data_18774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H-13C-15N NMR assignments of yeast OMP synthase ; _BMRB_accession_number 18774 _BMRB_flat_file_name bmr18774.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" 212 "13C chemical shifts" 656 "15N chemical shifts" 212 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18775 'yeast OMP synthase in complex with orotidine 5 -monophosphate' 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 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 18775 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $oprtase 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) 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 BL21(DE3) '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' 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 Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _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_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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_ save_sample_conditions_2 _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 303 . 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 174.849 0.009 1 2 2 2 ILE CA C 60.355 0.053 1 3 2 2 ILE CB C 37.489 0.056 1 4 3 3 MET H H 8.431 0.003 1 5 3 3 MET C C 175.351 0.016 1 6 3 3 MET CA C 54.148 0.045 1 7 3 3 MET CB C 32.776 0.052 1 8 3 3 MET N N 125.422 0.029 1 9 4 4 LEU H H 8.489 0.005 1 10 4 4 LEU C C 177.359 0.026 1 11 4 4 LEU CA C 54.571 0.040 1 12 4 4 LEU CB C 42.557 0.037 1 13 4 4 LEU N N 124.431 0.037 1 14 5 5 GLU H H 8.611 0.005 1 15 5 5 GLU C C 178.702 0.050 1 16 5 5 GLU CA C 54.850 0.072 1 17 5 5 GLU CB C 31.015 0.127 1 18 5 5 GLU N N 121.944 0.034 1 19 6 6 ASP H H 9.462 0.005 1 20 6 6 ASP C C 179.532 0.007 1 21 6 6 ASP CA C 58.516 0.076 1 22 6 6 ASP CB C 38.806 0.089 1 23 6 6 ASP N N 125.561 0.045 1 24 7 7 TYR H H 8.809 0.006 1 25 7 7 TYR C C 177.865 0.040 1 26 7 7 TYR CA C 59.881 0.067 1 27 7 7 TYR CB C 36.088 0.050 1 28 7 7 TYR N N 115.791 0.039 1 29 8 8 GLN H H 6.363 0.006 1 30 8 8 GLN C C 177.210 0.009 1 31 8 8 GLN CA C 58.033 0.049 1 32 8 8 GLN CB C 28.549 0.095 1 33 8 8 GLN N N 121.448 0.041 1 34 9 9 LYS H H 7.563 0.011 1 35 9 9 LYS C C 177.691 0.047 1 36 9 9 LYS CA C 60.027 0.078 1 37 9 9 LYS CB C 31.453 0.042 1 38 9 9 LYS N N 119.621 0.056 1 39 10 10 ASN H H 8.343 0.007 1 40 10 10 ASN C C 177.216 0.022 1 41 10 10 ASN CA C 55.920 0.041 1 42 10 10 ASN CB C 37.965 0.062 1 43 10 10 ASN N N 115.675 0.033 1 44 11 11 PHE H H 7.462 0.007 1 45 11 11 PHE C C 176.253 0.039 1 46 11 11 PHE CA C 61.240 0.080 1 47 11 11 PHE CB C 38.536 0.081 1 48 11 11 PHE N N 118.848 0.038 1 49 12 12 LEU H H 7.826 0.006 1 50 12 12 LEU C C 178.212 0.010 1 51 12 12 LEU CA C 57.402 0.038 1 52 12 12 LEU CB C 40.271 0.077 1 53 12 12 LEU N N 118.560 0.061 1 54 13 13 GLU H H 8.322 0.006 1 55 13 13 GLU C C 180.655 0.022 1 56 13 13 GLU CA C 59.373 0.029 1 57 13 13 GLU CB C 28.709 0.046 1 58 13 13 GLU N N 118.799 0.046 1 59 14 14 LEU H H 7.836 0.009 1 60 14 14 LEU C C 178.803 0.027 1 61 14 14 LEU CA C 56.932 0.082 1 62 14 14 LEU CB C 40.823 0.074 1 63 14 14 LEU N N 119.746 0.065 1 64 15 15 ALA H H 8.704 0.003 1 65 15 15 ALA C C 179.874 0.039 1 66 15 15 ALA CA C 54.428 0.053 1 67 15 15 ALA CB C 16.601 0.054 1 68 15 15 ALA N N 122.187 0.039 1 69 16 16 ILE H H 8.050 0.005 1 70 16 16 ILE C C 180.166 0.043 1 71 16 16 ILE CA C 63.602 0.079 1 72 16 16 ILE CB C 37.325 0.096 1 73 16 16 ILE N N 118.872 0.047 1 74 17 17 GLU H H 8.034 0.008 1 75 17 17 GLU C C 178.254 0.006 1 76 17 17 GLU CA C 59.691 0.048 1 77 17 17 GLU CB C 29.247 0.050 1 78 17 17 GLU N N 123.711 0.037 1 79 18 18 CYS H H 8.287 0.005 1 80 18 18 CYS C C 173.913 0.009 1 81 18 18 CYS CA C 57.407 0.068 1 82 18 18 CYS CB C 28.655 0.050 1 83 18 18 CYS N N 113.076 0.046 1 84 19 19 GLN H H 7.338 0.008 1 85 19 19 GLN C C 173.904 0.034 1 86 19 19 GLN CA C 57.895 0.051 1 87 19 19 GLN CB C 24.897 0.123 1 88 19 19 GLN N N 112.354 0.040 1 89 20 20 ALA H H 8.096 0.009 1 90 20 20 ALA C C 176.155 0.008 1 91 20 20 ALA CA C 54.328 0.057 1 92 20 20 ALA CB C 20.155 0.047 1 93 20 20 ALA N N 122.424 0.035 1 94 21 21 LEU H H 7.060 0.008 1 95 21 21 LEU C C 173.931 0.016 1 96 21 21 LEU CA C 52.570 0.036 1 97 21 21 LEU CB C 44.377 0.098 1 98 21 21 LEU N N 116.553 0.037 1 99 22 22 ARG H H 8.178 0.005 1 100 22 22 ARG C C 173.743 0.014 1 101 22 22 ARG CA C 53.619 0.032 1 102 22 22 ARG CB C 34.162 0.035 1 103 22 22 ARG N N 122.402 0.020 1 104 23 23 PHE H H 8.901 0.002 1 105 23 23 PHE C C 175.431 0.014 1 106 23 23 PHE CA C 57.345 0.040 1 107 23 23 PHE CB C 40.580 0.057 1 108 23 23 PHE N N 119.585 0.042 1 109 24 24 GLY H H 8.029 0.008 1 110 24 24 GLY C C 170.964 0.004 1 111 24 24 GLY CA C 45.690 0.027 1 112 24 24 GLY N N 111.562 0.064 1 113 25 25 SER H H 7.569 0.001 1 114 25 25 SER C C 173.288 0.009 1 115 25 25 SER CA C 57.119 