61 ILE C C 179.559 0.018 1 283 61 61 ILE CA C 65.840 0.046 1 284 61 61 ILE CB C 37.504 0.080 1 285 61 61 ILE N N 126.343 0.014 1 286 62 62 GLN H H 8.359 0.005 1 287 62 62 GLN C C 177.124 0.014 1 288 62 62 GLN CA C 57.733 0.008 1 289 62 62 GLN CB C 27.580 0.077 1 290 62 62 GLN N N 118.033 0.066 1 291 63 63 SER H H 7.452 0.006 1 292 63 63 SER C C 174.953 0.005 1 293 63 63 SER CA C 60.149 0.027 1 294 63 63 SER CB C 65.016 0.021 1 295 63 63 SER N N 115.001 0.038 1 296 64 64 ASP H H 7.788 0.005 1 297 64 64 ASP C C 175.509 0.025 1 298 64 64 ASP CA C 55.397 0.017 1 299 64 64 ASP CB C 40.936 0.079 1 300 64 64 ASP N N 118.687 0.032 1 301 65 65 LEU H H 7.802 0.003 1 302 65 65 LEU C C 177.102 0.061 1 303 65 65 LEU CA C 55.856 0.019 1 304 65 65 LEU CB C 43.083 0.023 1 305 65 65 LEU N N 121.185 0.030 1 306 66 66 LYS H H 8.463 0.001 1 307 66 66 LYS C C 175.180 0.004 1 308 66 66 LYS CA C 54.675 0.005 1 309 66 66 LYS CB C 32.085 0.051 1 310 66 66 LYS N N 124.485 0.073 1 311 67 67 PHE H H 7.593 0.001 1 312 67 67 PHE C C 170.939 0.022 1 313 67 67 PHE CA C 55.395 0.017 1 314 67 67 PHE CB C 39.130 0.101 1 315 67 67 PHE N N 119.646 0.048 1 316 68 68 ASP H H 9.094 0.006 1 317 68 68 ASP C C 176.150 0.050 1 318 68 68 ASP CA C 55.567 0.031 1 319 68 68 ASP CB C 45.376 0.050 1 320 68 68 ASP N N 116.410 0.028 1 321 69 69 VAL C C 174.281 0.005 1 322 69 69 VAL CA C 59.402 0.050 1 323 69 69 VAL CB C 36.976 0.050 1 324 70 70 ILE H H 9.277 0.003 1 325 70 70 ILE C C 172.729 0.015 1 326 70 70 ILE CA C 58.990 0.024 1 327 70 70 ILE CB C 40.041 0.027 1 328 70 70 ILE N N 127.713 0.031 1 329 71 71 PHE H H 9.177 0.001 1 330 71 71 PHE C C 173.619 0.019 1 331 71 71 PHE CA C 55.022 0.049 1 332 71 71 PHE CB C 43.260 0.036 1 333 71 71 PHE N N 129.834 0.018 1 334 72 72 GLY H H 7.667 0.007 1 335 72 72 GLY CA C 41.826 0.022 1 336 72 72 GLY N N 116.542 0.045 1 337 73 73 PRO C C 177.835 0.005 1 338 73 73 PRO CA C 60.123 0.053 1 339 73 73 PRO CB C 31.993 0.048 1 340 74 74 ALA H H 9.122 0.004 1 341 74 74 ALA C C 181.022 0.004 1 342 74 74 ALA CA C 48.235 0.023 1 343 74 74 ALA CB C 17.582 0.053 1 344 74 74 ALA N N 125.014 0.030 1 345 76 76 LYS C C 177.075 0.002 1 346 76 76 LYS CA C 59.352 0.046 1 347 76 76 LYS CB C 31.306 0.050 1 348 77 77 GLY H H 8.607 0.002 1 349 77 77 GLY C C 174.494 0.009 1 350 77 77 GLY CA C 45.207 0.041 1 351 77 77 GLY N N 106.358 0.059 1 352 78 78 ILE H H 7.440 0.006 1 353 78 78 ILE C C 174.359 0.047 1 354 78 78 ILE CA C 66.516 0.015 1 355 78 78 ILE CB C 33.606 0.002 1 356 78 78 ILE N N 120.375 0.024 1 357 79 79 PRO C C 177.892 0.014 1 358 79 79 PRO CA C 64.845 0.074 1 359 79 79 PRO CB C 31.168 0.050 1 360 80 80 LEU H H 5.760 0.005 1 361 80 80 LEU C C 177.126 0.060 1 362 80 80 LEU CA C 56.418 0.011 1 363 80 80 LEU CB C 40.670 0.017 1 364 80 80 LEU N N 111.950 0.052 1 365 81 81 ALA H H 7.982 0.007 1 366 81 81 ALA C C 178.424 0.004 1 367 81 81 ALA CA C 55.109 0.024 1 368 81 81 ALA CB C 17.228 0.020 1 369 81 81 ALA N N 119.554 0.056 1 370 82 82 ALA H H 6.893 0.008 1 371 82 82 ALA C C 178.553 0.033 1 372 82 82 ALA CA C 55.001 0.037 1 373 82 82 ALA CB C 17.602 0.121 1 374 82 82 ALA N N 116.731 0.048 1 375 83 83 ILE H H 7.987 0.006 1 376 83 83 ILE C C 179.184 0.048 1 377 83 83 ILE CA C 64.684 0.009 1 378 83 83 ILE CB C 35.658 0.013 1 379 83 83 ILE N N 109.446 0.053 1 380 84 84 VAL H H 7.845 0.002 1 381 84 84 VAL C C 176.191 0.050 1 382 84 84 VAL CA C 66.451 0.047 1 383 84 84 VAL CB C 30.507 0.050 1 384 84 84 VAL N N 124.067 0.030 1 385 85 85 CYS H H 7.800 0.001 1 386 85 85 CYS C C 176.664 0.050 1 387 85 85 CYS