data_27133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shift assignments for the full length of human uracil DNA glycosylase UNG2 ; _BMRB_accession_number 27133 _BMRB_flat_file_name bmr27133.str _Entry_type original _Submission_date 2017-06-10 _Accession_date 2017-06-10 _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 Buchinger Edith . . 2 Wiik Siv . . 3 Kusnierczyk Anna . . 4 Rabe Renana . . 5 Aas Per A. . 6 Kavli Bodil . . 7 Slupphaug Geir . . 8 Aachmann Finn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1167 "13C chemical shifts" 1355 "15N chemical shifts" 516 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-17 update BMRB 'update entry citation' 2017-09-14 original author 'original release' stop_ _Original_release_date 2017-06-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C and 15N chemical shift assignment of full-length human uracil DNA glycosylase UNG2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28879561 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchinger Edith . . 2 Wiik Siv . . 3 Kusnierczyk Anna . . 4 Rabe Renana . . 5 Aas Per A. . 6 Kavli Bodil . . 7 Slupphaug Geir . . 8 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15 _Page_last 22 _Year 2018 _Details . loop_ _Keyword 'DNA repair' UNG2 'uracil DNA glycolylase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UNG2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal UNG2' $NUNG2 'C-terminal UNG2' $CUNG2 stop_ _System_molecular_weight 34645 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; The full-length UNG2 was separated into two parts. The 92AA long N-terminal UNG2 and a 221 AA long C-terminal UNG2. ; save_ ######################## # Monomeric polymers # ######################## save_NUNG2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NUNG2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MIGQKTLYSFFSPSPARKRH APSPEPAVQGTGVAGVPEES GDAAAIPAKKAPAGQEEPGT PPSSPLSAEQLDRIQRNKAA ALLRLAARNVPVAAAGSEQK LISEEDLKASGADHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 GLY 4 GLN 5 LYS 6 THR 7 LEU 8 TYR 9 SER 10 PHE 11 PHE 12 SER 13 PRO 14 SER 15 PRO 16 ALA 17 ARG 18 LYS 19 ARG 20 HIS 21 ALA 22 PRO 23 SER 24 PRO 25 GLU 26 PRO 27 ALA 28 VAL 29 GLN 30 GLY 31 THR 32 GLY 33 VAL 34 ALA 35 GLY 36 VAL 37 PRO 38 GLU 39 GLU 40 SER 41 GLY 42 ASP 43 ALA 44 ALA 45 ALA 46 ILE 47 PRO 48 ALA 49 LYS 50 LYS 51 ALA 52 PRO 53 ALA 54 GLY 55 GLN 56 GLU 57 GLU 58 PRO 59 GLY 60 THR 61 PRO 62 PRO 63 SER 64 SER 65 PRO 66 LEU 67 SER 68 ALA 69 GLU 70 GLN 71 LEU 72 ASP 73 ARG 74 ILE 75 GLN 76 ARG 77 ASN 78 LYS 79 ALA 80 ALA 81 ALA 82 LEU 83 LEU 84 ARG 85 LEU 86 ALA 87 ALA 88 ARG 89 ASN 90 VAL 91 PRO 92 VAL 93 ALA 94 ALA 95 ALA 96 GLY 97 SER 98 GLU 99 GLN 100 LYS 101 LEU 102 ILE 103 SER 104 GLU 105 GLU 106 ASP 107 LEU 108 LYS 109 ALA 110 SER 111 GLY 112 ALA 113 ASP 114 HIS 115 HIS 116 HIS 117 HIS 118 HIS 119 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_CUNG2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CUNG2 _Molecular_mass . _Mol_thiol_state unknown _Details . _Residue_count 246 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MIEGRCFGESWKKHLSGEFG KPYFIKLMGFVAEERKHYTV YPPPHQVFTWTQMCDIKDVK VVILGQDPYHGPNQAHGLCF SVQRPVPPPPSLENIYKELS TDIEDFVHPGHGDLSGWAKQ GVLLLNAVLTVRAHQANSHK ERGWEQFTDAVVSWLNQNSN GLVFLLWGSYAQKKGSAIDR KRHHVLQTAHPSPLSVYRGF FGCRHFSKTNELLQKSGKKP IDWKEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ILE 23 GLU 24 GLY 25 ARG 26 CYS 27 PHE 28 GLY 29 GLU 30 SER 31 TRP 32 LYS 33 LYS 34 HIS 35 LEU 36 SER 37 GLY 38 GLU 39 PHE 40 GLY 41 LYS 42 PRO 43 TYR 44 PHE 45 ILE 46 LYS 47 LEU 48 MET 49 GLY 50 PHE 51 VAL 52 ALA 53 GLU 54 GLU 55 ARG 56 LYS 57 HIS 58 TYR 59 THR 60 VAL 61 TYR 62 PRO 63 PRO 64 PRO 65 HIS 66 GLN 67 VAL 68 PHE 69 THR 70 TRP 71 THR 72 GLN 73 MET 74 CYS 75 ASP 76 ILE 77 LYS 78 ASP 79 VAL 80 LYS 81 VAL 82 VAL 83 ILE 84 LEU 85 GLY 86 GLN 87 ASP 88 PRO 89 TYR 90 HIS 91 GLY 92 PRO 93 ASN 94 GLN 95 ALA 96 HIS 97 GLY 98 LEU 99 CYS 100 PHE 101 SER 102 VAL 103 GLN 104 ARG 105 PRO 106 VAL 107 PRO 108 PRO 109 PRO 110 PRO 111 SER 112 LEU 113 GLU 114 ASN 115 ILE 116 TYR 117 LYS 118 GLU 119 LEU 120 SER 121 THR 122 ASP 123 ILE 124 GLU 125 ASP 126 PHE 127 VAL 128 HIS 129 PRO 130 GLY 131 HIS 132 GLY 133 ASP 134 LEU 135 SER 136 GLY 137 TRP 138 ALA 139 LYS 140 GLN 141 GLY 142 VAL 143 LEU 144 LEU 145 LEU 146 ASN 147 ALA 148 VAL 149 LEU 150 THR 151 VAL 152 ARG 153 ALA 154 HIS 155 GLN 156 ALA 157 ASN 158 SER 159 HIS 160 LYS 161 GLU 162 ARG 163 GLY 164 TRP 165 GLU 166 GLN 167 PHE 168 THR 169 ASP 170 ALA 171 VAL 172 VAL 173 SER 174 TRP 175 LEU 176 ASN 177 GLN 178 ASN 179 SER 180 ASN 181 GLY 182 LEU 183 VAL 184 PHE 185 LEU 186 LEU 187 TRP 188 GLY 189 SER 190 TYR 191 ALA 192 GLN 193 LYS 194 LYS 195 GLY 196 SER 197 ALA 198 ILE 199 ASP 200 ARG 201 LYS 202 ARG 203 HIS 204 HIS 205 VAL 206 LEU 207 GLN 208 THR 209 ALA 210 HIS 211 PRO 212 SER 213 PRO 214 LEU 215 SER 216 VAL 217 TYR 218 ARG 219 GLY 220 PHE 221 PHE 222 GLY 223 CYS 224 ARG 225 HIS 226 PHE 227 SER 228 LYS 229 THR 230 ASN 231 GLU 232 LEU 233 LEU 234 GLN 235 LYS 236 SER 237 GLY 238 LYS 239 LYS 240 PRO 241 ILE 242 ASP 243 TRP 244 LYS 245 GLU 246 LEU 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 $NUNG2 Human 9606 Eukaryota Metazoa Homo sapiens $CUNG2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $NUNG2 'recombinant technology' . Escherichia coli . 'pTYB12 and pVB-1A0B1' $CUNG2 'recombinant technology' . Escherichia coli . pET28a 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 $NUNG2 0.2 mM '[U-95% 13C; U-95% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'Complete protease inhibitor' 2 uL 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NUNG2 0.3 mM 0.1 0.5 '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' 'Complete protease inhibitor' 2 uL . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CUNG2 0.5 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'Complete protease inhibitor' 2 uL 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CUNG2 0.5 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' 'Complete protease inhibitor' 2 uL 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wutrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance I' _Field_strength 600 _Details . save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_2D_CON_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_2 save_ save_2D_CAN_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CAN' _Sample_label $sample_2 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_28 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHANH_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_HNCO_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HNCA_33 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HN(CO)CA_34 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_4 save_ save_3D_HNCACB_35 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_36 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 . 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 pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.75 internal indirect . . . 0.25144953 water H 1 protons ppm 4.75 internal direct . . . 1 water N 15 protons ppm 4.75 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D HBHANH' '3D 1H-15N NOESY' '3D HN(CO)CA' '2D CON' '2D CAN' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal UNG2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.879 0.020 1 2 1 1 MET HB2 H 2.005 0.020 2 3 1 1 MET HB3 H 1.973 0.020 2 4 1 1 MET HG2 H 2.505 0.020 2 5 1 1 MET HG3 H 2.489 0.020 2 6 1 1 MET HE H 2.021 0.020 1 7 1 1 MET C C 175.527 0.3 1 8 1 1 MET CA C 55.302 0.3 1 9 1 1 MET CB C 33.900 0.3 1 10 1 1 MET CG C 31.152 0.3 1 11 1 1 MET CE C 16.558 0.3 1 12 2 2 ILE H H 8.280 0.020 1 13 2 2 ILE HA H 4.112 0.020 1 14 2 2 ILE HB H 1.808 0.020 1 15 2 2 ILE HG12 H 1.453 0.020 2 16 2 2 ILE HG13 H 1.151 0.020 2 17 2 2 ILE HG2 H 0.869 0.020 1 18 2 2 ILE HD1 H 0.810 0.020 1 19 2 2 ILE C C 176.431 0.3 1 20 2 2 ILE CA C 61.369 0.3 1 21 2 2 ILE CB C 38.222 0.3 1 22 2 2 ILE CG1 C 27.041 0.3 1 23 2 2 ILE CG2 C 17.168 0.3 1 24 2 2 ILE CD1 C 12.605 0.3 1 25 2 2 ILE N N 124.294 0.3 1 26 3 3 GLY H H 8.545 0.020 1 27 3 3 GLY HA2 H 3.913 0.020 2 28 3 3 GLY HA3 H 3.851 0.020 2 29 3 3 GLY C C 173.797 0.3 1 30 3 3 GLY CA C 45.037 0.3 1 31 3 3 GLY N N 114.482 0.3 1 32 4 4 GLN H H 8.190 0.020 1 33 4 4 GLN HA H 4.229 0.020 1 34 4 4 GLN HB2 H 2.077 0.020 2 35 4 4 GLN HB3 H 1.929 0.020 2 36 4 4 GLN HG2 H 2.293 0.020 2 37 4 4 GLN HG3 H 2.256 0.020 2 38 4 4 GLN C C 175.962 0.3 1 39 4 4 GLN CA C 55.692 0.3 1 40 4 4 GLN CB C 29.182 0.3 1 41 4 4 GLN CG C 33.491 0.3 1 42 4 4 GLN N N 121.094 0.3 1 43 5 5 LYS H H 8.448 0.020 1 44 5 5 LYS HA H 4.263 0.020 1 45 5 5 LYS HB2 H 1.743 0.020 2 46 5 5 LYS HB3 H 1.720 0.020 2 47 5 5 LYS HG2 H 1.394 0.020 2 48 5 5 LYS HG3 H 1.346 0.020 2 49 5 5 LYS HD2 H 1.639 0.020 2 50 5 5 LYS HD3 H 1.620 0.020 2 51 5 5 LYS HE2 H 2.926 0.020 2 52 5 5 LYS HE3 H 2.896 0.020 2 53 5 5 LYS C C 176.507 0.3 1 54 5 5 LYS CA C 56.405 0.3 1 55 5 5 LYS CB C 32.718 0.3 1 56 5 5 LYS CG C 24.600 0.3 1 57 5 5 LYS CD C 28.404 0.3 1 58 5 5 LYS CE C 41.860 0.3 1 59 5 5 LYS N N 124.115 0.3 1 60 6 6 THR H H 8.122 0.020 1 61 6 6 THR HA H 4.190 0.020 1 62 6 6 THR HB H 4.044 0.020 1 63 6 6 THR HG2 H 1.034 0.020 1 64 6 6 THR C C 173.969 0.3 1 65 6 6 THR CA C 61.814 0.3 1 66 6 6 THR CB C 69.765 0.3 1 67 6 6 THR CG2 C 21.370 0.3 1 68 6 6 THR N N 117.364 0.3 1 69 7 7 LEU H H 8.196 0.020 1 70 7 7 LEU HA H 4.206 0.020 1 71 7 7 LEU HB2 H 1.391 0.020 2 72 7 7 LEU HB3 H 1.332 0.020 2 73 7 7 LEU HG H 1.418 0.020 1 74 7 7 LEU HD1 H 0.799 0.020 1 75 7 7 LEU HD2 H 0.737 0.020 1 76 7 7 LEU C C 176.683 0.3 1 77 7 7 LEU CA C 55.057 0.3 1 78 7 7 LEU CB C 42.165 0.3 1 79 7 7 LEU CG C 26.858 0.3 1 80 7 7 LEU CD1 C 24.427 0.3 1 81 7 7 LEU CD2 C 23.281 0.3 1 82 7 7 LEU N N 125.942 0.3 1 83 8 8 TYR H H 8.060 0.020 1 84 8 8 TYR HA H 4.487 0.020 1 85 8 8 TYR HB2 H 2.928 0.020 2 86 8 8 TYR HB3 H 2.772 0.020 2 87 8 8 TYR C C 175.514 0.3 1 88 8 8 TYR CA C 57.262 0.3 1 89 8 8 TYR CB C 38.489 0.3 1 90 8 8 TYR N N 121.752 0.3 1 91 9 9 SER H H 8.004 0.020 1 92 9 9 SER HA H 4.306 0.020 1 93 9 9 SER HB2 H 3.692 0.020 2 94 9 9 SER HB3 H 3.612 0.020 2 95 9 9 SER C C 173.536 0.3 1 96 9 9 SER CA C 57.825 0.3 1 97 9 9 SER CB C 63.961 0.3 1 98 9 9 SER N N 118.212 0.3 1 99 10 10 PHE H H 8.028 0.020 1 100 10 10 PHE HA H 4.530 0.020 1 101 10 10 PHE HB2 H 2.932 0.020 2 102 10 10 PHE HB3 H 2.880 0.020 2 103 10 10 PHE C C 174.934 0.3 1 104 10 10 PHE CA C 57.771 0.3 1 105 10 10 PHE CB C 39.430 0.3 1 106 10 10 PHE N N 123.061 0.3 1 107 11 11 PHE H H 8.036 0.020 1 108 11 11 PHE HA H 4.515 0.020 1 109 11 11 PHE HB2 H 2.923 0.020 2 110 11 11 PHE HB3 H 2.895 0.020 2 111 11 11 PHE C C 174.752 0.3 1 112 11 11 PHE CA C 57.330 0.3 1 113 11 11 PHE CB C 39.099 0.3 1 114 11 11 PHE N N 122.689 0.3 1 115 12 12 SER H H 8.031 0.020 1 116 12 12 SER HA H 4.568 0.020 1 117 12 12 SER HB2 H 3.735 0.020 2 118 12 12 SER HB3 H 3.649 0.020 2 119 12 12 SER C C 171.878 0.3 1 120 12 12 SER CA C 55.646 0.3 1 121 12 12 SER CB C 63.276 0.3 1 122 12 12 SER N N 120.590 0.3 1 123 13 13 PRO HA H 4.337 0.020 1 124 13 13 PRO HB2 H 2.226 0.020 2 125 13 13 PRO HB3 H 1.851 0.020 2 126 13 13 PRO HG2 H 1.972 0.020 2 127 13 13 PRO HG3 H 1.920 0.020 2 128 13 13 PRO HD2 H 3.741 0.020 2 129 13 13 PRO HD3 H 3.556 0.020 2 130 13 13 PRO C C 176.487 0.3 1 131 13 13 PRO CA C 62.918 0.3 1 132 13 13 PRO CB C 31.871 0.3 1 133 13 13 PRO CG C 27.168 0.3 1 134 13 13 PRO CD C 50.307 0.3 1 135 13 13 PRO N N 138.610 0.3 1 136 14 14 SER H H 8.357 0.020 1 137 14 14 SER HA H 4.684 0.020 1 138 14 14 SER HB2 H 3.824 0.020 2 139 14 14 SER HB3 H 3.789 0.020 2 140 14 14 SER C C 172.714 0.3 1 141 14 14 SER CA C 56.230 0.3 1 142 14 14 SER CB C 63.574 0.3 1 143 14 14 SER N N 118.775 0.3 1 144 15 15 PRO HA H 4.304 0.020 1 145 15 15 PRO HB2 H 2.222 0.020 2 146 15 15 PRO HB3 H 1.834 0.020 2 147 15 15 PRO HG2 H 1.958 0.020 2 148 15 15 PRO HG3 H 1.921 0.020 2 149 15 15 PRO HD2 H 3.743 0.020 2 150 15 15 PRO HD3 H 3.555 0.020 2 151 15 15 PRO C C 176.585 0.3 1 152 15 15 PRO CA C 63.164 0.3 1 153 15 15 PRO CB C 31.416 0.3 1 154 15 15 PRO CG C 27.122 0.3 1 155 15 15 PRO CD C 50.401 0.3 1 156 15 15 PRO N N 139.340 0.3 1 157 16 16 ALA H H 8.256 0.020 1 158 16 16 ALA HA H 4.195 0.020 1 159 16 16 ALA HB H 1.296 0.020 1 160 16 16 ALA C C 177.676 0.3 1 161 16 16 ALA CA C 52.409 0.3 1 162 16 16 ALA CB C 18.654 0.3 1 163 16 16 ALA N N 124.960 0.3 1 164 17 17 ARG H H 8.177 0.020 1 165 17 17 ARG HA H 4.217 0.020 1 166 17 17 ARG HB2 H 1.727 0.020 2 167 17 17 ARG HB3 H 1.702 0.020 2 168 17 17 ARG HG2 H 1.632 0.020 2 169 17 17 ARG HG3 H 1.586 0.020 2 170 17 17 ARG HD2 H 2.929 0.020 2 171 17 17 ARG HD3 H 2.902 0.020 2 172 17 17 ARG C C 176.080 0.3 1 173 17 17 ARG CA C 55.782 0.3 1 174 17 17 ARG CB C 32.889 0.3 1 175 17 17 ARG CG C 28.843 0.3 1 176 17 17 ARG CD C 41.920 0.3 1 177 17 17 ARG N N 121.437 0.3 1 178 18 18 LYS H H 8.271 0.020 1 179 18 18 LYS HA H 4.194 0.020 1 180 18 18 LYS HB2 H 1.962 0.020 2 181 18 18 LYS HB3 H 1.865 0.020 2 182 18 18 LYS HG2 H 1.385 0.020 2 183 18 18 LYS HG3 H 1.337 0.020 2 184 18 18 LYS HD2 H 1.646 0.020 2 185 18 18 LYS HD3 H 1.613 0.020 2 186 18 18 LYS HE2 H 2.940 0.020 2 187 18 18 LYS HE3 H 2.897 0.020 2 188 18 18 LYS C C 176.157 0.3 1 189 18 18 LYS CA C 56.070 0.3 1 190 18 18 LYS CB C 32.113 0.3 1 191 18 18 LYS CG C 24.485 0.3 1 192 18 18 LYS CD C 28.727 0.3 1 193 18 18 LYS CE C 41.894 0.3 1 194 18 18 LYS N N 124.172 0.3 1 195 19 19 ARG H H 8.344 0.020 1 196 19 19 ARG HA H 4.225 0.020 1 197 19 19 ARG HB2 H 1.740 0.020 2 198 