0.054 1 116 25 25 SER CB C 63.018 0.083 1 117 25 25 SER N N 118.510 0.047 1 118 26 26 PHE H H 8.765 0.003 1 119 26 26 PHE C C 174.552 0.014 1 120 26 26 PHE CA C 56.411 0.068 1 121 26 26 PHE CB C 40.108 0.066 1 122 26 26 PHE N N 126.059 0.016 1 123 27 27 LYS H H 8.691 0.002 1 124 27 27 LYS C C 176.921 0.023 1 125 27 27 LYS CA C 55.993 0.089 1 126 27 27 LYS CB C 31.785 0.060 1 127 27 27 LYS N N 124.881 0.049 1 128 28 28 LEU H H 8.696 0.001 1 129 28 28 LEU C C 179.640 0.009 1 130 28 28 LEU CA C 53.763 0.033 1 131 28 28 LEU CB C 41.710 0.045 1 132 28 28 LEU N N 126.007 0.039 1 133 30 30 SER C C 175.678 0.026 1 134 30 30 SER CA C 58.243 0.083 1 135 30 30 SER CB C 63.652 0.134 1 136 31 31 GLY H H 8.176 0.005 1 137 31 31 GLY C C 173.733 0.016 1 138 31 31 GLY CA C 44.644 0.041 1 139 31 31 GLY N N 111.056 0.025 1 140 32 32 ARG H H 7.067 0.006 1 141 32 32 ARG C C 174.687 0.013 1 142 32 32 ARG CA C 55.731 0.035 1 143 32 32 ARG CB C 30.978 0.039 1 144 32 32 ARG N N 120.247 0.029 1 145 33 33 GLU H H 8.621 0.002 1 146 33 33 GLU C C 175.618 0.013 1 147 33 33 GLU CA C 55.234 0.079 1 148 33 33 GLU CB C 29.346 0.074 1 149 33 33 GLU N N 124.600 0.027 1 150 34 34 SER H H 8.882 0.005 1 151 34 34 SER C C 174.605 0.004 1 152 34 34 SER CA C 53.882 0.060 1 153 34 34 SER CB C 65.071 0.096 1 154 34 34 SER N N 120.939 0.049 1 155 35 35 PRO C C 175.422 0.010 1 156 35 35 PRO CA C 62.869 0.051 1 157 35 35 PRO CB C 30.640 0.054 1 158 36 36 TYR H H 7.545 0.006 1 159 36 36 TYR C C 171.975 0.012 1 160 36 36 TYR CA C 55.738 0.049 1 161 36 36 TYR CB C 41.160 0.022 1 162 36 36 TYR N N 116.298 0.056 1 163 37 37 PHE H H 8.689 0.006 1 164 37 37 PHE C C 172.675 0.024 1 165 37 37 PHE CA C 56.273 0.040 1 166 37 37 PHE CB C 40.457 0.091 1 167 37 37 PHE N N 124.710 0.113 1 168 38 38 PHE H H 7.567 0.002 1 169 38 38 PHE C C 173.689 0.014 1 170 38 38 PHE CA C 54.988 0.069 1 171 38 38 PHE CB C 42.256 0.038 1 172 38 38 PHE N N 127.055 0.032 1 173 39 39 ASN H H 8.649 0.003 1 174 39 39 ASN C C 174.160 0.017 1 175 39 39 ASN CA C 51.283 0.040 1 176 39 39 ASN CB C 39.278 0.067 1 177 39 39 ASN N N 125.805 0.033 1 178 40 40 LEU H H 9.040 0.003 1 179 40 40 LEU C C 178.393 0.007 1 180 40 40 LEU CA C 55.690 0.050 1 181 40 40 LEU CB C 41.529 0.039 1 182 40 40 LEU N N 127.138 0.044 1 183 41 41 GLY H H 8.314 0.010 1 184 41 41 GLY C C 174.577 0.021 1 185 41 41 GLY CA C 45.840 0.032 1 186 41 41 GLY N N 105.790 0.053 1 187 42 42 LEU H H 6.925 0.007 1 188 42 42 LEU C C 178.421 0.038 1 189 42 42 LEU CA C 55.130 0.097 1 190 42 42 LEU CB C 39.022 0.058 1 191 42 42 LEU N N 119.683 0.059 1 192 43 43 PHE H H 7.970 0.006 1 193 43 43 PHE C C 175.774 0.016 1 194 43 43 PHE CA C 57.283 0.050 1 195 43 43 PHE CB C 36.187 0.049 1 196 43 43 PHE N N 120.628 0.088 1 197 44 44 ASN H H 7.524 0.011 1 198 44 44 ASN C C 175.111 0.021 1 199 44 44 ASN CA C 52.573 0.071 1 200 44 44 ASN CB C 37.877 0.110 1 201 44 44 ASN N N 118.882 0.072 1 202 45 45 THR H H 7.029 0.008 1 203 45 45 THR C C 176.642 0.011 1 204 45 45 THR CA C 57.841 0.063 1 205 45 45 THR CB C 72.586 0.097 1 206 45 45 THR N N 106.791 0.032 1 207 46 46 GLY H H 8.703 0.008 1 208 46 46 GLY C C 175.662 0.009 1 209 46 46 GLY CA C 49.633 0.095 1 210 46 46 GLY N N 108.403 0.051 1 211 47 47 LYS H H 8.086 0.007 1 212 47 47 LYS C C 179.799 0.029 1 213 47 47 LYS CA C 59.363 0.047 1 214 47 47 LYS CB C 32.055 0.165 1 215 47 47 LYS N N 120.557 0.023 1 216 48 48 LEU H H 7.868 0.007 1 217 48 48 LEU C C 179.578 0.018 1 218 48 48 LEU CA C 58.404 0.037 1 219 48 48 LEU CB C 40.738 0.055 1 220 48 48 LEU N N 121.395 0.018 1 221 49 49 LEU H H 9.465 0.006 1 222 49 49 LEU C C 178.756 0.004 1 223 49 49 LEU CA C 57.791 0.049 1 224 49 49 LEU CB C 42.995 0.057 1 225 49 49 LEU N N 121.010 0.043 1 226 50 50 SER H H 8.364 0.005 1 227 50 50 SER C C 178.221 0.004 1 228 50 50 SER CA C 61.602 0.025 1 229 50 50 SER CB C 62.506 0.103 1 230 50 50 SER N N 113.960 0.052 1 231 51 51 ASN H H 7.642 0.008 1 232 51 51 ASN C C 178.013 0.035 1 233 51 51 ASN CA C 57.028 0.047 1 234 51 51 ASN CB C 40.405 0.058 1 235 51 51 ASN N N 117.666 0.044 1 236 52 52 LEU H H 8.971 0.005 1 237 52 52 LEU C C 177.482 0.025 1 238 52 52 LEU CA C 57.794 0.030 1 239 52 52 LEU CB C 41.591 0.036 1 240 52 52 LEU N N 124.611 0.047 1 241 53 53 ALA H H 8.815 0.003 1 242 53 53 ALA C C 179.480 0.031 1 243 53 53 ALA CA C 54.728 0.032 1 244 53 53 ALA CB C 17.478 0.026 1 245 53 53 ALA N N 120.033 0.048 1 246 54 54 THR H H 7.719 0.007 1 247 54 54 THR C C 174.171 0.392 1 248 54 54 THR CA C 67.284 0.045 1 249 54 54 THR CB C 68.303 0.114 1 250 54 54 THR N N 114.628 0.039 1 251 55 55 ALA H H 7.772 0.004 1 252 55 55 ALA C C 178.937 0.012 1 253 55 55 ALA CA C 55.680 0.037 1 254 55 55 ALA CB C 17.321 0.106 1 255 55 55 ALA N N 123.880 0.041 1 256 56 56 TYR H H 7.794 0.005 1 257 56 56 TYR C C 178.246 0.086 1 258 56 56 TYR CA C 62.141 0.010 1 259 56 56 TYR