CA C 63.703 0.016 1 388 85 85 CYS CB C 26.017 0.050 1 389 85 85 CYS N N 121.840 0.056 1 390 86 86 VAL H H 7.278 0.002 1 391 86 86 VAL C C 177.679 0.060 1 392 86 86 VAL CA C 66.443 0.036 1 393 86 86 VAL CB C 31.272 0.050 1 394 86 86 VAL N N 115.849 0.019 1 395 87 87 LYS H H 7.716 0.002 1 396 87 87 LYS C C 178.860 0.047 1 397 87 87 LYS CA C 56.500 0.015 1 398 87 87 LYS CB C 29.775 0.030 1 399 87 87 LYS N N 118.423 0.063 1 400 88 88 LEU H H 8.698 0.002 1 401 88 88 LEU C C 178.875 0.013 1 402 88 88 LEU CA C 57.894 0.033 1 403 88 88 LEU CB C 40.964 0.050 1 404 88 88 LEU N N 118.942 0.019 1 405 89 89 ALA H H 7.114 0.004 1 406 89 89 ALA C C 179.895 0.019 1 407 89 89 ALA CA C 54.150 0.024 1 408 89 89 ALA CB C 17.234 0.120 1 409 89 89 ALA N N 119.720 0.057 1 410 90 90 GLU H H 8.010 0.004 1 411 90 90 GLU C C 179.494 0.018 1 412 90 90 GLU CA C 58.518 0.052 1 413 90 90 GLU CB C 29.484 0.021 1 414 90 90 GLU N N 118.213 0.036 1 415 91 91 ILE H H 8.417 0.006 1 416 91 91 ILE C C 177.949 0.038 1 417 91 91 ILE CA C 61.381 0.076 1 418 91 91 ILE CB C 38.863 0.059 1 419 91 91 ILE N N 111.892 0.049 1 420 92 92 GLY H H 8.109 0.005 1 421 92 92 GLY C C 175.006 0.040 1 422 92 92 GLY CA C 45.585 0.040 1 423 92 92 GLY N N 111.415 0.034 1 424 93 93 GLY H H 7.906 0.003 1 425 93 93 GLY C C 176.428 0.036 1 426 93 93 GLY CA C 44.726 0.012 1 427 93 93 GLY N N 108.908 0.039 1 428 95 95 LYS C C 177.373 0.017 1 429 95 95 LYS CA C 58.200 0.034 1 430 95 95 LYS CB C 31.625 0.050 1 431 96 96 PHE H H 7.709 0.005 1 432 96 96 PHE C C 175.757 0.021 1 433 96 96 PHE CA C 57.474 0.011 1 434 96 96 PHE CB C 39.989 0.013 1 435 96 96 PHE N N 115.588 0.048 1 436 97 97 GLN H H 7.260 0.003 1 437 97 97 GLN C C 175.865 0.017 1 438 97 97 GLN CA C 58.525 0.054 1 439 97 97 GLN CB C 28.693 0.058 1 440 97 97 GLN N N 117.376 0.046 1 441 98 98 ASN H H 8.307 0.004 1 442 98 98 ASN C C 175.654 0.013 1 443 98 98 ASN CA C 52.000 0.027 1 444 98 98 ASN CB C 38.594 0.033 1 445 98 98 ASN N N 112.625 0.026 1 446 99 99 ILE H H 6.871 0.006 1 447 99 99 ILE C C 174.782 0.033 1 448 99 99 ILE CA C 60.615 0.049 1 449 99 99 ILE CB C 36.604 0.091 1 450 99 99 ILE N N 121.194 0.029 1 451 100 100 GLN H H 7.760 0.004 1 452 100 100 GLN C C 175.017 0.024 1 453 100 100 GLN CA C 54.072 0.030 1 454 100 100 GLN CB C 32.214 0.003 1 455 100 100 GLN N N 123.347 0.063 1 456 101 101 TYR H H 8.111 0.005 1 457 101 101 TYR C C 173.353 0.011 1 458 101 101 TYR CA C 54.265 0.053 1 459 101 101 TYR CB C 41.244 0.079 1 460 101 101 TYR N N 119.892 0.076 1 461 102 102 ALA H H 8.441 0.004 1 462 102 102 ALA C C 173.800 0.016 1 463 102 102 ALA CA C 50.666 0.038 1 464 102 102 ALA CB C 24.433 0.008 1 465 102 102 ALA N N 122.985 0.045 1 466 103 103 PHE H H 7.750 0.006 1 467 103 103 PHE C C 172.210 0.001 1 468 103 103 PHE CA C 56.071 0.013 1 469 103 103 PHE CB C 41.603 0.047 1 470 103 103 PHE N N 112.251 0.030 1 471 104 104 ASN H H 8.363 0.004 1 472 104 104 ASN C C 172.801 0.022 1 473 104 104 ASN CA C 51.284 0.024 1 474 104 104 ASN CB C 38.908 0.030 1 475 104 104 ASN N N 115.144 0.045 1 476 105 105 ARG H H 8.135 0.003 1 477 105 105 ARG C C 177.386 0.020 1 478 105 105 ARG CA C 54.588 0.059 1 479 105 105 ARG CB C 30.983 0.023 1 480 105 105 ARG N N 115.242 0.044 1 481 106 106 LYS H H 7.964 0.009 1 482 106 106 LYS C C 176.601 0.002 1 483 106 106 LYS CA C 56.570 0.025 1 484 106 106 LYS CB C 31.702 0.176 1 485 106 106 LYS N N 122.695 0.047 1 486 107 107 GLU H H 7.878 0.008 1 487 107 107 GLU C C 175.566 0.018 1 488 107 107 GLU CA C 56.034 0.040 1 489 107 107 GLU CB C 29.884 0.022 1 490 107 107 