data_27774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PhDim1 ; _BMRB_accession_number 27774 _BMRB_flat_file_name bmr27774.str _Entry_type original _Submission_date 2019-02-04 _Accession_date 2019-02-04 _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 Kaiser Marco . . 2 Hacker Carolin . . 3 Durchardt-Ferner Elke . . 4 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 230 "13C chemical shifts" 733 "15N chemical shifts" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-28 original BMRB . stop_ _Original_release_date 2019-02-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N backbone NMR resonance assignments for the rRNA methyltransferase Dim1 from the hyperthermophilic archaeon Pyrococcus horikoshii ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31069720 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kaiser Marco . . 2 Hacker Carolin . . 3 Durchardt-Ferner Elke . . 4 Woehnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 309 _Page_last 314 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PhDim1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PhDim1 $Pyrococcus_horikoshii_Dim1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pyrococcus_horikoshii_Dim1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pyrococcus_horikoshii_Dim1 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 268 _Mol_residue_sequence ; MRDRLFFLLSKYGIRPRDSI GQHFLIIEDVIEKAIETANV NENDVILEVGPGLGFLTDEL AKRAKKVYTIEIDQKIIEIL KKEYSWNNVKIIQGDAVRVE WPKFNKVVSNIPYKISSPFT FKLLKTDFERAVVMYQLEFA LRMVAKPGSRNYSRLSLMAQ ALGNVEIVMKIGKGAFYPRP KVDSALVLIEPRKDKIVLNE NLVKALFQHRRKTVPRALKD SIHMLGVSKDEIRGIINNVP HSNKRVFQLYPEEVKDIEEY LKKHGIIS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 ASP 4 ARG 5 LEU 6 PHE 7 PHE 8 LEU 9 LEU 10 SER 11 LYS 12 TYR 13 GLY 14 ILE 15 ARG 16 PRO 17 ARG 18 ASP 19 SER 20 ILE 21 GLY 22 GLN 23 HIS 24 PHE 25 LEU 26 ILE 27 ILE 28 GLU 29 ASP 30 VAL 31 ILE 32 GLU 33 LYS 34 ALA 35 ILE 36 GLU 37 THR 38 ALA 39 ASN 40 VAL 41 ASN 42 GLU 43 ASN 44 ASP 45 VAL 46 ILE 47 LEU 48 GLU 49 VAL 50 GLY 51 PRO 52 GLY 53 LEU 54 GLY 55 PHE 56 LEU 57 THR 58 ASP 59 GLU 60 LEU 61 ALA 62 LYS 63 ARG 64 ALA 65 LYS 66 LYS 67 VAL 68 TYR 69 THR 70 ILE 71 GLU 72 ILE 73 ASP 74 GLN 75 LYS 76 ILE 77 ILE 78 GLU 79 ILE 80 LEU 81 LYS 82 LYS 83 GLU 84 TYR 85 SER 86 TRP 87 ASN 88 ASN 89 VAL 90 LYS 91 ILE 92 ILE 93 GLN 94 GLY 95 ASP 96 ALA 97 VAL 98 ARG 99 VAL 100 GLU 101 TRP 102 PRO 103 LYS 104 PHE 105 ASN 106 LYS 107 VAL 108 VAL 109 SER 110 ASN 111 ILE 112 PRO 113 TYR 114 LYS 115 ILE 116 SER 117 SER 118 PRO 119 PHE 120 THR 121 PHE 122 LYS 123 LEU 124 LEU 125 LYS 126 THR 127 ASP 128 PHE 129 GLU 130 ARG 131 ALA 132 VAL 133 VAL 134 MET 135 TYR 136 GLN 137 LEU 138 GLU 139 PHE 140 ALA 141 LEU 142 ARG 143 MET 144 VAL 145 ALA 146 LYS 147 PRO 148 GLY 149 SER 150 ARG 151 ASN 152 TYR 153 SER 154 ARG 155 LEU 156 SER 157 LEU 158 MET 159 ALA 160 GLN 161 ALA 162 LEU 163 GLY 164 ASN 165 VAL 166 GLU 167 ILE 168 VAL 169 MET 170 LYS 171 ILE 172 GLY 173 LYS 174 GLY 175 ALA 176 PHE 177 TYR 178 PRO 179 ARG 180 PRO 181 LYS 182 VAL 183 ASP 184 SER 185 ALA 186 LEU 187 VAL 188 LEU 189 ILE 190 GLU 191 PRO 192 ARG 193 LYS 194 ASP 195 LYS 196 ILE 197 VAL 198 LEU 199 ASN 200 GLU 201 ASN 202 LEU 203 VAL 204 LYS 205 ALA 206 LEU 207 PHE 208 GLN 209 HIS 210 ARG 211 ARG 212 LYS 213 THR 214 VAL 215 PRO 216 ARG 217 ALA 218 LEU 219 LYS 220 ASP 221 SER 222 ILE 223 HIS 224 MET 225 LEU 226 GLY 227 VAL 228 SER 229 LYS 230 ASP 231 GLU 232 ILE 233 ARG 234 GLY 235 ILE 236 ILE 237 ASN 238 ASN 239 VAL 240 PRO 241 HIS 242 SER 243 ASN 244 LYS 245 ARG 246 VAL 247 PHE 248 GLN 249 LEU 250 TYR 251 PRO 252 GLU 253 GLU 254 VAL 255 LYS 256 ASP 257 ILE 258 GLU 259 GLU 260 TYR 261 LEU 262 LYS 263 LYS 264 HIS 265 GLY 266 ILE 267 ILE 268 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pyrococcus_horikoshii_Dim1 'Pyrococcus horikoshii' 53953 Archaea . Pyrococcus horikoshii 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 $Pyrococcus_horikoshii_Dim1 'recombinant technology' . Escherichia coli . pET_11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15NValPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 305 uM '[U-100% 13C; U-100% 15N; U-100% 2H]' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_1H15N13CPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 400 uM '[U-100% 13C; U-100% 15N]' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_1H15N13C_Thr_PhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 210 uM '[U-100% 13C; U-100% 15N]-Thr' stop_ save_ save_15NArg13CProPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 200 uM '[U-100% 15N]-Arg [U-100% 13C]-Pro' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NGlyPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 200 uM '[U-100% 15N]-Gly' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NIlePhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 350 uM '[U-100% 15N]-Ile' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NPhePhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 210 uM '[U-100% 15N]-Phe' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NTyrPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 210 uM '[U-100% 15N]-Arg [U-100% 13C]-Pro' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NLeuPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 280 uM '[U-100% 15N]-Leu' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_15NLys13CProPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 300 uM '[U-100% 15N]-Lys [U-100% 13C]-Pro' 'bis-tris ph 6.5' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_2H15N13CPhDim1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pyrococcus_horikoshii_Dim1 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'Pyrococcus horikoshii Dim1' 210 uM '[U-100% 13C; U-100% 15N; U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' stop_ _Details . save_ save_Cara _Saveframe_category software _Name Cara _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 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 Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 599 _Details . save_ ############################# # NMR applied experiments # ############################# save_trhncocagp3d_1 _Saveframe_category NMR_applied_experiment _Experiment_name trhncocagp3d _Sample_label $1H15N13CPhDim1 save_ save_b_trhncagp3d.2_2 _Saveframe_category NMR_applied_experiment _Experiment_name b_trhncagp3d.2 _Sample_label $1H15N13CPhDim1 save_ save_trosyf3gpphsi19.2_3 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $1H15N13C_Thr_PhDim1 save_ save_trosyf3gpphsi19.2_4 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NArg13CProPhDim1 save_ save_trosyf3gpphsi19.2_5 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NGlyPhDim1 save_ save_trhncogp2h3d_6 _Saveframe_category NMR_applied_experiment _Experiment_name trhncogp2h3d _Sample_label $15NArg13CProPhDim1 save_ save_trosyf3gpphsi19.2_7 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $2H15N13CPhDim1 save_ save_trhncocacbgp2h3d_8 _Saveframe_category NMR_applied_experiment _Experiment_name trhncocacbgp2h3d _Sample_label $2H15N13CPhDim1 save_ save_trhncocagp2h3d_9 _Saveframe_category NMR_applied_experiment _Experiment_name trhncocagp2h3d _Sample_label $2H15N13CPhDim1 save_ save_trhncacogp3d_10 _Saveframe_category NMR_applied_experiment _Experiment_name trhncacogp3d _Sample_label $1H15N13CPhDim1 save_ save_trosyf3gpphsi19.2_11 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NIlePhDim1 save_ save_trosyf3gpphsi19.2_12 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NPhePhDim1 save_ save_trosyf3gpphsi19.2_13 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NTyrPhDim1 save_ save_trosyf3gpphsi19.2_14 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NLeuPhDim1 save_ save_trosyf3gpphsi19.2_15 _Saveframe_category NMR_applied_experiment _Experiment_name trosyf3gpphsi19.2 _Sample_label $15NValPhDim1 save_ save_trhncacbgp2h3d_16 _Saveframe_category NMR_applied_experiment _Experiment_name trhncacbgp2h3d _Sample_label $2H15N13CPhDim1 save_ save_trhncogp2h3d_17 _Saveframe_category NMR_applied_experiment _Experiment_name trhncogp2h3d _Sample_label $2H15N13CPhDim1 save_ save_trhncagp2h3d2_18 _Saveframe_category NMR_applied_experiment _Experiment_name trhncagp2h3d2 _Sample_label $2H15N13CPhDim1 save_ save_b_trosyetf3gpsi.2_19 _Saveframe_category NMR_applied_experiment _Experiment_name b_trosyetf3gpsi.2 _Sample_label $15NLys13CProPhDim1 save_ save_b_trhncogp3d.2_20 _Saveframe_category NMR_applied_experiment _Experiment_name b_trhncogp3d.2 _Sample_label $15NLys13CProPhDim1 save_ save_trhncacogp2h3d_21 _Saveframe_category NMR_applied_experiment _Experiment_name trhncacogp2h3d _Sample_label $2H15N13CPhDim1 save_ save_trhncagp2h3d2_22 _Saveframe_category NMR_applied_experiment _Experiment_name trhncagp2h3d2 _Sample_label $2H15N13CPhDim1 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 315 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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_PhDim1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label trhncocagp3d b_trhncagp3d.2 trosyf3gpphsi19.2 trhncogp2h3d trhncocacbgp2h3d trhncocagp2h3d trhncacogp3d trhncacbgp2h3d trhncagp2h3d2 b_trosyetf3gpsi.2 b_trhncogp3d.2 trhncacogp2h3d stop_ loop_ _Sample_label $1H15N13CPhDim1 $1H15N13C_Thr_PhDim1 $15NArg13CProPhDim1 $15NGlyPhDim1 $2H15N13CPhDim1 $15NIlePhDim1 $15NPhePhDim1 $15NTyrPhDim1 $15NLeuPhDim1 $15NValPhDim1 $15NLys13CProPhDim1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name PhDim1 _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 ARG C C 173.063 0.3 1 2 2 2 ARG CA C 58.060 0.3 1 3 2 2 ARG CB C 29.648 0.3 1 4 3 3 ASP H H 8.494 0.020 1 5 3 3 ASP C C 174.708 0.3 1 6 3 3 ASP CA C 56.356 0.3 1 7 3 3 ASP CB C 39.337 0.3 1 8 3 3 ASP N N 119.041 0.3 1 9 4 4 ARG H H 7.929 0.020 1 10 4 4 ARG C C 174.261 0.3 1 11 4 4 ARG CA C 58.057 0.3 1 12 4 4 ARG CB C 29.244 0.3 1 13 4 4 ARG N N 121.278 0.3 1 14 5 5 LEU H H 8.006 0.020 1 15 5 5 LEU C C 173.920 0.3 1 16 5 5 LEU CA C 58.367 0.3 1 17 5 5 LEU CB C 40.485 0.3 1 18 5 5 LEU N N 118.787 0.3 1 19 6 6 PHE H H 8.058 0.020 1 20 6 6 PHE C C 175.362 0.3 1 21 6 6 PHE CA C 60.903 0.3 1 22 6 6 PHE CB C 37.052 0.3 1 23 6 6 PHE N N 116.192 0.3 1 24 7 7 PHE H H 8.232 0.020 1 25 7 7 PHE C C 174.011 0.3 1 26 7 7 PHE CA C 60.860 0.3 1 27 7 7 PHE CB C 38.154 0.3 1 28 7 7 PHE N N 120.873 0.3 1 29 8 8 LEU H H 8.183 0.020 1 30 8 8 LEU C C 175.706 0.3 1 31 8 8 LEU CA C 57.727 0.3 1 32 8 8 LEU CB C 42.161 0.3 1 33 8 8 LEU N N 119.659 0.3 1 34 9 9 LEU H H 8.502 0.020 1 35 9 9 LEU C C 176.447 0.3 1 36 9 9 LEU CA C 58.088 0.3 1 37 9 9 LEU CB C 39.798 0.3 1 38 9 9 LEU N N 116.749 0.3 1 39 10 10 SER H H 7.682 0.020 1 40 10 10 SER C C 176.438 0.3 1 41 10 10 SER CA C 60.408 0.3 1 42 10 10 SER CB C 62.326 0.3 1 43 10 10 SER N N 111.548 0.3 1 44 11 11 LYS H H 8.140 0.020 1 45 11 11 LYS C C 174.339 0.3 1 46 11 11 LYS CA C 58.738 0.3 1 47 11 11 LYS CB C 31.550 0.3 1 48 11 11 LYS N N 123.130 0.3 1 49 12 12 TYR H H 7.514 0.020 1 50 12 12 TYR C C 172.277 0.3 1 51 12 12 TYR CA C 58.397 0.3 1 52 12 12 TYR CB C 38.116 0.3 1 53 12 12 TYR N N 111.871 0.3 1 54 13 13 GLY H H 7.600 0.020 1 55 13 13 GLY C C 171.161 0.3 1 56 13 13 GLY CA C 46.926 0.3 1 57 13 13 GLY N N 110.026 0.3 1 58 14 14 ILE H H 7.858 0.020 1 59 14 14 ILE C C 171.688 0.3 1 60 14 14 ILE CA C 60.099 0.3 1 61 14 14 ILE CB C 37.659 0.3 1 62 14 14 ILE N N 118.342 0.3 1 63 15 15 ARG H H 8.605 0.020 1 64 15 15 ARG C C 171.471 0.3 1 65 15 15 ARG CA C 52.936 0.3 1 66 15 15 ARG CB C 29.409 0.3 1 67 15 15 ARG N N 126.809 0.3 1 68 19 19 SER C C 171.076 0.3 1 69 19 19 SER CA C 58.119 0.3 1 70 19 19 SER CB C 62.790 0.3 1 71 20 20 ILE H H 7.649 0.020 1 72 20 20 ILE C C 173.393 0.3 1 73 20 20 ILE CA C 61.367 0.3 1 74 20 20 ILE CB C 37.370 0.3 1 75 20 20 ILE N N 119.349 0.3 1 76 21 21 GLY H H 8.316 0.020 1 77 21 21 GLY C C 170.199 0.3 1 78 21 21 GLY CA C 45.560 0.3 1 79 21 21 GLY N N 111.722 0.3 1 80 22 22 GLN H H 7.378 0.020 1 81 22 22 GLN C C 169.905 0.3 1 82 22 22 GLN CA C 54.608 0.3 1 83 22 22 GLN CB C 29.269 0.3 1 84 22 22 GLN N N 118.999 0.3 1 85 23 23 HIS H H 7.791 0.020 1 86 23 23 HIS C C 170.525 0.3 1 87 23 23 HIS CA C 54.587 0.3 1 88 23 23 HIS CB C 30.279 0.3 1 89 23 23 HIS N N 119.699 0.3 1 90 24 24 PHE H H 8.953 0.020 1 91 24 24 PHE C C 172.261 0.3 1 92 24 24 PHE CA C 54.871 0.3 1 93 24 24 