CB C 40.822 0.101 1 260 56 56 TYR N N 113.552 0.053 1 261 57 57 ALA H H 8.208 0.003 1 262 57 57 ALA C C 178.861 0.034 1 263 57 57 ALA CA C 55.273 0.049 1 264 57 57 ALA CB C 17.425 0.039 1 265 57 57 ALA N N 118.318 0.032 1 266 58 58 ILE H H 8.551 0.002 1 267 58 58 ILE C C 177.699 0.007 1 268 58 58 ILE CA C 65.303 0.039 1 269 58 58 ILE CB C 36.499 0.050 1 270 58 58 ILE N N 118.373 0.021 1 271 59 59 ALA H H 7.080 0.005 1 272 59 59 ALA C C 181.204 0.016 1 273 59 59 ALA CA C 54.938 0.014 1 274 59 59 ALA CB C 17.242 0.063 1 275 59 59 ALA N N 121.456 0.036 1 276 60 60 ILE H H 8.038 0.002 1 277 60 60 ILE C C 180.544 0.002 1 278 60 60 ILE CA C 65.172 0.041 1 279 60 60 ILE CB C 37.320 0.050 1 280 60 60 ILE N N 117.767 0.052 1 281 61 61 ILE H H 9.034 0.005 1 282 61 61 ILE C C 179.475 0.029 1 283 61 61 ILE CA C 65.915 0.062 1 284 61 61 ILE CB C 37.536 0.119 1 285 61 61 ILE N N 126.516 0.015 1 286 62 62 GLN H H 8.546 0.002 1 287 62 62 GLN C C 177.165 0.025 1 288 62 62 GLN CA C 57.762 0.056 1 289 62 62 GLN CB C 27.288 0.042 1 290 62 62 GLN N N 117.411 0.034 1 291 63 63 SER H H 7.493 0.009 1 292 63 63 SER C C 175.008 0.022 1 293 63 63 SER CA C 60.225 0.050 1 294 63 63 SER CB C 64.788 0.142 1 295 63 63 SER N N 114.904 0.059 1 296 64 64 ASP H H 7.772 0.009 1 297 64 64 ASP C C 175.511 0.006 1 298 64 64 ASP CA C 55.492 0.055 1 299 64 64 ASP CB C 40.651 0.152 1 300 64 64 ASP N N 118.108 0.051 1 301 65 65 LEU H H 7.893 0.003 1 302 65 65 LEU C C 177.227 0.015 1 303 65 65 LEU CA C 55.833 0.033 1 304 65 65 LEU CB C 42.538 0.042 1 305 65 65 LEU N N 121.201 0.025 1 306 66 66 LYS H H 8.515 0.005 1 307 66 66 LYS C C 175.314 0.016 1 308 66 66 LYS CA C 54.692 0.035 1 309 66 66 LYS CB C 31.609 0.054 1 310 66 66 LYS N N 124.696 0.054 1 311 67 67 PHE H H 7.618 0.001 1 312 67 67 PHE C C 170.791 0.002 1 313 67 67 PHE CA C 55.657 0.039 1 314 67 67 PHE CB C 38.912 0.077 1 315 67 67 PHE N N 119.526 0.040 1 316 68 68 ASP H H 9.120 0.008 1 317 68 68 ASP C C 175.924 0.050 1 318 68 68 ASP CA C 55.601 0.009 1 319 68 68 ASP CB C 45.682 0.001 1 320 68 68 ASP N N 116.045 0.025 1 321 69 69 VAL C C 174.268 0.008 1 322 69 69 VAL CA C 59.512 0.011 1 323 69 69 VAL CB C 36.633 0.062 1 324 70 70 ILE H H 9.278 0.002 1 325 70 70 ILE C C 172.482 0.019 1 326 70 70 ILE CA C 58.809 0.014 1 327 70 70 ILE CB C 40.164 0.024 1 328 70 70 ILE N N 127.753 0.055 1 329 71 71 PHE H H 9.284 0.002 1 330 71 71 PHE C C 174.081 0.039 1 331 71 71 PHE CA C 54.895 0.028 1 332 71 71 PHE CB C 43.436 0.041 1 333 71 71 PHE N N 129.997 0.040 1 334 72 72 GLY H H 7.873 0.006 1 335 72 72 GLY C C 169.409 0.005 1 336 72 72 GLY CA C 42.375 0.002 1 337 72 72 GLY N N 116.994 0.035 1 338 73 73 PRO C C 177.833 0.017 1 339 73 73 PRO CA C 60.430 0.039 1 340 73 73 PRO CB C 31.651 0.131 1 341 74 74 ALA H H 8.950 0.006 1 342 74 74 ALA C C 181.009 0.006 1 343 74 74 ALA CA C 48.205 0.002 1 344 74 74 ALA CB C 16.996 0.050 1 345 74 74 ALA N N 125.228 0.079 1 346 75 75 TYR C C 178.240 0.050 1 347 75 75 TYR CA C 64.899 0.044 1 348 76 76 LYS H H 8.333 0.006 1 349 76 76 LYS C C 177.164 0.027 1 350 76 76 LYS CA C 58.996 0.051 1 351 76 76 LYS CB C 31.493 0.047 1 352 76 76 LYS N N 117.899 0.038 1 353 77 77 GLY H H 8.505 0.010 1 354 77 77 GLY C C 174.714 0.014 1 355 77 77 GLY CA C 45.507 0.035 1 356 77 77 GLY N N 106.078 0.039 1 357 78 78 ILE H H 7.472 0.008 1 358 78 78 ILE C C 174.395 0.020 1 359 78 78 ILE CA C 66.784 0.017 1 360 78 78 ILE CB C 33.318 0.050 1 361 78 78 ILE N N 120.038 0.027 1 362 79 79 PRO C C 177.960 0.005 1 363 79 79 PRO CA C 64.841 0.043 1 364 79 79 PRO CB C 30.973 0.033 1 365 80 80 LEU H H 5.732 0.009 1 366 80 80 LEU C C 177.155 0.009 1 367 80 80 LEU CA C 56.517 0.033 1 368 80 80 LEU CB C 40.297 0.111 1 369 80 80 LEU N N 111.991 0.070 1 370 81 81 ALA H H 8.063 0.004 1 371 81 81 ALA C C 178.401 0.001 1 372 81 81 ALA CA C 55.230 0.054 1 373 81 81 ALA CB C 16.888 0.072 1 374 81 81 ALA N N 119.554 0.048 1 375 82 82 ALA H H 6.949 0.006 1 376 82 82 ALA C C 178.513 0.042 1 377 82 82 ALA CA C 55.033 0.088 1 378 82 82 ALA CB C 17.310 0.121 1 379 82 82 ALA N N 116.816 0.043 1 380 83 83 ILE H H 7.920 0.004 1 381 83 83 ILE C C 179.293 0.012 1 382 83 83 ILE CA C 64.730 0.062 1 383 83 83 ILE CB C 35.477 0.050 1 384 83 83 ILE N N 108.833 0.049 1 385 84 84 VAL H H 7.911 0.002 1 386 84 84 VAL C C 176.027 0.014 1 387 84 84 VAL CA C 66.434 0.007 1 388 84 84 VAL CB C 30.287 0.050 1 389 84 84 VAL N N 123.903 0.066 1 390 85 85 CYS H H 7.890 0.003 1 391 85 85 CYS C C 176.458 0.044 1 392 85 85 CYS CA C 63.691 0.024 1 393 85 85 CYS CB C 25.902 0.050 1 394 85 85 CYS N N 121.841 0.090 1 395 86 86 VAL H H 7.198 0.002 1 396 86 86 VAL C C 177.740 0.006 1 397 86 86 VAL CA C 66.282 0.041 1 398 86 86 VAL CB C 30.999 0.018 1 399 86 86 VAL N N 115.283 0.061 1 400 87 87 LYS H H 7.669 0.005 1 401 87 87 LYS C C 178.827 0.015 1 402 87 87 LYS CA C 56.490 0.065 