GLU N N 117.953 0.100 1 491 108 108 ALA H H 8.242 0.005 1 492 108 108 ALA C C 177.686 0.008 1 493 108 108 ALA CA C 52.155 0.014 1 494 108 108 ALA CB C 19.203 0.097 1 495 108 108 ALA N N 125.494 0.032 1 496 109 109 LYS H H 8.284 0.003 1 497 109 109 LYS C C 176.541 0.016 1 498 109 109 LYS CA C 56.437 0.020 1 499 109 109 LYS CB C 32.475 0.022 1 500 109 109 LYS N N 120.575 0.044 1 501 110 110 ASP H H 8.200 0.006 1 502 110 110 ASP C C 176.225 0.016 1 503 110 110 ASP CA C 54.154 0.003 1 504 110 110 ASP CB C 40.847 0.005 1 505 110 110 ASP N N 120.285 0.049 1 506 111 111 HIS C C 175.987 0.049 1 507 111 111 HIS CA C 56.374 0.050 1 508 111 111 HIS CB C 29.657 0.050 1 509 112 112 GLY H H 8.383 0.003 1 510 112 112 GLY C C 174.634 0.006 1 511 112 112 GLY CA C 45.225 0.036 1 512 112 112 GLY N N 109.908 0.043 1 513 113 113 GLU H H 8.348 0.007 1 514 113 113 GLU C C 177.167 0.015 1 515 113 113 GLU CA C 56.341 0.044 1 516 113 113 GLU CB C 29.683 0.052 1 517 113 113 GLU N N 121.459 0.040 1 518 114 114 GLY H H 8.390 0.002 1 519 114 114 GLY C C 174.808 0.024 1 520 114 114 GLY CA C 44.967 0.055 1 521 114 114 GLY N N 110.070 0.038 1 522 115 115 GLY H H 8.132 0.003 1 523 115 115 GLY C C 174.351 0.014 1 524 115 115 GLY CA C 44.978 0.031 1 525 115 115 GLY N N 109.270 0.035 1 526 116 116 ILE H H 8.051 0.004 1 527 116 116 ILE C C 174.927 0.024 1 528 116 116 ILE CA C 61.743 0.020 1 529 116 116 ILE CB C 38.526 0.024 1 530 116 116 ILE N N 118.995 0.044 1 531 117 117 ILE H H 7.746 0.003 1 532 117 117 ILE C C 175.927 0.007 1 533 117 117 ILE CA C 58.169 0.054 1 534 117 117 ILE CB C 35.881 0.023 1 535 117 117 ILE N N 120.668 0.037 1 536 118 118 VAL H H 8.702 0.004 1 537 118 118 VAL C C 174.537 0.011 1 538 118 118 VAL CA C 61.149 0.050 1 539 118 118 VAL CB C 30.781 0.039 1 540 118 118 VAL N N 130.655 0.028 1 541 119 119 GLY H H 7.915 0.005 1 542 119 119 GLY C C 174.287 0.020 1 543 119 119 GLY CA C 44.099 0.023 1 544 119 119 GLY N N 113.477 0.057 1 545 120 120 SER H H 7.640 0.004 1 546 120 120 SER C C 172.866 0.008 1 547 120 120 SER CA C 58.107 0.017 1 548 120 120 SER CB C 64.302 0.027 1 549 120 120 SER N N 116.759 0.037 1 550 121 121 ALA H H 7.938 0.002 1 551 121 121 ALA C C 178.777 0.019 1 552 121 121 ALA CA C 52.109 0.012 1 553 121 121 ALA CB C 18.382 0.022 1 554 121 121 ALA N N 124.065 0.039 1 555 122 122 LEU H H 8.257 0.003 1 556 122 122 LEU C C 176.532 0.035 1 557 122 122 LEU CA C 54.442 0.032 1 558 122 122 LEU CB C 40.912 0.021 1 559 122 122 LEU N N 118.819 0.034 1 560 123 123 GLU H H 7.280 0.004 1 561 123 123 GLU C C 177.195 0.018 1 562 123 123 GLU CA C 57.392 0.025 1 563 123 123 GLU CB C 28.504 0.032 1 564 123 123 GLU N N 118.414 0.056 1 565 124 124 ASN H H 8.500 0.004 1 566 124 124 ASN C C 174.310 0.023 1 567 124 124 ASN CA C 54.920 0.011 1 568 124 124 ASN CB C 37.293 0.017 1 569 124 124 ASN N N 117.920 0.048 1 570 125 125 LYS H H 8.011 0.002 1 571 125 125 LYS C C 174.974 0.008 1 572 125 125 LYS CA C 54.192 0.019 1 573 125 125 LYS CB C 34.023 0.047 1 574 125 125 LYS N N 118.777 0.049 1 575 126 126 ARG H H 9.358 0.004 1 576 126 126 ARG C C 177.468 0.056 1 577 126 126 ARG CA C 55.111 0.018 1 578 126 126 ARG CB C 30.540 0.028 1 579 126 126 ARG N N 120.473 0.039 1 580 127 127 ILE H H 9.569 0.002 1 581 127 127 ILE C C 174.169 0.010 1 582 127 127 ILE CA C 59.185 0.013 1 583 127 127 ILE CB C 39.252 0.012 1 584 127 127 ILE N N 128.523 0.014 1 585 128 128 LEU H H 8.959 0.001 1 586 128 128 LEU C C 174.998 0.012 1 587 128 128 LEU CA C 52.276 0.016 1 588 128 128 LEU CB C 44.209 0.037 1 589 128 128 LEU N N 131.403 