PHE CB C 38.750 0.3 1 94 24 24 PHE N N 121.470 0.3 1 95 25 25 LEU H H 9.021 0.020 1 96 25 25 LEU C C 173.943 0.3 1 97 25 25 LEU CA C 55.467 0.3 1 98 25 25 LEU CB C 41.646 0.3 1 99 25 25 LEU N N 126.339 0.3 1 100 26 26 ILE H H 8.330 0.020 1 101 26 26 ILE C C 171.316 0.3 1 102 26 26 ILE CA C 60.519 0.3 1 103 26 26 ILE CB C 39.633 0.3 1 104 26 26 ILE N N 114.842 0.3 1 105 27 27 ILE H H 6.425 0.020 1 106 27 27 ILE C C 172.726 0.3 1 107 27 27 ILE CA C 59.016 0.3 1 108 27 27 ILE CB C 37.653 0.3 1 109 27 27 ILE N N 117.861 0.3 1 110 28 28 GLU H H 9.639 0.020 1 111 28 28 GLU C C 174.850 0.3 1 112 28 28 GLU CA C 60.051 0.3 1 113 28 28 GLU CB C 28.282 0.3 1 114 28 28 GLU N N 129.320 0.3 1 115 29 29 ASP H H 8.562 0.020 1 116 29 29 ASP C C 174.912 0.3 1 117 29 29 ASP CA C 56.727 0.3 1 118 29 29 ASP CB C 39.842 0.3 1 119 29 29 ASP N N 116.763 0.3 1 120 30 30 VAL H H 6.939 0.020 1 121 30 30 VAL C C 173.393 0.3 1 122 30 30 VAL CA C 65.203 0.3 1 123 30 30 VAL CB C 30.996 0.3 1 124 30 30 VAL N N 118.095 0.3 1 125 31 31 ILE H H 6.993 0.020 1 126 31 31 ILE C C 173.533 0.3 1 127 31 31 ILE CA C 66.001 0.3 1 128 31 31 ILE CB C 37.354 0.3 1 129 31 31 ILE N N 120.429 0.3 1 130 32 32 GLU H H 8.294 0.020 1 131 32 32 GLU C C 175.377 0.3 1 132 32 32 GLU CA C 58.990 0.3 1 133 32 32 GLU CB C 28.015 0.3 1 134 32 32 GLU N N 116.595 0.3 1 135 33 33 LYS H H 7.727 0.020 1 136 33 33 LYS C C 176.633 0.3 1 137 33 33 LYS CA C 57.253 0.3 1 138 33 33 LYS CB C 30.317 0.3 1 139 33 33 LYS N N 118.658 0.3 1 140 34 34 ALA H H 8.493 0.020 1 141 34 34 ALA C C 174.664 0.3 1 142 34 34 ALA CA C 55.273 0.3 1 143 34 34 ALA CB C 15.933 0.3 1 144 34 34 ALA N N 124.667 0.3 1 145 35 35 ILE H H 7.821 0.020 1 146 35 35 ILE C C 175.019 0.3 1 147 35 35 ILE CA C 64.890 0.3 1 148 35 35 ILE CB C 35.981 0.3 1 149 35 35 ILE N N 117.370 0.3 1 150 36 36 GLU H H 8.612 0.020 1 151 36 36 GLU C C 176.992 0.3 1 152 36 36 GLU CA C 58.707 0.3 1 153 36 36 GLU CB C 29.093 0.3 1 154 36 36 GLU N N 120.211 0.3 1 155 37 37 THR H H 8.305 0.020 1 156 37 37 THR C C 171.672 0.3 1 157 37 37 THR CA C 66.003 0.3 1 158 37 37 THR CB C 67.902 0.3 1 159 37 37 THR N N 116.141 0.3 1 160 38 38 ALA H H 7.841 0.020 1 161 38 38 ALA C C 172.106 0.3 1 162 38 38 ALA CA C 52.830 0.3 1 163 38 38 ALA CB C 19.263 0.3 1 164 38 38 ALA N N 120.809 0.3 1 165 39 39 ASN H H 8.119 0.020 1 166 39 39 ASN C C 170.757 0.3 1 167 39 39 ASN CA C 52.782 0.3 1 168 39 39 ASN CB C 36.217 0.3 1 169 39 39 ASN N N 118.436 0.3 1 170 40 40 VAL H H 6.984 0.020 1 171 40 40 VAL C C 172.044 0.3 1 172 40 40 VAL CA C 63.656 0.3 1 173 40 40 VAL CB C 30.339 0.3 1 174 40 40 VAL N N 116.222 0.3 1 175 41 41 ASN H H 9.402 0.020 1 176 41 41 ASN C C 171.455 0.3 1 177 41 41 ASN CA C 51.592 0.3 1 178 41 41 ASN CB C 41.372 0.3 1 179 41 41 ASN N N 126.892 0.3 1 180 42 42 GLU H H 8.793 0.020 1 181 42 42 GLU C C 172.060 0.3 1 182 42 42 GLU CA C 57.841 0.3 1 183 42 42 GLU CB C 27.860 0.3 1 184 42 42 GLU N N 116.067 0.3 1 185 43 43 ASN H H 8.699 0.020 1 186 43 43 ASN C C 172.525 0.3 1 187 43 43 ASN CA C 53.108 0.3 1 188 43 43 ASN CB C 39.328 0.3 1 189 43 43 ASN N N 116.813 0.3 1 190 44 44 ASP H H 8.123 0.020 1 191 44 44 ASP C C 171.812 0.3 1 192 44 44 ASP CA C 55.861 0.3 1 193 44 44 ASP CB C 42.542 0.3 1 194 44 44 ASP N N 120.416 0.3 1 195 45 45 VAL H H 9.197 0.020 1 196 45 45 VAL C C 171.951 0.3 1 197 45 45 VAL CA C 61.549 0.3 1 198 45 45 VAL CB C 32.275 0.3 1 199 45 45 VAL N N 121.842 0.3 1 200 48 48 GLU C C 169.994 0.3 1 201 48 48 GLU CA C 53.974 0.3 1 202 48 48 GLU CB C 32.014 0.3 1 203 49 49 VAL H H 8.726 0.020 1 204 49 49 VAL C C 171.145 0.3 1 205 49 49 VAL CA C 59.913 0.3 1 206 49 49 VAL CB C 32.551 0.3 1 207 49 49 VAL N N 123.335 0.3 1 208 50 50 GLY H H 8.486 0.020 1 209 50 50 GLY C C 169.037 0.3 1 210 50 50 GLY CA C 47.076 0.3 1 211 50 50 GLY N N 108.747 0.3 1 212 51 51 PRO C C 175.561 0.3 1 213 51 51 PRO CA C 62.233 0.3 1 214 51 51 PRO CB C 32.507 0.3 1 215 52 52 GLY H H 8.902 0.020 1 216 52 52 GLY C C 167.858 0.3 1 217 52 52 GLY CA C 47.324 0.3 1 218 52 52 GLY N N 114.122 0.3 1 219 53 53 LEU H H 6.706 0.020 1 220 53 53 LEU C C 173.807 0.3 1 221 53 53 LEU CA C 53.109 0.3 1 222 53 53 LEU CB C 39.337 0.3 1 223 53 53 LEU N N 119.960 0.3 1 224 54 54 GLY H H 8.517 0.020 1 225 54 54 GLY C C 170.866 0.3 1 226 54 54 GLY CA C 45.591 0.3 1 227 54 54 GLY N N 105.363 0.3 1 228 55 55 PHE H H 7.451 0.020 1 229 55 55 PHE C C 175.284 0.3 1 230 55 55 PHE CA C 58.397 0.3 1 231 55 55 PHE CB C 36.312 0.3 1 232 55 55 PHE N N 116.910 0.3 1 233 56 56 LEU H H 8.156 0.020 1 234 56 56 LEU C C 174.340 0.3 1 235 56 56 LEU CA C 57.248 0.3 1 236 56 56 LEU CB C 39.946 0.3 1 237 56 56 LEU N N 119.801 0.3 1 238 57 57 THR H H 8.144 0.020 1 239 57 57 THR C C 172.990 0.3 1 240 57 57 THR CA C 66.249 0.3 1 241 57 57 THR CB C 67.283 0.3 1 242 57 57 THR N N 117.991 0.3 1 243 58 58 ASP H H 8.444 0.020 1 244 58 58 ASP C C 174.649 0.3 1 245 58 58 ASP CA C 56.975 0.3 1 246 58 58 ASP CB C 42.524 0.3 1 247 58 58 ASP N N 115.590 0.3 1 248 59 59 GLU H H 6.880 0.020 1 249 59 59 GLU C C 176.215 0.3 1 250 59 59 GLU CA C 57.593 0.3 1 251 59 59 GLU CB C 28.480 0.3 1 252 59 59 GLU N N 113.976 0.3 1 253 60 60 LEU H H 8.158 0.020 1 254 60 60 LEU C C 174.933 0.3 1 255 60 60 LEU CA C 57.130 0.3 1 256 60 60 LEU CB C 41.647 0.3 1 257 60 60 LEU N N 119.117 0.3 1 258 61 61 ALA H H 7.872 0.020 1 259 61 61 ALA C C 175.817 0.3 1 260 61 61 ALA CA C 54.034 0.3 1 261 61 61 ALA CB C 16.618 0.3 1 262 61 61 ALA N N 112.050 0.3 1 263 62 62 LYS H H 7.090 0.020 1 264 62 62 LYS C C 173.502 0.3 1 265 62 62 LYS CA C 57.748 0.3 1 266 62 62 LYS CB C 32.555 0.3 1 267 62 62 LYS N N 112.296 0.3 1 268 63 63 ARG H H 7.053 0.020 1 269 63 63 ARG C C 171.440 0.3 1 270 63 63 ARG CA C 55.614 0.3 1 271 63 63 ARG CB C 33.514 0.3 1 272 63 63 ARG N N 115.252 0.3 1 273 64 64 ALA H H 7.589 0.020 1 274 64 64 ALA C C 173.042 0.3 1 275 64 64 ALA CA C 50.166 0.3 1 276 64 64 ALA CB C 19.629 0.3 1 277 64 64 ALA N N 119.193 0.3 1 278 65 65 LYS H H 8.291 0.020 1 279 65 65 LYS C C 175.191 0.3 1 280 65 65 LYS CA C 58.923 0.3 1 281 65 65 LYS CB C 31.033 0.3 1 282 65 65 LYS N N 120.598 0.3 1 283 66 66 LYS H H 7.582 0.020 1 284 66 66 LYS C C 169.362 0.3 1 285 66 66 LYS CA C 54.438 