1 403 87 87 LYS CB C 29.754 0.019 1 404 87 87 LYS N N 118.156 0.033 1 405 88 88 LEU H H 8.723 0.003 1 406 88 88 LEU C C 178.767 0.025 1 407 88 88 LEU CA C 58.065 0.044 1 408 88 88 LEU CB C 40.803 0.113 1 409 88 88 LEU N N 119.129 0.030 1 410 89 89 ALA H H 7.056 0.008 1 411 89 89 ALA C C 179.974 0.017 1 412 89 89 ALA CA C 54.113 0.031 1 413 89 89 ALA CB C 17.307 0.043 1 414 89 89 ALA N N 119.184 0.053 1 415 90 90 GLU H H 8.006 0.006 1 416 90 90 GLU C C 179.541 0.024 1 417 90 90 GLU CA C 58.625 0.083 1 418 90 90 GLU CB C 29.128 0.133 1 419 90 90 GLU N N 118.151 0.040 1 420 91 91 ILE H H 8.387 0.010 1 421 91 91 ILE C C 178.024 0.019 1 422 91 91 ILE CA C 61.291 0.090 1 423 91 91 ILE CB C 38.578 0.038 1 424 91 91 ILE N N 111.472 0.070 1 425 92 92 GLY H H 8.096 0.007 1 426 92 92 GLY C C 174.944 0.012 1 427 92 92 GLY CA C 45.666 0.050 1 428 92 92 GLY N N 110.983 0.051 1 429 93 93 GLY H H 7.979 0.006 1 430 93 93 GLY C C 176.368 0.015 1 431 93 93 GLY CA C 44.760 0.032 1 432 93 93 GLY N N 108.617 0.081 1 433 95 95 LYS C C 177.350 0.023 1 434 95 95 LYS CA C 58.128 0.080 1 435 95 95 LYS CB C 31.683 0.017 1 436 96 96 PHE H H 7.654 0.008 1 437 96 96 PHE C C 175.679 0.007 1 438 96 96 PHE CA C 57.802 0.058 1 439 96 96 PHE CB C 39.885 0.120 1 440 96 96 PHE N N 115.173 0.051 1 441 97 97 GLN H H 7.252 0.007 1 442 97 97 GLN C C 175.711 0.025 1 443 97 97 GLN CA C 58.535 0.054 1 444 97 97 GLN CB C 28.396 0.064 1 445 97 97 GLN N N 117.276 0.054 1 446 98 98 ASN H H 8.271 0.004 1 447 98 98 ASN C C 175.607 0.012 1 448 98 98 ASN CA C 51.894 0.052 1 449 98 98 ASN CB C 38.248 0.076 1 450 98 98 ASN N N 112.473 0.056 1 451 99 99 ILE H H 6.941 0.008 1 452 99 99 ILE C C 174.642 0.019 1 453 99 99 ILE CA C 60.251 0.040 1 454 99 99 ILE CB C 36.324 0.028 1 455 99 99 ILE N N 121.463 0.075 1 456 100 100 GLN H H 7.652 0.009 1 457 100 100 GLN C C 174.810 0.020 1 458 100 100 GLN CA C 54.315 0.047 1 459 100 100 GLN CB C 31.894 0.062 1 460 100 100 GLN N N 123.859 0.049 1 461 101 101 TYR H H 8.208 0.008 1 462 101 101 TYR C C 173.201 0.013 1 463 101 101 TYR CA C 54.504 0.028 1 464 101 101 TYR CB C 41.220 0.076 1 465 101 101 TYR N N 119.870 0.054 1 466 102 102 ALA H H 8.362 0.005 1 467 102 102 ALA C C 173.875 0.004 1 468 102 102 ALA CA C 50.676 0.034 1 469 102 102 ALA CB C 24.042 0.046 1 470 102 102 ALA N N 122.496 0.047 1 471 103 103 PHE H H 7.874 0.009 1 472 103 103 PHE C C 171.921 0.017 1 473 103 103 PHE CA C 56.030 0.056 1 474 103 103 PHE CB C 41.425 0.061 1 475 103 103 PHE N N 112.194 0.056 1 476 104 104 ASN H H 8.176 0.012 1 477 104 104 ASN C C 173.000 0.028 1 478 104 104 ASN CA C 51.220 0.051 1 479 104 104 ASN CB C 38.913 0.065 1 480 104 104 ASN N N 114.053 0.052 1 481 105 105 ARG H H 8.121 0.003 1 482 105 105 ARG C C 177.473 0.027 1 483 105 105 ARG CA C 54.676 0.040 1 484 105 105 ARG CB C 30.539 0.031 1 485 105 105 ARG N N 115.204 0.041 1 486 106 106 LYS H H 7.901 0.005 1 487 106 106 LYS C C 176.575 0.075 1 488 106 106 LYS CA C 56.546 0.035 1 489 106 106 LYS CB C 31.465 0.061 1 490 106 106 LYS N N 122.133 0.077 1 491 107 107 GLU H H 7.910 0.006 1 492 107 107 GLU C C 175.519 0.007 1 493 107 107 GLU CA C 55.988 0.051 1 494 107 107 GLU CB C 29.666 0.039 1 495 107 107 GLU N N 117.803 0.064 1 496 108 108 ALA H H 8.244 0.003 1 497 108 108 ALA C C 177.712 0.031 1 498 108 108 ALA CA C 52.123 0.032 1 499 108 108 ALA CB C 18.960 0.044 1 500 108 108 ALA N N 125.294 0.037 1 501 109 109 LYS H H 8.292 0.003 1 502 109 109 LYS C C 176.552 0.008 1 503 109 109 LYS CA C 56.473 0.019 1 504 109 109 LYS CB C 32.176 0.041 1 505 109 109 LYS N N 120.197 0.040 1 506 110 110 ASP H H 8.183 0.001 1 507 110 110 ASP C C 176.243 0.016 1 508 110 110 ASP CA C 54.171 0.034 1 509 110 110 ASP CB C 40.628 0.089 1 510 110 110 ASP N N 119.619 0.035 1 511 111 111 HIS C C 175.980 0.010 1 512 111 111 HIS CA C 56.261 0.026 1 513 111 111 HIS CB C 29.343 0.076 1 514 112 112 GLY H H 8.371 0.002 1 515 112 112 GLY C C 174.668 0.010 1 516 112 112 GLY CA C 45.238 0.034 1 517 112 112 GLY N N 109.495 0.025 1 518 113 113 GLU H H 8.329 0.002 1 519 113 113 GLU C C 177.177 0.010 1 520 113 113 GLU CA C 56.508 0.052 1 521 113 113 GLU CB C 29.379 0.056 1 522 113 113 GLU N N 121.180 0.023 1 523 114 114 GLY H H 8.391 0.002 1 524 114 114 GLY C C 174.814 0.021 1 525 114 114 GLY CA C 44.993 0.037 1 526 114 114 GLY N N 109.818 0.052 1 527 115 115 GLY H H 8.107 0.002 1 528 115 115 GLY C C 174.280 0.023 1 529 115 115 GLY CA C 44.978 0.032 1 530 115 115 GLY N N 109.047 0.037 1 531 116 116 ILE H H 8.058 0.002 1 532 116 116 ILE C C 174.804 0.014 1 533 116 116 ILE CA C 62.024 0.088 1 534 116 116 ILE CB C 38.276 0.066 1 535 116 116 ILE N N 119.035 0.033 1 536 117 117 ILE H H 7.653 0.003 1 537 117 117 ILE C C 175.734 0.031 1 538 117 117 ILE CA C 58.833 0.078 1 539 117 117 ILE CB C 36.370 0.059 1 540 117 117 ILE N N 119.303 0.033 1 541 118 118 VAL