0.029 1 590 129 129 ILE H H 7.953 0.002 1 591 129 129 ILE C C 174.268 0.014 1 592 129 129 ILE CA C 61.314 0.008 1 593 129 129 ILE CB C 38.966 0.014 1 594 129 129 ILE N N 128.105 0.009 1 595 130 130 ILE H H 8.805 0.003 1 596 130 130 ILE C C 170.886 0.026 1 597 130 130 ILE CA C 57.560 0.066 1 598 130 130 ILE CB C 41.286 0.050 1 599 130 130 ILE N N 129.261 0.032 1 600 131 131 ASP H H 8.399 0.004 1 601 131 131 ASP C C 176.571 0.024 1 602 131 131 ASP CA C 52.047 0.038 1 603 131 131 ASP CB C 44.230 0.029 1 604 131 131 ASP N N 122.481 0.067 1 605 132 132 ASP H H 9.655 0.008 1 606 132 132 ASP C C 175.546 0.025 1 607 132 132 ASP CA C 56.045 0.025 1 608 132 132 ASP CB C 41.836 0.017 1 609 132 132 ASP N N 121.700 0.037 1 610 133 133 VAL H H 9.412 0.005 1 611 133 133 VAL C C 173.481 0.042 1 612 133 133 VAL CA C 59.945 0.023 1 613 133 133 VAL CB C 37.541 0.056 1 614 133 133 VAL N N 123.655 0.044 1 615 134 134 MET H H 7.343 0.006 1 616 134 134 MET C C 175.202 0.033 1 617 134 134 MET CA C 55.199 0.075 1 618 134 134 MET CB C 35.792 0.012 1 619 134 134 MET N N 123.201 0.054 1 620 135 135 THR H H 11.035 0.004 1 621 135 135 THR CA C 64.080 0.050 1 622 135 135 THR CB C 67.094 0.050 1 623 135 135 THR N N 133.056 0.059 1 624 136 136 ALA C C 178.656 0.050 1 625 137 137 GLY H H 10.291 0.010 1 626 137 137 GLY C C 174.614 0.020 1 627 137 137 GLY CA C 45.565 0.099 1 628 137 137 GLY N N 111.020 0.009 1 629 138 138 THR H H 7.852 0.005 1 630 138 138 THR C C 177.270 0.011 1 631 138 138 THR CA C 65.475 0.067 1 632 138 138 THR CB C 68.131 0.034 1 633 138 138 THR N N 118.791 0.040 1 634 139 139 ALA H H 10.435 0.008 1 635 139 139 ALA C C 182.655 0.036 1 636 139 139 ALA CA C 55.180 0.053 1 637 139 139 ALA CB C 17.799 0.050 1 638 139 139 ALA N N 129.850 0.039 1 639 140 140 ILE H H 8.877 0.002 1 640 140 140 ILE C C 177.489 0.050 1 641 140 140 ILE CA C 62.491 0.037 1 642 140 140 ILE CB C 36.283 0.073 1 643 140 140 ILE N N 122.375 0.045 1 644 141 141 ASN H H 7.758 0.006 1 645 141 141 ASN C C 178.022 0.021 1 646 141 141 ASN CA C 56.873 0.022 1 647 141 141 ASN CB C 38.489 0.014 1 648 141 141 ASN N N 120.869 0.050 1 649 142 142 GLU H H 7.898 0.005 1 650 142 142 GLU C C 179.240 0.014 1 651 142 142 GLU CA C 59.197 0.006 1 652 142 142 GLU CB C 29.119 0.014 1 653 142 142 GLU N N 120.165 0.057 1 654 143 143 ALA H H 7.670 0.007 1 655 143 143 ALA C C 178.917 0.027 1 656 143 143 ALA CA C 54.918 0.028 1 657 143 143 ALA CB C 17.589 0.044 1 658 143 143 ALA N N 121.857 0.026 1 659 144 144 PHE H H 8.284 0.008 1 660 144 144 PHE C C 178.914 0.021 1 661 144 144 PHE CA C 61.807 0.038 1 662 144 144 PHE CB C 38.412 0.036 1 663 144 144 PHE N N 117.627 0.041 1 664 145 145 GLU H H 7.743 0.004 1 665 145 145 GLU C C 178.668 0.014 1 666 145 145 GLU CA C 59.293 0.050 1 667 145 145 GLU CB C 28.921 0.043 1 668 145 145 GLU N N 120.523 0.016 1 669 146 146 ILE H H 7.613 0.006 1 670 146 146 ILE C C 179.091 0.025 1 671 146 146 ILE CA C 64.757 0.036 1 672 146 146 ILE CB C 37.764 0.014 1 673 146 146 ILE N N 120.753 0.036 1 674 147 147 ILE H H 7.679 0.005 1 675 147 147 ILE C C 178.431 0.013 1 676 147 147 ILE CA C 63.634 0.014 1 677 147 147 ILE CB C 35.998 0.196 1 678 147 147 ILE N N 119.193 0.023 1 679 148 148 SER H H 8.340 0.004 1 680 148 148 SER C C 179.573 0.006 1 681 148 148 SER CA C 61.475 0.026 1 682 148 148 SER CB C 62.458 0.013 1 683 148 148 SER N N 116.845 0.024 1 684 149 149 ASN H H 8.244 0.004 1 685 149 149 ASN C C 176.113 0.037 1 686 149 149 ASN CA C 55.603 0.034 1 687 149 149 ASN CB C 37.892 0.065 1 688 149 149 ASN N N 122.220 0.038 1 689 