19 19 ARG HB3 H 1.675 0.020 2 199 19 19 ARG HG2 H 1.574 0.020 2 200 19 19 ARG HG3 H 1.531 0.020 2 201 19 19 ARG HD2 H 3.134 0.020 2 202 19 19 ARG HD3 H 3.107 0.020 2 203 19 19 ARG C C 175.880 0.3 1 204 19 19 ARG CA C 55.506 0.3 1 205 19 19 ARG CB C 30.537 0.3 1 206 19 19 ARG CG C 27.074 0.3 1 207 19 19 ARG CD C 43.132 0.3 1 208 19 19 ARG N N 123.816 0.3 1 209 20 20 HIS H H 8.540 0.020 1 210 20 20 HIS HA H 4.479 0.020 1 211 20 20 HIS HB2 H 3.131 0.020 2 212 20 20 HIS HB3 H 3.087 0.020 2 213 20 20 HIS CA C 54.999 0.3 1 214 20 20 HIS CB C 29.270 0.3 1 215 20 20 HIS N N 121.822 0.3 1 216 21 21 ALA H H 8.196 0.020 1 217 21 21 ALA HA H 4.510 0.020 1 218 21 21 ALA HB H 1.266 0.020 1 219 21 21 ALA C C 174.970 0.3 1 220 21 21 ALA CA C 50.212 0.3 1 221 21 21 ALA CB C 18.383 0.3 1 222 21 21 ALA N N 128.034 0.3 1 223 22 22 PRO HA H 4.330 0.020 1 224 22 22 PRO HB2 H 2.218 0.020 2 225 22 22 PRO HB3 H 1.841 0.020 2 226 22 22 PRO HG2 H 1.962 0.020 2 227 22 22 PRO HG3 H 1.917 0.020 2 228 22 22 PRO HD2 H 3.740 0.020 2 229 22 22 PRO HD3 H 3.619 0.020 2 230 22 22 PRO C C 176.560 0.3 1 231 22 22 PRO CA C 62.915 0.3 1 232 22 22 PRO CB C 31.793 0.3 1 233 22 22 PRO CG C 27.122 0.3 1 234 22 22 PRO CD C 50.476 0.3 1 235 22 22 PRO N N 136.312 0.3 1 236 23 23 SER H H 8.315 0.020 1 237 23 23 SER HA H 4.633 0.020 1 238 23 23 SER HB2 H 3.782 0.020 2 239 23 23 SER HB3 H 3.738 0.020 2 240 23 23 SER C C 172.587 0.3 1 241 23 23 SER CA C 56.291 0.3 1 242 23 23 SER CB C 63.422 0.3 1 243 23 23 SER N N 118.531 0.3 1 244 24 24 PRO HA H 4.322 0.020 1 245 24 24 PRO HB2 H 2.229 0.020 2 246 24 24 PRO HB3 H 1.823 0.020 2 247 24 24 PRO HG2 H 1.966 0.020 2 248 24 24 PRO HG3 H 1.913 0.020 2 249 24 24 PRO HD2 H 3.740 0.020 2 250 24 24 PRO HD3 H 3.623 0.020 2 251 24 24 PRO C C 176.546 0.3 1 252 24 24 PRO CA C 63.002 0.3 1 253 24 24 PRO CB C 31.642 0.3 1 254 24 24 PRO CG C 27.047 0.3 1 255 24 24 PRO CD C 50.401 0.3 1 256 24 24 PRO N N 138.571 0.3 1 257 25 25 GLU H H 8.360 0.020 1 258 25 25 GLU HA H 4.458 0.020 1 259 25 25 GLU HB2 H 1.961 0.020 2 260 25 25 GLU HB3 H 1.800 0.020 2 261 25 25 GLU HG2 H 2.233 0.020 2 262 25 25 GLU HG3 H 2.211 0.020 2 263 25 25 GLU C C 174.440 0.3 1 264 25 25 GLU CA C 54.270 0.3 1 265 25 25 GLU CB C 29.416 0.3 1 266 25 25 GLU CG C 35.683 0.3 1 267 25 25 GLU N N 123.782 0.3 1 268 26 26 PRO HA H 4.311 0.020 1 269 26 26 PRO HB2 H 2.211 0.020 2 270 26 26 PRO HB3 H 1.823 0.020 2 271 26 26 PRO HG2 H 1.958 0.020 2 272 26 26 PRO HG3 H 1.917 0.020 2 273 26 26 PRO HD2 H 3.740 0.020 2 274 26 26 PRO HD3 H 3.619 0.020 2 275 26 26 PRO C C 176.493 0.3 1 276 26 26 PRO CA C 62.865 0.3 1 277 26 26 PRO CB C 31.717 0.3 1 278 26 26 PRO CG C 27.122 0.3 1 279 26 26 PRO CD C 50.326 0.3 1 280 26 26 PRO N N 138.427 0.3 1 281 27 27 ALA H H 8.347 0.020 1 282 27 27 ALA HA H 4.263 0.020 1 283 27 27 ALA HB H 1.308 0.020 1 284 27 27 ALA C C 177.707 0.3 1 285 27 27 ALA CA C 52.313 0.3 1 286 27 27 ALA CB C 18.997 0.3 1 287 27 27 ALA N N 125.336 0.3 1 288 28 28 VAL H H 8.062 0.020 1 289 28 28 VAL HA H 4.023 0.020 1 290 28 28 VAL HB H 1.986 0.020 1 291 28 28 VAL HG1 H 0.868 0.020 1 292 28 28 VAL HG2 H 0.853 0.020 1 293 28 28 VAL C C 176.139 0.3 1 294 28 28 VAL CA C 62.120 0.3 1 295 28 28 VAL CB C 32.461 0.3 1 296 28 28 VAL CG1 C 20.895 0.3 1 297 28 28 VAL CG2 C 20.367 0.3 1 298 28 28 VAL N N 120.582 0.3 1 299 29 29 GLN H H 8.449 0.020 1 300 29 29 GLN HA H 4.286 0.020 1 301 29 29 GLN HB2 H 2.016 0.020 2 302 29 29 GLN HB3 H 1.918 0.020 2 303 29 29 GLN HG2 H 2.315 0.020 2 304 29 29 GLN HG3 H 2.258 0.020 2 305 29 29 GLN C C 176.302 0.3 1 306 29 29 GLN CA C 55.889 0.3 1 307 29 29 GLN CB C 29.202 0.3 1 308 29 29 GLN CG C 33.550 0.3 1 309 29 29 GLN N N 125.435 0.3 1 310 30 30 GLY H H 8.457 0.020 1 311 30 30 GLY HA2 H 3.977 0.020 2 312 30 30 GLY HA3 H 3.941 0.020 2 313 30 30 GLY C C 174.245 0.3 1 314 30 30 GLY CA C 45.161 0.3 1 315 30 30 GLY N N 111.664 0.3 1 316 31 31 THR H H 8.123 0.020 1 317 31 31 THR HA H 4.309 0.020 1 318 31 31 THR HB H 4.172 0.020 1 319 31 31 THR HG2 H 1.138 0.020 1 320 31 31 THR C C 175.242 0.3 1 321 31 31 THR CA C 61.854 0.3 1 322 31 31 THR CB C 69.851 0.3 1 323 31 31 THR CG2 C 21.175 0.3 1 324 31 31 THR N N 113.976 0.3 1 325 32 32 GLY H H 8.457 0.020 1 326 32 32 GLY HA2 H 3.930 0.020 2 327 32 32 GLY HA3 H 3.889 0.020 2 328 32 32 GLY C C 173.955 0.3 1 329 32 32 GLY CA C 45.183 0.3 1 330 32 32 GLY N N 112.502 0.3 1 331 33 33 VAL H H 7.964 0.020 1 332 33 33 VAL HA H 4.046 0.020 1 333 33 33 VAL HB H 1.984 0.020 1 334 33 33 VAL HG1 H 0.896 0.020 1 335 33 33 VAL HG2 H 0.859 0.020 1 336 33 33 VAL C C 175.831 0.3 1 337 33 33 VAL CA C 62.006 0.3 1 338 33 33 VAL CB C 32.375 0.3 1 339 33 33 VAL CG1 C 20.660 0.3 1 340 33 33 VAL CG2 C 20.308 0.3 1 341 33 33 VAL N N 120.560 0.3 1 342 34 34 ALA H H 8.407 0.020 1 343 34 34 ALA HA H 4.293 0.020 1 344 34 34 ALA HB H 1.331 0.020 1 345 34 34 ALA C C 177.943 0.3 1 346 34 34 ALA CA C 52.408 0.3 1 347 34 34 ALA CB C 19.068 0.3 1 348 34 34 ALA N N 129.055 0.3 1 349 35 35 GLY H H 8.278 0.020 1 350 35 35 GLY HA2 H 3.895 0.020 2 351 35 35 GLY HA3 H 3.841 0.020 2 352 35 35 GLY C C 173.629 0.3 1 353 35 35 GLY CA C 44.913 0.3 1 354 35 35 GLY N N 109.531 0.3 1 355 36 36 VAL H H 7.954 0.020 1 356 36 36 VAL HA H 4.378 0.020 1 357 36 36 VAL HB H 2.042 0.020 1 358 36 36 VAL HG1 H 0.901 0.020 1 359 36 36 VAL HG2 H 0.841 0.020 1 360 36 36 VAL C C 174.553 0.3 1 361 36 36 VAL CA C 59.659 0.3 1 362 36 36 VAL CB C 32.118 0.3 1 363 36 36 VAL CG1 C 21.050 0.3 1 364 36 36 VAL CG2 C 19.913 0.3 1 365 36 36 VAL N N 121.693 0.3 1 366 37 37 PRO HA H 4.335 0.020 1 367 37 37 PRO HB2 H 2.226 0.020 2 368 37 37 PRO HB3 H 1.838 0.020 2 369 37 37 PRO HG2 H 1.970 0.020 2 370 37 37 PRO HG3 H 1.921 0.020 2 371 37 37 PRO HD2 H 3.808 0.020 2 372 37 37 PRO HD3 H 3.627 0.020 2 373 37 37 PRO C C 176.882 0.3 1 374 37 37 PRO CA C 63.253 0.3 1 375 37 37 PRO CB C 31.642 0.3 1 376 37 37 PRO CG C 27.197 0.3 1 377 37 37 PRO CD C 50.476 0.3 1 378 37 37 PRO N N 140.806 0.3 1 379 38 38 GLU H H 8.541 0.020 1 380 38 38 GLU HA H 4.172 0.020 1 381 38 38 GLU HB2 H 1.949 0.020 2 382 38 38 GLU HB3 H 1.869 0.020 2 383 38 38 GLU HG2 H 2.237 0.020 2 384 38 38 GLU HG3 H 2.199 0.020 2 385 38 38 GLU C C 176.601 0.3 1 386 38 38 GLU CA C 56.760 0.3 1 387 38 38 GLU CB C 29.989 0.3 1 388 38 38 GLU CG C 36.224 0.3 1 389 38 38 GLU N N 122.453 0.3 1 390 39 39 GLU H H 8.441 0.020 1 391 39 39 GLU HA H 4.275 0.020 1 392 39 39 GLU HB2 H 2.007 0.020 2 393 39 39 GLU HB3 H 1.892 0.020 2 394 39 39 GLU HG2 H 2.192 0.020 2 395 39 39 GLU HG3 H 2.179 0.020 2 396 39 39 GLU C C 176.402 0.3 1 397 39 39 GLU CA C 56.362 0.3 1 398 39 39 GLU CB C 30.053 0.3 1 399 39 39 GLU CG C 35.915 0.3 1 400 39 39 GLU N N 123.196 0.3 1 401 40 40 SER H H 8.367 0.020 1 402 40 40 SER HA H 4.389 0.020 1 403 40 40 SER HB2 H 3.850 0.020 2 404 40 40 SER HB3 H 3.805 0.020 2 405 40 40 SER C C 175.070 0.3 1 406 40 40 SER CA C 58.425 0.3 1 407 40 40 SER CB C 63.848 0.3 1 408 40 40 SER N N 118.130 0.3 1 409 41 41 GLY H H 8.419 0.020 1 410 41 41 GLY HA2 H 3.943 0.020 2 411 41 41 GLY HA3 H 3.861 0.020 2 412 41 41 GLY C C 173.955 0.3 1 413 41 41 GLY CA C 45.271 0.3 1 414 41 41 GLY N N 112.116 0.3 1 415 42 42 ASP H H 8.205 0.020 1 416 42 42 ASP HA H 4.515 0.020 1 417 42 42 ASP HB2 H 2.625 0.020 2 418 42 42 ASP HB3 H 2.545 0.020 2 419 42 42 ASP C C 176.393 0.3 1 420 42 42 ASP CA C 54.310 0.3 1 421 42 42 ASP CB C 40.865 0.3 1 422 42 42 ASP N N 121.817 0.3 1 423 43 43 ALA H H 8.253 0.020 1 424 43 43 ALA HA H 4.172 0.020 1 425 43 43 ALA HB H 1.331 0.020 1 426 43 43 ALA C C 177.616 0.3 1 427 43 43 ALA CA C 52.865 0.3 1 428 43 43 ALA CB C 18.483 0.3 1 429 43 43 ALA N N 125.928 0.3 1 430 44 44 ALA H H 8.089 0.020 1 431 44 44 ALA HA H 4.213 0.020 1 432 44 44 ALA HB H 1.306 0.020 1 433 44 44 ALA C C 177.390 0.3 1 434 44 44 ALA CA C 52.172 0.3 1 435 44 44 ALA CB C 18.815 0.3 1 436 44 44 ALA N N 123.045 0.3 1 437 45 45 ALA H H 7.956 0.020 1 438 45 45 ALA HA H 4.229 0.020 1 439 45 45 ALA HB H 1.296 0.020 1 440 45 45 ALA C C 177.372 0.3 1 441 45 45 ALA CA C 52.162 0.3 1 442 45 45 ALA CB C 18.905 0.3 1 443 45 45 ALA N N 123.809 0.3 1 444 46 46 ILE H H 7.993 0.020 1 445 46 46 ILE HA H 4.343 0.020 1 446 46 46 ILE HB H 1.789 0.020 1 447 46 46 ILE HG12 H 1.126 0.020 2 448 46 46 ILE HG13 H 1.071 0.020 2 449 46 46 ILE HG2 H 0.873 0.020 1 450 46 46 ILE HD1 H 0.797 0.020 1 451 46 46 ILE C C 174.581 0.3 1 452 46 46 ILE CA C 58.687 0.3 1 453 46 46 ILE CB C 38.121 0.3 1 454 46 46 ILE CG1 C 26.887 0.3 1 455 46 46 ILE CG2 C 16.852 0.3 1 456 46 46 ILE CD1 C 12.528 0.3 1 457 46 46 ILE N N 122.859 0.3 1 458 47 47 PRO HA H 4.307 0.020 1 459 47 47 PRO HB2 H 2.226 0.020 2 460 47 47 PRO HB3 H 1.834 0.020 2 461 47 47 PRO HG2 H 1.973 0.020 2 462 47 47 PRO HG3 H 1.928 0.020 2 463 47 47 PRO HD2 H 3.815 0.020 2 464 47 47 PRO HD3 H 3.627 0.020 2 465 47 47 PRO C C 176.520 0.3 1 466 47 47 PRO CA C 63.138 0.3 1 467 47 47 PRO CB C 31.793 0.3 1 468 47 47 PRO CG C 27.122 0.3 1 469 47 47 PRO CD C 50.778 0.3 1 470 47 47 PRO N N 141.311 0.3 1 471 48 48 ALA H H 8.285 0.020 1 472 48 48 ALA HA H 4.195 0.020 1 473 48 48 ALA HB H 1.308 0.020 1 474 48 48 ALA C C 177.689 0.3 1 475 48 48 ALA CA C 52.262 0.3 1 476 48 48 ALA CB C 18.909 0.3 1 477 48 48 ALA N N 125.472 0.3 1 478 49 49 LYS H H 8.236 0.020 1 479 49 49 LYS HA H 4.229 0.020 1 480 49 49 LYS HB2 H 1.766 0.020 2 481 49 49 LYS HB3 H 1.686 0.020 2 482 49 49 LYS HD2 H 1.619 0.020 2 483 49 49 LYS HD3 H 1.593 0.020 2 484 49 49 LYS HG2 H 1.370 0.020 2 485 49 49 LYS HG3 H 1.330 0.020 2 486 49 49 LYS HE2 H 2.931 0.020 2 487 49 49 LYS HE3 H 2.906 0.020 2 488 49 49 LYS C C 176.293 0.3 1 489 49 49 LYS CA C 55.954 0.3 1 490 49 49 LYS CB C 32.718 0.3 1 491 49 49 LYS CD C 28.817 0.3 1 492 49 49 LYS CG C 24.474 0.3 1 493 49 49 LYS CE C 41.961 0.3 1 494 49 49 LYS N N 122.105 0.3 1 495 50 50 LYS H H 8.301 0.020 1 496 50 50 LYS HA H 4.229 0.020 1 497 50 50 LYS HB2 H 1.699 0.020 2 498 50 50 LYS HB3 H 1.647 0.020 2 499 50 50 LYS HD2 H 1.613 0.020 2 500 50 50 LYS HD3 H 1.587 0.020 2 501 50 50 LYS HG2 H 1.368 0.020 2 502 50 50 LYS HG3 H 1.324 0.020 2 503 50 50 LYS HE2 H 2.929 0.020 2 504 50 50 LYS HE3 H 2.903 0.020 2 505 50 50 LYS C C 175.750 0.3 1 506 50 50 LYS CA C 55.763 0.3 1 507 50 50 LYS CB C 32.879 0.3 1 508 50 50 LYS CD C 28.875 0.3 1 509 50 50 LYS CG C 24.474 0.3 1 510 50 50 LYS CE C 41.963 0.3 1 511 50 50 LYS N N 124.691 0.3 1 512 51 51 ALA H H 8.383 0.020 1 513 51 51 ALA HA H 4.492 0.020 1 514 51 51 ALA HB H 1.285 0.020 1 515 51 51 ALA C C 175.342 0.3 1 516 51 51 ALA CA C 50.375 0.3 1 517 51 51 ALA CB C 17.711 0.3 1 518 51 51 ALA N N 128.543 0.3 1 519 52 52 PRO HA H 4.320 0.020 1 520 52 52 PRO HB2 H 2.226 0.020 2 521 52 52 PRO HB3 H 1.834 0.020 2 522 52 52 PRO HG2 H 1.973 0.020 2 523 52 52 PRO HG3 H 1.924 0.020 2 524 52 52 PRO HD2 H 3.751 0.020 2 525 52 52 PRO HD3 H 3.615 0.020 2 526 52 52 PRO C C 176.426 0.3 1 527 52 52 PRO CA C 62.864 0.3 1 528 52 52 PRO CB C 31.642 0.3 1 529 52 52 PRO CG C 27.047 0.3 1 530 52 52 PRO CD C 50.476 0.3 1 531 52 52 PRO N N 136.817 0.3 1 532 53 53 ALA H H 8.367 0.020 1 533 53 53 ALA HA H 4.286 0.020 1 534 53 53 ALA HB H 1.331 0.020 1 535 53 53 ALA C C 178.269 0.3 1 536 53 53 ALA CA C 52.487 0.3 1 537 53 53 ALA CB C 18.992 0.3 1 538 53 53 ALA N N 125.516 0.3 1 539 54 54 GLY H H 8.449 0.020 1 540 54 54 GLY HA2 H 3.917 0.020 2 541 54 54 GLY HA3 H 3.870 0.020 2 542 54 54 GLY C C 174.028 0.3 1 543 54 54 GLY CA C 45.096 0.3 1 544 54 54 GLY N N 110.003 0.3 1 545 55 55 GLN H H 8.160 0.020 1 546 55 55 GLN HA H 4.321 0.020 1 547 55 55 GLN HB2 H 2.078 0.020 2 548 55 55 GLN HB3 H 1.884 0.020 2 549 55 55 GLN HG2 H 2.273 0.020 2 550 55 55 GLN HG3 H 2.257 0.020 2 551 55 55 GLN C C 175.596 0.3 1 552 55 55 GLN CA C 55.475 0.3 1 553 55 55 GLN CB C 29.202 0.3 1 554 55 55 GLN CG C 33.629 0.3 1 555 55 55 GLN N N 120.835 0.3 1 556 56 56 GLU H H 8.522 0.020 1 557 56 56 GLU HA H 4.224 0.020 1 558 56 56 GLU HB2 H 1.932 0.020 2 559 56 56 GLU HB3 H 1.866 0.020 2 560 56 56 GLU HG2 H 2.245 0.020 2 561 56 56 GLU HG3 H 2.214 0.020 2 562 56 56 GLU C C 176.139 0.3 1 563 56 56 GLU CA C 56.413 0.3 1 564 56 56 GLU CB C 29.989 0.3 1 565 56 56 GLU CG C 36.147 0.3 1 566 56 56 GLU N N 123.395 0.3 1 567 57 57 GLU H H 8.457 0.020 1 568 57 57 GLU HA H 4.538 0.020 1 569 57 57 GLU HB2 H 1.961 0.020 2 570 57 57 GLU HB3 H 1.812 0.020 2 571 57 57 GLU HG2 H 2.271 0.020 2 572 57 57 GLU HG3 H 2.207 0.020 2 573 57 57 GLU C C 174.653 0.3 1 574 57 57 GLU CA C 54.143 0.3 1 575 57 57 GLU CB C 29.453 0.3 1 576 57 57 GLU CG C 35.408 0.3 1 577 57 57 GLU N N 124.701 0.3 1 578 58 58 PRO HA H 4.384 0.020 1 579 58 58 PRO HB2 H 2.256 0.020 2 580 58 58 PRO HB3 H 1.898 0.020 2 581 58 58 PRO HG2 H 1.992 0.020 2 582 58 58 PRO HG3 H 1.958 0.020 2 583 58 58 PRO HD2 H 3.664 0.020 2 584 58 58 PRO HD3 H 3.600 0.020 2 585 58 58 PRO C C 177.437 0.3 1 586 58 58 PRO CA C 63.392 0.3 1 587 58 58 PRO CB C 31.717 0.3 1 588 58 58 PRO CG C 26.896 0.3 1 589 58 58 PRO CD C 50.476 0.3 1 590 58 58 PRO N N 138.619 0.3 1 591 59 59 GLY H H 8.477 0.020 1 592 59 59 GLY HA2 H 3.910 0.020 2 593 59 59 GLY HA3 H 3.850 0.020 2 594 59 59 GLY C C 173.955 0.3 1 595 59 59 GLY CA C 44.910 0.3 1 596 59 59 GLY N N 110.321 0.3 1 597 60 60 THR H H 7.993 0.020 1 598 60 60 THR HA H 4.482 0.020 1 599 60 60 THR HB H 3.991 0.020 1 600 60 60 THR HG2 H 1.177 0.020 1 601 60 60 THR C C 172.388 0.3 1 602 60 60 THR CA C 59.873 0.3 1 603 60 60 THR CB C 69.872 0.3 1 604 60 60 THR CG2 C 21.239 0.3 1 605 60 60 THR N N 117.990 0.3 1 606 61 61 PRO HA H 4.636 0.020 1 607 61 61 PRO HB2 H 2.301 0.020 2 608 61 61 PRO HB3 H 1.830 0.020 2 609 61 61 PRO HG2 H 1.992 0.020 2 610 61 61 PRO HG3 H 