H H 8.708 0.003 1 542 118 118 VAL C C 174.337 0.012 1 543 118 118 VAL CA C 60.923 0.051 1 544 118 118 VAL CB C 30.667 0.058 1 545 118 118 VAL N N 130.819 0.065 1 546 119 119 GLY H H 7.899 0.002 1 547 119 119 GLY C C 174.354 0.016 1 548 119 119 GLY CA C 44.054 0.029 1 549 119 119 GLY N N 112.883 0.031 1 550 120 120 SER H H 7.552 0.005 1 551 120 120 SER C C 172.642 0.011 1 552 120 120 SER CA C 58.242 0.055 1 553 120 120 SER CB C 64.268 0.115 1 554 120 120 SER N N 116.292 0.043 1 555 121 121 ALA H H 7.912 0.003 1 556 121 121 ALA C C 178.984 0.017 1 557 121 121 ALA CA C 51.919 0.034 1 558 121 121 ALA CB C 18.189 0.048 1 559 121 121 ALA N N 123.427 0.033 1 560 122 122 LEU H H 8.256 0.003 1 561 122 122 LEU C C 176.224 0.009 1 562 122 122 LEU CA C 54.403 0.069 1 563 122 122 LEU CB C 40.518 0.054 1 564 122 122 LEU N N 118.784 0.071 1 565 123 123 GLU H H 7.225 0.005 1 566 123 123 GLU C C 177.223 0.011 1 567 123 123 GLU CA C 57.455 0.044 1 568 123 123 GLU CB C 28.217 0.041 1 569 123 123 GLU N N 118.249 0.050 1 570 124 124 ASN H H 8.430 0.007 1 571 124 124 ASN C C 174.401 0.013 1 572 124 124 ASN CA C 54.911 0.021 1 573 124 124 ASN CB C 36.918 0.076 1 574 124 124 ASN N N 117.901 0.047 1 575 125 125 LYS H H 8.001 0.005 1 576 125 125 LYS C C 175.138 0.014 1 577 125 125 LYS CA C 54.130 0.052 1 578 125 125 LYS CB C 33.979 0.045 1 579 125 125 LYS N N 118.024 0.037 1 580 126 126 ARG H H 9.484 0.006 1 581 126 126 ARG C C 177.546 0.011 1 582 126 126 ARG CA C 55.030 0.068 1 583 126 126 ARG CB C 30.704 0.071 1 584 126 126 ARG N N 120.864 0.034 1 585 127 127 ILE H H 9.636 0.006 1 586 127 127 ILE C C 174.061 0.019 1 587 127 127 ILE CA C 59.438 0.044 1 588 127 127 ILE CB C 39.029 0.106 1 589 127 127 ILE N N 128.089 0.049 1 590 128 128 LEU H H 8.861 0.004 1 591 128 128 LEU C C 174.973 0.013 1 592 128 128 LEU CA C 52.306 0.013 1 593 128 128 LEU CB C 44.251 0.050 1 594 128 128 LEU N N 131.224 0.036 1 595 129 129 ILE H H 8.090 0.002 1 596 129 129 ILE C C 174.529 0.018 1 597 129 129 ILE CA C 61.159 0.021 1 598 129 129 ILE CB C 38.940 0.025 1 599 129 129 ILE N N 127.940 0.044 1 600 130 130 ILE H H 8.841 0.003 1 601 130 130 ILE C C 170.563 0.007 1 602 130 130 ILE CA C 57.759 0.043 1 603 130 130 ILE CB C 40.792 0.055 1 604 130 130 ILE N N 129.468 0.062 1 605 131 131 ASP H H 8.301 0.008 1 606 131 131 ASP C C 176.410 0.030 1 607 131 131 ASP CA C 52.021 0.030 1 608 131 131 ASP CB C 44.236 0.111 1 609 131 131 ASP N N 122.253 0.042 1 610 132 132 ASP H H 9.923 0.010 1 611 132 132 ASP C C 175.945 0.018 1 612 132 132 ASP CA C 56.179 0.081 1 613 132 132 ASP CB C 41.411 0.088 1 614 132 132 ASP N N 121.602 0.029 1 615 133 133 VAL H H 8.988 0.019 1 616 133 133 VAL C C 174.437 0.018 1 617 133 133 VAL CA C 60.244 0.067 1 618 133 133 VAL CB C 35.474 0.038 1 619 133 133 VAL N N 118.227 0.047 1 620 134 134 MET H H 8.015 0.010 1 621 134 134 MET C C 175.538 0.012 1 622 134 134 MET CA C 55.267 0.037 1 623 134 134 MET CB C 33.440 0.033 1 624 134 134 MET N N 121.445 0.034 1 625 138 138 THR C C 176.374 0.004 1 626 138 138 THR CA C 61.908 0.008 1 627 138 138 THR CB C 68.642 0.050 1 628 139 139 ALA H H 7.642 0.011 1 629 139 139 ALA C C 179.657 0.013 1 630 139 139 ALA CA C 55.338 0.027 1 631 139 139 ALA CB C 19.230 0.085 1 632 139 139 ALA N N 124.120 0.057 1 633 140 140 ILE H H 8.353 0.005 1 634 140 140 ILE C C 175.796 0.019 1 635 140 140 ILE CA C 60.537 0.069 1 636 140 140 ILE CB C 38.154 0.024 1 637 140 140 ILE N N 112.815 0.047 1 638 141 141 ASN H H 7.849 0.005 1 639 141 141 ASN C C 177.510 0.060 1 640 141 141 ASN CA C 56.473 0.056 1 641 141 141 ASN CB C 37.106 0.092 1 642 141 141 ASN N N 121.920 0.059 1 643 142 142 GLU H H 8.462 0.002 1 644 142 142 GLU C C 178.662 0.062 1 645 142 142 GLU CA C 59.311 0.045 1 646 142 142 GLU CB C 28.717 0.098 1 647 142 142 GLU N N 120.153 0.039 1 648 143 143 ALA H H 8.053 0.004 1 649 143 143 ALA C C 178.570 0.022 1 650 143 143 ALA CA C 54.878 0.065 1 651 143 143 ALA CB C 17.248 0.018 1 652 143 143 ALA N N 121.142 0.041 1 653 144 144 PHE H H 8.593 0.006 1 654 144 144 PHE C C 178.641 0.052 1 655 144 144 PHE CA C 62.306 0.062 1 656 144 144 PHE CB C 38.657 0.046 1 657 144 144 PHE N N 116.923 0.037 1 658 145 145 GLU H H 8.051 0.005 1 659 145 145 GLU C C 178.634 0.050 1 660 145 145 GLU CA C 59.364 0.051 1 661 145 145 GLU CB C 28.728 0.057 1 662 145 145 GLU N N 121.092 0.036 1 663 146 146 ILE H H 7.940 0.007 1 664 146 146 ILE C C 179.201 0.022 1 665 146 146 ILE CA C 64.886 0.048 1 666 146 146 ILE CB C 37.850 0.095 1 667 146 146 ILE N N 120.477 0.054 1 668 147 147 ILE H H 8.039 0.004 1 669 147 147 ILE C C 178.229 0.010 1 670 147 147 ILE CA C 64.722 0.089 1 671 147 147 ILE CB C 36.644 0.073 1 672 147 147 ILE N N 119.948 0.055 1 673 148 148 SER H H 8.264 0.007 1 674 148 148 SER C C 179.549 0.009 1 675 148 148 SER CA C 61.557 0.040 1 676 148 148 SER CB C 62.675 0.050 