150 150 ALA H H 7.216 0.004 1 690 150 150 ALA C C 175.462 0.077 1 691 150 150 ALA CA C 51.425 0.024 1 692 150 150 ALA CB C 18.675 0.013 1 693 150 150 ALA N N 121.923 0.045 1 694 151 151 LYS H H 7.671 0.004 1 695 151 151 LYS C C 177.450 0.036 1 696 151 151 LYS CA C 57.154 0.029 1 697 151 151 LYS CB C 27.881 0.100 1 698 151 151 LYS N N 110.458 0.071 1 699 152 152 GLY H H 7.965 0.004 1 700 152 152 GLY C C 172.151 0.014 1 701 152 152 GLY CA C 44.610 0.042 1 702 152 152 GLY N N 107.342 0.049 1 703 153 153 GLN H H 8.408 0.004 1 704 153 153 GLN C C 174.949 0.012 1 705 153 153 GLN CA C 53.418 0.011 1 706 153 153 GLN CB C 28.911 0.025 1 707 153 153 GLN N N 121.725 0.035 1 708 154 154 VAL H H 8.866 0.005 1 709 154 154 VAL C C 177.269 0.034 1 710 154 154 VAL CA C 63.494 0.030 1 711 154 154 VAL CB C 30.644 0.065 1 712 154 154 VAL N N 128.946 0.044 1 713 155 155 VAL H H 9.077 0.003 1 714 155 155 VAL C C 175.343 0.050 1 715 155 155 VAL CA C 60.116 0.031 1 716 155 155 VAL CB C 32.157 0.050 1 717 155 155 VAL N N 118.720 0.039 1 718 156 156 GLY H H 7.367 0.002 1 719 156 156 GLY C C 171.278 0.012 1 720 156 156 GLY CA C 45.389 0.044 1 721 156 156 GLY N N 105.706 0.033 1 722 157 157 SER H H 8.022 0.005 1 723 157 157 SER C C 171.308 0.009 1 724 157 157 SER CA C 56.364 0.011 1 725 157 157 SER CB C 66.866 0.053 1 726 157 157 SER N N 114.796 0.022 1 727 158 158 ILE H H 9.198 0.002 1 728 158 158 ILE C C 171.828 0.037 1 729 158 158 ILE CA C 57.814 0.031 1 730 158 158 ILE CB C 40.301 0.035 1 731 158 158 ILE N N 123.379 0.018 1 732 159 159 ILE H H 8.143 0.011 1 733 159 159 ILE C C 174.973 0.015 1 734 159 159 ILE CA C 57.141 0.043 1 735 159 159 ILE CB C 38.931 0.050 1 736 159 159 ILE N N 119.324 0.077 1 737 160 160 ALA H H 8.253 0.005 1 738 160 160 ALA C C 176.303 0.038 1 739 160 160 ALA CA C 54.289 0.012 1 740 160 160 ALA CB C 18.174 0.016 1 741 160 160 ALA N N 123.871 0.059 1 742 161 161 LEU H H 7.108 0.005 1 743 161 161 LEU C C 174.538 0.044 1 744 161 161 LEU CA C 52.257 0.010 1 745 161 161 LEU CB C 44.081 0.023 1 746 161 161 LEU N N 112.485 0.057 1 747 162 162 ASP H H 8.166 0.005 1 748 162 162 ASP C C 176.576 0.029 1 749 162 162 ASP CA C 52.185 0.038 1 750 162 162 ASP CB C 40.922 0.077 1 751 162 162 ASP N N 125.305 0.030 1 752 163 163 ARG H H 7.079 0.007 1 753 163 163 ARG C C 174.478 0.032 1 754 163 163 ARG CA C 59.656 0.029 1 755 163 163 ARG CB C 28.893 0.031 1 756 163 163 ARG N N 124.074 0.055 1 757 164 164 GLN H H 9.071 0.006 1 758 164 164 GLN C C 174.083 0.027 1 759 164 164 GLN CA C 57.601 0.018 1 760 164 164 GLN CB C 27.494 0.007 1 761 164 164 GLN N N 113.804 0.065 1 762 165 165 GLU H H 8.576 0.005 1 763 165 165 GLU C C 176.223 0.011 1 764 165 165 GLU CA C 53.868 0.026 1 765 165 165 GLU CB C 32.382 0.050 1 766 165 165 GLU N N 115.499 0.030 1 767 166 166 VAL H H 8.098 0.004 1 768 166 166 VAL C C 177.430 0.014 1 769 166 166 VAL CA C 60.075 0.012 1 770 166 166 VAL CB C 32.365 0.002 1 771 166 166 VAL N N 110.009 0.026 1 772 167 167 VAL H H 8.900 0.007 1 773 167 167 VAL C C 177.316 0.043 1 774 167 167 VAL CA C 64.974 0.015 1 775 167 167 VAL CB C 31.667 0.075 1 776 167 167 VAL N N 121.701 0.025 1 777 168 168 SER H H 7.240 0.003 1 778 168 168 SER C C 175.785 0.050 1 779 168 168 SER CA C 55.709 0.008 1 780 168 168 SER CB C 64.815 0.040 1 781 168 168 SER N N 109.080 0.022 1 782 169 169 THR C C 174.874 0.009 1 783 169 169 THR CA C 63.673 0.010 1 784 169 169 THR CB C 68.017 0.050 1 785 170 170 ASP H H 8.080 0.003 1 786 170 170 ASP C C 175.981 0.015 1 787 170 170 ASP CA C 54.170 0.017 1 788 170 170 ASP CB