data_16085 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Chemical Shift Assignment for Saccharomyces cerevisiae Acyl Carrier Protein. ; _BMRB_accession_number 16085 _BMRB_flat_file_name bmr16085.str _Entry_type original _Submission_date 2008-12-23 _Accession_date 2008-12-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '1H, 13C, 15N Resonances Assignment of Acyl Carrier Protein of Saccharomyces cerevisiae Fatty acid Synthase' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 965 "13C chemical shifts" 725 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-04-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, 13C resonance assignment of the acyl carrier protein subunit of the Saccharomyces cerevisiae fatty acid synthase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636964 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perez Daniel R. . 2 Wider Gerhard . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 133 _Page_last 136 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ACP single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ACP single polypeptide chain' $Acyl_Carrier_Protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Acyl_Carrier_Protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Acyl_Carrier_Protein _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Acyl Carrier Protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; MGSSHHHHHHENLYFQSNAE IADEPVKASLLLHVLVAHKL KKSLDSIPMSKTIKDLVGGK STVQNEILGDLGKEFGTTPE KPEETPLEELAETFQDTFSG ALGKQSSSLLSRLISSKMPG GFTITVARKYLQTRWGLPSG RQDGVLLVALSNEPAARLGS EADAKAFLDSMAQKYASIVG VDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 120 MET 2 121 GLY 3 122 SER 4 123 SER 5 124 HIS 6 125 HIS 7 126 HIS 8 127 HIS 9 128 HIS 10 129 HIS 11 130 GLU 12 131 ASN 13 132 LEU 14 133 TYR 15 134 PHE 16 135 GLN 17 136 SER 18 137 ASN 19 138 ALA 20 139 GLU 21 140 ILE 22 141 ALA 23 142 ASP 24 143 GLU 25 144 PRO 26 145 VAL 27 146 LYS 28 147 ALA 29 148 SER 30 149 LEU 31 150 LEU 32 151 LEU 33 152 HIS 34 153 VAL 35 154 LEU 36 155 VAL 37 156 ALA 38 157 HIS 39 158 LYS 40 159 LEU 41 160 LYS 42 161 LYS 43 162 SER 44 163 LEU 45 164 ASP 46 165 SER 47 166 ILE 48 167 PRO 49 168 MET 50 169 SER 51 170 LYS 52 171 THR 53 172 ILE 54 173 LYS 55 174 ASP 56 175 LEU 57 176 VAL 58 177 GLY 59 178 GLY 60 179 LYS 61 180 SER 62 181 THR 63 182 VAL 64 183 GLN 65 184 ASN 66 185 GLU 67 186 ILE 68 187 LEU 69 188 GLY 70 189 ASP 71 190 LEU 72 191 GLY 73 192 LYS 74 193 GLU 75 194 PHE 76 195 GLY 77 196 THR 78 197 THR 79 198 PRO 80 199 GLU 81 200 LYS 82 201 PRO 83 202 GLU 84 203 GLU 85 204 THR 86 205 PRO 87 206 LEU 88 207 GLU 89 208 GLU 90 209 LEU 91 210 ALA 92 211 GLU 93 212 THR 94 213 PHE 95 214 GLN 96 215 ASP 97 216 THR 98 217 PHE 99 218 SER 100 219 GLY 101 220 ALA 102 221 LEU 103 222 GLY 104 223 LYS 105 224 GLN 106 225 SER 107 226 SER 108 227 SER 109 228 LEU 110 229 LEU 111 230 SER 112 231 ARG 113 232 LEU 114 233 ILE 115 234 SER 116 235 SER 117 236 LYS 118 237 MET 119 238 PRO 120 239 GLY 121 240 GLY 122 241 PHE 123 242 THR 124 243 ILE 125 244 THR 126 245 VAL 127 246 ALA 128 247 ARG 129 248 LYS 130 249 TYR 131 250 LEU 132 251 GLN 133 252 THR 134 253 ARG 135 254 TRP 136 255 GLY 137 256 LEU 138 257 PRO 139 258 SER 140 259 GLY 141 260 ARG 142 261 GLN 143 262 ASP 144 263 GLY 145 264 VAL 146 265 LEU 