1.947 0.020 2 611 61 61 PRO HD2 H 3.849 0.020 2 612 61 61 PRO HD3 H 3.623 0.020 2 613 61 61 PRO C C 174.688 0.3 1 614 61 61 PRO CA C 61.518 0.3 1 615 61 61 PRO CB C 30.617 0.3 1 616 61 61 PRO CG C 27.043 0.3 1 617 61 61 PRO CD C 50.746 0.3 1 618 61 61 PRO N N 142.385 0.3 1 619 62 62 PRO HA H 4.400 0.020 1 620 62 62 PRO HB2 H 2.214 0.020 2 621 62 62 PRO HB3 H 1.954 0.020 2 622 62 62 PRO HG2 H 1.857 0.020 2 623 62 62 PRO HG3 H 1.838 0.020 2 624 62 62 PRO HD2 H 3.743 0.020 2 625 62 62 PRO HD3 H 3.604 0.020 2 626 62 62 PRO C C 176.877 0.3 1 627 62 62 PRO CA C 62.905 0.3 1 628 62 62 PRO CG C 26.896 0.3 1 629 62 62 PRO CB C 31.868 0.3 1 630 62 62 PRO CD C 50.326 0.3 1 631 62 62 PRO N N 136.817 0.3 1 632 63 63 SER H H 8.376 0.020 1 633 63 63 SER HA H 4.378 0.020 1 634 63 63 SER HB2 H 3.823 0.020 2 635 63 63 SER HB3 H 3.779 0.020 2 636 63 63 SER C C 174.191 0.3 1 637 63 63 SER CA C 58.158 0.3 1 638 63 63 SER CB C 63.422 0.3 1 639 63 63 SER N N 117.076 0.3 1 640 64 64 SER H H 8.204 0.020 1 641 64 64 SER HA H 4.721 0.020 1 642 64 64 SER HB2 H 3.794 0.020 2 643 64 64 SER HB3 H 3.748 0.020 2 644 64 64 SER C C 172.560 0.3 1 645 64 64 SER CA C 56.224 0.3 1 646 64 64 SER CB C 63.441 0.3 1 647 64 64 SER N N 119.568 0.3 1 648 65 65 PRO HA H 4.329 0.020 1 649 65 65 PRO HB2 H 2.222 0.020 2 650 65 65 PRO HB3 H 1.841 0.020 2 651 65 65 PRO HG2 H 1.970 0.020 2 652 65 65 PRO HG3 H 1.924 0.020 2 653 65 65 PRO HD2 H 3.743 0.020 2 654 65 65 PRO HD3 H 3.551 0.020 2 655 65 65 PRO C C 176.781 0.3 1 656 65 65 PRO CA C 63.184 0.3 1 657 65 65 PRO CB C 31.491 0.3 1 658 65 65 PRO CG C 27.122 0.3 1 659 65 65 PRO CD C 50.401 0.3 1 660 65 65 PRO N N 138.741 0.3 1 661 66 66 LEU H H 8.190 0.020 1 662 66 66 LEU HA H 4.373 0.020 1 663 66 66 LEU HB2 H 1.578 0.020 2 664 66 66 LEU HB3 H 1.429 0.020 2 665 66 66 LEU HG H 1.536 0.020 1 666 66 66 LEU HD1 H 0.827 0.020 1 667 66 66 LEU HD2 H 0.779 0.020 1 668 66 66 LEU C C 177.236 0.3 1 669 66 66 LEU CA C 54.772 0.3 1 670 66 66 LEU CB C 42.580 0.3 1 671 66 66 LEU CG C 26.690 0.3 1 672 66 66 LEU CD1 C 25.020 0.3 1 673 66 66 LEU CD2 C 24.677 0.3 1 674 66 66 LEU N N 123.235 0.3 1 675 67 67 SER H H 8.504 0.020 1 676 67 67 SER HA H 4.378 0.020 1 677 67 67 SER HB2 H 4.183 0.020 2 678 67 67 SER HB3 H 3.931 0.020 2 679 67 67 SER C C 174.635 0.3 1 680 67 67 SER CA C 57.306 0.3 1 681 67 67 SER CB C 64.568 0.3 1 682 67 67 SER N N 118.691 0.3 1 683 68 68 ALA H H 8.736 0.020 1 684 68 68 ALA HA H 4.057 0.020 1 685 68 68 ALA HB H 1.411 0.020 1 686 68 68 ALA C C 179.836 0.3 1 687 68 68 ALA CA C 54.969 0.3 1 688 68 68 ALA CB C 17.953 0.3 1 689 68 68 ALA N N 125.520 0.3 1 690 69 69 GLU H H 8.513 0.020 1 691 69 69 GLU HA H 4.080 0.020 1 692 69 69 GLU HB2 H 1.972 0.020 2 693 69 69 GLU HB3 H 1.995 0.020 2 694 69 69 GLU HG2 H 2.227 0.020 2 695 69 69 GLU HG3 H 2.219 0.020 2 696 69 69 GLU C C 178.667 0.3 1 697 69 69 GLU CA C 58.971 0.3 1 698 69 69 GLU CB C 29.116 0.3 1 699 69 69 GLU CG C 36.210 0.3 1 700 69 69 GLU N N 119.216 0.3 1 701 70 70 GLN H H 7.877 0.020 1 702 70 70 GLN HA H 4.034 0.020 1 703 70 70 GLN HB2 H 2.016 0.020 2 704 70 70 GLN HB3 H 1.962 0.020 2 705 70 70 GLN HG2 H 2.195 0.020 2 706 70 70 GLN HG3 H 2.184 0.020 2 707 70 70 GLN C C 178.423 0.3 1 708 70 70 GLN CA C 58.163 0.3 1 709 70 70 GLN CB C 28.688 0.3 1 710 70 70 GLN CG C 36.053 0.3 1 711 70 70 GLN N N 121.345 0.3 1 712 71 71 LEU H H 8.359 0.020 1 713 71 71 LEU HA H 4.034 0.020 1 714 71 71 LEU HB2 H 1.720 0.020 2 715 71 71 LEU HB3 H 1.525 0.020 2 716 71 71 LEU HG H 1.550 0.020 1 717 71 71 LEU HD1 H 0.828 0.020 1 718 71 71 LEU HD2 H 0.810 0.020 1 719 71 71 LEU C C 178.994 0.3 1 720 71 71 LEU CA C 57.546 0.3 1 721 71 71 LEU CB C 41.380 0.3 1 722 71 71 LEU CG C 26.862 0.3 1 723 71 71 LEU CD1 C 23.299 0.3 1 724 71 71 LEU CD2 C 24.678 0.3 1 725 71 71 LEU N N 122.088 0.3 1 726 72 72 ASP H H 8.170 0.020 1 727 72 72 ASP HA H 4.354 0.020 1 728 72 72 ASP HB2 H 2.705 0.020 2 729 72 72 ASP HB3 H 2.650 0.020 2 730 72 72 ASP C C 177.616 0.3 1 731 72 72 ASP CA C 56.728 0.3 1 732 72 72 ASP CB C 41.263 0.3 1 733 72 72 ASP N N 120.962 0.3 1 734 73 73 ARG H H 7.813 0.020 1 735 73 73 ARG HA H 3.916 0.020 1 736 73 73 ARG HB2 H 1.886 0.020 2 737 73 73 ARG HB3 H 1.837 0.020 2 738 73 73 ARG HG2 H 1.686 0.020 2 739 73 73 ARG HG3 H 1.590 0.020 2 740 73 73 ARG HD2 H 3.174 0.020 2 741 73 73 ARG HD3 H 3.155 0.020 2 742 73 73 ARG C C 178.332 0.3 1 743 73 73 ARG CA C 59.025 0.3 1 744 73 73 ARG CB C 29.803 0.3 1 745 73 73 ARG CG C 27.148 0.3 1 746 73 73 ARG CD C 43.110 0.3 1 747 73 73 ARG N N 120.528 0.3 1 748 74 74 ILE H H 7.877 0.020 1 749 74 74 ILE HA H 3.756 0.020 1 750 74 74 ILE HB H 1.900 0.020 1 751 74 74 ILE HG12 H 1.659 0.020 2 752 74 74 ILE HG13 H 1.126 0.020 2 753 74 74 ILE HG2 H 0.872 0.020 1 754 74 74 ILE HD1 H 0.812 0.020 1 755 74 74 ILE C C 178.544 0.3 1 756 74 74 ILE CA C 64.426 0.3 1 757 74 74 ILE CB C 38.100 0.3 1 758 74 74 ILE CG1 C 28.881 0.3 1 759 74 74 ILE CG2 C 16.856 0.3 1 760 74 74 ILE CD1 C 13.345 0.3 1 761 74 74 ILE N N 120.673 0.3 1 762 75 75 GLN H H 8.119 0.020 1 763 75 75 GLN HA H 4.034 0.020 1 764 75 75 GLN HB2 H 2.165 0.020 2 765 75 75 GLN HB3 H 2.127 0.020 2 766 75 75 GLN HG2 H 2.463 0.020 2 767 75 75 GLN HG3 H 2.407 0.020 2 768 75 75 GLN C C 178.613 0.3 1 769 75 75 GLN CA C 58.343 0.3 1 770 75 75 GLN CB C 27.830 0.3 1 771 75 75 GLN CG C 33.468 0.3 1 772 75 75 GLN N N 121.365 0.3 1 773 76 76 ARG H H 8.420 0.020 1 774 76 76 ARG HA H 4.069 0.020 1 775 76 76 ARG HB2 H 1.846 0.020 2 776 76 76 ARG HB3 H 1.823 0.020 2 777 76 76 ARG HG2 H 1.577 0.020 2 778 76 76 ARG HG3 H 1.558 0.020 2 779 76 76 ARG HD2 H 3.162 0.020 2 780 76 76 ARG HD3 H 3.064 0.020 2 781 76 76 ARG C C 178.721 0.3 1 782 76 76 ARG CA C 58.769 0.3 1 783 76 76 ARG CB C 29.803 0.3 1 784 76 76 ARG CG C 27.613 0.3 1 785 76 76 ARG CD C 43.114 0.3 1 786 76 76 ARG N N 121.685 0.3 1 787 77 77 ASN H H 8.279 0.020 1 788 77 77 ASN HA H 4.515 0.020 1 789 77 77 ASN HB2 H 2.884 0.020 2 790 77 77 ASN HB3 H 2.845 0.020 2 791 77 77 ASN C C 177.435 0.3 1 792 77 77 ASN CA C 54.986 0.3 1 793 77 77 ASN CB C 37.692 0.3 1 794 77 77 ASN N N 120.534 0.3 1 795 78 78 LYS H H 8.155 0.020 1 796 78 78 LYS HA H 4.080 0.020 1 797 78 78 LYS HB2 H 1.868 0.020 2 798 78 78 LYS HB3 H 1.846 0.020 2 799 78 78 LYS HG2 H 1.376 0.020 2 800 78 78 LYS HG3 H 1.326 0.020 2 801 78 78 LYS HD2 H 1.586 0.020 2 802 78 78 LYS HD3 H 1.564 0.020 2 803 78 78 LYS HE2 H 2.925 0.020 2 804 78 78 LYS HE3 H 2.870 0.020 2 805 78 78 LYS C C 178.124 0.3 1 806 78 78 LYS CA C 58.790 0.3 1 807 78 78 LYS CB C 32.204 0.3 1 808 78 78 LYS CG C 24.851 0.3 1 809 78 78 LYS CD C 28.989 0.3 1 810 78 78 LYS CE C 41.920 0.3 1 811 78 78 LYS N N 123.436 0.3 1 812 79 79 ALA H H 8.046 0.020 1 813 79 79 ALA HA H 4.093 0.020 1 814 79 79 ALA HB H 1.438 0.020 1 815 79 79 ALA C C 179.737 0.3 1 816 79 79 ALA CA C 54.335 0.3 1 817 79 79 ALA CB C 17.711 0.3 1 818 79 79 ALA N N 123.307 0.3 1 819 80 80 ALA H H 7.986 0.020 1 820 80 80 ALA HA H 4.092 0.020 1 821 80 80 ALA HB H 1.448 0.020 1 822 80 80 ALA C C 179.597 0.3 1 823 80 80 ALA CA C 54.196 0.3 1 824 80 80 ALA CB C 17.823 0.3 1 825 80 80 ALA N N 122.064 0.3 1 826 81 81 ALA H H 7.888 0.020 1 827 81 81 ALA HA H 4.077 0.020 1 828 81 81 ALA HB H 1.438 0.020 1 829 81 81 ALA C C 179.655 0.3 1 830 81 81 ALA CA C 54.237 0.3 1 831 81 81 ALA CB C 17.797 0.3 1 832 81 81 ALA N N 122.467 0.3 1 833 82 82 LEU H H 7.800 0.020 1 834 82 82 LEU HA H 4.114 0.020 1 835 82 82 LEU HB2 H 1.732 0.020 2 836 82 82 LEU HB3 H 1.523 0.020 2 837 82 82 LEU HG H 1.638 0.020 1 838 82 82 LEU HD1 H 0.866 0.020 1 839 82 82 LEU HD2 H 0.824 0.020 1 840 82 82 LEU C C 179.030 0.3 1 841 82 82 LEU CA C 56.760 0.3 1 842 82 82 LEU CB C 41.637 0.3 1 843 82 82 LEU CG C 26.764 0.3 1 844 82 82 LEU CD1 C 23.315 0.3 1 845 82 82 LEU CD2 C 24.291 0.3 1 846 82 82 LEU N N 120.085 0.3 1 847 83 83 LEU H H 7.714 0.020 1 848 83 83 LEU HA H 4.137 0.020 1 849 83 83 LEU HB2 H 1.743 0.020 2 850 83 83 LEU HB3 H 1.560 0.020 2 851 83 83 LEU HG H 1.644 0.020 1 852 83 83 LEU HD1 H 0.867 0.020 1 853 83 83 LEU HD2 H 0.819 0.020 1 854 83 83 LEU C C 178.568 0.3 1 855 83 83 LEU CA C 56.607 0.3 1 856 83 83 LEU CB C 41.637 0.3 1 857 83 83 LEU CG C 26.706 0.3 1 858 83 83 LEU CD1 C 24.586 0.3 1 859 83 83 LEU CD2 C 23.160 0.3 1 860 83 83 LEU N N 121.693 0.3 1 861 84 84 ARG H H 7.789 0.020 1 862 84 84 ARG HA H 3.911 0.020 1 863 84 84 ARG HB2 H 1.871 0.020 2 864 84 84 ARG HB3 H 1.844 0.020 2 865 84 84 ARG HG2 H 1.690 0.020 2 866 84 84 ARG HG3 H 1.594 0.020 2 867 84 84 ARG HD2 H 3.180 0.020 2 868 84 84 ARG HD3 H 3.153 0.020 2 869 84 84 ARG C C 177.444 0.3 1 870 84 84 ARG CA C 57.480 0.3 1 871 84 84 ARG CB C 29.830 0.3 1 872 84 84 ARG CG C 27.126 0.3 1 873 84 84 ARG CD C 43.084 0.3 1 874 84 84 ARG N N 120.544 0.3 1 875 85 85 LEU H H 7.825 0.020 1 876 85 85 LEU HA H 4.137 0.020 1 877 85 85 LEU HB2 H 1.677 0.020 2 878 85 85 LEU HB3 H 1.611 0.020 2 879 85 85 LEU HG H 1.562 0.020 1 880 85 85 LEU HD1 H 0.814 0.020 1 881 85 85 LEU HD2 H 0.761 0.020 1 882 85 85 LEU C C 177.779 0.3 1 883 85 85 LEU CA C 55.944 0.3 1 884 85 85 LEU CB C 41.980 0.3 1 885 85 85 LEU CG C 26.706 0.3 1 886 85 85 LEU CD1 C 24.628 0.3 1 887 85 85 LEU CD2 C 23.231 0.3 1 888 85 85 LEU N N 122.022 0.3 1 889 86 86 ALA H H 7.908 0.020 1 890 86 86 ALA HA H 4.172 0.020 1 891 86 86 ALA HB H 1.388 0.020 1 892 86 86 ALA C C 177.852 0.3 1 893 86 86 ALA CA C 52.932 0.3 1 894 86 86 ALA CB C 18.311 0.3 1 895 86 86 ALA N N 124.054 0.3 1 896 87 87 ALA H H 7.894 0.020 1 897 87 87 ALA HA H 4.186 0.020 1 898 87 87 ALA HB H 1.381 0.020 1 899 87 87 ALA C C 177.725 0.3 1 900 87 87 ALA CA C 52.606 0.3 1 901 87 87 ALA CB C 18.397 0.3 1 902 87 87 ALA N N 123.028 0.3 1 903 88 88 ARG H H 8.003 0.020 1 904 88 88 ARG HA H 4.217 0.020 1 905 88 88 ARG HB2 H 1.820 0.020 2 906 88 88 ARG HB3 H 1.772 0.020 2 907 88 88 ARG HG2 H 1.580 0.020 2 908 88 88 ARG HG3 H 1.554 0.020 2 909 88 88 ARG HD2 H 3.137 0.020 2 910 88 88 ARG HD3 H 3.117 0.020 2 911 88 88 ARG C C 175.949 0.3 1 912 88 88 ARG CA C 56.090 0.3 1 913 88 88 ARG CB C 30.354 0.3 1 914 88 88 ARG CG C 26.743 0.3 1 915 88 88 ARG CD C 43.166 0.3 1 916 88 88 ARG N N 120.024 0.3 1 917 89 89 ASN H H 8.309 0.020 1 918 89 89 ASN HA H 4.653 0.020 1 919 89 89 ASN HB2 H 2.808 0.020 2 920 89 89 ASN HB3 H 2.717 0.020 2 921 89 89 ASN C C 174.499 0.3 1 922 89 89 ASN CA C 53.141 0.3 1 923 89 89 ASN CB C 38.378 0.3 1 924 89 89 ASN N N 120.503 0.3 1 925 90 90 VAL H H 7.928 0.020 1 926 90 90 VAL HA H 4.052 0.020 1 927 90 90 VAL HB H 2.034 0.020 1 928 90 90 VAL HG1 H 0.899 0.020 1 929 90 90 VAL HG2 H 0.844 0.020 1 930 90 90 VAL C C 174.182 0.3 1 931 90 90 VAL CA C 59.824 0.3 1 932 90 90 VAL CB C 32.457 0.3 1 933 90 90 VAL CG1 C 20.869 0.3 1 934 90 90 VAL CG2 C 19.965 0.3 1 935 90 90 VAL N N 122.688 0.3 1 936 91 91 PRO HA H 4.335 0.020 1 937 91 91 PRO HB2 H 2.214 0.020 2 938 91 91 PRO HB3 H 1.838 0.020 2 939 91 91 PRO HG2 H 1.947 0.020 2 940 91 91 PRO HG3 H 1.924 0.020 2 941 91 91 PRO HD2 H 3.743 0.020 2 942 91 91 PRO HD3 H 3.551 0.020 2 943 91 91 PRO C C 176.701 0.3 1 944 91 91 PRO CA C 62.990 0.3 1 945 91 91 PRO CB C 31.868 0.3 1 946 91 91 PRO CG C 27.047 0.3 1 947 91 91 PRO CD C 50.401 0.3 1 948 91 91 PRO N N 140.422 0.3 1 949 92 92 VAL H H 8.161 0.020 1 950 92 92 VAL HA H 4.017 0.020 1 951 92 92 VAL HB H 1.999 0.020 1 952 92 92 VAL HG1 H 0.897 0.020 1 953 92 92 VAL HG2 H 0.860 0.020 1 954 92 92 VAL C C 175.904 0.3 1 955 92 92 VAL CA C 62.199 0.3 1 956 92 92 VAL CB C 32.600 0.3 1 957 92 92 VAL CG1 C 20.861 0.3 1 958 92 92 VAL CG2 C 20.174 0.3 1 959 92 92 VAL N N 121.830 0.3 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HBHANH' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C-terminal UNG2' _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 GLY H H 8.289 0.02 1 2 2 2 GLY HA2 H 3.905 0.02 2 3 2 2 GLY HA3 H 3.871 0.02 2 4 2 2 GLY C C 174.532 0.3 1 5 2 2 GLY CA C 45.058 0.3 1 6 2 2 GLY N N 115.537 0.3 1 7 3 3 SER H H 8.348 0.02 1 8 3 3 SER HA H 4.393 0.02 1 9 3 3 SER HB2 H 3.813 0.02 2 10 3 3 SER HB3 H 3.74 0.02 2 11 3 3 SER C C 174.558 0.3 1 12 3 3 SER CA C 58.034 0.3 1 13 3 3 SER CB C 63.556 0.3 1 14 3 3 SER N N 116.647 0.3 1 15 4 4 SER H H 8.362 0.02 1 16 4 4 SER HA H 4.342 0.02 1 17 4 4 SER HB2 H 3.748 0.02 2 18 4 4 SER HB3 H 3.675 0.02 2 19 4 4 SER CA C 58.186 0.3 1 20 4 4 SER CB C 63.261 0.3 1 21 4 4 SER N N 118.772 0.3 1 22 11 11 SER H H 8.457 0.02 1 23 11 11 SER HA H 4.371 0.02 1 24 11 11 SER HB2 H 3.82 0.02 2 25 11 11 SER HB3 H 3.74 0.02 2 26 11 11 SER C C 174.453 0.3 1 27 11 11 SER CA C 58.212 0.3 1 28 11 11 SER CB C 63.316 0.3 1 29 11 11 SER N N 119.019 0.3 1 30 12 12 SER H H 8.48 0.02 1 31 12 12 SER HA H 4.378 0.02 1 32 12 12 SER HB2 H 3.849 0.02 2 33 12 12 SER HB3 H 3.777 0.02 2 34 12 12 SER C C 174.621 0.3 1 35 12 12 SER CA C 58.465 0.3 1 36 12 12 SER CB C 63.496 0.3 1 37 12 12 SER N N 119.391 0.3 1 38 13 13 GLY H H 8.37 0.02 1 39 13 13 GLY HA2 H 3.901 0.02 2 40 13 13 GLY HA3 H 3.825 0.02 2 41 13 13 GLY C C 173.632 0.3 1 42 13 13 GLY CA C 45.018 0.3 1 43 13 13 GLY N N 111.702 0.3 1 44 14 14 LEU H H 8.02 0.02 1 45 14 14 LEU HA H 4.241 0.02 1 46 14 14 LEU HB2 H 1.508 0.02 2 47 14 14 LEU HB3 H 1.443 0.02 2 48 14 14 LEU C C 176.93 0.3 1 49 14 14 LEU CA C 54.863 0.3 1 50 14 14 LEU CB C 41.881 0.3 1 51 14 14 LEU N N 122.683 0.3 1 52 15 15 VAL H H 8.052 0.02 1 53 15 15 VAL HA H 4.291 0.02 1 54 15 15 VAL CA C 59.506 0.3 1 55 15 15 VAL CB C 32.154 0.3 1 56 15 15 VAL N N 123.71 0.3 1 57 17 17 ARG H H 8.45 0.02 1 58 17 17 ARG HA H 4.226 0.02 1 59 17 17 ARG HB2 H 1.725 0.02 2 60 17 17 ARG HB3 H 1.667 0.02 2 61 17 17 ARG C C 176.816 0.3 1 62 17 17 ARG CA C 56.182 0.3 1 63 17 17 ARG CB