C 40.826 0.029 1 789 170 170 ASP N N 119.817 0.025 1 790 171 171 ASP H H 7.067 0.004 1 791 171 171 ASP C C 177.481 0.034 1 792 171 171 ASP CA C 54.047 0.021 1 793 171 171 ASP CB C 41.344 0.015 1 794 171 171 ASP N N 120.049 0.018 1 795 172 172 LYS H H 8.696 0.002 1 796 172 172 LYS C C 178.011 0.015 1 797 172 172 LYS CA C 57.357 0.030 1 798 172 172 LYS CB C 31.635 0.042 1 799 172 172 LYS N N 126.701 0.047 1 800 173 173 GLU H H 8.312 0.003 1 801 173 173 GLU C C 178.298 0.034 1 802 173 173 GLU CA C 57.456 0.016 1 803 173 173 GLU CB C 29.458 0.031 1 804 173 173 GLU N N 119.103 0.027 1 805 174 174 GLY H H 7.782 0.004 1 806 174 174 GLY C C 174.608 0.015 1 807 174 174 GLY CA C 46.398 0.048 1 808 174 174 GLY N N 106.778 0.039 1 809 175 175 LEU H H 7.505 0.002 1 810 175 175 LEU C C 177.838 0.020 1 811 175 175 LEU CA C 54.136 0.025 1 812 175 175 LEU CB C 41.831 0.012 1 813 175 175 LEU N N 118.616 0.031 1 814 176 176 SER H H 8.831 0.005 1 815 176 176 SER C C 176.434 0.037 1 816 176 176 SER CA C 57.196 0.061 1 817 176 176 SER CB C 63.812 0.034 1 818 176 176 SER N N 117.001 0.041 1 819 177 177 ALA H H 9.104 0.004 1 820 177 177 ALA C C 180.200 0.028 1 821 177 177 ALA CA C 56.260 0.012 1 822 177 177 ALA CB C 18.145 0.044 1 823 177 177 ALA N N 129.226 0.059 1 824 178 178 THR H H 10.081 0.006 1 825 178 178 THR C C 178.097 0.005 1 826 178 178 THR CA C 65.748 0.073 1 827 178 178 THR CB C 68.134 0.013 1 828 178 178 THR N N 113.531 0.050 1 829 179 179 GLN H H 7.745 0.003 1 830 179 179 GLN C C 179.305 0.092 1 831 179 179 GLN CA C 58.470 0.010 1 832 179 179 GLN CB C 28.750 0.076 1 833 179 179 GLN N N 122.541 0.074 1 834 180 180 THR C C 176.685 0.003 1 835 180 180 THR CA C 67.230 0.006 1 836 181 181 VAL H H 8.370 0.005 1 837 181 181 VAL C C 177.638 0.016 1 838 181 181 VAL CA C 66.563 0.017 1 839 181 181 VAL CB C 31.270 0.024 1 840 181 181 VAL N N 124.042 0.037 1 841 182 182 SER H H 7.932 0.004 1 842 182 182 SER C C 178.262 0.012 1 843 182 182 SER CA C 60.970 0.030 1 844 182 182 SER CB C 63.677 0.012 1 845 182 182 SER N N 114.528 0.027 1 846 183 183 LYS H H 8.015 0.004 1 847 183 183 LYS C C 178.586 0.016 1 848 183 183 LYS CA C 58.481 0.041 1 849 183 183 LYS CB C 32.146 0.044 1 850 183 183 LYS N N 120.488 0.043 1 851 184 184 LYS H H 8.245 0.006 1 852 184 184 LYS C C 178.440 0.014 1 853 184 184 LYS CA C 58.858 0.033 1 854 184 184 LYS CB C 32.238 0.052 1 855 184 184 LYS N N 120.306 0.029 1 856 185 185 TYR H H 7.770 0.003 1 857 185 185 TYR C C 176.464 0.023 1 858 185 185 TYR CA C 57.303 0.032 1 859 185 185 TYR CB C 39.411 0.003 1 860 185 185 TYR N N 113.244 0.041 1 861 186 186 GLY H H 7.949 0.003 1 862 186 186 GLY C C 174.960 0.016 1 863 186 186 GLY CA C 46.866 0.083 1 864 186 186 GLY N N 112.037 0.045 1 865 187 187 ILE H H 7.186 0.006 1 866 187 187 ILE C C 173.086 0.008 1 867 187 187 ILE CA C 56.688 0.004 1 868 187 187 ILE CB C 39.875 0.030 1 869 187 187 ILE N N 110.756 0.051 1 870 188 188 PRO C C 176.088 0.011 1 871 188 188 PRO CA C 62.130 0.012 1 872 188 188 PRO CB C 31.770 0.050 1 873 189 189 VAL H H 8.070 0.002 1 874 189 189 VAL C C 175.519 0.004 1 875 189 189 VAL CA C 61.075 0.037 1 876 189 189 VAL CB C 31.762 0.020 1 877 189 189 VAL N N 122.104 0.026 1 878 190 190 LEU H H 9.076 0.004 1 879 190 190 LEU C C 175.456 0.019 1 880 190 190 LEU CA C 53.043 0.015 1 881 190 190 LEU CB C 43.232 0.022 1 882 190 190 LEU N N 129.182 0.024 1 883 191 191 SER H H 8.219 0.004 1 884 191 191 SER C C 174.939 0.014 1 885 191 191 SER CA C 55.119 0.024 1 886 191 191 SER CB C 65.629 0.066 1 887 191 191 SER N N 111.891 0.038 