1 677 148 148 SER N N 116.166 0.067 1 678 149 149 ASN H H 8.400 0.004 1 679 149 149 ASN C C 176.231 0.019 1 680 149 149 ASN CA C 55.610 0.038 1 681 149 149 ASN CB C 37.491 0.071 1 682 149 149 ASN N N 122.770 0.029 1 683 150 150 ALA H H 7.186 0.009 1 684 150 150 ALA C C 175.416 0.012 1 685 150 150 ALA CA C 51.474 0.058 1 686 150 150 ALA CB C 18.428 0.033 1 687 150 150 ALA N N 121.845 0.047 1 688 151 151 LYS H H 7.683 0.006 1 689 151 151 LYS C C 177.522 0.054 1 690 151 151 LYS CA C 57.174 0.061 1 691 151 151 LYS CB C 27.388 0.068 1 692 151 151 LYS N N 109.842 0.030 1 693 152 152 GLY H H 8.109 0.005 1 694 152 152 GLY C C 172.268 0.018 1 695 152 152 GLY CA C 44.488 0.022 1 696 152 152 GLY N N 108.197 0.091 1 697 153 153 GLN H H 8.457 0.004 1 698 153 153 GLN C C 175.118 0.018 1 699 153 153 GLN CA C 53.399 0.037 1 700 153 153 GLN CB C 29.340 0.043 1 701 153 153 GLN N N 120.726 0.045 1 702 154 154 VAL H H 8.915 0.002 1 703 154 154 VAL C C 177.086 0.029 1 704 154 154 VAL CA C 63.499 0.055 1 705 154 154 VAL CB C 30.568 0.028 1 706 154 154 VAL N N 128.740 0.045 1 707 155 155 VAL H H 9.041 0.006 1 708 155 155 VAL C C 175.442 0.005 1 709 155 155 VAL CA C 60.046 0.051 1 710 155 155 VAL CB C 31.940 0.060 1 711 155 155 VAL N N 118.415 0.045 1 712 156 156 GLY H H 7.305 0.005 1 713 156 156 GLY C C 171.013 0.027 1 714 156 156 GLY CA C 45.524 0.017 1 715 156 156 GLY N N 104.689 0.044 1 716 157 157 SER H H 7.976 0.007 1 717 157 157 SER C C 171.583 0.011 1 718 157 157 SER CA C 55.999 0.062 1 719 157 157 SER CB C 66.373 0.099 1 720 157 157 SER N N 114.786 0.053 1 721 158 158 ILE H H 9.002 0.006 1 722 158 158 ILE C C 171.941 0.019 1 723 158 158 ILE CA C 58.030 0.043 1 724 158 158 ILE CB C 40.152 0.054 1 725 158 158 ILE N N 123.407 0.028 1 726 159 159 ILE H H 8.143 0.009 1 727 159 159 ILE C C 175.099 0.034 1 728 159 159 ILE CA C 57.441 0.024 1 729 159 159 ILE CB C 39.770 0.120 1 730 159 159 ILE N N 118.780 0.038 1 731 160 160 ALA H H 8.391 0.009 1 732 160 160 ALA C C 175.709 0.025 1 733 160 160 ALA CA C 54.417 0.050 1 734 160 160 ALA CB C 18.633 0.099 1 735 160 160 ALA N N 121.954 0.050 1 736 161 161 LEU H H 6.537 0.008 1 737 161 161 LEU C C 174.480 0.013 1 738 161 161 LEU CA C 52.108 0.041 1 739 161 161 LEU CB C 44.639 0.052 1 740 161 161 LEU N N 113.439 0.080 1 741 162 162 ASP H H 8.430 0.003 1 742 162 162 ASP C C 176.259 0.008 1 743 162 162 ASP CA C 51.943 0.030 1 744 162 162 ASP CB C 40.196 0.180 1 745 162 162 ASP N N 124.131 0.057 1 746 163 163 ARG H H 8.476 0.005 1 747 163 163 ARG C C 177.860 0.041 1 748 163 163 ARG CA C 58.831 0.043 1 749 163 163 ARG CB C 30.307 0.057 1 750 163 163 ARG N N 124.397 0.045 1 751 164 164 GLN H H 8.911 0.006 1 752 164 164 GLN C C 174.259 0.026 1 753 164 164 GLN CA C 57.330 0.043 1 754 164 164 GLN CB C 28.376 0.016 1 755 164 164 GLN N N 111.382 0.030 1 756 165 165 GLU H H 7.027 0.011 1 757 165 165 GLU C C 177.331 0.010 1 758 165 165 GLU CA C 53.522 0.031 1 759 165 165 GLU CB C 31.918 0.057 1 760 165 165 GLU N N 113.868 0.031 1 761 166 166 VAL H H 8.899 0.003 1 762 166 166 VAL C C 177.341 0.021 1 763 166 166 VAL CA C 62.729 0.048 1 764 166 166 VAL CB C 31.218 0.126 1 765 166 166 VAL N N 121.561 0.036 1 766 167 167 VAL H H 8.457 0.005 1 767 167 167 VAL C C 176.784 0.031 1 768 167 167 VAL CA C 63.469 0.026 1 769 167 167 VAL CB C 31.426 0.082 1 770 167 167 VAL N N 123.482 0.042 1 771 168 168 SER H H 8.177 0.004 1 772 168 168 SER C C 175.160 0.025 1 773 168 168 SER CA C 56.822 0.064 1 774 168 168 SER CB C 64.202 0.085 1 775 168 168 SER N N 115.400 0.048 1 776 169 169 THR C C 174.699 0.005 1 777 169 169 THR CA C 62.491 0.052 1 778 169 169 THR CB C 68.540 0.081 1 779 170 170 ASP H H 8.170 0.005 1 780 170 170 ASP C C 175.843 0.021 1 781 170 170 ASP CA C 54.241 0.059 1 782 170 170 ASP CB C 40.707 0.057 1 783 170 170 ASP N N 120.805 0.052 1 784 171 171 ASP H H 7.542 0.011 1 785 171 171 ASP C C 177.032 0.016 1 786 171 171 ASP CA C 53.932 0.061 1 787 171 171 ASP CB C 41.146 0.071 1 788 171 171 ASP N N 119.728 0.033 1 789 172 172 LYS H H 8.591 0.005 1 790 172 172 LYS C C 177.487 0.022 1 791 172 172 LYS CA C 57.359 0.039 1 792 172 172 LYS CB C 31.273 0.054 1 793 172 172 LYS N N 123.709 0.036 1 794 173 173 GLU H H 8.302 0.003 1 795 173 173 GLU C C 177.507 0.019 1 796 173 173 GLU CA C 56.774 0.055 1 797 173 173 GLU CB C 29.476 0.054 1 798 173 173 GLU N N 119.183 0.029 1 799 174 174 GLY H H 7.972 0.008 1 800 174 174 GLY C C 174.125 0.017 1 801 174 174 GLY CA C 46.534 0.021 1 802 174 174 GLY N N 107.972 0.036 1 803 175 175 LEU H H 7.989 0.002 1 804 175 175 LEU C C 178.552 0.021 1 805 175 175 LEU CA C 54.090 0.038 1 806 175 175 LEU CB C 42.790 0.055 1 807 175 175 LEU N N 119.280 0.055 1 808 176 176 SER H H 8.856 0.006 1 809 176 176 SER C C 176.529 0.011 1 810 176 176 SER CA C 56.240 0.053 1 811 176 176 SER CB C 64.578 0.093 1 812 176 176 SER N