C 30.413 0.3 1 64 17 17 ARG N N 123.268 0.3 1 65 18 18 GLY H H 8.54 0.02 1 66 18 18 GLY HA2 H 3.885 0.02 2 67 18 18 GLY HA3 H 3.813 0.02 2 68 18 18 GLY C C 174.253 0.3 1 69 18 18 GLY CA C 45.145 0.3 1 70 18 18 GLY N N 111.408 0.3 1 71 19 19 SER H H 8.147 0.02 1 72 19 19 SER HA H 4.284 0.02 1 73 19 19 SER HB2 H 3.748 0.02 2 74 19 19 SER HB3 H 3.69 0.02 2 75 19 19 SER C C 174.253 0.3 1 76 19 19 SER CA C 58.643 0.3 1 77 19 19 SER CB C 63.21 0.3 1 78 19 19 SER N N 116.671 0.3 1 79 20 20 HIS H H 8.292 0.02 1 80 20 20 HIS HA H 4.484 0.02 1 81 20 20 HIS HB2 H 3.02 0.02 2 82 20 20 HIS HB3 H 2.962 0.02 2 83 20 20 HIS C C 175.154 0.3 1 84 20 20 HIS CA C 56.334 0.3 1 85 20 20 HIS N N 122.065 0.3 1 86 21 21 MET H H 8.036 0.02 1 87 21 21 MET HB2 H 1.94 0.02 2 88 21 21 MET HB3 H 1.889 0.02 2 89 21 21 MET C C 175.75 0.3 1 90 21 21 MET CA C 55.903 0.3 1 91 21 21 MET CB C 32.515 0.3 1 92 21 21 MET N N 121.363 0.3 1 93 22 22 ILE H H 7.863 0.02 1 94 22 22 ILE HA H 3.97 0.02 1 95 22 22 ILE C C 175.598 0.3 1 96 22 22 ILE CA C 60.658 0.3 1 97 22 22 ILE N N 120.631 0.3 1 98 23 23 GLU H H 8.188 0.02 1 99 23 23 GLU C C 176.842 0.3 1 100 23 23 GLU CA C 56.36 0.3 1 101 23 23 GLU CB C 30.053 0.3 1 102 23 23 GLU N N 125.487 0.3 1 103 24 24 GLY H H 8.6 0.02 1 104 24 24 GLY HA2 H 3.926 0.02 2 105 24 24 GLY HA3 H 3.825 0.02 2 106 24 24 GLY C C 175.053 0.3 1 107 24 24 GLY CA C 45.805 0.3 1 108 24 24 GLY N N 111.304 0.3 1 109 25 25 ARG H H 8.26 0.02 1 110 25 25 ARG C C 176.296 0.3 1 111 25 25 ARG CA C 56.385 0.3 1 112 25 25 ARG CB C 29.484 0.3 1 113 25 25 ARG N N 119.98 0.3 1 114 26 26 CYS H H 8.154 0.02 1 115 26 26 CYS HA H 4.349 0.02 1 116 26 26 CYS CA C 56.233 0.3 1 117 26 26 CYS N N 118.282 0.3 1 118 27 27 PHE H H 7.662 0.02 1 119 27 27 PHE CA C 56.055 0.3 1 120 27 27 PHE N N 124.112 0.3 1 121 28 28 GLY H H 8.14 0.02 1 122 28 28 GLY C C 175.141 0.3 1 123 28 28 GLY CA C 46.617 0.3 1 124 28 28 GLY N N 113.029 0.3 1 125 29 29 GLU H H 9.093 0.02 1 126 29 29 GLU CA C 60.368 0.3 1 127 29 29 GLU N N 127.336 0.3 1 128 30 30 SER H H 9.052 0.02 1 129 30 30 SER CA C 61.459 0.3 1 130 30 30 SER N N 116.457 0.3 1 131 31 31 TRP H H 7.084 0.02 1 132 31 31 TRP C C 177.806 0.3 1 133 31 31 TRP CA C 59.176 0.3 1 134 31 31 TRP CB C 28.492 0.3 1 135 31 31 TRP N N 123.571 0.3 1 136 32 32 LYS H H 8.709 0.02 1 137 32 32 LYS CA C 60.14 0.3 1 138 32 32 LYS N N 122.853 0.3 1 139 33 33 LYS H H 7.796 0.02 1 140 33 33 LYS HA H 3.803 0.02 1 141 33 33 LYS C C 177.895 0.3 1 142 33 33 LYS CA C 58.694 0.3 1 143 33 33 LYS CB C 31.637 0.3 1 144 33 33 LYS N N 116.96 0.3 1 145 34 34 HIS H H 6.699 0.02 1 146 34 34 HIS HA H 4.473 0.02 1 147 34 34 HIS C C 176.083 0.3 1 148 34 34 HIS CA C 57.451 0.3 1 149 34 34 HIS CB C 30.653 0.3 1 150 34 34 HIS N N 114.888 0.3 1 151 35 35 LEU H H 7.757 0.02 1 152 35 35 LEU C C 176.258 0.3 1 153 35 35 LEU CA C 54.152 0.3 1 154 35 35 LEU N N 118.789 0.3 1 155 36 36 SER H H 7.456 0.02 1 156 36 36 SER CA C 60.292 0.3 1 157 36 36 SER CB C 62.235 0.3 1 158 36 36 SER N N 114.808 0.3 1 159 37 37 GLY H H 8.609 0.02 1 160 37 37 GLY CA C 46.16 0.3 1 161 37 37 GLY N N 113.162 0.3 1 162 38 38 GLU H H 7.85 0.02 1 163 38 38 GLU HA H 3.962 0.02 1 164 38 38 GLU C C 177.476 0.3 1 165 38 38 GLU CA C 57.425 0.3 1 166 38 38 GLU N N 117.818 0.3 1 167 39 39 PHE H H 6.584 0.02 1 168 39 39 PHE C C 176.03 0.3 1 169 39 39 PHE CA C 55.776 0.3 1 170 39 39 PHE N N 113.003 0.3 1 171 40 40 GLY H H 7.253 0.02 1 172 40 40 GLY CA C 43.775 0.3 1 173 40 40 GLY N N 102.168 0.3 1 174 41 41 LYS H H 7.444 0.02 1 175 41 41 LYS C C 175.611 0.3 1 176 41 41 LYS CA C 55.243 0.3 1 177 41 41 LYS N N 123.395 0.3 1 178 43 43 TYR H H 8.708 0.02 1 179 43 43 TYR HA H 4.26 0.02 1 180 43 43 TYR C C 176.385 0.3 1 181 43 43 TYR CA C 60.368 0.3 1 182 43 43 TYR CB C 35.464 0.3 1 183 43 43 TYR N N 115.407 0.3 1 184 44 44 PHE H H 6.583 0.02 1 185 44 44 PHE C C 176.93 0.3 1 186 44 44 PHE CA C 60.597 0.3 1 187 44 44 PHE N N 129.902 0.3 1 188 45 45 ILE H H 7.525 0.02 1 189 45 45 ILE C C 179.772 0.3 1 190 45 45 ILE CA C 64.783 0.3 1 191 45 45 ILE N N 122.039 0.3 1 192 46 46 LYS H H 7.963 0.02 1 193 46 46 LYS HA H 3.912 0.02 1 194 46 46 LYS C C 179.125 0.3 1 195 46 46 LYS CA C 59.227 0.3 1 196 46 46 LYS CB C 31.931 0.3 1 197 46 46 LYS N N 121.576 0.3 1 198 47 47 LEU H H 7.696 0.02 1 199 47 47 LEU C C 177.451 0.3 1 200 47 47 LEU CA C 57.78 0.3 1 201 47 47 LEU N N 124.892 0.3 1 202 48 48 MET H H 8.207 0.02 1 203 48 48 MET HA H 4.281 0.02 1 204 48 48 MET C C 180.09 0.3 1 205 48 48 MET CA C 57.273 0.3 1 206 48 48 MET N N 117.435 0.3 1 207 49 49 GLY H H 7.887 0.02 1 208 49 49 GLY HA2 H 3.861 0.02 2 209 49 49 GLY HA3 H 3.803 0.02 2 210 49 49 GLY C C 175.497 0.3 1 211 49 49 GLY CA C 46.845 0.3 1 212 49 49 GLY N N 109.018 0.3 1 213 50 50 PHE H H 8.115 0.02 1 214 50 50 PHE C C 176.423 0.3 1 215 50 50 PHE CA C 60.597 0.3 1 216 50 50 PHE N N 126.109 0.3 1 217 51 51 VAL H H 8.592 0.02 1 218 51 51 VAL C C 177.235 0.3 1 219 51 51 VAL CA C 67.168 0.3 1 220 51 51 VAL N N 120.765 0.3 1 221 52 52 ALA H H 7.843 0.02 1 222 52 52 ALA HA H 3.955 0.02 1 223 52 52 ALA HB H 1.406 0.02 1 224 52 52 ALA C C 180.597 0.3 1 225 52 52 ALA CA C 55.142 0.3 1 226 52 52 ALA CB C 17.684 0.3 1 227 52 52 ALA N N 120.951 0.3 1 228 53 53 GLU H H 7.79 0.02 1 229 53 53 GLU C C 179.544 0.3 1 230 53 53 GLU CA C 58.871 0.3 1 231 53 53 GLU CB C 28.792 0.3 1 232 53 53 GLU N N 120.533 0.3 1 233 54 54 GLU H H 8.328 0.02 1 234 54 54 GLU C C 178.669 0.3 1 235 54 54 GLU CA C 60.292 0.3 1 236 54 54 GLU N N 122.056 0.3 1 237 55 55 ARG H H 8.209 0.02 1 238 55 55 ARG C C 177.527 0.3 1 239 55 55 ARG CA C 59.049 0.3 1 240 55 55 ARG N N 116.313 0.3 1 241 56 56 LYS H H 7.411 0.02 1 242 56 56 LYS HA H 3.944 0.02 1 243 56 56 LYS C C 177.146 0.3 1 244 56 56 LYS CA C 57.806 0.3 1 245 56 56 LYS CB C 32.034 0.3 1 246 56 56 LYS N N 117.686 0.3 1 247 57 57 HIS H H 7.128 0.02 1 248 57 57 HIS C C 172.959 0.3 1 249 57 57 HIS CA C 55.776 0.3 1 250 57 57 HIS CB C 31.517 0.3 1 251 57 57 HIS N N 115.091 0.3 1 252 58 58 TYR H H 8.597 0.02 1 253 58 58 TYR HA H 4.738 0.02 1 254 58 58 TYR C C 174.672 0.3 1 255 58 58 TYR CA C 55.852 0.3 1 256 58 58 TYR CB C 41.461 0.3 1 257 58 58 TYR N N 119.992 0.3 1 258 59 59 THR H H 8.781 0.02 1 259 59 59 THR C C 172.223 0.3 1 260 59 59 THR CA C 63.438 0.3 1 261 59 59 THR N N 119.299 0.3 1 262 60 60 VAL H H 8.174 0.02 1 263 60 60 VAL C C 173.53 0.3 1 264 60 60 VAL CA C 59.557 0.3 1 265 60 60 VAL N N 130.076 0.3 1 266 61 61 TYR H H 9.033 0.02 1 267 61 61 TYR C C 173.911 0.3 1 268 61 61 TYR CA C 52.604 0.3 1 269 61 61 TYR N N 127.815 0.3 1 270 65 65 HIS H H 8.278 0.02 1 271 65 65 HIS C C 175.433 0.3 1 272 65 65 HIS CA C 57.552 0.3 1 273 65 65 HIS N N 112.886 0.3 1 274 66 66 GLN H H 7.897 0.02 1 275 66 66 GLN C C 174.583 0.3 1 276 66 66 GLN CA C 53.949 0.3 1 277 66 66 GLN N N 120.591 0.3 1 278 67 67 VAL H H 6.836 0.02 1 279 67 67 VAL C C 176.918 0.3 1 280 67 67 VAL CA C 65.722 0.3 1 281 67 67 VAL N N 121.301 0.3 1 282 68 68 PHE H H 8.372 0.02 1 283 68 68 PHE CA C 54.888 0.3 1 284 68 68 PHE N N 113.297 0.3 1 285 69 69 THR H H 7.341 0.02 1 286 69 69 THR CA C 66.026 0.3 1 287 69 69 THR CB C 68.539 0.3 1 288 69 69 THR N N 120.332 0.3 1 289 70 70 TRP H H 6.942 0.02 1 290 70 70 TRP C C 175.814 0.3 1 291 70 70 TRP CA C 55.776 0.3 1 292 70 70 TRP N N 116.786 0.3 1 293 71 71 THR H H 6.778 0.02 1 294 71 71 THR C C 174.404 0.3 1 295 71 71 THR CA C 61.053 0.3 1 296 71 71 THR N N 110.61 0.3 1 297 72 72 GLN H H 7.461 0.02 1 298 72 72 GLN C C 176.943 0.3 1 299 72 72 GLN CA C 55.954 0.3 1 300 72 72 GLN N N 119.108 0.3 1 301 73 73 MET H H 7.062 0.02 1 302 73 73 MET HA H 4.523 0.02 1 303 73 73 MET C C 174.989 0.3 1 304 73 73 MET CA C 55.345 0.3 1 305 73 73 MET CB C 33.192 0.3 1 306 73 73 MET N N 115.774 0.3 1 307 74 74 CYS H H 7.526 0.02 1 308 74 74 CYS HA H 4.777 0.02 1 309 74 74 CYS C C 171.931 0.3 1 310 74 74 CYS CA C 55.675 0.3 1 311 74 74 CYS CB C 29.962 0.3 1 312 74 74 CYS N N 112.096 0.3 1 313 75 75 ASP H H 9.174 0.02 1 314 75 75 ASP C C 177.489 0.3 1 315 75 75 ASP CA C 53.797 0.3 1 316 75 75 ASP CB C 42.601 0.3 1 317 75 75 ASP N N 125.69 0.3 1 318 76 76 ILE H H 7.514 0.02 1 319 76 76 ILE C C 176.106 0.3 1 320 76 76 ILE CA C 64.931 0.3 1 321 76 76 ILE N N 132.213 0.3 1 322 77 77 LYS H H 8.854 0.02 1 323 77 77 LYS HA H 4.078 0.02 1 324 77 77 LYS HB2 H 1.773 0.02 2 325 77 77 LYS HB3 H 1.715 0.02 2 326 77 77 LYS C C 176.842 0.3 1 327 77 77 LYS CA C 57.298 0.3 1 328 77 77 LYS CB C 31.039 0.3 1 329 77 77 LYS N N 120.947 0.3 1 330 78 78 ASP H H 7.839 0.02 1 331 78 78 ASP C C 175.789 0.3 1 332 78 78 ASP CA C 53.924 0.3 1 333 78 78 ASP N N 119.666 0.3 1 334 79 79 VAL H H 6.791 0.02 1 335 79 79 VAL C C 175.522 0.3 1 336 79 79 VAL CA C 64.732 0.3 1 337 79 79 VAL N N 120.61 0.3 1 338 80 80 LYS H H 9.596 0.02 1 339 80 80 LYS C C 174.279 0.3 1 340 80 80 LYS CA C 56.867 0.3 1 341 80 80 LYS N N 126.986 0.3 1 342 81 81 VAL H H 7.7 0.02 1 343 81 81 VAL C C 173.061 0.3 1 344 81 81 VAL CA C 58.77 0.3 1 345 81 81 VAL CB C 36.421 0.3 1 346 81 81 VAL N N 120.392 0.3 1 347 82 82 VAL H H 9.143 0.02 1 348 82 82 VAL HA H 4.545 0.02 1 349 82 82 VAL C C 173.137 0.3 1 350 82 82 VAL CA C 60.47 0.3 1 351 82 82 VAL N N 128.065 0.3 1 352 83 83 ILE H H 9.071 0.02 1 353 83 83 ILE C C 174.355 0.3 1 354 83 83 ILE CA C 60.927 0.3 1 355 83 83 ILE N N 128.469 0.3 1 356 84 84 LEU H H 5.943 0.02 1 357 84 84 LEU CA C 52.884 0.3 1 358 84 84 LEU N N 123.28 0.3 1 359 85 85 GLY H H 8.527 0.02 1 360 85 85 GLY CA C 42.988 0.3 1 361 85 85 GLY N N 111.883 0.3 1 362 86 86 GLN H H 8 0.02 1 363 86 86 GLN C C 171.449 0.3 1 364 86 86 GLN CA C 56.766 0.3 1 365 86 86 GLN CB C 28.467 0.3 1 366 86 86 GLN N N 123.542 0.3 1 367 87 87 ASP H H 7.621 0.02 1 368 87 87 ASP HA H 5.166 0.02 1 369 87 87 ASP C C 173.035 0.3 1 370 87 87 ASP CA C 51.184 0.3 1 371 87 87 ASP CB C 43.202 0.3 1 372 87 87 ASP N N 122.181 0.3 1 373 89 89 TYR H H 6.98 0.02 1 374 89 89 TYR C C 177.324 0.3 1 375 89 89 TYR CA C 58.922 0.3 1 376 89 89 TYR CB C 39.651 0.3 1 377 89 89 TYR N N 119.068 0.3 1 378 90 90 HIS H H 8.02 0.02 1 379 90 90 HIS C C 174.875 0.3 1 380 90 90 HIS CA C 54.863 0.3 1 381 90 90 HIS N N 116.653 0.3 1 382 91 91 GLY H H 7.368 0.02 1 383 91 91 GLY C C 171.703 0.3 1 384 91 91 GLY CA C 43.09 0.3 1 385 91 91 GLY N N 110.409 0.3 1 386 93 93 ASN H H 7.559 0.02 1 387 93 93 ASN C C 173.149 0.3 1 388 93 93 ASN CA C 54.685 0.3 1 389 93 93 ASN CB C 37.403 0.3 1 390 93 93 ASN N N 115.469 0.3 1 391 94 94 GLN H H 6.558 0.02 1 392 94 94 GLN HA H 4.035 0.02 1 393 94 94 GLN C C 175.23 0.3 1 394 94 94 GLN CA C 58.186 0.3 1 395 94 94 GLN N N 115.991 0.3 1 396 95 95 ALA H H 9.187 0.02 1 397 95 95 ALA HB H 1.592 0.02 1 398 95 95 ALA C C 179.506 0.3 1 399 95 95 ALA CA C 52.016 0.3 1 400 95 95 ALA CB C 19.018 0.3 1 401 95 95 ALA N N 121.108 0.3 1 402 96 96 HIS H H 9.164 0.02 1 403 96 96 HIS HA H 4.789 0.02 1 404 96 96 HIS CA C 55.116 0.3 1 405 96 96 HIS N N 117.758 0.3 1 406 97 97 GLY H H 8.399 0.02 1 407 97 97 GLY CA C 46.439 0.3 1 408 97 97 GLY N N 110.216 0.3 1 409 98 98 LEU H H 6.085 0.02 1 410 98 98 LEU C C 175.903 0.3 1 411 98 98 LEU CA C 51.712 0.3 1 412 98 98 LEU N N 116.591 0.3 1 413 99 99 CYS H H 7.736 0.02 1 414 99 99 CYS C C 173.162 0.3 1 415 99 99 CYS CA C 58.085 0.3 1 416 99 99 CYS N N 125.461 0.3 1 417 100 100 PHE H H 7.853 0.02 1 418 100 100 PHE CA C 63.794 0.3 1 419 100 100 PHE N N 113.228 0.3 1 420 101 101 SER H H 7.557 0.02 1 421 101 101 SER CA C 57.983 0.3 1 422 101 101 SER N N 119.264 0.3 1 423 102 102 VAL H H 8.94 0.02 1 424 102 102 VAL C C 174.672 0.3 1 425 102 102 VAL CA C 59.277 0.3 1 426 102 102 VAL N N 121.707 0.3 1 427 103 103 GLN H H 7.933 0.02 1 428 103 103 GLN C C 176.334 0.3 1 429 103 103 GLN CA C 55.446 0.3 1 430 103 103 GLN CB C 29.512 0.3 1 431 103 103 GLN N N 121.564 0.3 1 432 104 104 ARG H H 9.025 0.02 1 433 104 104 ARG C C 175.56 0.3 1 434 104 104 ARG CA C 55.37 0.3 1 435 104 104 ARG CB C 29.392 0.3 1 436 104 104 ARG N N 124.294 0.3 1 437 106 106 VAL H H 8.837 0.02 1 438 106 106 VAL C C 174.012 0.3 1 439 106 106 VAL CA C 61.688 0.3 1 440 106 106 VAL CB C 31.854 0.3 1 441 106 106 VAL N N 131.241 0.3 1 442 111 111 SER H H 8.654 0.02 1 443 111 111 SER CA C 62.119 0.3 1 444 111 111 SER N N 112.22 0.3 1 445 112 112 LEU H H 6.954 0.02 1 446 112 112 LEU CA C 56.08 0.3 1 447 112 112 LEU N N 123.244 0.3 1 448 113 113 GLU H H 8.128 0.02 1 449 113 113 GLU C C 180.14 0.3 1 450 113 113 GLU CA C 58.948 0.3 1 451 113 113 GLU CB C 28.492 0.3 1 452 113 113 GLU N N 119.122 0.3 1 453 114 114 ASN H H 7.691 0.02 1 454 114 114 ASN C C 177.349 0.3 1 455 114 114 ASN CA C 55.472 0.3 1 456 114 114 ASN CB C 36.704 0.3 1 457 114 114 ASN N N 119.947 0.3 1 458 115 115 ILE H H 7.555 0.02 1 459 115 115 ILE C C 177.476 0.3 1 460 115 115 ILE CA C 66.712 0.3 1 461 115 115 ILE N N 125.687 0.3 1 462 116 116 TYR H H 8.399 0.02 1 463 116 116 TYR C C 179.113 0.3 1 464 116 116 TYR CA C 56.766 0.3 1 465 116 116 TYR N N 118.355 0.3 1 466 117 117 LYS H H 8.526 0.02 1 467 117 117 LYS C C 179.303 0.3 1 468 117 117 LYS CA C 59.506 0.3 1 469 117 117 LYS N N 124.28 0.3 1 470 118 118 GLU H H 8.272 0.02 1 471 118 118 GLU C C 178.796 0.3 1 472 118 118 GLU CA C 58.313 0.3 1 473 118 118 GLU N N 124.153 0.3 1 474 119 119 LEU H H 8.207 0.02 1 475 119 119 LEU CA C 59.176 0.3 1 476 119 119 LEU N N 122.573 0.3 1 477 120 120 SER H H 7.826 0.02 1 478 120 120 SER HA H 4.361 0.02 1 479 120 120 SER HB2 H 4.175 0.02 2 480 120 120 SER HB3 H 4.071 0.02 2 481 120 120 SER CA C 61.713 0.3 1 482 120 120 SER CB C 62.556 0.3 1 483 120 120 SER N N 111.88 0.3 1 484 121 121 THR H H 7.443 0.02 1 485 121 121 THR HA H 4.335 0.02 1 486 121 121 THR C C 