0.3 1 286 66 66 LYS CB C 35.993 0.3 1 287 66 66 LYS N N 115.552 0.3 1 288 67 67 VAL H H 8.263 0.020 1 289 67 67 VAL C C 170.308 0.3 1 290 67 67 VAL CA C 59.389 0.3 1 291 67 67 VAL CB C 34.366 0.3 1 292 67 67 VAL N N 123.340 0.3 1 293 70 70 ILE C C 171.469 0.3 1 294 70 70 ILE CA C 60.187 0.3 1 295 70 70 ILE CB C 38.717 0.3 1 296 71 71 GLU H H 8.870 0.020 1 297 71 71 GLU C C 170.277 0.3 1 298 71 71 GLU CA C 53.506 0.3 1 299 71 71 GLU CB C 32.528 0.3 1 300 71 71 GLU N N 129.355 0.3 1 301 72 72 ILE H H 7.873 0.020 1 302 72 72 ILE C C 171.765 0.3 1 303 72 72 ILE CA C 60.996 0.3 1 304 72 72 ILE CB C 39.744 0.3 1 305 72 72 ILE N N 124.821 0.3 1 306 73 73 ASP H H 9.797 0.020 1 307 73 73 ASP C C 173.502 0.3 1 308 73 73 ASP CA C 54.160 0.3 1 309 73 73 ASP CB C 42.137 0.3 1 310 73 73 ASP N N 125.771 0.3 1 311 74 74 GLN H H 8.817 0.020 1 312 74 74 GLN C C 174.143 0.3 1 313 74 74 GLN CA C 58.423 0.3 1 314 74 74 GLN CB C 27.938 0.3 1 315 74 74 GLN N N 126.424 0.3 1 316 75 75 LYS H H 8.556 0.020 1 317 75 75 LYS C C 175.476 0.3 1 318 75 75 LYS CA C 58.397 0.3 1 319 75 75 LYS CB C 30.379 0.3 1 320 75 75 LYS N N 119.291 0.3 1 321 76 76 ILE H H 7.087 0.020 1 322 76 76 ILE C C 174.308 0.3 1 323 76 76 ILE CA C 61.800 0.3 1 324 76 76 ILE CB C 34.997 0.3 1 325 76 76 ILE N N 118.429 0.3 1 326 77 77 ILE H H 7.512 0.020 1 327 77 77 ILE C C 173.285 0.3 1 328 77 77 ILE CA C 66.409 0.3 1 329 77 77 ILE CB C 36.612 0.3 1 330 77 77 ILE N N 118.488 0.3 1 331 78 78 GLU H H 7.718 0.020 1 332 78 78 GLU C C 175.408 0.3 1 333 78 78 GLU CA C 59.024 0.3 1 334 78 78 GLU CB C 28.577 0.3 1 335 78 78 GLU N N 116.377 0.3 1 336 79 79 ILE H H 7.317 0.020 1 337 79 79 ILE C C 174.199 0.3 1 338 79 79 ILE CA C 65.201 0.3 1 339 79 79 ILE CB C 36.419 0.3 1 340 79 79 ILE N N 118.829 0.3 1 341 80 80 LEU H H 8.173 0.020 1 342 80 80 LEU C C 175.876 0.3 1 343 80 80 LEU CA C 57.562 0.3 1 344 80 80 LEU CB C 40.311 0.3 1 345 80 80 LEU N N 118.030 0.3 1 346 81 81 LYS H H 7.884 0.020 1 347 81 81 LYS C C 174.850 0.3 1 348 81 81 LYS CA C 58.212 0.3 1 349 81 81 LYS CB C 31.877 0.3 1 350 81 81 LYS N N 113.909 0.3 1 351 82 82 LYS H H 7.590 0.020 1 352 82 82 LYS C C 175.253 0.3 1 353 82 82 LYS CA C 57.346 0.3 1 354 82 82 LYS CB C 32.894 0.3 1 355 82 82 LYS N N 116.560 0.3 1 356 83 83 GLU H H 8.295 0.020 1 357 83 83 GLU C C 172.029 0.3 1 358 83 83 GLU CA C 56.232 0.3 1 359 83 83 GLU CB C 28.557 0.3 1 360 83 83 GLU N N 116.240 0.3 1 361 84 84 TYR H H 7.028 0.020 1 362 84 84 TYR C C 171.827 0.3 1 363 84 84 TYR CA C 56.201 0.3 1 364 84 84 TYR CB C 37.861 0.3 1 365 84 84 TYR N N 114.898 0.3 1 366 85 85 SER H H 8.213 0.020 1 367 85 85 SER C C 170.819 0.3 1 368 85 85 SER CA C 55.552 0.3 1 369 85 85 SER CB C 61.988 0.3 1 370 85 85 SER N N 116.056 0.3 1 371 86 86 TRP H H 7.371 0.020 1 372 86 86 TRP C C 174.130 0.3 1 373 86 86 TRP CA C 55.706 0.3 1 374 86 86 TRP CB C 30.039 0.3 1 375 86 86 TRP N N 120.861 0.3 1 376 87 87 ASN C C 172.695 0.3 1 377 87 87 ASN CA C 52.941 0.3 1 378 87 87 ASN CB C 38.953 0.3 1 379 88 88 ASN H H 8.284 0.020 1 380 88 88 ASN C C 169.672 0.3 1 381 88 88 ASN CA C 52.243 0.3 1 382 88 88 ASN CB C 36.963 0.3 1 383 88 88 ASN N N 117.985 0.3 1 384 89 89 VAL H H 6.978 0.020 1 385 89 89 VAL C C 171.858 0.3 1 386 89 89 VAL CA C 59.387 0.3 1 387 89 89 VAL CB C 33.448 0.3 1 388 89 89 VAL N N 116.805 0.3 1 389 90 90 LYS H H 8.882 0.020 1 390 90 90 LYS C C 170.649 0.3 1 391 90 90 LYS CA C 53.355 0.3 1 392 90 90 LYS CB C 33.025 0.3 1 393 90 90 LYS N N 129.636 0.3 1 394 91 91 ILE H H 8.609 0.020 1 395 91 91 ILE C C 172.556 0.3 1 396 91 91 ILE CA C 60.328 0.3 1 397 91 91 ILE CB C 37.435 0.3 1 398 91 91 ILE N N 126.750 0.3 1 399 92 92 ILE H H 9.368 0.020 1 400 92 92 ILE C C 170.407 0.3 1 401 92 92 ILE CA C 60.054 0.3 1 402 92 92 ILE CB C 39.168 0.3 1 403 92 92 ILE N N 131.707 0.3 1 404 93 93 GLN H H 8.475 0.020 1 405 93 93 GLN C C 172.354 0.3 1 406 93 93 GLN CA C 53.634 0.3 1 407 93 93 GLN CB C 27.740 0.3 1 408 93 93 GLN N N 127.365 0.3 1 409 94 94 GLY H H 7.971 0.020 1 410 94 94 GLY C C 166.540 0.3 1 411 94 94 GLY CA C 43.859 0.3 1 412 94 94 GLY N N 112.505 0.3 1 413 95 95 ASP H H 8.289 0.020 1 414 95 95 ASP C C 173.455 0.3 1 415 95 95 ASP CA C 52.551 0.3 1 416 95 95 ASP CB C 42.162 0.3 1 417 95 95 ASP N N 118.421 0.3 1 418 96 96 ALA H H 8.790 0.020 1 419 96 96 ALA C C 174.584 0.3 1 420 96 96 ALA CA C 55.035 0.3 1 421 96 96 ALA CB C 19.670 0.3 1 422 96 96 ALA N N 126.014 0.3 1 423 97 97 VAL H H 8.460 0.020 1 424 97 97 VAL C C 173.129 0.3 1 425 97 97 VAL CA C 64.120 0.3 1 426 97 97 VAL CB C 30.792 0.3 1 427 97 97 VAL N N 112.709 0.3 1 428 98 98 ARG H H 7.921 0.020 1 429 98 98 ARG C C 173.825 0.3 1 430 98 98 ARG CA C 56.882 0.3 1 431 98 98 ARG CB C 31.178 0.3 1 432 98 98 ARG N N 120.165 0.3 1 433 99 99 VAL H H 7.806 0.020 1 434 99 99 VAL C C 170.897 0.3 1 435 99 99 VAL CA C 61.089 0.3 1 436 99 99 VAL CB C 32.081 0.3 1 437 99 99 VAL N N 116.285 0.3 1 438 100 100 GLU H H 8.155 0.020 1 439 100 100 GLU C C 173.222 0.3 1 440 100 100 GLU CA C 55.706 0.3 1 441 100 100 GLU CB C 28.669 0.3 1 442 100 100 GLU N N 122.878 0.3 1 443 101 101 TRP H H 8.687 0.020 1 444 101 101 TRP C C 171.192 0.3 1 445 101 101 TRP CA C 52.363 0.3 1 446 101 101 TRP CB C 27.681 0.3 1 447 101 101 TRP N N 126.768 0.3 1 448 102 102 PRO C C 171.095 0.3 1 449 102 102 PRO CA C 61.027 0.3 1 450 102 102 PRO CB C 31.205 0.3 1 451 103 103 LYS H H 7.916 0.020 1 452 103 103 LYS C C 171.988 0.3 1 453 103 103 LYS CA C 56.511 0.3 1 454 103 103 LYS CB C 30.860 0.3 1 455 103 103 LYS N N 117.836 0.3 1 456 104 104 PHE H H 7.358 0.020 1 457 104 104 PHE C C 169.734 0.3 1 458 104 104 PHE CA C 55.683 0.3 1 459 104 104 PHE CB C 39.444 0.3 1 460 104 104 PHE N N 119.434 0.3 1 461 105 105 ASN H H 9.425 0.020 1 462 105 105 ASN C C 172.122 0.3 1 463 105 105 ASN CA C 53.912 0.3 1 464 105 105 ASN CB C 39.710 0.3 1 465 105 105 ASN N N 113.518 0.3 1 466 106 106 LYS H H 8.333 0.020 1 467 106 106 LYS C C 170.553 0.3 1 468 106 106 LYS CA C 54.437 0.3 1 469 106 106 LYS CB C 38.110 0.3 1 470 106 106 LYS N N 120.370 0.3 1 471 109 109 SER C C 170.977 0.3 1 472 109 109 SER CA C 58.026 0.3 1 473 109 109 SER CB C 67.081 0.3 1 474 110 110 ASN H H 9.136 0.020 1 475 110 110 ASN C C 171.920 