N 116.845 0.039 1 813 177 177 ALA C C 179.438 0.004 1 814 177 177 ALA CA C 56.511 0.031 1 815 177 177 ALA CB C 17.372 0.050 1 816 178 178 THR H H 8.801 0.007 1 817 178 178 THR C C 177.807 0.036 1 818 178 178 THR CA C 64.941 0.076 1 819 178 178 THR CB C 67.397 0.049 1 820 178 178 THR N N 110.120 0.055 1 821 179 179 GLN H H 7.653 0.008 1 822 179 179 GLN C C 179.288 0.020 1 823 179 179 GLN CA C 58.166 0.079 1 824 179 179 GLN CB C 28.517 0.015 1 825 179 179 GLN N N 121.736 0.035 1 826 180 180 THR H H 8.301 0.009 1 827 180 180 THR C C 176.432 0.016 1 828 180 180 THR CA C 67.212 0.019 1 829 180 180 THR CB C 68.405 0.016 1 830 180 180 THR N N 117.416 0.027 1 831 181 181 VAL H H 7.834 0.007 1 832 181 181 VAL C C 177.555 0.009 1 833 181 181 VAL CA C 66.924 0.066 1 834 181 181 VAL CB C 31.231 0.069 1 835 181 181 VAL N N 123.565 0.082 1 836 182 182 SER H H 8.252 0.006 1 837 182 182 SER C C 178.087 0.008 1 838 182 182 SER CA C 61.284 0.055 1 839 182 182 SER CB C 63.693 0.094 1 840 182 182 SER N N 114.596 0.065 1 841 183 183 LYS H H 8.098 0.008 1 842 183 183 LYS C C 178.539 0.019 1 843 183 183 LYS CA C 58.521 0.071 1 844 183 183 LYS CB C 31.868 0.093 1 845 183 183 LYS N N 119.755 0.059 1 846 184 184 LYS H H 8.042 0.009 1 847 184 184 LYS C C 178.324 0.015 1 848 184 184 LYS CA C 58.739 0.066 1 849 184 184 LYS CB C 31.900 0.089 1 850 184 184 LYS N N 119.490 0.072 1 851 185 185 TYR H H 7.779 0.008 1 852 185 185 TYR C C 176.291 0.033 1 853 185 185 TYR CA C 57.822 0.038 1 854 185 185 TYR CB C 39.178 0.048 1 855 185 185 TYR N N 112.645 0.043 1 856 186 186 GLY H H 7.994 0.004 1 857 186 186 GLY C C 174.902 0.021 1 858 186 186 GLY CA C 47.021 0.013 1 859 186 186 GLY N N 111.629 0.046 1 860 187 187 ILE H H 7.022 0.006 1 861 187 187 ILE C C 172.763 0.002 1 862 187 187 ILE CA C 56.580 0.060 1 863 187 187 ILE CB C 39.528 0.027 1 864 187 187 ILE N N 109.660 0.030 1 865 188 188 PRO C C 176.039 0.008 1 866 188 188 PRO CA C 62.087 0.027 1 867 188 188 PRO CB C 31.550 0.067 1 868 189 189 VAL H H 8.076 0.001 1 869 189 189 VAL C C 175.773 0.021 1 870 189 189 VAL CA C 60.986 0.055 1 871 189 189 VAL CB C 31.759 0.027 1 872 189 189 VAL N N 120.839 0.035 1 873 190 190 LEU H H 9.159 0.002 1 874 190 190 LEU C C 175.437 0.047 1 875 190 190 LEU CA C 53.234 0.044 1 876 190 190 LEU CB C 42.950 0.042 1 877 190 190 LEU N N 129.436 0.026 1 878 191 191 SER H H 8.167 0.003 1 879 191 191 SER C C 174.885 0.017 1 880 191 191 SER CA C 55.189 0.107 1 881 191 191 SER CB C 65.024 0.078 1 882 191 191 SER N N 111.128 0.037 1 883 192 192 ILE H H 7.573 0.008 1 884 192 192 ILE C C 176.149 0.021 1 885 192 192 ILE CA C 66.256 0.028 1 886 192 192 ILE CB C 36.105 0.051 1 887 192 192 ILE N N 121.892 0.039 1 888 193 193 VAL H H 7.487 0.009 1 889 193 193 VAL C C 174.459 0.012 1 890 193 193 VAL CA C 58.904 0.055 1 891 193 193 VAL CB C 37.041 0.054 1 892 193 193 VAL N N 106.080 0.040 1 893 194 194 SER H H 10.368 0.004 1 894 194 194 SER C C 175.775 0.078 1 895 194 194 SER CA C 56.341 0.057 1 896 194 194 SER CB C 65.853 0.171 1 897 194 194 SER N N 118.650 0.057 1 898 195 195 LEU H H 7.425 0.010 1 899 195 195 LEU C C 179.065 0.009 1 900 195 195 LEU CA C 58.507 0.048 1 901 195 195 LEU CB C 40.214 0.091 1 902 195 195 LEU N N 124.454 0.080 1 903 196 196 ILE H H 8.488 0.004 1 904 196 196 ILE C C 178.183 0.014 1 905 196 196 ILE CA C 62.421 0.166 1 906 196 196 ILE CB C 36.616 0.065 1 907 196 196 ILE N N 115.597 0.027 1 908 197 197 HIS H H 7.484 0.009 1 909 197 197 HIS C C 177.462 0.010 1 910 197 197 HIS CA C 61.727 0.044 1 911 197 197 HIS CB C 30.363 0.059 1 912 197 197 HIS N N 123.217 0.045 1 913 198 198 ILE H H 7.440 0.008 1 914 198 198 ILE C C 177.084 0.015 1 915 198 198 ILE CA C 66.014 0.057 1 916 198 198 ILE CB C 36.464 0.136 1 917 198 198 ILE N N 118.999 0.030 1 918 199 199 ILE H H 7.827 0.006 1 919 199 199 ILE C C 177.280 0.039 1 920 199 199 ILE CA C 65.493 0.052 1 921 199 199 ILE CB C 37.821 0.099 1 922 199 199 ILE N N 116.755 0.074 1 923 200 200 THR H H 7.541 0.007 1 924 200 200 THR C C 176.544 0.008 1 925 200 200 THR CA C 66.412 0.060 1 926 200 200 THR CB C 68.719 0.094 1 927 200 200 THR N N 114.822 0.097 1 928 201 201 TYR H H 8.329 0.004 1 929 201 201 TYR C C 176.417 0.009 1 930 201 201 TYR CA C 60.600 0.042 1 931 201 201 TYR CB C 39.109 0.048 1 932 201 201 TYR N N 122.303 0.031 1 933 202 202 LEU H H 7.691 0.007 1 934 202 202 LEU C C 177.006 0.027 1 935 202 202 LEU CA C 54.753 0.060 1 936 202 202 LEU CB C 40.484 0.066 1 937 202 202 LEU N N 114.206 0.042 1 938 203 203 GLU H H 7.060 0.009 1 939 203 203 GLU C C 177.338 0.040 1 940 203 203 GLU CA C 58.410 0.091 1 941 203 203 GLU CB C 28.203 0.042 1 942 203 203 GLU N N 121.346 0.040 1 943 204 204 GLY H H 8.945 0.006 1 944 204 204 GLY C C 174.852 0.032 1 945 204 204 GLY CA C 45.267 0.064 1 946 204 204 GLY N N 114.213 0.074 1 947 205 205 ARG H H 8.244 0.004 1 