174.748 0.3 1 487 121 121 THR CA C 62.271 0.3 1 488 121 121 THR CB C 68.896 0.3 1 489 121 121 THR N N 112.5 0.3 1 490 122 122 ASP H H 8.315 0.02 1 491 122 122 ASP HA H 4.39 0.02 1 492 122 122 ASP CA C 56.157 0.3 1 493 122 122 ASP N N 125.124 0.3 1 494 123 123 ILE H H 8.382 0.02 1 495 123 123 ILE C C 175.776 0.3 1 496 123 123 ILE CA C 57.197 0.3 1 497 123 123 ILE N N 119.434 0.3 1 498 124 124 GLU H H 8.565 0.02 1 499 124 124 GLU HA H 3.98 0.02 1 500 124 124 GLU HB2 H 1.972 0.02 2 501 124 124 GLU HB3 H 1.921 0.02 2 502 124 124 GLU C C 176.436 0.3 1 503 124 124 GLU CA C 58.871 0.3 1 504 124 124 GLU CB C 29.512 0.3 1 505 124 124 GLU N N 127.304 0.3 1 506 125 125 ASP H H 8.314 0.02 1 507 125 125 ASP C C 174.938 0.3 1 508 125 125 ASP CA C 53.315 0.3 1 509 125 125 ASP CB C 39.498 0.3 1 510 125 125 ASP N N 117.208 0.3 1 511 126 126 PHE H H 7.895 0.02 1 512 126 126 PHE HA H 4.412 0.02 1 513 126 126 PHE C C 174.291 0.3 1 514 126 126 PHE CA C 60.8 0.3 1 515 126 126 PHE CB C 39.89 0.3 1 516 126 126 PHE N N 120.747 0.3 1 517 127 127 VAL H H 6.217 0.02 1 518 127 127 VAL HA H 3.904 0.02 1 519 127 127 VAL C C 173.061 0.3 1 520 127 127 VAL CA C 59.734 0.3 1 521 127 127 VAL CB C 34.268 0.3 1 522 127 127 VAL N N 127.829 0.3 1 523 128 128 HIS H H 8.352 0.02 1 524 128 128 HIS C C 175.357 0.3 1 525 128 128 HIS CA C 54.457 0.3 1 526 128 128 HIS N N 128.813 0.3 1 527 130 130 GLY H H 11.026 0.02 1 528 130 130 GLY CA C 45.094 0.3 1 529 130 130 GLY N N 115.387 0.3 1 530 131 131 HIS H H 7.175 0.02 1 531 131 131 HIS HA H 4.69 0.02 1 532 131 131 HIS C C 173.086 0.3 1 533 131 131 HIS CA C 54.355 0.3 1 534 131 131 HIS CB C 31.974 0.3 1 535 131 131 HIS N N 115.367 0.3 1 536 132 132 GLY H H 10.068 0.02 1 537 132 132 GLY CA C 46.337 0.3 1 538 132 132 GLY N N 112.821 0.3 1 539 133 133 ASP H H 10.971 0.02 1 540 133 133 ASP C C 178.136 0.3 1 541 133 133 ASP CA C 53.366 0.3 1 542 133 133 ASP N N 127.727 0.3 1 543 134 134 LEU H H 9.669 0.02 1 544 134 134 LEU C C 179.037 0.3 1 545 134 134 LEU CA C 53.67 0.3 1 546 134 134 LEU N N 127.627 0.3 1 547 135 135 SER H H 9.269 0.02 1 548 135 135 SER CA C 64.327 0.3 1 549 135 135 SER N N 121.904 0.3 1 550 136 136 GLY H H 9.704 0.02 1 551 136 136 GLY C C 178.06 0.3 1 552 136 136 GLY CA C 46.946 0.3 1 553 136 136 GLY N N 108.291 0.3 1 554 137 137 TRP H H 7.771 0.02 1 555 137 137 TRP C C 178.846 0.3 1 556 137 137 TRP CA C 57.07 0.3 1 557 137 137 TRP N N 121.687 0.3 1 558 138 138 ALA H H 7.832 0.02 1 559 138 138 ALA HA H 4.639 0.02 1 560 138 138 ALA HB H 1.672 0.02 1 561 138 138 ALA C C 181.397 0.3 1 562 138 138 ALA CA C 54.457 0.3 1 563 138 138 ALA CB C 19.305 0.3 1 564 138 138 ALA N N 127.221 0.3 1 565 139 139 LYS H H 8.532 0.02 1 566 139 139 LYS C C 177.616 0.3 1 567 139 139 LYS CA C 58.186 0.3 1 568 139 139 LYS CB C 32.833 0.3 1 569 139 139 LYS N N 116.862 0.3 1 570 140 140 GLN H H 7.282 0.02 1 571 140 140 GLN HA H 4.328 0.02 1 572 140 140 GLN C C 174.9 0.3 1 573 140 140 GLN CA C 56.004 0.3 1 574 140 140 GLN CB C 31.577 0.3 1 575 140 140 GLN N N 116.057 0.3 1 576 141 141 GLY H H 7.761 0.02 1 577 141 141 GLY CA C 45.648 0.3 1 578 141 141 GLY N N 104.112 0.3 1 579 142 142 VAL H H 7.526 0.02 1 580 142 142 VAL HA H 4.528 0.02 1 581 142 142 VAL C C 174.342 0.3 1 582 142 142 VAL CA C 60.8 0.3 1 583 142 142 VAL N N 122.692 0.3 1 584 143 143 LEU H H 9.713 0.02 1 585 143 143 LEU C C 173.86 0.3 1 586 143 143 LEU CA C 53.949 0.3 1 587 143 143 LEU N N 131.773 0.3 1 588 144 144 LEU H H 8.774 0.02 1 589 144 144 LEU CA C 54.051 0.3 1 590 144 144 LEU N N 134.544 0.3 1 591 145 145 LEU H H 7.673 0.02 1 592 145 145 LEU C C 175.598 0.3 1 593 145 145 LEU CA C 53.366 0.3 1 594 145 145 LEU N N 128.193 0.3 1 595 146 146 ASN H H 7.493 0.02 1 596 146 146 ASN C C 172.084 0.3 1 597 146 146 ASN CA C 52.632 0.3 1 598 146 146 ASN N N 127.778 0.3 1 599 147 147 ALA H H 7.757 0.02 1 600 147 147 ALA HA H 4.064 0.02 1 601 147 147 ALA HB H 1.776 0.02 1 602 147 147 ALA C C 176.753 0.3 1 603 147 147 ALA CA C 53.087 0.3 1 604 147 147 ALA CB C 21.827 0.3 1 605 147 147 ALA N N 121.392 0.3 1 606 148 148 VAL H H 7.685 0.02 1 607 148 148 VAL CA C 61.459 0.3 1 608 148 148 VAL N N 117.846 0.3 1 609 150 150 THR H H 6.664 0.02 1 610 150 150 THR C C 172.743 0.3 1 611 150 150 THR CA C 59.506 0.3 1 612 150 150 THR CB C 72.142 0.3 1 613 150 150 THR N N 107.005 0.3 1 614 151 151 VAL H H 8.663 0.02 1 615 151 151 VAL C C 171.678 0.3 1 616 151 151 VAL CA C 60.571 0.3 1 617 151 151 VAL N N 119.299 0.3 1 618 152 152 ARG H H 7.256 0.02 1 619 152 152 ARG HB2 H 1.541 0.02 2 620 152 152 ARG HB3 H 1.476 0.02 2 621 152 152 ARG C C 175.662 0.3 1 622 152 152 ARG CA C 56.385 0.3 1 623 152 152 ARG CB C 31.407 0.3 1 624 152 152 ARG N N 125.71 0.3 1 625 153 153 ALA H H 8.215 0.02 1 626 153 153 ALA HA H 4.168 0.02 1 627 153 153 ALA HB H 0.816 0.02 1 628 153 153 ALA C C 177.831 0.3 1 629 153 153 ALA CA C 52.934 0.3 1 630 153 153 ALA CB C 19.005 0.3 1 631 153 153 ALA N N 125.733 0.3 1 632 154 154 HIS H H 8.963 0.02 1 633 154 154 HIS C C 174.596 0.3 1 634 154 154 HIS CA C 57.425 0.3 1 635 154 154 HIS N N 112.496 0.3 1 636 155 155 GLN H H 7.683 0.02 1 637 155 155 GLN HA H 4.506 0.02 1 638 155 155 GLN C C 173.517 0.3 1 639 155 155 GLN CA C 53.137 0.3 1 640 155 155 GLN CB C 28.467 0.3 1 641 155 155 GLN N N 121.46 0.3 1 642 156 156 ALA H H 8.407 0.02 1 643 156 156 ALA HA H 3.904 0.02 1 644 156 156 ALA HB H 1.189 0.02 1 645 156 156 ALA C C 178.25 0.3 1 646 156 156 ALA CA C 53.391 0.3 1 647 156 156 ALA CB C 18.24 0.3 1 648 156 156 ALA N N 129.565 0.3 1 649 157 157 ASN H H 10.253 0.02 1 650 157 157 ASN CA C 54.249 0.3 1 651 157 157 ASN N N 118.639 0.3 1 652 158 158 SER H H 8.567 0.02 1 653 158 158 SER C C 177.083 0.3 1 654 158 158 SER CA C 57.374 0.3 1 655 158 158 SER N N 128.645 0.3 1 656 159 159 HIS H H 8.594 0.02 1 657 159 159 HIS C C 177.4 0.3 1 658 159 159 HIS CA C 57.095 0.3 1 659 159 159 HIS N N 118.925 0.3 1 660 160 160 LYS H H 7.234 0.02 1 661 160 160 LYS C C 174.735 0.3 1 662 160 160 LYS CA C 56.791 0.3 1 663 160 160 LYS CB C 32.695 0.3 1 664 160 160 LYS N N 118.887 0.3 1 665 161 161 GLU H H 11.178 0.02 1 666 161 161 GLU C C 176.207 0.3 1 667 161 161 GLU CA C 56.979 0.3 1 668 161 161 GLU N N 121.426 0.3 1 669 162 162 ARG H H 8.881 0.02 1 670 162 162 ARG C C 176.055 0.3 1 671 162 162 ARG CA C 53.264 0.3 1 672 162 162 ARG N N 117.066 0.3 1 673 163 163 GLY H H 7.932 0.02 1 674 163 163 GLY CA C 45.932 0.3 1 675 163 163 GLY N N 109.64 0.3 1 676 164 164 TRP H H 8.86 0.02 1 677 164 164 TRP C C 178.59 0.3 1 678 164 164 TRP CA C 60.089 0.3 1 679 164 164 TRP N N 122.677 0.3 1 680 165 165 GLU H H 11.038 0.02 1 681 165 165 GLU C C 178.199 0.3 1 682 165 165 GLU CA C 61.459 0.3 1 683 165 165 GLU N N 120.047 0.3 1 684 166 166 GLN H H 7.564 0.02 1 685 166 166 GLN C C 178.757 0.3 1 686 166 166 GLN CA C 59.176 0.3 1 687 166 166 GLN CB C 27.111 0.3 1 688 166 166 GLN N N 119.032 0.3 1 689 167 167 PHE H H 8.15 0.02 1 690 167 167 PHE C C 177.73 0.3 1 691 167 167 PHE CA C 61.942 0.3 1 692 167 167 PHE N N 124.007 0.3 1 693 168 168 THR H H 10.14 0.02 1 694 168 168 THR C C 178.732 0.3 1 695 168 168 THR CA C 66.585 0.3 1 696 168 168 THR CB C 69.434 0.3 1 697 168 168 THR N N 112.207 0.3 1 698 169 169 ASP H H 8.746 0.02 1 699 169 169 ASP HA H 4.426 0.02 1 700 169 169 ASP C C 178.428 0.3 1 701 169 169 ASP CA C 57.527 0.3 1 702 169 169 ASP CB C 39.292 0.3 1 703 169 169 ASP N N 124.859 0.3 1 704 170 170 ALA H H 7.744 0.02 1 705 170 170 ALA HA H 4.219 0.02 1 706 170 170 ALA HB H 1.573 0.02 1 707 170 170 ALA C C 180.749 0.3 1 708 170 170 ALA CA C 55.116 0.3 1 709 170 170 ALA CB C 16.183 0.3 1 710 170 170 ALA N N 126.213 0.3 1 711 171 171 VAL H H 7.614 0.02 1 712 171 171 VAL C C 176.905 0.3 1 713 171 171 VAL CA C 66.813 0.3 1 714 171 171 VAL N N 121.256 0.3 1 715 172 172 VAL H H 7.9 0.02 1 716 172 172 VAL CA C 67.676 0.3 1 717 172 172 VAL N N 119.934 0.3 1 718 173 173 SER H H 8.781 0.02 1 719 173 173 SER HA H 4.088 0.02 1 720 173 173 SER HB2 H 3.929 0.02 2 721 173 173 SER HB3 H 3.856 0.02 2 722 173 173 SER CA C 61.053 0.3 1 723 173 173 SER CB C 62.235 0.3 1 724 173 173 SER N N 114.947 0.3 1 725 174 174 TRP H H 8.269 0.02 1 726 174 174 TRP C C 179.985 0.3 1 727 174 174 TRP CA C 63.21 0.3 1 728 174 174 TRP N N 123.208 0.3 1 729 175 175 LEU H H 8.194 0.02 1 730 175 175 LEU CA C 57.744 0.3 1 731 175 175 LEU N N 121.34 0.3 1 732 176 176 ASN H H 8.732 0.02 1 733 176 176 ASN HA H 4.194 0.02 1 734 176 176 ASN C C 177.958 0.3 1 735 176 176 ASN CA C 55.446 0.3 1 736 176 176 ASN CB C 40.129 0.3 1 737 176 176 ASN N N 116.087 0.3 1 738 177 177 GLN H H 7.845 0.02 1 739 177 177 GLN HA H 4.078 0.02 1 740 177 177 GLN HB2 H 1.867 0.02 2 741 177 177 GLN HB3 H 1.809 0.02 2 742 177 177 GLN C C 176.799 0.3 1 743 177 177 GLN CA C 57.311 0.3 1 744 177 177 GLN CB C 29.902 0.3 1 745 177 177 GLN N N 114.55 0.3 1 746 178 178 ASN H H 7.868 0.02 1 747 178 178 ASN HA H 4.361 0.02 1 748 178 178 ASN HB2 H 1.87 0.02 2 749 178 178 ASN HB3 H 1.819 0.02 2 750 178 178 ASN C C 174.012 0.3 1 751 178 178 ASN CA C 54.076 0.3 1 752 178 178 ASN CB C 38.8 0.3 1 753 178 178 ASN N N 114.537 0.3 1 754 179 179 SER H H 7.567 0.02 1 755 179 179 SER HA H 4.668 0.02 1 756 179 179 SER HB2 H 3.885 0.02 2 757 179 179 SER HB3 H 3.784 0.02 2 758 179 179 SER C C 171.779 0.3 1 759 179 179 SER CA C 57.552 0.3 1 760 179 179 SER CB C 63.796 0.3 1 761 179 179 SER N N 117.124 0.3 1 762 180 180 ASN H H 8.653 0.02 1 763 180 180 ASN HA H 4.499 0.02 1 764 180 180 ASN HB2 H 2.527 0.02 2 765 180 180 ASN HB3 H 2.426 0.02 2 766 180 180 ASN C C 173.67 0.3 1 767 180 180 ASN CA C 53.594 0.3 1 768 180 180 ASN CB C 42.402 0.3 1 769 180 180 ASN N N 118.48 0.3 1 770 181 181 GLY H H 8.07 0.02 1 771 181 181 GLY CA C 47.048 0.3 1 772 181 181 GLY N N 114.469 0.3 1 773 182 182 LEU H H 10.556 0.02 1 774 182 182 LEU C C 176.271 0.3 1 775 182 182 LEU CA C 55.015 0.3 1 776 182 182 LEU CB C 42.409 0.3 1 777 182 182 LEU N N 124.136 0.3 1 778 183 183 VAL H H 7.416 0.02 1 779 183 183 VAL C C 174.824 0.3 1 780 183 183 VAL CA C 61.18 0.3 1 781 183 183 VAL N N 118.959 0.3 1 782 184 184 PHE H H 9.345 0.02 1 783 184 184 PHE C C 173.149 0.3 1 784 184 184 PHE CA C 56.08 0.3 1 785 184 184 PHE N N 127.18 0.3 1 786 185 185 LEU H H 8.714 0.02 1 787 185 185 LEU C C 175.129 0.3 1 788 185 185 LEU CA C 53.163 0.3 1 789 185 185 LEU N N 124.621 0.3 1 790 186 186 LEU H H 8.707 0.02 1 791 186 186 LEU C C 174.203 0.3 1 792 186 186 LEU CA C 52.478 0.3 1 793 186 186 LEU N N 123.465 0.3 1 794 187 187 TRP H H 9.741 0.02 1 795 187 187 TRP C C 177.07 0.3 1 796 187 187 TRP CA C 52.499 0.3 1 797 187 187 TRP N N 130.723 0.3 1 798 188 188 GLY H H 9.205 0.02 1 799 188 188 GLY C C 173.061 0.3 1 800 188 188 GLY CA C 44.303 0.3 1 801 188 188 GLY N N 114.038 0.3 1 802 189 189 SER H H 8.661 0.02 1 803 189 189 SER CA C 61.688 0.3 1 804 189 189 SER N N 116.463 0.3 1 805 190 190 TYR H H 8.478 0.02 1 806 190 190 TYR CA C 62.17 0.3 1 807 190 190 TYR N N 126.539 0.3 1 808 191 191 ALA H H 9.213 0.02 1 809 191 191 ALA HB H 1.462 0.02 1 810 191 191 ALA C C 179.189 0.3 1 811 191 191 ALA CA C 54.685 0.3 1 812 191 191 ALA CB C 18.705 0.3 1 813 191 191 ALA N N 124.971 0.3 1 814 192 192 GLN H H 7.865 0.02 1 815 192 192 GLN HA H 3.784 0.02 1 816 192 192 GLN C C 178.846 0.3 1 817 192 192 GLN CA C 58.592 0.3 1 818 192 192 GLN N N 116.108 0.3 1 819 193 193 LYS H H 8.005 0.02 1 820 193 193 LYS C C 179.811 0.3 1 821 193 193 LYS CA C 59.049 0.3 1 822 193 193 LYS CB C 31.158 0.3 1 823 193 193 LYS N N 122.294 0.3 1 824 194 194 LYS H H 7.849 0.02 1 825 194 194 LYS C C 177.857 0.3 1 826 194 194 LYS CA C 57.983 0.3 1 827 194 194 LYS N N 123.343 0.3 1 828 195 195 GLY H H 7.869 0.02 1 829 195 195 GLY C C 174.416 0.3 1 830 195 195 GLY CA C 43.978 0.3 1 831 195 195 GLY N N 105.14 0.3 1 832 196 196 SER H H 7.376 0.02 1 833 196 196 SER CA C 61.459 0.3 1 834 196 196 SER CB C 62.855 0.3 1 835 196 196 SER N N 117.955 0.3 1 836 197 197 ALA H H 8.287 0.02 1 837 197 197 ALA HA H 4.371 0.02 1 838 197 197 ALA HB H 1.203 0.02 1 839 197 197 ALA C C 176.854 0.3 1 840 197 197 ALA CA C 51.031 0.3 1 841 197 197 ALA CB C 18.479 0.3 1 842 197 197 ALA N N 123.933 0.3 1 843 198 198 ILE H H 6.736 0.02 1 844 198 198 ILE HA H 4.357 0.02 1 845 198 198 ILE HB H 1.099 0.02 1 846 198 198 ILE C C 175.979 0.3 1 847 198 198 ILE CA C 61.053 0.3 1 848 198 198 ILE N N 121.175 0.3 1 849 199 199 ASP H H 9.037 0.02 1 850 199 199 ASP C C 176.258 0.3 1 851 199 199 ASP CA C 54.178 0.3 1 852 199 199 ASP N N 129.571 0.3 1 853 200 200 ARG H H 7.813 0.02 1 854 200 200 ARG HA H 4.088 0.02 1 855 200 200 ARG CA C 59.836 0.3 1 856 200 200 ARG N N 113.236 0.3 1 857 201 201 LYS H H 9.791 0.02 1 858 201 201 LYS C C 173.847 0.3 1 859 201 201 LYS CA C 53.213 0.3 1 860 201 201 LYS N N 123.168 0.3 1 861 202 202 ARG H H 7.236 0.02 1 862 202 202 ARG C C 174.862 0.3 1 863 202 202 ARG CA C 56.512 0.3 1 864 202 202 ARG CB C 33.132 0.3 1 865 202 202 ARG N N 119.231 0.3 1 866 203 203 HIS H H 7.751 0.02 1 867 203 203 HIS HA H 4.68 0.02 1 868 203 203 HIS C C 173.023 0.3 1 869 203 203 HIS CA C 53.975 0.3 1 870 203 203 HIS CB C 34.627 0.3 1 871 203 203 HIS N N 119.439 0.3 1 872 204 204 HIS H H 9.063 0.02 1 873 204 204 HIS HA H 4.868 0.02 1 874 204 204 HIS C C 174.444 0.3 1 875 204 204 HIS CA C 54.127 0.3 1 876 204 204 HIS CB C 32.534 0.3 1 877 204 204 HIS N N 119.28 0.3 1 878 205 205 VAL H H 8.862 0.02 1 879 205 205 VAL HA H 4.752 0.02 1 880 205 205 VAL C C 174.672 0.3 1 881 205 205 VAL CA C 61.459 0.3 1 882 205 205 VAL CB C 33.192 0.3 1 883 205 205 VAL N N 124.416 0.3 1 884 206 206 LEU H H 9.044 0.02 1 885 206 206 LEU HB2 H 1.885 0.02 2 886 206 206 LEU HB3 H 1.848 0.02 2 887 206 