1 888 192 192 ILE H H 7.727 0.006 1 889 192 192 ILE C C 176.207 0.026 1 890 192 192 ILE CA C 66.159 0.020 1 891 192 192 ILE CB C 36.288 0.017 1 892 192 192 ILE N N 122.575 0.040 1 893 193 193 VAL H H 7.700 0.002 1 894 193 193 VAL C C 174.530 0.011 1 895 193 193 VAL CA C 58.940 0.036 1 896 193 193 VAL CB C 37.393 0.006 1 897 193 193 VAL N N 107.158 0.012 1 898 194 194 SER H H 10.489 0.003 1 899 194 194 SER C C 175.513 0.014 1 900 194 194 SER CA C 56.183 0.027 1 901 194 194 SER CB C 66.292 0.096 1 902 194 194 SER N N 118.655 0.046 1 903 195 195 LEU H H 7.660 0.005 1 904 195 195 LEU C C 179.249 0.026 1 905 195 195 LEU CA C 58.266 0.028 1 906 195 195 LEU CB C 39.569 0.030 1 907 195 195 LEU N N 124.987 0.032 1 908 196 196 ILE H H 8.446 0.005 1 909 196 196 ILE C C 177.954 0.026 1 910 196 196 ILE CA C 62.290 0.023 1 911 196 196 ILE CB C 36.674 0.005 1 912 196 196 ILE N N 116.686 0.069 1 913 197 197 HIS H H 7.424 0.004 1 914 197 197 HIS C C 177.578 0.005 1 915 197 197 HIS CA C 61.351 0.040 1 916 197 197 HIS CB C 30.828 0.097 1 917 197 197 HIS N N 123.528 0.032 1 918 198 198 ILE H H 7.420 0.004 1 919 198 198 ILE C C 177.205 0.033 1 920 198 198 ILE CA C 66.055 0.045 1 921 198 198 ILE CB C 36.901 0.014 1 922 198 198 ILE N N 118.796 0.043 1 923 199 199 ILE H H 7.995 0.005 1 924 199 199 ILE C C 177.631 0.016 1 925 199 199 ILE CA C 63.926 0.028 1 926 199 199 ILE CB C 36.935 0.001 1 927 199 199 ILE N N 115.844 0.033 1 928 200 200 THR H H 7.560 0.005 1 929 200 200 THR C C 176.555 0.012 1 930 200 200 THR CA C 65.860 0.025 1 931 200 200 THR CB C 69.086 0.119 1 932 200 200 THR N N 114.213 0.064 1 933 201 201 TYR H H 8.403 0.003 1 934 201 201 TYR C C 177.188 0.022 1 935 201 201 TYR CA C 60.777 0.012 1 936 201 201 TYR CB C 39.605 0.011 1 937 201 201 TYR N N 122.462 0.048 1 938 202 202 LEU H H 7.884 0.005 1 939 202 202 LEU C C 176.649 0.018 1 940 202 202 LEU CA C 53.896 0.067 1 941 202 202 LEU CB C 39.977 0.012 1 942 202 202 LEU N N 113.887 0.053 1 943 203 203 GLU H H 6.975 0.008 1 944 203 203 GLU C C 177.468 0.030 1 945 203 203 GLU CA C 58.950 0.008 1 946 203 203 GLU CB C 28.517 0.053 1 947 203 203 GLU N N 122.273 0.053 1 948 204 204 GLY C C 174.832 0.029 1 949 204 204 GLY CA C 45.279 0.049 1 950 205 205 ARG H H 8.246 0.007 1 951 205 205 ARG C C 176.244 0.017 1 952 205 205 ARG CA C 56.046 0.034 1 953 205 205 ARG CB C 31.457 0.070 1 954 205 205 ARG N N 119.847 0.034 1 955 206 206 ILE H H 7.152 0.003 1 956 206 206 ILE C C 176.300 0.018 1 957 206 206 ILE CA C 60.258 0.021 1 958 206 206 ILE CB C 38.950 0.024 1 959 206 206 ILE N N 117.527 0.049 1 960 207 207 THR H H 8.840 0.004 1 961 207 207 THR C C 175.218 0.012 1 962 207 207 THR CA C 61.196 0.019 1 963 207 207 THR CB C 70.767 0.029 1 964 207 207 THR N N 118.119 0.058 1 965 208 208 ALA H H 8.797 0.003 1 966 208 208 ALA C C 181.012 0.039 1 967 208 208 ALA CA C 55.038 0.027 1 968 208 208 ALA CB C 17.401 0.042 1 969 208 208 ALA N N 123.511 0.043 1 970 209 209 GLU H H 8.453 0.003 1 971 209 209 GLU C C 179.236 0.021 1 972 209 209 GLU CA C 59.303 0.062 1 973 209 209 GLU CB C 28.850 0.019 1 974 209 209 GLU N N 119.158 0.020 1 975 210 210 GLU H H 7.674 0.003 1 976 210 210 GLU C C 179.312 0.044 1 977 210 210 GLU CA C 59.093 0.045 1 978 210 210 GLU CB C 28.871 0.055 1 979 210 210 GLU N N 121.773 0.030 1 980 211 211 LYS H H 8.524 0.003 1 981 211 211 LYS C C 178.798 0.060 1 982 211 211 LYS CA C 59.899 0.027 1 983 211 211 LYS CB C 31.734 0.049 1 984 211 211 LYS N N 119.930 0.060 1 985 212 212 SER H H 8.108 0.004 1 986 212 212 SER C C 177.538 0.020 1 987 212 