948 205 205 ARG C C 176.177 0.005 1 949 205 205 ARG CA C 56.123 0.054 1 950 205 205 ARG CB C 30.872 0.066 1 951 205 205 ARG N N 119.467 0.042 1 952 206 206 ILE H H 7.114 0.008 1 953 206 206 ILE C C 176.257 0.018 1 954 206 206 ILE CA C 59.582 0.066 1 955 206 206 ILE CB C 39.125 0.065 1 956 206 206 ILE N N 113.653 0.043 1 957 207 207 THR H H 8.603 0.004 1 958 207 207 THR C C 175.261 0.007 1 959 207 207 THR CA C 61.420 0.050 1 960 207 207 THR CB C 70.529 0.048 1 961 207 207 THR N N 114.346 0.046 1 962 208 208 ALA H H 8.811 0.002 1 963 208 208 ALA C C 180.961 0.015 1 964 208 208 ALA CA C 54.977 0.046 1 965 208 208 ALA CB C 17.323 0.025 1 966 208 208 ALA N N 123.704 0.028 1 967 209 209 GLU H H 8.652 0.003 1 968 209 209 GLU C C 179.372 0.022 1 969 209 209 GLU CA C 59.507 0.038 1 970 209 209 GLU CB C 28.392 0.098 1 971 209 209 GLU N N 118.816 0.040 1 972 210 210 GLU H H 7.756 0.004 1 973 210 210 GLU C C 179.466 0.020 1 974 210 210 GLU CA C 58.992 0.072 1 975 210 210 GLU CB C 28.914 0.085 1 976 210 210 GLU N N 121.137 0.032 1 977 211 211 LYS H H 8.505 0.002 1 978 211 211 LYS C C 178.783 0.015 1 979 211 211 LYS CA C 59.867 0.048 1 980 211 211 LYS CB C 31.296 0.089 1 981 211 211 LYS N N 120.952 0.042 1 982 212 212 SER H H 8.314 0.004 1 983 212 212 SER C C 177.161 0.013 1 984 212 212 SER CA C 61.245 0.048 1 985 212 212 SER CB C 62.545 0.115 1 986 212 212 SER N N 114.707 0.045 1 987 213 213 LYS H H 7.743 0.006 1 988 213 213 LYS C C 180.568 0.032 1 989 213 213 LYS CA C 59.306 0.035 1 990 213 213 LYS CB C 31.788 0.052 1 991 213 213 LYS N N 120.692 0.055 1 992 214 214 ILE H H 7.831 0.011 1 993 214 214 ILE C C 177.476 0.022 1 994 214 214 ILE CA C 65.251 0.051 1 995 214 214 ILE CB C 37.221 0.056 1 996 214 214 ILE N N 120.777 0.074 1 997 215 215 GLU H H 8.406 0.008 1 998 215 215 GLU C C 179.758 0.033 1 999 215 215 GLU CA C 59.962 0.080 1 1000 215 215 GLU CB C 28.895 0.034 1 1001 215 215 GLU N N 120.869 0.042 1 1002 216 216 GLN H H 8.615 0.002 1 1003 216 216 GLN C C 178.486 0.007 1 1004 216 216 GLN CA C 58.399 0.025 1 1005 216 216 GLN CB C 27.818 0.084 1 1006 216 216 GLN N N 118.991 0.042 1 1007 217 217 TYR H H 7.851 0.010 1 1008 217 217 TYR C C 178.062 0.036 1 1009 217 217 TYR CA C 62.125 0.061 1 1010 217 217 TYR CB C 38.684 0.080 1 1011 217 217 TYR N N 123.393 0.040 1 1012 218 218 LEU H H 8.301 0.011 1 1013 218 218 LEU C C 179.906 0.018 1 1014 218 218 LEU CA C 57.339 0.040 1 1015 218 218 LEU CB C 40.546 0.082 1 1016 218 218 LEU N N 120.148 0.065 1 1017 219 219 GLN H H 8.229 0.005 1 1018 219 219 GLN C C 177.677 0.038 1 1019 219 219 GLN CA C 58.422 0.031 1 1020 219 219 GLN CB C 27.621 0.046 1 1021 219 219 GLN N N 119.434 0.063 1 1022 220 220 THR H H 7.736 0.003 1 1023 220 220 THR C C 175.478 0.013 1 1024 220 220 THR CA C 65.305 0.141 1 1025 220 220 THR CB C 69.320 0.032 1 1026 220 220 THR N N 114.735 0.049 1 1027 221 221 TYR H H 8.246 0.007 1 1028 221 221 TYR C C 175.733 0.044 1 1029 221 221 TYR CA C 57.803 0.068 1 1030 221 221 TYR CB C 38.831 0.058 1 1031 221 221 TYR N N 116.514 0.042 1 1032 222 222 GLY H H 8.059 0.005 1 1033 222 222 GLY C C 173.800 0.014 1 1034 222 222 GLY CA C 45.617 0.023 1 1035 222 222 GLY N N 109.669 0.035 1 1036 223 223 ALA H H 8.133 0.004 1 1037 223 223 ALA C C 177.371 0.016 1 1038 223 223 ALA CA C 51.024 0.047 1 1039 223 223 ALA CB C 19.463 0.043 1 1040 223 223 ALA N N 125.837 0.025 1 1041 224 224 SER H H 8.671 0.005 1 1042 224 224 SER C C 175.013 0.010 1 1043 224 224 SER CA C 58.508 0.058 1 1044 224 224 SER CB C 63.483 0.070 1 1045 224 224 SER N N 117.444 0.060 1 1046 225 225 ALA H H 8.442 0.004 1 1047 225 225 ALA C C 177.973 0.019 1 1048 225 225 ALA CA C 52.502 0.039 1 1049 225 225 ALA CB C 18.565 0.031 1 1050 225 225 ALA N N 126.341 0.058 1 1051 226 226 GLU H H 8.229 0.005 1 1052 226 226 GLU C C 176.348 0.019 1 1053 226 226 GLU CA C 56.526 0.071 1 1054 226 226 GLU CB C 29.307 0.046 1 1055 226 226 GLU N N 118.866 0.073 1 1056 227 227 ASN H H 8.193 0.002 1 1057 227 227 ASN C C 175.020 0.012 1 1058 227 227 ASN CA C 53.158 0.042 1 1059 227 227 ASN CB C 38.117 0.058 1 1060 227 227 ASN N N 118.717 0.057 1 1061 228 228 LEU H H 7.953 0.004 1 1062 228 228 LEU C C 176.698 0.016 1 1063 228 228 LEU CA C 54.920 0.053 1 1064 228 228 LEU CB C 41.306 0.055 1 1065 228 228 LEU N N 122.084 0.027 1 1066 229 229 TYR H H 7.829 0.003 1 1067 229 229 TYR C C 175.250 0.012 1 1068 229 229 TYR CA C 57.562 0.033 1 1069 229 229 TYR CB C 38.143 0.059 1 1070 229 229 TYR N N 119.343 0.038 1 1071 230 230 PHE H H 7.880 0.001 1 1072 230 230 PHE C C 174.582 0.013 1 1073 230 230 PHE CA C 57.276 0.048 1 1074 230 230 PHE CB C 38.915 0.061 1 1075 230 230 PHE N N 120.972 0.022 1 1076 231 231 GLN H H 7.678 0.002 1 1077 231 231 GLN C C 180.401 0.013 1 1078 231 231 GLN CA C 57.129 0.039 1 1079 231 231 GLN CB C 29.793 0.044 1 1080 231 231 GLN N N 126.183 0.020 1 stop_ save_