206 LEU C C 174.786 0.3 1 888 206 206 LEU CA C 53.366 0.3 1 889 206 206 LEU N N 131.863 0.3 1 890 207 207 GLN H H 8.702 0.02 1 891 207 207 GLN HA H 5.807 0.02 1 892 207 207 GLN C C 175.383 0.3 1 893 207 207 GLN CA C 53.645 0.3 1 894 207 207 GLN CB C 32.354 0.3 1 895 207 207 GLN N N 119.955 0.3 1 896 208 208 THR H H 8.423 0.02 1 897 208 208 THR C C 172.261 0.3 1 898 208 208 THR CA C 60.368 0.3 1 899 208 208 THR N N 116.594 0.3 1 900 209 209 ALA H H 7.793 0.02 1 901 209 209 ALA HB H 1.211 0.02 1 902 209 209 ALA C C 173.467 0.3 1 903 209 209 ALA CA C 51.082 0.3 1 904 209 209 ALA CB C 20.214 0.3 1 905 209 209 ALA N N 125.526 0.3 1 906 210 210 HIS H H 8.289 0.02 1 907 210 210 HIS C C 180.838 0.3 1 908 210 210 HIS CA C 56.004 0.3 1 909 210 210 HIS N N 118.735 0.3 1 910 212 212 SER H H 10.266 0.02 1 911 212 212 SER HA H 4.509 0.02 1 912 212 212 SER C C 173.416 0.3 1 913 212 212 SER CA C 56.994 0.3 1 914 212 212 SER CB C 62.775 0.3 1 915 212 212 SER N N 122.64 0.3 1 916 214 214 LEU H H 7.833 0.02 1 917 214 214 LEU HB2 H 1.623 0.02 2 918 214 214 LEU HB3 H 1.531 0.02 2 919 214 214 LEU C C 177.476 0.3 1 920 214 214 LEU CA C 56.766 0.3 1 921 214 214 LEU CB C 41.624 0.3 1 922 214 214 LEU N N 115.302 0.3 1 923 215 215 SER H H 7.972 0.02 1 924 215 215 SER HB2 H 3.528 0.02 2 925 215 215 SER HB3 H 3.457 0.02 2 926 215 215 SER C C 175.877 0.3 1 927 215 215 SER CA C 58.009 0.3 1 928 215 215 SER CB C 65.357 0.3 1 929 215 215 SER N N 111.232 0.3 1 930 216 216 VAL H H 7.939 0.02 1 931 216 216 VAL C C 175.078 0.3 1 932 216 216 VAL CA C 64.327 0.3 1 933 216 216 VAL N N 126.394 0.3 1 934 217 217 TYR H H 7.66 0.02 1 935 217 217 TYR HA H 4.666 0.02 1 936 217 217 TYR C C 175.941 0.3 1 937 217 217 TYR CA C 59.379 0.3 1 938 217 217 TYR CB C 36.302 0.3 1 939 217 217 TYR N N 118.042 0.3 1 940 218 218 ARG H H 8.141 0.02 1 941 218 218 ARG C C 176.131 0.3 1 942 218 218 ARG CA C 54.786 0.3 1 943 218 218 ARG N N 121.658 0.3 1 944 219 219 GLY H H 7.401 0.02 1 945 219 219 GLY C C 173.53 0.3 1 946 219 219 GLY CA C 45.399 0.3 1 947 219 219 GLY N N 107.075 0.3 1 948 220 220 PHE H H 6.972 0.02 1 949 220 220 PHE C C 177.413 0.3 1 950 220 220 PHE CA C 61.662 0.3 1 951 220 220 PHE N N 122.468 0.3 1 952 221 221 PHE H H 7.155 0.02 1 953 221 221 PHE C C 178.098 0.3 1 954 221 221 PHE CA C 55.015 0.3 1 955 221 221 PHE CB C 36.207 0.3 1 956 221 221 PHE N N 117.869 0.3 1 957 222 222 GLY H H 11.089 0.02 1 958 222 222 GLY CA C 44.561 0.3 1 959 222 222 GLY N N 118.569 0.3 1 960 223 223 CYS H H 7.82 0.02 1 961 223 223 CYS C C 174.9 0.3 1 962 223 223 CYS CA C 59.273 0.3 1 963 223 223 CYS N N 120.709 0.3 1 964 224 224 ARG H H 9.055 0.02 1 965 224 224 ARG C C 176.309 0.3 1 966 224 224 ARG CA C 58.009 0.3 1 967 224 224 ARG N N 119.827 0.3 1 968 225 225 HIS H H 7.103 0.02 1 969 225 225 HIS HA H 3.912 0.02 1 970 225 225 HIS C C 176.677 0.3 1 971 225 225 HIS CA C 58.034 0.3 1 972 225 225 HIS CB C 32.154 0.3 1 973 225 225 HIS N N 113.392 0.3 1 974 226 226 PHE H H 7.398 0.02 1 975 226 226 PHE C C 178.199 0.3 1 976 226 226 PHE CA C 61.256 0.3 1 977 226 226 PHE CB C 35.883 0.3 1 978 226 226 PHE N N 124.361 0.3 1 979 227 227 SER H H 10.196 0.02 1 980 227 227 SER CA C 61.079 0.3 1 981 227 227 SER N N 123.241 0.3 1 982 228 228 LYS H H 8.096 0.02 1 983 228 228 LYS HA H 4.035 0.02 1 984 228 228 LYS C C 178.948 0.3 1 985 228 228 LYS CA C 59.404 0.3 1 986 228 228 LYS CB C 32.594 0.3 1 987 228 228 LYS N N 127.208 0.3 1 988 229 229 THR H H 7.994 0.02 1 989 229 229 THR CA C 68.158 0.3 1 990 229 229 THR N N 117.927 0.3 1 991 230 230 ASN H H 7.164 0.02 1 992 230 230 ASN HA H 4.738 0.02 1 993 230 230 ASN C C 177.78 0.3 1 994 230 230 ASN CA C 55.116 0.3 1 995 230 230 ASN CB C 37.078 0.3 1 996 230 230 ASN N N 120.841 0.3 1 997 231 231 GLU H H 8.119 0.02 1 998 231 231 GLU HA H 4.038 0.02 1 999 231 231 GLU HB2 H 2.172 0.02 2 1000 231 231 GLU HB3 H 2.092 0.02 2 1001 231 231 GLU C C 178.884 0.3 1 1002 231 231 GLU CA C 59.328 0.3 1 1003 231 231 GLU CB C 29.244 0.3 1 1004 231 231 GLU N N 124.327 0.3 1 1005 232 232 LEU H H 7.959 0.02 1 1006 232 232 LEU CA C 57.501 0.3 1 1007 232 232 LEU N N 121.423 0.3 1 1008 233 233 LEU H H 8.68 0.02 1 1009 233 233 LEU C C 179.341 0.3 1 1010 233 233 LEU CA C 57.933 0.3 1 1011 233 233 LEU N N 121.751 0.3 1 1012 234 234 GLN H H 8.132 0.02 1 1013 234 234 GLN HA H 4.233 0.02 1 1014 234 234 GLN HB2 H 2.153 0.02 2 1015 234 234 GLN HB3 H 2.095 0.02 2 1016 234 234 GLN C C 180.343 0.3 1 1017 234 234 GLN CA C 59.252 0.3 1 1018 234 234 GLN CB C 28.527 0.3 1 1019 234 234 GLN N N 119.618 0.3 1 1020 235 235 LYS H H 8.079 0.02 1 1021 235 235 LYS HA H 4.081 0.02 1 1022 235 235 LYS HB2 H 1.962 0.02 2 1023 235 235 LYS HB3 H 1.904 0.02 2 1024 235 235 LYS C C 177.768 0.3 1 1025 235 235 LYS CA C 58.897 0.3 1 1026 235 235 LYS CB C 32.154 0.3 1 1027 235 235 LYS N N 122.072 0.3 1 1028 236 236 SER H H 7.541 0.02 1 1029 236 236 SER HA H 4.654 0.02 1 1030 236 236 SER C C 173.974 0.3 1 1031 236 236 SER CA C 58.085 0.3 1 1032 236 236 SER CB C 63.692 0.3 1 1033 236 236 SER N N 113.8 0.3 1 1034 237 237 GLY H H 7.903 0.02 1 1035 237 237 GLY HA2 H 3.82 0.02 2 1036 237 237 GLY HA3 H 3.762 0.02 2 1037 237 237 GLY C C 174.152 0.3 1 1038 237 237 GLY CA C 45.703 0.3 1 1039 237 237 GLY N N 110.513 0.3 1 1040 238 238 LYS H H 7.992 0.02 1 1041 238 238 LYS HA H 4.47 0.02 1 1042 238 238 LYS C C 175.141 0.3 1 1043 238 238 LYS CA C 54.152 0.3 1 1044 238 238 LYS CB C 32.594 0.3 1 1045 238 238 LYS N N 120.797 0.3 1 1046 239 239 LYS H H 8.255 0.02 1 1047 239 239 LYS C C 174.367 0.3 1 1048 239 239 LYS CA C 53.949 0.3 1 1049 239 239 LYS CB C 32.515 0.3 1 1050 239 239 LYS N N 123.837 0.3 1 1051 242 242 ASP H H 9.242 0.02 1 1052 242 242 ASP HA H 4.849 0.02 1 1053 242 242 ASP C C 177.489 0.3 1 1054 242 242 ASP CA C 51.742 0.3 1 1055 242 242 ASP N N 127.815 0.3 1 1056 243 243 TRP H H 7.836 0.02 1 1057 243 243 TRP C C 176.861 0.3 1 1058 243 243 TRP CA C 58.288 0.3 1 1059 243 243 TRP CB C 30.74 0.3 1 1060 243 243 TRP N N 127.739 0.3 1 1061 244 244 LYS H H 8.218 0.02 1 1062 244 244 LYS C C 176.156 0.3 1 1063 244 244 LYS CA C 56.537 0.3 1 1064 244 244 LYS CB C 31.996 0.3 1 1065 244 244 LYS N N 113.366 0.3 1 1066 245 245 GLU H H 7.49 0.02 1 1067 245 245 GLU HA H 4.252 0.02 1 1068 245 245 GLU HB2 H 1.674 0.02 2 1069 245 245 GLU HB3 H 1.602 0.02 2 1070 245 245 GLU C C 171.64 0.3 1 1071 245 245 GLU CA C 56.004 0.3 1 1072 245 245 GLU CB C 27.689 0.3 1 1073 245 245 GLU N N 125.571 0.3 1 1074 246 246 LEU H H 7.203 0.02 1 1075 246 246 LEU CA C 54.964 0.3 1 1076 246 246 LEU N N 131.641 0.3 1 stop_ save_ save_assigned_chemical_shifts_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $sample_conditions_4 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C-terminal UNG2' _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 93 26 CYS H H 8.158 0.020 1 2 93 26 CYS HA H 4.353 0.020 1 3 93 26 CYS C C 172.807 0.3 1 4 93 26 CYS CA C 56.233 0.3 1 5 93 26 CYS N N 118.242 0.3 1 6 94 27 PHE H H 7.647 0.020 1 7 94 27 PHE C C 175.035 0.3 1 8 94 27 PHE CA C 56.055 0.3 1 9 94 27 PHE N N 124.056 0.3 1 10 95 28 GLY H H 8.144 0.020 1 11 95 28 GLY C C 175.141 0.3 1 12 95 28 GLY CA C 46.840 0.3 1 13 95 28 GLY N N 112.989 0.3 1 14 96 29 GLU H H 9.097 0.020 1 15 96 29 GLU C C 178.618 0.3 1 16 96 29 GLU CA C 60.368 0.3 1 17 96 29 GLU N N 127.296 0.3 1 18 97 30 SER H H 9.056 0.020 1 19 97 30 SER C C 175.712 0.3 1 20 97 30 SER CA C 61.504 0.3 1 21 97 30 SER N N 116.417 0.3 1 22 98 31 TRP H H 7.086 0.020 1 23 98 31 TRP C C 177.856 0.3 1 24 98 31 TRP CA C 59.244 0.3 1 25 98 31 TRP CB C 28.492 0.3 1 26 98 31 TRP N N 123.328 0.3 1 27 99 32 LYS H H 8.713 0.020 1 28 99 32 LYS C C 177.384 0.3 1 29 99 32 LYS CA C 60.229 0.3 1 30 99 32 LYS N N 122.813 0.3 1 31 100 33 LYS H H 7.776 0.020 1 32 100 33 LYS HA H 3.807 0.020 1 33 100 33 LYS C C 177.895 0.3 1 34 100 33 LYS CA C 58.896 0.3 1 35 100 33 LYS CB C 31.637 0.3 1 36 100 33 LYS N N 117.078 0.3 1 37 101 34 HIS H H 6.675 0.020 1 38 101 34 HIS HA H 4.477 0.020 1 39 101 34 HIS C C 176.414 0.3 1 40 101 34 HIS CA C 57.534 0.3 1 41 101 34 HIS CB C 30.653 0.3 1 42 101 34 HIS N N 115.105 0.3 1 43 102 35 LEU H H 7.762 0.020 1 44 102 35 LEU C C 176.312 0.3 1 45 102 35 LEU CA C 54.230 0.3 1 46 102 35 LEU N N 118.631 0.3 1 47 103 36 SER H H 7.482 0.020 1 48 103 36 SER C C 176.321 0.3 1 49 103 36 SER CA C 60.403 0.3 1 50 103 36 SER CB C 62.235 0.3 1 51 103 36 SER N N 114.807 0.3 1 52 104 37 GLY H H 8.606 0.020 1 53 104 37 GLY C C 176.414 0.3 1 54 104 37 GLY CA C 46.376 0.3 1 55 104 37 GLY N N 113.122 0.3 1 56 105 38 GLU H H 7.847 0.020 1 57 105 38 GLU HA H 3.966 0.020 1 58 105 38 GLU C C 177.447 0.3 1 59 105 38 GLU CA C 57.505 0.3 1 60 105 38 GLU N N 117.804 0.3 1 61 106 39 PHE H H 6.589 0.020 1 62 106 39 PHE C C 176.030 0.3 1 63 106 39 PHE CA C 55.708 0.3 1 64 106 39 PHE N N 112.980 0.3 1 65 107 40 GLY H H 7.247 0.020 1 66 107 40 GLY C C 174.921 0.3 1 67 107 40 GLY CA C 43.884 0.3 1 68 107 40 GLY N N 102.168 0.3 1 69 108 41 LYS H H 7.447 0.020 1 70 108 41 LYS C C 175.611 0.3 1 71 108 41 LYS CA C 55.243 0.3 1 72 108 41 LYS N N 123.329 0.3 1 73 110 43 TYR H H 8.701 0.020 1 74 110 43 TYR HA H 4.264 0.020 1 75 110 43 TYR C C 176.350 0.3 1 76 110 43 TYR CA C 60.548 0.3 1 77 110 43 TYR CB C 35.464 0.3 1 78 110 43 TYR N N 115.367 0.3 1 79 111 44 PHE H H 6.588 0.020 1 80 111 44 PHE C C 176.930 0.3 1 81 111 44 PHE CA C 60.780 0.3 1 82 111 44 PHE N N 129.877 0.3 1 83 112 45 ILE H H 7.543 0.020 1 84 112 45 ILE C C 179.808 0.3 1 85 112 45 ILE CA C 64.953 0.3 1 86 112 45 ILE N N 121.994 0.3 1 87 113 46 LYS H H 7.963 0.020 1 88 113 46 LYS HA H 3.916 0.020 1 89 113 46 LYS C C 179.106 0.3 1 90 113 46 LYS CA C 59.227 0.3 1 91 113 46 LYS CB C 31.931 0.3 1 92 113 46 LYS N N 121.541 0.3 1 93 114 47 LEU H H 7.705 0.020 1 94 114 47 LEU C C 177.498 0.3 1 95 114 47 LEU CA C 57.998 0.3 1 96 114 47 LEU N N 124.745 0.3 1 97 115 48 MET H H 8.223 0.020 1 98 115 48 MET HA H 4.285 0.020 1 99 115 48 MET C C 180.229 0.3 1 100 115 48 MET CA C 57.389 0.3 1 101 115 48 MET N N 117.422 0.3 1 102 116 49 GLY H H 7.890 0.020 1 103 116 49 GLY HA2 H 3.865 0.020 2 104 116 49 GLY HA3 H 3.807 0.020 2 105 116 49 GLY C C 175.497 0.3 1 106 116 49 GLY CA C 46.898 0.3 1 107 116 49 GLY N N 109.024 0.3 1 108 117 50 PHE H H 8.109 0.020 1 109 117 50 PHE C C 176.388 0.3 1 110 117 50 PHE CA C 60.548 0.3 1 111 117 50 PHE N N 126.039 0.3 1 112 118 51 VAL H H 8.595 0.020 1 113 118 51 VAL C C 177.235 0.3 1 114 118 51 VAL CA C 67.272 0.3 1 115 118 51 VAL N N 120.612 0.3 1 116 119 52 ALA H H 7.836 0.020 1 117 119 52 ALA HA H 3.959 0.020 1 118 119 52 ALA HB H 1.410 0.020 1 119 119 52 ALA C C 180.587 0.3 1 120 119 52 ALA CA C 55.186 0.3 1 121 119 52 ALA CB C 17.684 0.3 1 122 119 52 ALA N N 120.885 0.3 1 123 120 53 GLU H H 7.789 0.020 1 124 120 53 GLU C C 179.400 0.3 1 125 120 53 GLU CA C 59.012 0.3 1 126 120 53 GLU CB C 28.792 0.3 1 127 120 53 GLU N N 120.671 0.3 1 128 121 54 GLU H H 8.297 0.020 1 129 121 54 GLU C C 178.481 0.3 1 130 121 54 GLU CA C 60.292 0.3 1 131 121 54 GLU N N 121.719 0.3 1 132 122 55 ARG H H 8.192 0.020 1 133 122 55 ARG C C 177.527 0.3 1 134 122 55 ARG CA C 59.049 0.3 1 135 122 55 ARG N N 115.910 0.3 1 136 123 56 LYS H H 7.423 0.020 1 137 123 56 LYS HA H 3.948 0.020 1 138 123 56 LYS C C 177.281 0.3 1 139 123 56 LYS CA C 58.114 0.3 1 140 123 56 LYS CB C 32.034 0.3 1 141 123 56 LYS N N 118.326 0.3 1 142 124 57 HIS H H 6.990 0.020 1 143 124 57 HIS C C 173.747 0.3 1 144 124 57 HIS CA C 56.346 0.3 1 145 124 57 HIS CB C 31.517 0.3 1 146 124 57 HIS N N 115.624 0.3 1 147 125 58 TYR H H 8.599 0.020 1 148 125 58 TYR HA H 4.742 0.020 1 149 125 58 TYR C C 174.767 0.3 1 150 125 58 TYR CA C 55.852 0.3 1 151 125 58 TYR CB C 41.461 0.3 1 152 125 58 TYR N N 119.840 0.3 1 153 126 59 THR H H 8.733 0.020 1 154 126 59 THR C C 172.190 0.3 1 155 126 59 THR CA C 63.533 0.3 1 156 126 59 THR N N 119.061 0.3 1 157 127 60 VAL H H 8.157 0.020 1 158 127 60 VAL C C 173.555 0.3 1 159 127 60 VAL CA C 59.736 0.3 1 160 127 60 VAL N N 129.904 0.3 1 161 128 61 TYR H H 9.029 0.020 1 162 128 61 TYR C C 173.911 0.3 1 163 128 61 TYR CA C 52.604 0.3 1 164 128 61 TYR N N 127.770 0.3 1 165 132 65 HIS H H 8.282 0.020 1 166 132 65 HIS C C 175.482 0.3 1 167 132 65 HIS CA C 57.552 0.3 1 168 132 65 HIS N N 112.846 0.3 1 169 133 66 GLN H H 7.886 0.020 1 170 133 66 GLN C C 174.602 0.3 1 171 133 66 GLN CA C 54.027 0.3 1 172 133 66 GLN N N 120.551 0.3 1 173 134 67 VAL H H 6.835 0.020 1 174 134 67 VAL C C 176.899 0.3 1 175 134 67 VAL CA C 65.722 0.3 1 176 134 67 VAL N N 121.248 0.3 1 177 135 68 PHE H H 8.366 0.020 1 178 135 68 PHE C C 178.481 0.3 1 179 135 68 PHE CA C 54.984 0.3 1 180 135 68 PHE N N 113.270 0.3 1 181 136 69 THR H H 7.347 0.020 1 182 136 69 THR C C 174.448 0.3 1 183 136 69 THR CA C 66.026 0.3 1 184 136 69 THR CB C 68.539 0.3 1 185 136 69 THR N N 120.272 0.3 1 186 137 70 TRP H H 6.950 0.020 1 187 137 70 TRP C C 175.852 0.3 1 188 137 70 TRP CA C 55.776 0.3 1 189 137 70 TRP N N 116.733 0.3 1 190 138 71 THR H H 6.784 0.020 1 191 138 71 THR C C 174.423 0.3 1 192 138 71 THR CA C 61.215 0.3 1 193 138 71 THR N N 110.525 0.3 1 194 139 72 GLN H H 7.465 0.020 1 195 139 72 GLN C C 176.962 0.3 1 196 139 72 GLN CA C 55.954 0.3 1 197 139 72 GLN N N 119.088 0.3 1 198 140 73 MET H H 7.056 0.020 1 199 140 73 MET HA H 4.527 0.020 1 200 140 73 MET C C 175.023 0.3 1 201 140 73 MET CA C 55.418 0.3 1 202 140 73 MET CB C 33.192 0.3 1 203 140 73 MET N N 115.661 0.3 1 204 141 74 CYS H H 7.529 0.020 1 205 141 74 CYS HA H 4.781 0.020 1 206 141 74 CYS C C 171.986 0.3 1 207 141 74 CYS CA C 55.770 0.3 1 208 141 74 CYS CB C 29.962 0.3 1 209 141 74 CYS N N 112.017 0.3 1 210 142 