0.3 1 476 110 110 ASN CA C 53.448 0.3 1 477 110 110 ASN CB C 38.591 0.3 1 478 110 110 ASN N N 125.299 0.3 1 479 111 111 ILE H H 7.976 0.020 1 480 111 111 ILE C C 169.936 0.3 1 481 111 111 ILE CA C 55.211 0.3 1 482 111 111 ILE CB C 35.614 0.3 1 483 111 111 ILE N N 126.713 0.3 1 484 112 112 PRO C C 175.384 0.3 1 485 112 112 PRO CA C 62.385 0.3 1 486 112 112 PRO CB C 31.667 0.3 1 487 113 113 TYR H H 8.275 0.020 1 488 113 113 TYR C C 176.215 0.3 1 489 113 113 TYR CA C 60.061 0.3 1 490 113 113 TYR CB C 36.871 0.3 1 491 113 113 TYR N N 123.904 0.3 1 492 114 114 LYS H H 8.462 0.020 1 493 114 114 LYS C C 174.428 0.3 1 494 114 114 LYS CA C 58.397 0.3 1 495 114 114 LYS CB C 31.516 0.3 1 496 114 114 LYS N N 117.651 0.3 1 497 115 115 ILE H H 7.160 0.020 1 498 115 115 ILE C C 172.091 0.3 1 499 115 115 ILE CA C 59.666 0.3 1 500 115 115 ILE CB C 38.006 0.3 1 501 115 115 ILE N N 107.565 0.3 1 502 116 116 SER H H 7.445 0.020 1 503 116 116 SER C C 172.110 0.3 1 504 116 116 SER CA C 63.501 0.3 1 505 116 116 SER CB C 61.649 0.3 1 506 116 116 SER N N 117.842 0.3 1 507 118 118 PRO C C 176.703 0.3 1 508 118 118 PRO CA C 65.747 0.3 1 509 118 118 PRO CB C 29.847 0.3 1 510 119 119 PHE H H 8.705 0.020 1 511 119 119 PHE C C 171.703 0.3 1 512 119 119 PHE CA C 62.078 0.3 1 513 119 119 PHE CB C 39.278 0.3 1 514 119 119 PHE N N 116.731 0.3 1 515 120 120 THR C C 171.922 0.3 1 516 120 120 THR CA C 68.135 0.3 1 517 120 120 THR CB C 19.841 0.3 1 518 121 121 PHE H H 8.130 0.020 1 519 121 121 PHE C C 173.858 0.3 1 520 121 121 PHE CA C 62.357 0.3 1 521 121 121 PHE CB C 37.574 0.3 1 522 121 121 PHE N N 117.432 0.3 1 523 122 122 LYS H H 7.361 0.020 1 524 122 122 LYS C C 175.502 0.3 1 525 122 122 LYS CA C 59.299 0.3 1 526 122 122 LYS CB C 32.013 0.3 1 527 122 122 LYS N N 118.961 0.3 1 528 123 123 LEU H H 8.324 0.020 1 529 123 123 LEU C C 175.102 0.3 1 530 123 123 LEU CA C 57.784 0.3 1 531 123 123 LEU CB C 40.431 0.3 1 532 123 123 LEU N N 120.890 0.3 1 533 124 124 LEU H H 7.978 0.020 1 534 124 124 LEU C C 173.712 0.3 1 535 124 124 LEU CA C 56.498 0.3 1 536 124 124 LEU CB C 40.422 0.3 1 537 124 124 LEU N N 113.241 0.3 1 538 125 125 LYS H H 7.148 0.020 1 539 125 125 LYS C C 173.021 0.3 1 540 125 125 LYS CA C 55.830 0.3 1 541 125 125 LYS CB C 31.742 0.3 1 542 125 125 LYS N N 116.000 0.3 1 543 126 126 THR H H 8.045 0.020 1 544 126 126 THR C C 169.579 0.3 1 545 126 126 THR CA C 61.614 0.3 1 546 126 126 THR CB C 70.754 0.3 1 547 126 126 THR N N 115.759 0.3 1 548 127 127 ASP H H 8.327 0.020 1 549 127 127 ASP C C 170.928 0.3 1 550 127 127 ASP CA C 53.819 0.3 1 551 127 127 ASP CB C 40.286 0.3 1 552 127 127 ASP N N 121.820 0.3 1 553 128 128 PHE H H 7.282 0.020 1 554 128 128 PHE C C 169.099 0.3 1 555 128 128 PHE CA C 56.047 0.3 1 556 128 128 PHE CB C 39.269 0.3 1 557 128 128 PHE N N 117.556 0.3 1 558 129 129 GLU H H 9.341 0.020 1 559 129 129 GLU C C 173.269 0.3 1 560 129 129 GLU CA C 57.191 0.3 1 561 129 129 GLU CB C 30.928 0.3 1 562 129 129 GLU N N 118.117 0.3 1 563 130 130 ARG H H 7.514 0.020 1 564 130 130 ARG C C 170.106 0.3 1 565 130 130 ARG CA C 56.511 0.3 1 566 130 130 ARG CB C 33.912 0.3 1 567 130 130 ARG N N 114.784 0.3 1 568 131 131 ALA H H 9.472 0.020 1 569 131 131 ALA C C 170.643 0.3 1 570 131 131 ALA CA C 50.050 0.3 1 571 131 131 ALA CB C 21.840 0.3 1 572 131 131 ALA N N 126.689 0.3 1 573 132 132 VAL H H 8.954 0.020 1 574 132 132 VAL CA C 61.437 0.3 1 575 132 132 VAL N N 124.595 0.3 1 576 133 133 VAL H H 8.907 0.020 1 577 133 133 VAL CA C 56.896 0.3 1 578 133 133 VAL N N 118.992 0.3 1 579 135 135 TYR C C 172.965 0.3 1 580 135 135 TYR CA C 54.425 0.3 1 581 135 135 TYR CB C 44.401 0.3 1 582 136 136 GLN H H 8.835 0.020 1 583 136 136 GLN C C 174.385 0.3 1 584 136 136 GLN CA C 57.421 0.3 1 585 136 136 GLN CB C 27.616 0.3 1 586 136 136 GLN N N 119.285 0.3 1 587 137 137 LEU H H 9.035 0.020 1 588 137 137 LEU C C 173.998 0.3 1 589 137 137 LEU CA C 58.774 0.3 1 590 137 137 LEU CB C 40.761 0.3 1 591 137 137 LEU N N 126.609 0.3 1 592 138 138 GLU H H 8.776 0.020 1 593 138 138 GLU C C 174.804 0.3 1 594 138 138 GLU CA C 59.480 0.3 1 595 138 138 GLU CB C 28.207 0.3 1 596 138 138 GLU N N 115.137 0.3 1 597 139 139 PHE H H 7.169 0.020 1 598 139 139 PHE C C 173.471 0.3 1 599 139 139 PHE CA C 61.212 0.3 1 600 139 139 PHE CB C 38.862 0.3 1 601 139 139 PHE N N 119.433 0.3 1 602 140 140 ALA H H 7.976 0.020 1 603 140 140 ALA C C 175.362 0.3 1 604 140 140 ALA CA C 54.840 0.3 1 605 140 140 ALA CB C 18.264 0.3 1 606 140 140 ALA N N 120.548 0.3 1 607 141 141 LEU H H 8.472 0.020 1 608 141 141 LEU C C 176.587 0.3 1 609 141 141 LEU CA C 56.696 0.3 1 610 141 141 LEU CB C 40.015 0.3 1 611 141 141 LEU N N 114.182 0.3 1 612 142 142 ARG H H 7.371 0.020 1 613 142 142 ARG C C 175.455 0.3 1 614 142 142 ARG CA C 58.686 0.3 1 615 142 142 ARG CB C 29.177 0.3 1 616 142 142 ARG N N 118.539 0.3 1 617 143 143 MET H H 7.629 0.020 1 618 143 143 MET C C 172.199 0.3 1 619 143 143 MET CA C 59.346 0.3 1 620 143 143 MET CB C 32.528 0.3 1 621 143 143 MET N N 119.617 0.3 1 622 144 144 VAL H H 6.863 0.020 1 623 144 144 VAL C C 172.323 0.3 1 624 144 144 VAL CA C 59.851 0.3 1 625 144 144 VAL CB C 30.504 0.3 1 626 144 144 VAL N N 103.392 0.3 1 627 145 145 ALA H H 6.876 0.020 1 628 145 145 ALA C C 173.021 0.3 1 629 145 145 ALA CA C 52.289 0.3 1 630 145 145 ALA CB C 17.975 0.3 1 631 145 145 ALA N N 126.558 0.3 1 632 146 146 LYS H H 8.252 0.020 1 633 146 146 LYS C C 171.827 0.3 1 634 146 146 LYS CA C 53.253 0.3 1 635 146 146 LYS CB C 30.707 0.3 1 636 146 146 LYS N N 120.042 0.3 1 637 147 147 PRO C C 173.732 0.3 1 638 147 147 PRO CA C 62.789 0.3 1 639 147 147 PRO CB C 30.648 0.3 1 640 148 148 GLY H H 8.414 0.020 1 641 148 148 GLY C C 170.137 0.3 1 642 148 148 GLY CA C 44.538 0.3 1 643 148 148 GLY N N 110.530 0.3 1 644 149 149 SER H H 7.997 0.020 1 645 149 149 SER C C 172.091 0.3 1 646 149 149 SER CA C 57.779 0.3 1 647 149 149 SER CB C 64.672 0.3 1 648 149 149 SER N N 115.914 0.3 1 649 150 150 ARG C C 173.456 0.3 1 650 150 150 ARG CA C 58.521 0.3 1 651 150 150 ARG CB C 29.492 0.3 1 652 151 151 ASN H H 8.217 0.020 1 653 151 151 ASN C C 170.866 0.3 1 654 151 151 ASN CA C 51.685 0.3 1 655 151 151 ASN CB C 37.792 0.3 1 656 151 151 ASN N N 112.609 0.3 