212 SER CA C 61.266 0.019 1 988 212 212 SER CB C 62.661 0.050 1 989 212 212 SER N N 114.667 0.039 1 990 213 213 LYS H H 7.963 0.002 1 991 213 213 LYS C C 181.118 0.071 1 992 213 213 LYS CA C 59.409 0.018 1 993 213 213 LYS CB C 32.182 0.026 1 994 213 213 LYS N N 121.444 0.020 1 995 214 214 ILE H H 8.167 0.002 1 996 214 214 ILE C C 177.247 0.005 1 997 214 214 ILE CA C 65.956 0.058 1 998 214 214 ILE CB C 37.431 0.047 1 999 214 214 ILE N N 122.456 0.060 1 1000 215 215 GLU H H 8.551 0.003 1 1001 215 215 GLU C C 179.914 0.022 1 1002 215 215 GLU CA C 60.066 0.037 1 1003 215 215 GLU CB C 28.920 0.006 1 1004 215 215 GLU N N 120.772 0.062 1 1005 216 216 GLN H H 8.398 0.003 1 1006 216 216 GLN C C 178.878 0.016 1 1007 216 216 GLN CA C 58.695 0.053 1 1008 216 216 GLN CB C 28.393 0.096 1 1009 216 216 GLN N N 118.835 0.038 1 1010 217 217 TYR H H 8.036 0.005 1 1011 217 217 TYR C C 178.875 0.014 1 1012 217 217 TYR CA C 62.071 0.045 1 1013 217 217 TYR CB C 39.041 0.051 1 1014 217 217 TYR N N 123.206 0.037 1 1015 218 218 LEU H H 8.846 0.004 1 1016 218 218 LEU C C 180.315 0.012 1 1017 218 218 LEU CA C 56.253 0.045 1 1018 218 218 LEU CB C 40.850 0.001 1 1019 218 218 LEU N N 119.963 0.061 1 1020 219 219 GLN H H 7.982 0.003 1 1021 219 219 GLN C C 177.417 0.028 1 1022 219 219 GLN CA C 58.587 0.039 1 1023 219 219 GLN CB C 27.594 0.066 1 1024 219 219 GLN N N 120.993 0.037 1 1025 220 220 THR H H 7.079 0.005 1 1026 220 220 THR C C 175.321 0.009 1 1027 220 220 THR CA C 64.857 0.026 1 1028 220 220 THR CB C 69.063 0.021 1 1029 220 220 THR N N 113.808 0.048 1 1030 221 221 TYR H H 7.815 0.003 1 1031 221 221 TYR C C 175.965 0.002 1 1032 221 221 TYR CA C 58.983 0.026 1 1033 221 221 TYR CB C 40.513 0.054 1 1034 221 221 TYR N N 115.934 0.031 1 1035 222 222 GLY H H 8.805 0.004 1 1036 222 222 GLY C C 173.846 0.027 1 1037 222 222 GLY CA C 45.700 0.039 1 1038 222 222 GLY N N 108.976 0.049 1 1039 223 223 ALA H H 8.173 0.005 1 1040 223 223 ALA C C 177.821 0.011 1 1041 223 223 ALA CA C 51.784 0.017 1 1042 223 223 ALA CB C 18.698 0.011 1 1043 223 223 ALA N N 126.973 0.030 1 1044 224 224 SER H H 8.751 0.003 1 1045 224 224 SER C C 175.612 0.020 1 1046 224 224 SER CA C 59.095 0.026 1 1047 224 224 SER CB C 63.536 0.068 1 1048 224 224 SER N N 119.245 0.060 1 1049 225 225 ALA H H 8.461 0.002 1 1050 225 225 ALA C C 178.345 0.015 1 1051 225 225 ALA CA C 53.058 0.012 1 1052 225 225 ALA CB C 18.581 0.011 1 1053 225 225 ALA N N 125.693 0.036 1 1054 226 226 GLU H H 8.110 0.005 1 1055 226 226 GLU C C 176.349 0.010 1 1056 226 226 GLU CA C 56.366 0.019 1 1057 226 226 GLU CB C 29.320 0.057 1 1058 226 226 GLU N N 118.060 0.030 1 1059 227 227 ASN H H 8.059 0.004 1 1060 227 227 ASN C C 174.973 0.009 1 1061 227 227 ASN CA C 53.328 0.010 1 1062 227 227 ASN CB C 38.211 0.011 1 1063 227 227 ASN N N 118.217 0.032 1 1064 228 228 LEU H H 7.944 0.001 1 1065 228 228 LEU C C 176.356 0.011 1 1066 228 228 LEU CA C 54.778 0.016 1 1067 228 228 LEU CB C 41.389 0.038 1 1068 228 228 LEU N N 122.100 0.018 1 1069 229 229 TYR H H 7.625 0.004 1 1070 229 229 TYR C C 175.330 0.005 1 1071 229 229 TYR CA C 57.229 0.025 1 1072 229 229 TYR CB C 38.483 0.050 1 1073 229 229 TYR N N 119.097 0.036 1 1074 230 230 PHE H H 8.045 0.002 1 1075 230 230 PHE C C 174.915 0.004 1 1076 230 230 PHE CA C 57.348 0.019 1 1077 230 230 PHE CB C 38.939 0.048 1 1078 230 230 PHE N N 120.957 0.012 1 1079 231 231 GLN H H 7.790 0.002 1 1080 231 231 GLN C C 180.558 0.001 1 1081 231 231 GLN CA C 57.156 0.001 1 1082 231 231 GLN CB C 29.944 0.050 1 1083 231 231 GLN N N 126.395 0.011 1 stop_ save_