75 ASP H H 9.179 0.020 1 211 142 75 ASP C C 177.511 0.3 1 212 142 75 ASP CA C 53.797 0.3 1 213 142 75 ASP CB C 42.601 0.3 1 214 142 75 ASP N N 125.680 0.3 1 215 143 76 ILE H H 7.487 0.020 1 216 143 76 ILE C C 176.106 0.3 1 217 143 76 ILE CA C 64.931 0.3 1 218 143 76 ILE N N 132.178 0.3 1 219 144 77 LYS H H 8.858 0.020 1 220 144 77 LYS HA H 4.082 0.020 1 221 144 77 LYS HB2 H 1.777 0.020 2 222 144 77 LYS HB3 H 1.719 0.020 2 223 144 77 LYS C C 176.860 0.3 1 224 144 77 LYS CA C 57.298 0.3 1 225 144 77 LYS CB C 31.039 0.3 1 226 144 77 LYS N N 120.933 0.3 1 227 145 78 ASP H H 7.851 0.020 1 228 145 78 ASP C C 175.801 0.3 1 229 145 78 ASP CA C 53.998 0.3 1 230 145 78 ASP N N 119.692 0.3 1 231 146 79 VAL H H 6.796 0.020 1 232 146 79 VAL C C 175.546 0.3 1 233 146 79 VAL CA C 64.808 0.3 1 234 146 79 VAL N N 120.550 0.3 1 235 147 80 LYS H H 9.597 0.020 1 236 147 80 LYS C C 174.346 0.3 1 237 147 80 LYS CA C 56.954 0.3 1 238 147 80 LYS N N 126.890 0.3 1 239 148 81 VAL H H 7.707 0.020 1 240 148 81 VAL C C 173.070 0.3 1 241 148 81 VAL CA C 58.770 0.3 1 242 148 81 VAL CB C 36.421 0.3 1 243 148 81 VAL N N 120.352 0.3 1 244 149 82 VAL H H 9.165 0.020 1 245 149 82 VAL HA H 4.549 0.020 1 246 149 82 VAL C C 173.223 0.3 1 247 149 82 VAL CA C 60.635 0.3 1 248 149 82 VAL N N 128.015 0.3 1 249 150 83 ILE H H 9.079 0.020 1 250 150 83 ILE C C 174.448 0.3 1 251 150 83 ILE CA C 61.012 0.3 1 252 150 83 ILE N N 128.399 0.3 1 253 151 84 LEU H H 5.940 0.020 1 254 151 84 LEU C C 176.873 0.3 1 255 151 84 LEU CA C 53.042 0.3 1 256 151 84 LEU N N 123.184 0.3 1 257 152 85 GLY H H 8.540 0.020 1 258 152 85 GLY C C 171.969 0.3 1 259 152 85 GLY CA C 42.988 0.3 1 260 152 85 GLY N N 111.883 0.3 1 261 153 86 GLN H H 8.019 0.020 1 262 153 86 GLN C C 171.539 0.3 1 263 153 86 GLN CA C 56.766 0.3 1 264 153 86 GLN CB C 28.467 0.3 1 265 153 86 GLN N N 123.466 0.3 1 266 154 87 ASP H H 7.631 0.020 1 267 154 87 ASP HA H 5.170 0.020 1 268 154 87 ASP C C 173.035 0.3 1 269 154 87 ASP CA C 51.274 0.3 1 270 154 87 ASP CB C 43.202 0.3 1 271 154 87 ASP N N 122.034 0.3 1 272 156 89 TYR H H 6.930 0.020 1 273 156 89 TYR C C 177.218 0.3 1 274 156 89 TYR CA C 59.012 0.3 1 275 156 89 TYR CB C 39.651 0.3 1 276 156 89 TYR N N 118.949 0.3 1 277 157 90 HIS H H 7.923 0.020 1 278 157 90 HIS C C 174.984 0.3 1 279 157 90 HIS CA C 54.863 0.3 1 280 157 90 HIS N N 116.897 0.3 1 281 158 91 GLY H H 7.339 0.020 1 282 158 91 GLY C C 171.703 0.3 1 283 158 91 GLY CA C 43.090 0.3 1 284 158 91 GLY N N 110.097 0.3 1 285 160 93 ASN H H 7.517 0.020 1 286 160 93 ASN C C 173.249 0.3 1 287 160 93 ASN CA C 54.685 0.3 1 288 160 93 ASN CB C 37.403 0.3 1 289 160 93 ASN N N 115.409 0.3 1 290 161 94 GLN H H 6.565 0.020 1 291 161 94 GLN HA H 4.039 0.020 1 292 161 94 GLN C C 175.265 0.3 1 293 161 94 GLN CA C 58.316 0.3 1 294 161 94 GLN N N 115.984 0.3 1 295 162 95 ALA H H 9.191 0.020 1 296 162 95 ALA HB H 1.596 0.020 1 297 162 95 ALA C C 179.566 0.3 1 298 162 95 ALA CA C 52.016 0.3 1 299 162 95 ALA CB C 19.018 0.3 1 300 162 95 ALA N N 120.989 0.3 1 301 163 96 HIS H H 9.152 0.020 1 302 163 96 HIS HA H 4.793 0.020 1 303 163 96 HIS C C 174.015 0.3 1 304 163 96 HIS CA C 55.273 0.3 1 305 163 96 HIS N N 117.652 0.3 1 306 164 97 GLY H H 8.386 0.020 1 307 164 97 GLY C C 173.351 0.3 1 308 164 97 GLY CA C 46.439 0.3 1 309 164 97 GLY N N 110.090 0.3 1 310 165 98 LEU H H 6.085 0.020 1 311 165 98 LEU C C 175.980 0.3 1 312 165 98 LEU CA C 51.767 0.3 1 313 165 98 LEU N N 116.537 0.3 1 314 166 99 CYS H H 7.742 0.020 1 315 166 99 CYS C C 173.211 0.3 1 316 166 99 CYS CA C 58.085 0.3 1 317 166 99 CYS N N 125.421 0.3 1 318 167 100 PHE H H 7.876 0.020 1 319 167 100 PHE C C 176.044 0.3 1 320 167 100 PHE CA C 63.794 0.3 1 321 167 100 PHE N N 113.261 0.3 1 322 168 101 SER H H 7.601 0.020 1 323 168 101 SER C C 174.474 0.3 1 324 168 101 SER CA C 58.146 0.3 1 325 168 101 SER N N 119.534 0.3 1 326 169 102 VAL H H 8.953 0.020 1 327 169 102 VAL C C 174.716 0.3 1 328 169 102 VAL CA C 59.277 0.3 1 329 169 102 VAL N N 121.773 0.3 1 330 170 103 GLN H H 7.897 0.020 1 331 170 103 GLN C C 176.350 0.3 1 332 170 103 GLN CA C 55.563 0.3 1 333 170 103 GLN CB C 29.512 0.3 1 334 170 103 GLN N N 121.560 0.3 1 335 171 104 ARG H H 9.016 0.020 1 336 171 104 ARG C C 175.560 0.3 1 337 171 104 ARG CA C 55.370 0.3 1 338 171 104 ARG CB C 29.392 0.3 1 339 171 104 ARG N N 124.310 0.3 1 340 173 106 VAL H H 8.841 0.020 1 341 173 106 VAL C C 174.012 0.3 1 342 173 106 VAL CA C 61.794 0.3 1 343 173 106 VAL CB C 31.854 0.3 1 344 173 106 VAL N N 131.161 0.3 1 345 178 111 SER H H 8.658 0.020 1 346 178 111 SER C C 174.837 0.3 1 347 178 111 SER CA C 62.142 0.3 1 348 178 111 SER N N 112.180 0.3 1 349 179 112 LEU H H 6.965 0.020 1 350 179 112 LEU C C 177.230 0.3 1 351 179 112 LEU CA C 56.027 0.3 1 352 179 112 LEU N N 123.087 0.3 1 353 180 113 GLU H H 8.137 0.020 1 354 180 113 GLU C C 180.140 0.3 1 355 180 113 GLU CA C 59.102 0.3 1 356 180 113 GLU CB C 28.492 0.3 1 357 180 113 GLU N N 119.141 0.3 1 358 181 114 ASN H H 7.697 0.020 1 359 181 114 ASN C C 177.435 0.3 1 360 181 114 ASN CA C 55.472 0.3 1 361 181 114 ASN CB C 36.704 0.3 1 362 181 114 ASN N N 119.782 0.3 1 363 182 115 ILE H H 7.537 0.020 1 364 182 115 ILE C C 177.486 0.3 1 365 182 115 ILE CA C 66.634 0.3 1 366 182 115 ILE N N 125.616 0.3 1 367 183 116 TYR H H 8.381 0.020 1 368 183 116 TYR C C 179.113 0.3 1 369 183 116 TYR CA C 56.766 0.3 1 370 183 116 TYR N N 118.302 0.3 1 371 184 117 LYS H H 8.541 0.020 1 372 184 117 LYS C C 179.374 0.3 1 373 184 117 LYS CA C 59.621 0.3 1 374 184 117 LYS N N 124.179 0.3 1 375 185 118 GLU H H 8.275 0.020 1 376 185 118 GLU C C 178.796 0.3 1 377 185 118 GLU CA C 58.403 0.3 1 378 185 118 GLU N N 124.093 0.3 1 379 186 119 LEU H H 8.205 0.020 1 380 186 119 LEU C C 177.856 0.3 1 381 186 119 LEU CA C 59.302 0.3 1 382 186 119 LEU N N 122.548 0.3 1 383 187 120 SER H H 7.834 0.020 1 384 187 120 SER HA H 4.365 0.020 1 385 187 120 SER HB2 H 4.179 0.020 2 386 187 120 SER HB3 H 4.075 0.020 2 387 187 120 SER C C 175.265 0.3 1 388 187 120 SER CA C 61.713 0.3 1 389 187 120 SER CB C 62.556 0.3 1 390 187 120 SER N N 111.863 0.3 1 391 188 121 THR H H 7.447 0.020 1 392 188 121 THR HA H 4.339 0.020 1 393 188 121 THR C C 174.755 0.3 1 394 188 121 THR CA C 62.432 0.3 1 395 188 121 THR CB C 68.896 0.3 1 396 188 121 THR N N 112.394 0.3 1 397 189 122 ASP H H 8.308 0.020 1 398 189 122 ASP HA H 4.394 0.020 1 399 189 122 ASP C C 175.750 0.3 1 400 189 122 ASP CA C 56.157 0.3 1 401 189 122 ASP N N 125.059 0.3 1 402 190 123 ILE H H 8.386 0.020 1 403 190 123 ILE C C 175.827 0.3 1 404 190 123 ILE CA C 57.248 0.3 1 405 190 123 ILE N N 119.394 0.3 1 406 191 124 GLU H H 8.572 0.020 1 407 191 124 GLU HA H 3.984 0.020 1 408 191 124 GLU HB2 H 1.976 0.020 2 409 191 124 GLU HB3 H 1.925 0.020 2 410 191 124 GLU C C 176.516 0.3 1 411 191 124 GLU CA C 59.012 0.3 1 412 191 124 GLU CB C 29.512 0.3 1 413 191 124 GLU N N 127.040 0.3 1 414 192 125 ASP H H 8.309 0.020 1 415 192 125 ASP C C 175.035 0.3 1 416 192 125 ASP CA C 53.315 0.3 1 417 192 125 ASP CB C 39.498 0.3 1 418 192 125 ASP N N 117.149 0.3 1 419 193 126 PHE H H 7.904 0.020 1 420 193 126 PHE HA H 4.416 0.020 1 421 193 126 PHE C C 174.257 0.3 1 422 193 126 PHE CA C 61.012 0.3 1 423 193 126 PHE CB C 39.890 0.3 1 424 193 126 PHE N N 120.713 0.3 1 425 194 127 VAL H H 6.191 0.020 1 426 194 127 VAL HA H 3.908 0.020 1 427 194 127 VAL C C 173.083 0.3 1 428 194 127 VAL CA C 59.734 0.3 1 429 194 127 VAL CB C 34.268 0.3 1 430 194 127 VAL N N 127.759 0.3 1 431 195 128 HIS H H 8.346 0.020 1 432 195 128 HIS C C 175.357 0.3 1 433 195 128 HIS CA C 54.457 0.3 1 434 195 128 HIS N N 128.788 0.3 1 435 197 130 GLY H H 11.030 0.020 1 436 197 130 GLY C C 172.841 0.3 1 437 197 130 GLY CA C 45.275 0.3 1 438 197 130 GLY N N 115.347 0.3 1 439 198 131 HIS H H 7.179 0.020 1 440 198 131 HIS HA H 4.694 0.020 1 441 198 131 HIS C C 173.198 0.3 1 442 198 131 HIS CA C 54.404 0.3 1 443 198 131 HIS CB C 32.445 0.3 1 444 198 131 HIS N N 115.314 0.3 1 445 199 132 GLY H H 10.056 0.020 1 446 199 132 GLY C C 171.552 0.3 1 447 199 132 GLY CA C 46.337 0.3 1 448 199 132 GLY N N 112.742 0.3 1 449 200 133 ASP H H 10.983 0.020 1 450 200 133 ASP C C 178.226 0.3 1 451 200 133 ASP CA C 53.366 0.3 1 452 200 133 ASP N N 127.718 0.3 1 453 201 134 LEU H H 9.693 0.020 1 454 201 134 LEU C C 179.094 0.3 1 455 201 134 LEU CA C 53.766 0.3 1 456 201 134 LEU N N 127.557 0.3 1 457 202 135 SER H H 9.273 0.020 1 458 202 135 SER C C 175.827 0.3 1 459 202 135 SER CA C 64.373 0.3 1 460 202 135 SER N N 121.864 0.3 1 461 203 136 GLY H H 9.725 0.020 1 462 203 136 GLY C C 178.073 0.3 1 463 203 136 GLY CA C 47.072 0.3 1 464 203 136 GLY N N 108.323 0.3 1 465 204 137 TRP H H 7.775 0.020 1 466 204 137 TRP C C 178.877 0.3 1 467 204 137 TRP CA C 57.070 0.3 1 468 204 137 TRP N N 121.647 0.3 1 469 205 138 ALA H H 7.833 0.020 1 470 205 138 ALA HA H 4.643 0.020 1 471 205 138 ALA HB H 1.676 0.020 1 472 205 138 ALA C C 181.378 0.3 1 473 205 138 ALA CA C 54.457 0.3 1 474 205 138 ALA CB C 19.305 0.3 1 475 205 138 ALA N N 127.120 0.3 1 476 206 139 LYS H H 8.527 0.020 1 477 206 139 LYS C C 177.677 0.3 1 478 206 139 LYS CA C 58.186 0.3 1 479 206 139 LYS CB C 32.833 0.3 1 480 206 139 LYS N N 116.809 0.3 1 481 207 140 GLN H H 7.286 0.020 1 482 207 140 GLN HA H 4.332 0.020 1 483 207 140 GLN C C 174.972 0.3 1 484 207 140 GLN CA C 56.004 0.3 1 485 207 140 GLN CB C 32.153 0.3 1 486 207 140 GLN N N 116.017 0.3 1 487 208 141 GLY H H 7.762 0.020 1 488 208 141 GLY C C 174.512 0.3 1 489 208 141 GLY CA C 45.826 0.3 1 490 208 141 GLY N N 104.036 0.3 1 491 209 142 VAL H H 7.543 0.020 1 492 209 142 VAL HA H 4.532 0.020 1 493 209 142 VAL C C 174.423 0.3 1 494 209 142 VAL CA C 61.012 0.3 1 495 209 142 VAL N N 122.652 0.3 1 496 210 143 LEU H H 9.721 0.020 1 497 210 143 LEU C C 173.874 0.3 1 498 210 143 LEU CA C 54.172 0.3 1 499 210 143 LEU N N 131.743 0.3 1 500 211 144 LEU H H 8.787 0.020 1 501 211 144 LEU C C 177.664 0.3 1 502 211 144 LEU CA C 54.051 0.3 1 503 211 144 LEU N N 134.443 0.3 1 504 212 145 LEU H H 7.674 0.020 1 505 212 145 LEU C C 175.737 0.3 1 506 212 145 LEU CA C 53.477 0.3 1 507 212 145 LEU N N 128.168 0.3 1 508 213 146 ASN H H 7.507 0.020 1 509 213 146 ASN C C 172.049 0.3 1 510 213 146 ASN CA C 52.810 0.3 1 511 213 146 ASN N N 127.784 0.3 1 512 214 147 ALA H H 7.749 0.020 1 513 214 147 ALA HA H 4.068 0.020 1 514 214 147 ALA HB H 1.780 0.020 1 515 214 147 ALA C C 176.860 0.3 1 516 214 147 ALA CA C 52.984 0.3 1 517 214 147 ALA CB C 21.827 0.3 1 518 214 147 ALA N N 121.382 0.3 1 519 215 148 VAL H H 7.697 0.020 1 520 215 148 VAL CA C 61.562 0.3 1 521 215 148 VAL N N 117.800 0.3 1 522 217 150 THR H H 6.665 0.020 1 523 217 150 THR C C 172.743 0.3 1 524 217 150 THR CA C 59.621 0.3 1 525 217 150 THR CB C 72.142 0.3 1 526 217 150 THR N N 106.965 0.3 1 527 218 151 VAL H H 8.669 0.020 1 528 218 151 VAL C C 171.666 0.3 1 529 218 151 VAL CA C 60.722 0.3 1 530 218 151 VAL N N 119.306 0.3 1 531 219 152 ARG H H 7.268 0.020 1 532 219 152 ARG HB2 H 1.545 0.020 2 533 219 152 ARG HB3 H 1.480 0.020 2 534 219 152 ARG C C 175.559 0.3 1 535 219 152 ARG CA C 56.385 0.3 1 536 219 152 ARG CB C 31.407 0.3 1 537 219 152 ARG N N 125.959 0.3 1 538 220 153 ALA H H 8.199 0.020 1 539 220 153 ALA HA H 4.172 0.020 1 540 220 153 ALA HB H 0.820 0.020 1 541 220 153 ALA C C 177.779 0.3 1 542 220 153 ALA CA C 52.984 0.3 1 543 220 153 ALA CB C 19.005 0.3 1 544 220 153 ALA N N 126.003 0.3 1 545 221 154 HIS H H 8.926 0.020 1 546 221 154 HIS C C 174.997 0.3 1 547 221 154 HIS CA C 57.708 0.3 1 548 221 154 HIS N N 112.701 0.3 1 549 222 155 GLN H H 7.725 0.020 1 550 222 155 GLN HA H 4.510 0.020 1 551 222 155 GLN C C 173.606 0.3 1 552 222 155 GLN CA C 53.137 0.3 1 553 222 155 GLN CB C 28.467 0.3 1 554 222 155 GLN N N 121.628 0.3 1 555 223 156 ALA H H 8.368 0.020 1 556 223 156 ALA HA H 3.908 0.020 1 557 223 156 ALA HB H 1.193 0.020 1 558 223 156 ALA C C 178.366 0.3 1 559 223 156 ALA CA C 53.448 0.3 1 560 223 156 ALA CB C 18.240 0.3 1 561 223 156 ALA N N 129.509 0.3 1 562 224 157 ASN H H 10.143 0.020 1 563 224 157 ASN C C 176.299 0.3 1 564 224 157 ASN CA C 54.201 0.3 1 565 224 157 ASN N N 118.507 0.3 1 566 225 158 SER H H 8.564 0.020 1 567 225 158 SER C C 177.083 0.3 1 568 225 158 SER CA C 57.447 0.3 1 569 225 158 SER N N 128.600 0.3 1 570 226 159 HIS H H 8.606 0.020 1 571 226 159 HIS C C 177.447 0.3 1 572 226 159 HIS CA C 57.095 0.3 1 573 226 159 HIS N N 118.859 0.3 1 574 227 160 LYS H H 7.225 0.020 1 575 227 160 LYS C C 174.735 0.3 1 576 227 160 LYS CA C 56.791 0.3 1 577 227 160 LYS CB C 32.695 0.3 1 578 227 160 LYS N N 118.847 0.3 1 579 228 161 GLU H H 11.188 0.020 1 580 228 161 GLU C C 176.312 0.3 1 581 228 161 GLU CA C 57.070 0.3 1 582 228 161 GLU N N 121.307 0.3 1 583 229 162 ARG H H 8.869 0.020 1 584 229 162 ARG C C 176.107 0.3 1 585 229 162 ARG CA C 53.390 0.3 1 586 229 162 ARG N N 117.026 0.3 1 587 230 163 GLY H H 7.936 0.020 1 588 230 163 GLY C C 174.742 0.3 1 589 230 163 GLY CA C 46.115 0.3 1 590 230 163 GLY N N 109.544 0.3 1 591 231 164 TRP H H 8.854 0.020 1 592 231 164 TRP C C 178.685 0.3 1 593 231 164 TRP CA C 60.089 0.3 1 594 231 164 TRP N N 122.617 0.3 1 595 232 165 GLU H H 11.055 0.020 1 596 232 165 GLU C C 178.239 0.3 1 597 232 165 GLU CA C 61.533 0.3 1 598 232 165 GLU N N 120.007 0.3 1 599 233 166 GLN H H 7.567 0.020 1 600 233 166 GLN C C 178.757 0.3 1 601 233 166 GLN CA C 59.273 0.3 1 602 233 166 GLN CB C 27.111 0.3 1 603 233 166 GLN N N 118.972 0.3 1 604 234 167 PHE H H 8.156 0.020 1 605 234 167 PHE C C 177.730 0.3 1 606 234 167 PHE CA C 62.026 0.3 1 607 234 167 PHE N N 123.951 0.3 1 608 235 168 THR H H 10.128 0.020 1 609 235 168 THR C