1 657 152 152 TYR H H 7.295 0.020 1 658 152 152 TYR C C 171.719 0.3 1 659 152 152 TYR CA C 60.161 0.3 1 660 152 152 TYR CB C 37.851 0.3 1 661 152 152 TYR N N 121.601 0.3 1 662 153 153 SER H H 8.107 0.020 1 663 153 153 SER C C 168.680 0.3 1 664 153 153 SER CA C 56.387 0.3 1 665 153 153 SER CB C 66.192 0.3 1 666 153 153 SER N N 122.170 0.3 1 667 154 154 ARG H H 8.230 0.020 1 668 154 154 ARG C C 173.181 0.3 1 669 154 154 ARG CA C 59.047 0.3 1 670 154 154 ARG CB C 29.125 0.3 1 671 154 154 ARG N N 121.082 0.3 1 672 155 155 LEU H H 7.631 0.020 1 673 155 155 LEU C C 172.618 0.3 1 674 155 155 LEU CA C 57.810 0.3 1 675 155 155 LEU CB C 41.238 0.3 1 676 155 155 LEU N N 117.774 0.3 1 677 156 156 SER H H 6.628 0.020 1 678 156 156 SER C C 172.385 0.3 1 679 156 156 SER CA C 58.707 0.3 1 680 156 156 SER CB C 62.327 0.3 1 681 156 156 SER N N 111.025 0.3 1 682 157 157 LEU H H 7.237 0.020 1 683 157 157 LEU C C 175.036 0.3 1 684 157 157 LEU CA C 57.995 0.3 1 685 157 157 LEU CB C 40.596 0.3 1 686 157 157 LEU N N 118.713 0.3 1 687 158 158 MET H H 8.121 0.020 1 688 158 158 MET C C 175.284 0.3 1 689 158 158 MET CA C 57.013 0.3 1 690 158 158 MET CB C 30.379 0.3 1 691 158 158 MET N N 114.263 0.3 1 692 159 159 ALA H H 8.564 0.020 1 693 159 159 ALA C C 175.266 0.3 1 694 159 159 ALA CA C 55.068 0.3 1 695 159 159 ALA CB C 16.785 0.3 1 696 159 159 ALA N N 120.255 0.3 1 697 160 160 GLN H H 7.993 0.020 1 698 160 160 GLN C C 174.957 0.3 1 699 160 160 GLN CA C 56.982 0.3 1 700 160 160 GLN CB C 27.396 0.3 1 701 160 160 GLN N N 113.861 0.3 1 702 161 161 ALA H H 8.430 0.020 1 703 161 161 ALA C C 174.153 0.3 1 704 161 161 ALA CA C 54.581 0.3 1 705 161 161 ALA CB C 17.739 0.3 1 706 161 161 ALA N N 121.847 0.3 1 707 162 162 LEU H H 7.299 0.020 1 708 162 162 LEU C C 174.263 0.3 1 709 162 162 LEU CA C 54.935 0.3 1 710 162 162 LEU CB C 43.425 0.3 1 711 162 162 LEU N N 113.199 0.3 1 712 163 163 GLY H H 8.397 0.020 1 713 163 163 GLY C C 166.959 0.3 1 714 163 163 GLY CA C 44.849 0.3 1 715 163 163 GLY N N 107.909 0.3 1 716 164 164 ASN H H 8.785 0.020 1 717 164 164 ASN C C 171.130 0.3 1 718 164 164 ASN CA C 52.609 0.3 1 719 164 164 ASN CB C 39.608 0.3 1 720 164 164 ASN N N 117.598 0.3 1 721 165 165 VAL H H 8.424 0.020 1 722 165 165 VAL C C 171.036 0.3 1 723 165 165 VAL CA C 60.037 0.3 1 724 165 165 VAL CB C 32.766 0.3 1 725 165 165 VAL N N 123.815 0.3 1 726 166 166 GLU H H 8.916 0.020 1 727 166 166 GLU C C 171.548 0.3 1 728 166 166 GLU CA C 54.407 0.3 1 729 166 166 GLU CB C 33.131 0.3 1 730 166 166 GLU N N 123.872 0.3 1 731 167 167 ILE H H 8.961 0.020 1 732 167 167 ILE C C 172.416 0.3 1 733 167 167 ILE CA C 61.645 0.3 1 734 167 167 ILE CB C 36.557 0.3 1 735 167 167 ILE N N 123.322 0.3 1 736 168 168 VAL H H 9.260 0.020 1 737 168 168 VAL C C 172.804 0.3 1 738 168 168 VAL CA C 63.718 0.3 1 739 168 168 VAL CB C 32.197 0.3 1 740 168 168 VAL N N 129.290 0.3 1 741 169 169 MET H H 7.303 0.020 1 742 169 169 MET C C 170.137 0.3 1 743 169 169 MET CA C 55.187 0.3 1 744 169 169 MET CB C 34.908 0.3 1 745 169 169 MET N N 112.036 0.3 1 746 170 170 LYS H H 8.773 0.020 1 747 170 170 LYS C C 171.502 0.3 1 748 170 170 LYS CA C 56.446 0.3 1 749 170 170 LYS CB C 31.809 0.3 1 750 170 170 LYS N N 124.294 0.3 1 751 171 171 ILE H H 8.606 0.020 1 752 171 171 ILE C C 171.316 0.3 1 753 171 171 ILE CA C 59.480 0.3 1 754 171 171 ILE CB C 39.201 0.3 1 755 171 171 ILE N N 124.897 0.3 1 756 172 172 GLY H H 8.593 0.020 1 757 172 172 GLY C C 171.238 0.3 1 758 172 172 GLY CA C 45.282 0.3 1 759 172 172 GLY N N 113.761 0.3 1 760 173 173 LYS H H 8.507 0.020 1 761 173 173 LYS C C 173.129 0.3 1 762 173 173 LYS CA C 58.425 0.3 1 763 173 173 LYS CB C 30.390 0.3 1 764 173 173 LYS N N 119.476 0.3 1 765 174 174 GLY H H 8.477 0.020 1 766 174 174 GLY C C 170.726 0.3 1 767 174 174 GLY CA C 45.189 0.3 1 768 174 174 GLY N N 104.226 0.3 1 769 175 175 ALA H H 8.009 0.020 1 770 175 175 ALA C C 171.277 0.3 1 771 175 175 ALA CA C 51.983 0.3 1 772 175 175 ALA CB C 18.115 0.3 1 773 175 175 ALA N N 121.177 0.3 1 774 176 176 PHE H H 7.497 0.020 1 775 176 176 PHE C C 170.990 0.3 1 776 176 176 PHE CA C 54.964 0.3 1 777 176 176 PHE CB C 43.366 0.3 1 778 176 176 PHE N N 113.050 0.3 1 779 177 177 TYR H H 9.269 0.020 1 780 177 177 TYR C C 170.804 0.3 1 781 177 177 TYR CA C 55.119 0.3 1 782 177 177 TYR CB C 42.989 0.3 1 783 177 177 TYR N N 119.659 0.3 1 784 180 180 PRO C C 171.725 0.3 1 785 180 180 PRO CA C 61.460 0.3 1 786 180 180 PRO CB C 32.910 0.3 1 787 181 181 LYS H H 8.445 0.020 1 788 181 181 LYS C C 172.881 0.3 1 789 181 181 LYS CA C 56.634 0.3 1 790 181 181 LYS CB C 32.318 0.3 1 791 181 181 LYS N N 114.685 0.3 1 792 182 182 VAL H H 6.886 0.020 1 793 182 182 VAL C C 170.990 0.3 1 794 182 182 VAL CA C 58.119 0.3 1 795 182 182 VAL CB C 34.637 0.3 1 796 182 182 VAL N N 109.053 0.3 1 797 183 183 ASP H H 8.396 0.020 1 798 183 183 ASP C C 171.998 0.3 1 799 183 183 ASP CA C 54.376 0.3 1 800 183 183 ASP CB C 41.778 0.3 1 801 183 183 ASP N N 121.251 0.3 1 802 184 184 SER H H 8.835 0.020 1 803 184 184 SER C C 168.990 0.3 1 804 184 184 SER CA C 58.428 0.3 1 805 184 184 SER CB C 66.605 0.3 1 806 184 184 SER N N 113.843 0.3 1 807 185 185 ALA H H 9.515 0.020 1 808 185 185 ALA C C 170.773 0.3 1 809 185 185 ALA CA C 50.757 0.3 1 810 185 185 ALA CB C 21.432 0.3 1 811 185 185 ALA N N 122.078 0.3 1 812 186 186 LEU H H 8.866 0.020 1 813 186 186 LEU C C 170.783 0.3 1 814 186 186 LEU CA C 53.772 0.3 1 815 186 186 LEU CB C 43.492 0.3 1 816 186 186 LEU N N 122.963 0.3 1 817 191 191 PRO C C 173.142 0.3 1 818 191 191 PRO CA C 62.666 0.3 1 819 191 191 PRO CB C 31.096 0.3 1 820 192 192 ARG H H 8.240 0.020 1 821 192 192 ARG C C 173.409 0.3 1 822 192 192 ARG CA C 55.242 0.3 1 823 192 192 ARG CB C 30.773 0.3 1 824 192 192 ARG N N 122.513 0.3 1 825 193 193 LYS H H 8.836 0.020 1 826 193 193 LYS C C 173.517 0.3 1 827 193 193 LYS CA C 58.196 0.3 1 828 193 193 LYS CB C 31.063 0.3 1 829 193 193 LYS N N 124.029 0.3 1 830 194 194 ASP H H 8.611 0.020 1 831 194 194 ASP C C 171.192 0.3 1 832 194 194 ASP CA C 51.623 0.3 1 833 194 194 ASP CB C 38.252 0.3 1 834 194 194 ASP N N 118.921 0.3 1 835 195 195 LYS H H 7.115 0.020 1 836 195 195 LYS C C 172.029 0.3 1 837 195 195 LYS CA C 56.789 0.3 