C 178.775 0.3 1 610 235 168 THR CA C 66.634 0.3 1 611 235 168 THR CB C 69.434 0.3 1 612 235 168 THR N N 112.114 0.3 1 613 236 169 ASP H H 8.745 0.020 1 614 236 169 ASP HA H 4.430 0.020 1 615 236 169 ASP C C 178.494 0.3 1 616 236 169 ASP CA C 57.527 0.3 1 617 236 169 ASP CB C 39.292 0.3 1 618 236 169 ASP N N 124.834 0.3 1 619 237 170 ALA H H 7.748 0.020 1 620 237 170 ALA HA H 4.223 0.020 1 621 237 170 ALA HB H 1.577 0.020 1 622 237 170 ALA C C 180.791 0.3 1 623 237 170 ALA CA C 55.244 0.3 1 624 237 170 ALA CB C 16.183 0.3 1 625 237 170 ALA N N 126.173 0.3 1 626 238 171 VAL H H 7.620 0.020 1 627 238 171 VAL C C 176.937 0.3 1 628 238 171 VAL CA C 66.982 0.3 1 629 238 171 VAL N N 121.180 0.3 1 630 239 172 VAL H H 7.906 0.020 1 631 239 172 VAL C C 177.320 0.3 1 632 239 172 VAL CA C 67.677 0.3 1 633 239 172 VAL N N 119.894 0.3 1 634 240 173 SER H H 8.787 0.020 1 635 240 173 SER HA H 4.092 0.020 1 636 240 173 SER HB2 H 3.933 0.020 2 637 240 173 SER HB3 H 3.860 0.020 2 638 240 173 SER C C 176.490 0.3 1 639 240 173 SER CA C 61.157 0.3 1 640 240 173 SER CB C 62.235 0.3 1 641 240 173 SER N N 114.927 0.3 1 642 241 174 TRP H H 8.275 0.020 1 643 241 174 TRP C C 179.985 0.3 1 644 241 174 TRP CA C 63.330 0.3 1 645 241 174 TRP N N 123.223 0.3 1 646 242 175 LEU H H 8.224 0.020 1 647 242 175 LEU C C 178.085 0.3 1 648 242 175 LEU CA C 57.911 0.3 1 649 242 175 LEU N N 121.335 0.3 1 650 243 176 ASN H H 8.725 0.020 1 651 243 176 ASN HA H 4.198 0.020 1 652 243 176 ASN C C 177.920 0.3 1 653 243 176 ASN CA C 55.505 0.3 1 654 243 176 ASN CB C 40.129 0.3 1 655 243 176 ASN N N 116.001 0.3 1 656 244 177 GLN H H 7.849 0.020 1 657 244 177 GLN HA H 4.082 0.020 1 658 244 177 GLN HB2 H 1.871 0.020 2 659 244 177 GLN HB3 H 1.813 0.020 2 660 244 177 GLN C C 176.860 0.3 1 661 244 177 GLN CA C 57.311 0.3 1 662 244 177 GLN CB C 29.902 0.3 1 663 244 177 GLN N N 114.510 0.3 1 664 245 178 ASN H H 7.872 0.020 1 665 245 178 ASN HA H 4.365 0.020 1 666 245 178 ASN HB2 H 1.874 0.020 2 667 245 178 ASN HB3 H 1.823 0.020 2 668 245 178 ASN C C 174.002 0.3 1 669 245 178 ASN CA C 54.076 0.3 1 670 245 178 ASN CB C 38.800 0.3 1 671 245 178 ASN N N 114.543 0.3 1 672 246 179 SER H H 7.570 0.020 1 673 246 179 SER HA H 4.672 0.020 1 674 246 179 SER HB2 H 3.889 0.020 2 675 246 179 SER HB3 H 3.788 0.020 2 676 246 179 SER C C 171.779 0.3 1 677 246 179 SER CA C 57.476 0.3 1 678 246 179 SER CB C 63.796 0.3 1 679 246 179 SER N N 117.051 0.3 1 680 247 180 ASN H H 8.641 0.020 1 681 247 180 ASN HA H 4.503 0.020 1 682 247 180 ASN HB2 H 2.531 0.020 2 683 247 180 ASN HB3 H 2.430 0.020 2 684 247 180 ASN C C 173.747 0.3 1 685 247 180 ASN CA C 53.650 0.3 1 686 247 180 ASN CB C 42.402 0.3 1 687 247 180 ASN N N 118.387 0.3 1 688 248 181 GLY H H 8.094 0.020 1 689 248 181 GLY C C 175.547 0.3 1 690 248 181 GLY CA C 47.159 0.3 1 691 248 181 GLY N N 114.475 0.3 1 692 249 182 LEU H H 10.562 0.020 1 693 249 182 LEU C C 176.146 0.3 1 694 249 182 LEU CA C 55.015 0.3 1 695 249 182 LEU CB C 42.409 0.3 1 696 249 182 LEU N N 124.090 0.3 1 697 250 183 VAL H H 7.407 0.020 1 698 250 183 VAL C C 174.844 0.3 1 699 250 183 VAL CA C 61.272 0.3 1 700 250 183 VAL N N 118.774 0.3 1 701 251 184 PHE H H 9.372 0.020 1 702 251 184 PHE C C 173.236 0.3 1 703 251 184 PHE CA C 56.027 0.3 1 704 251 184 PHE N N 127.160 0.3 1 705 252 185 LEU H H 8.716 0.020 1 706 252 185 LEU C C 175.227 0.3 1 707 252 185 LEU CA C 53.163 0.3 1 708 252 185 LEU N N 124.540 0.3 1 709 253 186 LEU H H 8.720 0.020 1 710 253 186 LEU C C 174.219 0.3 1 711 253 186 LEU CA C 52.478 0.3 1 712 253 186 LEU N N 123.430 0.3 1 713 254 187 TRP H H 9.759 0.020 1 714 254 187 TRP C C 177.154 0.3 1 715 254 187 TRP CA C 52.578 0.3 1 716 254 187 TRP N N 130.571 0.3 1 717 255 188 GLY H H 9.224 0.020 1 718 255 188 GLY C C 173.061 0.3 1 719 255 188 GLY CA C 44.463 0.3 1 720 255 188 GLY N N 113.932 0.3 1 721 256 189 SER H H 8.665 0.020 1 722 256 189 SER C C 176.080 0.3 1 723 256 189 SER CA C 61.688 0.3 1 724 256 189 SER N N 116.423 0.3 1 725 257 190 TYR H H 8.482 0.020 1 726 257 190 TYR C C 178.685 0.3 1 727 257 190 TYR CA C 62.290 0.3 1 728 257 190 TYR N N 126.499 0.3 1 729 258 191 ALA H H 9.202 0.020 1 730 258 191 ALA HB H 1.466 0.020 1 731 258 191 ALA C C 179.145 0.3 1 732 258 191 ALA CA C 54.755 0.3 1 733 258 191 ALA CB C 18.705 0.3 1 734 258 191 ALA N N 124.875 0.3 1 735 259 192 GLN H H 7.861 0.020 1 736 259 192 GLN HA H 3.788 0.020 1 737 259 192 GLN C C 178.775 0.3 1 738 259 192 GLN CA C 58.693 0.3 1 739 259 192 GLN N N 115.989 0.3 1 740 260 193 LYS H H 7.982 0.020 1 741 260 193 LYS C C 179.846 0.3 1 742 260 193 LYS CA C 59.049 0.3 1 743 260 193 LYS CB C 31.158 0.3 1 744 260 193 LYS N N 122.198 0.3 1 745 261 194 LYS H H 7.850 0.020 1 746 261 194 LYS C C 177.868 0.3 1 747 261 194 LYS CA C 58.143 0.3 1 748 261 194 LYS N N 123.303 0.3 1 749 262 195 GLY H H 7.868 0.020 1 750 262 195 GLY C C 174.423 0.3 1 751 262 195 GLY CA C 44.203 0.3 1 752 262 195 GLY N N 105.066 0.3 1 753 263 196 SER H H 7.391 0.020 1 754 263 196 SER C C 174.270 0.3 1 755 263 196 SER CA C 61.533 0.3 1 756 263 196 SER CB C 62.855 0.3 1 757 263 196 SER N N 117.856 0.3 1 758 264 197 ALA H H 8.293 0.020 1 759 264 197 ALA HA H 4.375 0.020 1 760 264 197 ALA HB H 1.207 0.020 1 761 264 197 ALA C C 176.854 0.3 1 762 264 197 ALA CA C 51.100 0.3 1 763 264 197 ALA CB C 18.479 0.3 1 764 264 197 ALA N N 123.914 0.3 1 765 265 198 ILE H H 6.738 0.020 1 766 265 198 ILE HA H 4.361 0.020 1 767 265 198 ILE HB H 1.103 0.020 1 768 265 198 ILE C C 176.031 0.3 1 769 265 198 ILE CA C 61.128 0.3 1 770 265 198 ILE N N 121.115 0.3 1 771 266 199 ASP H H 9.043 0.020 1 772 266 199 ASP C C 176.388 0.3 1 773 266 199 ASP CA C 54.143 0.3 1 774 266 199 ASP N N 129.536 0.3 1 775 267 200 ARG H H 7.802 0.020 1 776 267 200 ARG HA H 4.092 0.020 1 777 267 200 ARG C C 177.307 0.3 1 778 267 200 ARG CA C 59.997 0.3 1 779 267 200 ARG N N 113.089 0.3 1 780 268 201 LYS H H 9.780 0.020 1 781 268 201 LYS C C 173.887 0.3 1 782 268 201 LYS CA C 53.303 0.3 1 783 268 201 LYS N N 123.128 0.3 1 784 269 202 ARG H H 7.231 0.020 1 785 269 202 ARG C C 174.870 0.3 1 786 269 202 ARG CA C 56.494 0.3 1 787 269 202 ARG CB C 33.132 0.3 1 788 269 202 ARG N N 118.987 0.3 1 789 270 203 HIS H H 7.752 0.020 1 790 270 203 HIS HA H 4.684 0.020 1 791 270 203 HIS C C 173.057 0.3 1 792 270 203 HIS CA C 53.975 0.3 1 793 270 203 HIS CB C 34.627 0.3 1 794 270 203 HIS N N 119.432 0.3 1 795 271 204 HIS H H 9.063 0.020 1 796 271 204 HIS HA H 4.872 0.020 1 797 271 204 HIS C C 174.691 0.3 1 798 271 204 HIS CA C 54.288 0.3 1 799 271 204 HIS CB C 32.534 0.3 1 800 271 204 HIS N N 119.663 0.3 1 801 272 205 VAL H H 8.830 0.020 1 802 272 205 VAL HA H 4.756 0.020 1 803 272 205 VAL C C 174.729 0.3 1 804 272 205 VAL CA C 61.537 0.3 1 805 272 205 VAL CB C 33.192 0.3 1 806 272 205 VAL N N 124.204 0.3 1 807 273 206 LEU H H 9.043 0.020 1 808 273 206 LEU HB2 H 1.889 0.020 2 809 273 206 LEU HB3 H 1.852 0.020 2 810 273 206 LEU C C 174.882 0.3 1 811 273 206 LEU CA C 53.506 0.3 1 812 273 206 LEU N N 131.777 0.3 1 813 274 207 GLN H H 8.700 0.020 1 814 274 207 GLN HA H 5.811 0.020 1 815 274 207 GLN C C 175.444 0.3 1 816 274 207 GLN CA C 53.645 0.3 1 817 274 207 GLN CB C 32.354 0.3 1 818 274 207 GLN N N 119.869 0.3 1 819 275 208 THR H H 8.425 0.020 1 820 275 208 THR C C 172.356 0.3 1 821 275 208 THR CA C 60.461 0.3 1 822 275 208 THR N N 116.448 0.3 1 823 276 209 ALA H H 7.803 0.020 1 824 276 209 ALA HB H 1.215 0.020 1 825 276 209 ALA C C 173.504 0.3 1 826 276 209 ALA CA C 51.158 0.3 1 827 276 209 ALA CB C 20.214 0.3 1 828 276 209 ALA N N 125.471 0.3 1 829 277 210 HIS H H 8.195 0.020 1 830 277 210 HIS C C 180.838 0.3 1 831 277 210 HIS CA C 56.143 0.3 1 832 277 210 HIS N N 118.504 0.3 1 833 279 212 SER H H 10.247 0.020 1 834 279 212 SER HA H 4.513 0.020 1 835 279 212 SER C C 173.416 0.3 1 836 279 212 SER CA C 56.994 0.3 1 837 279 212 SER CB C 62.775 0.3 1 838 279 212 SER N N 122.448 0.3 1 839 281 214 LEU H H 7.818 0.020 1 840 281 214 LEU HB2 H 1.627 0.020 2 841 281 214 LEU HB3 H 1.535 0.020 2 842 281 214 LEU C C 177.549 0.3 1 843 281 214 LEU CA C 56.838 0.3 1 844 281 214 LEU CB C 41.624 0.3 1 845 281 214 LEU N N 115.190 0.3 1 846 282 215 SER H H 7.993 0.020 1 847 282 215 SER HB2 H 3.532 0.020 2 848 282 215 SER HB3 H 3.461 0.020 2 849 282 215 SER C C 175.916 0.3 1 850 282 215 SER CA C 58.085 0.3 1 851 282 215 SER CB C 65.357 0.3 1 852 282 215 SER N N 111.198 0.3 1 853 283 216 VAL H H 7.942 0.020 1 854 283 216 VAL C C 175.078 0.3 1 855 283 216 VAL CA C 64.460 0.3 1 856 283 216 VAL N N 126.430 0.3 1 857 284 217 TYR H H 7.676 0.020 1 858 284 217 TYR HA H 4.670 0.020 1 859 284 217 TYR C C 175.929 0.3 1 860 284 217 TYR CA C 59.418 0.3 1 861 284 217 TYR CB C 36.302 0.3 1 862 284 217 TYR N N 118.055 0.3 1 863 285 218 ARG H H 8.135 0.020 1 864 285 218 ARG C C 176.131 0.3 1 865 285 218 ARG CA C 54.694 0.3 1 866 285 218 ARG N N 121.537 0.3 1 867 286 219 GLY H H 7.435 0.020 1 868 286 219 GLY C C 173.555 0.3 1 869 286 219 GLY CA C 45.565 0.3 1 870 286 219 GLY N N 107.069 0.3 1 871 287 220 PHE H H 6.989 0.020 1 872 287 220 PHE C C 177.371 0.3 1 873 287 220 PHE CA C 61.662 0.3 1 874 287 220 PHE N N 122.468 0.3 1 875 288 221 PHE H H 7.182 0.020 1 876 288 221 PHE C C 178.188 0.3 1 877 288 221 PHE CA C 55.128 0.3 1 878 288 221 PHE CB C 36.207 0.3 1 879 288 221 PHE N N 117.895 0.3 1 880 289 222 GLY H H 11.113 0.020 1 881 289 222 GLY C C 175.291 0.3 1 882 289 222 GLY CA C 44.550 0.3 1 883 289 222 GLY N N 118.490 0.3 1 884 290 223 CYS H H 7.824 0.020 1 885 290 223 CYS C C 174.900 0.3 1 886 290 223 CYS CA C 59.566 0.3 1 887 290 223 CYS N N 120.669 0.3 1 888 291 224 ARG H H 9.066 0.020 1 889 291 224 ARG C C 176.350 0.3 1 890 291 224 ARG CA C 58.172 0.3 1 891 291 224 ARG N N 119.807 0.3 1 892 292 225 HIS H H 7.095 0.020 1 893 292 225 HIS HA H 3.916 0.020 1 894 292 225 HIS C C 176.694 0.3 1 895 292 225 HIS CA C 57.998 0.3 1 896 292 225 HIS CB C 32.154 0.3 1 897 292 225 HIS N N 113.312 0.3 1 898 293 226 PHE H H 7.415 0.020 1 899 293 226 PHE C C 178.290 0.3 1 900 293 226 PHE CA C 61.330 0.3 1 901 293 226 PHE CB C 35.883 0.3 1 902 293 226 PHE N N 124.346 0.3 1 903 294 227 SER H H 10.202 0.020 1 904 294 227 SER C C 179.885 0.3 1 905 294 227 SER CA C 61.215 0.3 1 906 294 227 SER N N 123.168 0.3 1 907 295 228 LYS H H 8.084 0.020 1 908 295 228 LYS HA H 4.039 0.020 1 909 295 228 LYS C C 179.004 0.3 1 910 295 228 LYS CA C 59.418 0.3 1 911 295 228 LYS CB C 32.594 0.3 1 912 295 228 LYS N N 127.153 0.3 1 913 296 229 THR H H 7.994 0.020 1 914 296 229 THR C C 175.074 0.3 1 915 296 229 THR CA C 68.257 0.3 1 916 296 229 THR N N 117.893 0.3 1 917 297 230 ASN H H 7.169 0.020 1 918 297 230 ASN HA H 4.742 0.020 1 919 297 230 ASN C C 177.830 0.3 1 920 297 230 ASN CA C 55.244 0.3 1 921 297 230 ASN CB C 37.078 0.3 1 922 297 230 ASN N N 120.827 0.3 1 923 298 231 GLU H H 8.133 0.020 1 924 298 231 GLU HA H 4.042 0.020 1 925 298 231 GLU HB2 H 2.176 0.020 2 926 298 231 GLU HB3 H 2.096 0.020 2 927 298 231 GLU C C 178.940 0.3 1 928 298 231 GLU CA C 59.447 0.3 1 929 298 231 GLU CB C 29.244 0.3 1 930 298 231 GLU N N 124.338 0.3 1 931 299 232 LEU H H 7.970 0.020 1 932 299 232 LEU C C 180.344 0.3 1 933 299 232 LEU CA C 57.592 0.3 1 934 299 232 LEU N N 121.362 0.3 1 935 300 233 LEU H H 8.684 0.020 1 936 300 233 LEU C C 179.374 0.3 1 937 300 233 LEU CA C 57.969 0.3 1 938 300 233 LEU N N 121.718 0.3 1 939 301 234 GLN H H 8.144 0.020 1 940 301 234 GLN HA H 4.237 0.020 1 941 301 234 GLN HB2 H 2.157 0.020 2 942 301 234 GLN HB3 H 2.099 0.020 2 943 301 234 GLN C C 180.408 0.3 1 944 301 234 GLN CA C 59.389 0.3 1 945 301 234 GLN CB C 28.527 0.3 1 946 301 234 GLN N N 119.598 0.3 1 947 302 235 LYS H H 8.096 0.020 1 948 302 235 LYS HA H 4.085 0.020 1 949 302 235 LYS HB2 H 1.966 0.020 2 950 302 235 LYS HB3 H 1.908 0.020 2 951 302 235 LYS C C 177.805 0.3 1 952 302 235 LYS CA C 58.983 0.3 1 953 302 235 LYS CB C 32.154 0.3 1 954 302 235 LYS N N 121.976 0.3 1 955 303 236 SER H H 7.555 0.020 1 956 303 236 SER HA H 4.658 0.020 1 957 303 236 SER C C 174.091 0.3 1 958 303 236 SER CA C 58.085 0.3 1 959 303 236 SER CB C 63.692 0.3 1 960 303 236 SER N N 113.740 0.3 1 961 304 237 GLY H H 7.908 0.020 1 962 304 237 GLY HA2 H 3.824 0.020 2 963 304 237 GLY HA3 H 3.766 0.020 2 964 304 237 GLY C C 174.206 0.3 1 965 304 237 GLY CA C 45.797 0.3 1 966 304 237 GLY N N 110.484 0.3 1 967 305 238 LYS H H 7.999 0.020 1 968 305 238 LYS HA H 4.474 0.020 1 969 305 238 LYS C C 175.125 0.3 1 970 305 238 LYS CA C 54.230 0.3 1 971 305 238 LYS CB C 32.594 0.3 1 972 305 238 LYS N N 120.770 0.3 1 973 306 239 LYS H H 8.236 0.020 1 974 306 239 LYS C C 174.367 0.3 1 975 306 239 LYS CA C 53.949 0.3 1 976 306 239 LYS CB C 32.515 0.3 1 977 306 239 LYS N N 123.741 0.3 1 978 309 242 ASP H H 9.248 0.020 1 979 309 242 ASP HA H 4.853 0.020 1 980 309 242 ASP C C 177.489 0.3 1 981 309 242 ASP CA C 51.742 0.3 1 982 309 242 ASP N N 127.800 0.3 1 983 310 243 TRP H H 7.842 0.020 1 984 310 243 TRP C C 176.911 0.3 1 985 310 243 TRP CA C 58.288 0.3 1 986 310 243 TRP CB C 30.740 0.3 1 987 310 243 TRP N N 127.689 0.3 1 988 311 244 LYS H H 8.229 0.020 1 989 311 244 LYS C C 176.120 0.3 1 990 311 244 LYS CA C 56.537 0.3 1 991 311 244 LYS CB C 31.996 0.3 1 992 311 244 LYS N N 113.388 0.3 1 993 312 245 GLU H H 7.499 0.020 1 994 312 245 GLU HA H 4.256 0.020 1 995 312 245 GLU HB2 H 1.678 0.020 2 996 312 245 GLU HB3 H 1.606 0.020 2 997 312 245 GLU C C 171.692 0.3 1 998 312 245 GLU CA C 56.004 0.3 1 999 312 245 GLU CB C 27.689 0.3 1 1000 312 245 GLU N N 125.612 0.3 1 1001 313 246 LEU H H 7.209 0.020 1 1002 313 246 LEU CA C 55.042 0.3 1 1003 313 246 LEU N N 131.631 0.3 1 stop_ save_