1 838 195 195 LYS CB C 32.488 0.3 1 839 195 195 LYS N N 117.462 0.3 1 840 196 196 ILE H H 8.193 0.020 1 841 196 196 ILE C C 170.788 0.3 1 842 196 196 ILE CA C 59.742 0.3 1 843 196 196 ILE CB C 37.370 0.3 1 844 196 196 ILE N N 123.557 0.3 1 845 197 197 VAL H H 8.397 0.020 1 846 197 197 VAL C C 172.091 0.3 1 847 197 197 VAL CA C 62.243 0.3 1 848 197 197 VAL CB C 30.643 0.3 1 849 197 197 VAL N N 127.692 0.3 1 850 198 198 LEU H H 8.063 0.020 1 851 198 198 LEU C C 173.052 0.3 1 852 198 198 LEU CA C 52.482 0.3 1 853 198 198 LEU CB C 44.259 0.3 1 854 198 198 LEU N N 127.769 0.3 1 855 199 199 ASN H H 9.834 0.020 1 856 199 199 ASN C C 172.339 0.3 1 857 199 199 ASN CA C 53.886 0.3 1 858 199 199 ASN CB C 37.506 0.3 1 859 199 199 ASN N N 122.629 0.3 1 860 200 200 GLU H H 8.749 0.020 1 861 200 200 GLU C C 174.685 0.3 1 862 200 200 GLU CA C 59.323 0.3 1 863 200 200 GLU CB C 29.253 0.3 1 864 200 200 GLU N N 128.333 0.3 1 865 201 201 ASN H H 8.085 0.020 1 866 201 201 ASN C C 174.029 0.3 1 867 201 201 ASN CA C 55.706 0.3 1 868 201 201 ASN CB C 36.963 0.3 1 869 201 201 ASN N N 118.149 0.3 1 870 202 202 LEU H H 8.215 0.020 1 871 202 202 LEU C C 173.176 0.3 1 872 202 202 LEU CA C 57.278 0.3 1 873 202 202 LEU CB C 40.225 0.3 1 874 202 202 LEU N N 120.984 0.3 1 875 203 203 VAL H H 7.746 0.020 1 876 203 203 VAL C C 174.250 0.3 1 877 203 203 VAL CA C 67.337 0.3 1 878 203 203 VAL CB C 30.724 0.3 1 879 203 203 VAL N N 116.708 0.3 1 880 204 204 LYS H H 8.146 0.020 1 881 204 204 LYS C C 174.990 0.3 1 882 204 204 LYS CA C 59.885 0.3 1 883 204 204 LYS CB C 31.640 0.3 1 884 204 204 LYS N N 117.977 0.3 1 885 205 205 ALA H H 7.908 0.020 1 886 205 205 ALA C C 176.030 0.3 1 887 205 205 ALA CA C 54.747 0.3 1 888 205 205 ALA CB C 16.822 0.3 1 889 205 205 ALA N N 120.648 0.3 1 890 206 206 LEU H H 8.248 0.020 1 891 206 206 LEU C C 175.439 0.3 1 892 206 206 LEU CA C 57.686 0.3 1 893 206 206 LEU CB C 40.562 0.3 1 894 206 206 LEU N N 113.944 0.3 1 895 207 207 PHE H H 8.248 0.020 1 896 207 207 PHE C C 173.424 0.3 1 897 207 207 PHE CA C 61.491 0.3 1 898 207 207 PHE CB C 36.896 0.3 1 899 207 207 PHE N N 112.388 0.3 1 900 208 208 GLN H H 7.513 0.020 1 901 208 208 GLN C C 172.292 0.3 1 902 208 208 GLN CA C 57.655 0.3 1 903 208 208 GLN CB C 27.618 0.3 1 904 208 208 GLN N N 120.183 0.3 1 905 209 209 HIS H H 7.589 0.020 1 906 209 209 HIS C C 172.788 0.3 1 907 209 209 HIS CA C 53.961 0.3 1 908 209 209 HIS CB C 30.412 0.3 1 909 209 209 HIS N N 119.219 0.3 1 910 210 210 ARG H H 7.172 0.020 1 911 210 210 ARG C C 171.936 0.3 1 912 210 210 ARG CA C 58.954 0.3 1 913 210 210 ARG CB C 30.270 0.3 1 914 210 210 ARG N N 115.870 0.3 1 915 211 211 ARG H H 8.484 0.020 1 916 211 211 ARG C C 173.145 0.3 1 917 211 211 ARG CA C 55.830 0.3 1 918 211 211 ARG CB C 28.961 0.3 1 919 211 211 ARG N N 114.685 0.3 1 920 212 212 LYS H H 7.819 0.020 1 921 212 212 LYS C C 173.245 0.3 1 922 212 212 LYS CA C 55.768 0.3 1 923 212 212 LYS CB C 33.753 0.3 1 924 212 212 LYS N N 118.888 0.3 1 925 213 213 THR H H 8.144 0.020 1 926 213 213 THR C C 171.734 0.3 1 927 213 213 THR CA C 61.274 0.3 1 928 213 213 THR CB C 69.787 0.3 1 929 213 213 THR N N 109.124 0.3 1 930 214 214 VAL H H 8.189 0.020 1 931 214 214 VAL C C 170.691 0.3 1 932 214 214 VAL CA C 68.605 0.3 1 933 214 214 VAL CB C 29.727 0.3 1 934 214 214 VAL N N 119.025 0.3 1 935 215 215 PRO C C 174.971 0.3 1 936 215 215 PRO CA C 65.636 0.3 1 937 215 215 PRO CB C 30.046 0.3 1 938 216 216 ARG H H 6.824 0.020 1 939 216 216 ARG C C 174.060 0.3 1 940 216 216 ARG CA C 58.026 0.3 1 941 216 216 ARG CB C 29.232 0.3 1 942 216 216 ARG N N 116.626 0.3 1 943 217 217 ALA H H 8.800 0.020 1 944 217 217 ALA C C 176.726 0.3 1 945 217 217 ALA CA C 54.453 0.3 1 946 217 217 ALA CB C 18.856 0.3 1 947 217 217 ALA N N 120.442 0.3 1 948 218 218 LEU H H 8.102 0.020 1 949 218 218 LEU C C 174.680 0.3 1 950 218 218 LEU CA C 57.160 0.3 1 951 218 218 LEU CB C 41.304 0.3 1 952 218 218 LEU N N 115.750 0.3 1 953 219 219 LYS H H 8.008 0.020 1 954 219 219 LYS C C 175.111 0.3 1 955 219 219 LYS CA C 59.915 0.3 1 956 219 219 LYS CB C 31.199 0.3 1 957 219 219 LYS N N 117.891 0.3 1 958 220 220 ASP H H 7.963 0.020 1 959 220 220 ASP C C 173.858 0.3 1 960 220 220 ASP CA C 55.397 0.3 1 961 220 220 ASP CB C 39.066 0.3 1 962 220 220 ASP N N 116.010 0.3 1 963 221 221 SER H H 7.604 0.020 1 964 221 221 SER C C 172.587 0.3 1 965 221 221 SER CA C 58.583 0.3 1 966 221 221 SER CB C 64.287 0.3 1 967 221 221 SER N N 113.625 0.3 1 968 222 222 ILE H H 7.458 0.020 1 969 222 222 ILE C C 173.005 0.3 1 970 222 222 ILE CA C 63.201 0.3 1 971 222 222 ILE CB C 36.489 0.3 1 972 222 222 ILE N N 120.823 0.3 1 973 223 223 HIS C C 174.538 0.3 1 974 223 223 HIS CA C 57.872 0.3 1 975 223 223 HIS CB C 28.536 0.3 1 976 224 224 MET H H 7.855 0.020 1 977 224 224 MET C C 173.455 0.3 1 978 224 224 MET CA C 56.696 0.3 1 979 224 224 MET CB C 31.746 0.3 1 980 224 224 MET N N 119.999 0.3 1 981 225 225 LEU H H 7.766 0.020 1 982 225 225 LEU C C 173.670 0.3 1 983 225 225 LEU CA C 54.469 0.3 1 984 225 225 LEU CB C 41.000 0.3 1 985 225 225 LEU N N 117.657 0.3 1 986 226 226 GLY H H 7.827 0.020 1 987 226 226 GLY C C 170.401 0.3 1 988 226 226 GLY CA C 45.622 0.3 1 989 226 226 GLY N N 106.580 0.3 1 990 227 227 VAL H H 7.129 0.020 1 991 227 227 VAL C C 171.145 0.3 1 992 227 227 VAL CA C 59.820 0.3 1 993 227 227 VAL CB C 33.270 0.3 1 994 227 227 VAL N N 115.627 0.3 1 995 228 228 SER H H 8.538 0.020 1 996 228 228 SER C C 172.075 0.3 1 997 228 228 SER CA C 57.005 0.3 1 998 228 228 SER CB C 64.294 0.3 1 999 228 228 SER N N 118.421 0.3 1 1000 229 229 LYS H H 8.552 0.020 1 1001 229 229 LYS C C 174.571 0.3 1 1002 229 229 LYS CA C 58.243 0.3 1 1003 229 229 LYS CB C 31.538 0.3 1 1004 229 229 LYS N N 122.018 0.3 1 1005 230 230 ASP H H 8.215 0.020 1 1006 230 230 ASP C C 174.509 0.3 1 1007 230 230 ASP CA C 56.267 0.3 1 1008 230 230 ASP CB C 40.286 0.3 1 1009 230 230 ASP N N 118.364 0.3 1 1010 231 231 GLU H H 7.910 0.020 1 1011 231 231 GLU C C 174.618 0.3 1 1012 231 231 GLU CA C 57.593 0.3 1 1013 231 231 GLU CB C 29.061 0.3 1 1014 231 231 GLU N N 118.484 0.3 1 1015 232 232 ILE H H 7.418 0.020 1 1016 232 232 ILE C C 173.145 0.3 1 1017 232 232 ILE CA C 60.872 0.3 1 1018 232 232 ILE CB C 37.777 0.3 1 1019 232 232 ILE N N 113.753 0.3 1 1020 233 233 ARG H H 7.725 0.020 1 1021 233 233 ARG C C 174.494 0.3 1 1022 233 233 ARG CA C 59.155 0.3 1 1023 233 233 ARG CB C 28.961 0.3 1 1024 233 233 ARG N N 121.811 0.3 1 1025 234 234 GLY H H 8.208 0.020 1 1026 234 234 GLY C C 172.091 0.3 1 1027 234 234 GLY CA C 45.876 0.3 1 1028 234 234 GLY N N 105.466 0.3 1 1029 235 235 ILE H H 7.400 0.020 1 1030 235 235 ILE C C 176.432 0.3 1 1031 235 235 ILE CA C 61.336 0.3 1 1032 235 235 ILE CB C 38.181 0.3 1 1033 235 235 ILE N N 114.860 0.3 1 1034 236 236 ILE H H 7.952 0.020 1 1035 236 236 ILE C C 172.354 0.3 1 1036 236 236 ILE CA C 62.603 0.3 1 1037 236 236 ILE CB C 36.608 0.3 1 1038 236 236 ILE N N 121.137 0.3 1 1039 237 237 ASN H H 8.051 0.020 1 1040 237 237 ASN C C 172.316 0.3 1 1041 237 237 ASN CA C 54.902 0.3 1 1042 237 237 ASN CB C 37.232 0.3 1 1043 237 237 ASN N N 116.331 0.3 1 1044 238 238 ASN H H 7.003 0.020 1 1045 238 238 ASN C C 169.285 0.3 1 1046 238 238 ASN CA C 51.963 0.3 1 1047 238 238 ASN CB C 38.774 0.3 1 1048 238 238 ASN N N 114.188 0.3 1 1049 239 239 VAL H H 6.824 0.020 1 1050 239 239 VAL C C 168.943 0.3 1 1051 239 239 VAL CA C 58.459 0.3 1 1052 239 239 VAL CB C 31.809 0.3 1 1053 239 239 VAL N N 118.751 0.3 1 1054 240 240 PRO C C 170.348 0.3 1 1055 240 240 PRO CA C 62.357 0.3 1 1056 240 240 PRO CB C 31.335 0.3 1 1057 241 241 HIS H H 7.984 0.020 1 1058 241 241 HIS C C 172.897 0.3 1 1059 241 241 HIS CA C 55.861 0.3 1 1060 241 241 HIS CB C 25.841 0.3 1 1061 241 241 HIS N N 109.228 0.3 1 1062 242 242 SER H H 7.475 0.020 1 1063 242 242 SER C C 170.370 0.3 1 1064 242 242 SER CA C 60.563 0.3 1 1065 242 242 SER CB C 62.327 0.3 1 1066 242 242 SER N N 109.495 0.3 1 1067 243 243 ASN H H 8.319 0.020 1 1068 243 243 ASN C C 171.827 0.3 1 1069 243 243 ASN CA C 52.799 0.3 1 1070 243 243 ASN CB C 37.438 0.3 1 1071 243 243 ASN N N 114.970 0.3 1 1072 244 244 LYS H H 7.684 0.020 1 1073 244 244 LYS C C 172.230 0.3 1 1074 244 244 LYS CA C 56.176 0.3 1 1075 244 244 LYS CB C 33.055 0.3 1 1076 244 244 LYS N N 119.643 0.3 1 1077 245 245 ARG H H 7.920 0.020 1 1078 245 245 ARG C C 174.711 0.3 1 1079 245 245 ARG CA C 53.881 0.3 1 1080 245 245 ARG CB C 30.724 0.3 1 1081 245 245 ARG N N 116.413 0.3 1 1082 246 246 VAL H H 8.106 0.020 1 1083 246 246 VAL C C 174.055 0.3 1 1084 246 246 VAL CA C 66.811 0.3 1 1085 246 246 VAL CB C 29.648 0.3 1 1086 246 246 VAL N N 121.900 0.3 1 1087 247 247 PHE H H 8.066 0.020 1 1088 247 247 PHE C C 169.517 0.3 1 1089 247 247 PHE CA C 57.964 0.3 1 1090 247 247 PHE CB C 36.353 0.3 1 1091 247 247 PHE N N 110.030 0.3 1 1092 248 248 GLN H H 7.475 0.020 1 1093 248 248 GLN C C 172.649 0.3 1 1094 248 248 GLN CA C 54.500 0.3 1 1095 248 248 GLN CB C 28.511 0.3 1 1096 248 248 GLN N N 116.098 0.3 1 1097 249 249 LEU H H 7.693 0.020 1 1098 249 249 LEU C C 172.925 0.3 1 1099 249 249 LEU CA C 54.667 0.3 1 1100 249 249 LEU CB C 42.034 0.3 1 1101 249 249 LEU N N 119.932 0.3 1 1102 250 250 TYR H H 9.216 0.020 1 1103 250 250 TYR C C 172.819 0.3 1 1104 250 250 TYR CA C 56.541 0.3 1 1105 250 250 TYR CB C 36.785 0.3 1 1106 250 250 TYR N N 121.546 0.3 1 1107 251 251 PRO C C 174.066 0.3 1 1108 251 251 PRO CA C 66.718 0.3 1 1109 251 251 PRO CB C 30.996 0.3 1 1110 252 252 GLU H H 10.622 0.020 1 1111 252 252 GLU C C 174.866 0.3 1 1112 252 252 GLU CA C 60.006 0.3 1 1113 252 252 GLU CB C 28.012 0.3 1 1114 252 252 GLU N N 116.370 0.3 1 1115 253 253 GLU H H 7.255 0.020 1 1116 253 253 GLU C C 176.013 0.3 1 1117 253 253 GLU CA C 57.500 0.3 1 1118 253 253 GLU CB C 29.796 0.3 1 1119 253 253 GLU N N 117.188 0.3 1 1120 254 254 VAL H H 7.735 0.020 1 1121 254 254 VAL C C 174.491 0.3 1 1122 254 254 VAL CA C 66.440 0.3 1 1123 254 254 VAL CB C 29.529 0.3 1 1124 254 254 VAL N N 119.184 0.3 1 1125 255 255 LYS H H 8.056 0.020 1 1126 255 255 LYS C C 174.292 0.3 1 1127 255 255 LYS CA C 57.779 0.3 1 1128 255 255 LYS CB C 29.951 0.3 1 1129 255 255 LYS N N 121.525 0.3 1 1130 256 256 ASP H H 7.701 0.020 1 1131 256 256 ASP C C 176.416 0.3 1 1132 256 256 ASP CA C 57.222 0.3 1 1133 256 256 ASP CB C 40.072 0.3 1 1134 256 256 ASP N N 117.761 0.3 1 1135 257 257 ILE H H 7.698 0.020 1 1136 257 257 ILE C C 173.162 0.3 1 1137 257 257 ILE CA C 66.103 0.3 1 1138 257 257 ILE CB C 37.232 0.3 1 1139 257 257 ILE N N 121.498 0.3 1 1140 258 258 GLU H H 8.872 0.020 1 1141 258 258 GLU C C 174.902 0.3 1 1142 258 258 GLU CA C 60.220 0.3 1 1143 258 258 GLU CB C 29.259 0.3 1 1144 258 258 GLU N N 121.803 0.3 1 1145 259 259 GLU H H 8.936 0.020 1 1146 259 259 GLU C C 175.781 0.3 1 1147 259 259 GLU CA C 58.898 0.3 1 1148 259 259 GLU CB C 28.893 0.3 1 1149 259 259 GLU N N 116.741 0.3 1 1150 260 260 TYR H H 7.881 0.020 1 1151 260 260 TYR C C 173.874 0.3 1 1152 260 260 TYR CA C 61.181 0.3 1 1153 260 260 TYR CB C 37.888 0.3 1 1154 260 260 TYR N N 121.218 0.3 1 1155 261 261 LEU H H 8.568 0.020 1 1156 261 261 LEU C C 176.440 0.3 1 1157 261 261 LEU CA C 57.291 0.3 1 1158 261 261 LEU CB C 40.250 0.3 1 1159 261 261 LEU N N 118.721 0.3 1 1160 262 262 LYS H H 8.753 0.020 1 1161 262 262 LYS C C 177.300 0.3 1 1162 262 262 LYS CA C 58.985 0.3 1 1163 262 262 LYS CB C 31.683 0.3 1 1164 262 262 LYS N N 121.377 0.3 1 1165 263 263 LYS H H 8.115 0.020 1 1166 263 263 LYS C C 174.294 0.3 1 1167 263 263 LYS CA C 58.428 0.3 1 1168 263 263 LYS CB C 30.901 0.3 1 1169 263 263 LYS N N 121.663 0.3 1 1170 264 264 HIS H H 7.089 0.020 1 1171 264 264 HIS C C 171.067 0.3 1 1172 264 264 HIS CA C 56.325 0.3 1 1173 264 264 HIS CB C 29.571 0.3 1 1174 264 264 HIS N N 113.185 0.3 1 1175 265 265 GLY H H 7.790 0.020 1 1176 265 265 GLY C C 170.835 0.3 1 1177 265 265 GLY CA C 45.870 0.3 1 1178 265 265 GLY N N 107.414 0.3 1 1179 266 266 ILE H H 8.006 0.020 1 1180 266 266 ILE C C 171.800 0.3 1 1181 266 266 ILE CA C 60.717 0.3 1 1182 266 266 ILE CB C 36.535 0.3 1 1183 266 266 ILE N N 118.608 0.3 1 1184 267 267 ILE H H 6.735 0.020 1 1185 267 267 ILE C C 170.618 0.3 1 1186 267 267 ILE CA C 58.769 0.3 1 1187 267 267 ILE CB C 39.676 0.3 1 1188 267 267 ILE N N 112.625 0.3 1 1189 268 268 SER H H 7.905 0.020 1 1190 268 268 SER C C 174.840 0.3 1 1191 268 268 SER CA C 59.517 0.3 1 1192 268 268 SER CB C 64.565 0.3 1 1193 268 268 SER N N 122.758 0.3 1 stop_ save_