147 266 LEU 148 267 VAL 149 268 ALA 150 269 LEU 151 270 SER 152 271 ASN 153 272 GLU 154 273 PRO 155 274 ALA 156 275 ALA 157 276 ARG 158 277 LEU 159 278 GLY 160 279 SER 161 280 GLU 162 281 ALA 163 282 ASP 164 283 ALA 165 284 LYS 166 285 ALA 167 286 PHE 168 287 LEU 169 288 ASP 170 289 SER 171 290 MET 172 291 ALA 173 292 GLN 174 293 LYS 175 294 TYR 176 295 ALA 177 296 SER 178 297 ILE 179 298 VAL 180 299 GLY 181 300 VAL 182 301 ASP 183 302 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ML8 "Nmr Structure Of Saccharomyces Cerevisiae Acyl Carrier Protein" 100.00 183 100.00 100.00 2.14e-128 PDB 2UV8 "Crystal Structure Of Yeast Fatty Acid Synthase With Stalled Acyl Carrier Protein At 3.1 Angstrom Resolution" 90.16 1887 99.39 99.39 2.09e-100 PDB 2VKZ "Structure Of The Cerulenin-Inhibited Fungal Fatty Acid Synthase Type I Multienzyme Complex" 90.16 1887 100.00 100.00 5.36e-101 PDB 3HMJ "Saccharomyces Cerevisiae Fas Type I" 90.16 1887 100.00 100.00 5.36e-101 DBJ GAA26747 "K7_Fas2p [Saccharomyces cerevisiae Kyokai no. 7]" 90.16 1887 100.00 100.00 5.46e-101 EMBL CAA54218 "fatty-acid synthase [Saccharomyces cerevisiae]" 90.16 1887 100.00 100.00 5.36e-101 EMBL CAA64256 "fatty acid synthase alpha chain [Saccharomyces cerevisiae]" 90.16 1887 100.00 100.00 5.36e-101 EMBL CAA97948 "FAS2 [Saccharomyces cerevisiae]" 90.16 1887 100.00 100.00 5.36e-101 EMBL CAY86729 "Fas2p [Saccharomyces cerevisiae EC1118]" 90.16 1887 100.00 100.00 5.57e-101 GB AAA34601 "alpha-subunit of fatty acid synthase [Saccharomyces cerevisiae]" 90.16 1894 100.00 100.00 8.21e-101 GB AHY77952 "Fas2p [Saccharomyces cerevisiae YJM993]" 90.16 1887 100.00 100.00 5.57e-101 GB AJP41920 "Fas2p [Saccharomyces cerevisiae YJM1078]" 90.16 1887 100.00 100.00 5.57e-101 GB AJU23364 "Fas2p [Saccharomyces cerevisiae YJM1526]" 90.16 1887 100.00 100.00 7.55e-101 GB AJU24052 "Fas2p [Saccharomyces cerevisiae YJM1549]" 90.16 1887 100.00 100.00 4.72e-101 REF NP_015093 "trifunctional fatty acid synthase subunit FAS2 [Saccharomyces cerevisiae S288c]" 90.16 1887 100.00 100.00 5.36e-101 SP P19097 "RecName: Full=Fatty acid synthase subunit alpha; Includes: RecName: Full=Acyl carrier; Includes: RecName: Full=3-oxoacyl-[acyl-" 90.16 1887 100.00 100.00 5.36e-101 TPG DAA11205 "TPA: trifunctional fatty acid synthase subunit FAS2 [Saccharomyces cerevisiae S288c]" 90.16 1887 100.00 100.00 5.36e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Acyl_Carrier_Protein 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Acyl_Carrier_Protein '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 $Acyl_Carrier_Protein 1 mM '[U-13C; U-15N]' 'KH2PO4 : K2HPO4 (0.685 : 0.315) buffer' 52 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.052 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ACP single polypeptide chain' _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 1 138 19 ALA H H 8.160 0.020 1 2 138 19 ALA HA H 4.243 0.020 1 3 138 19 ALA HB H 1.301 0.020 1 4 138 19 ALA C C 176.238 0.3 1 5 138 19 ALA CA C 51.975 0.3 1 6 138 19 ALA CB C 19.166 0.3 1 7 138 19 ALA N N 125.180 0.3 1 8 139 20 GLU H H 8.186 0.020 1 9 139 20 GLU HA H 4.372 0.020 1 10 139 20 GLU HB2 H 1.941 0.020 2 11 139 20 GLU HB3 H 1.841 0.020 2 12 139 20 GLU HG2 H 2.160 0.020 2 13 139 20 GLU HG3 H 2.100 0.020 2 14 139 20 GLU C C 175.787 0.3 1 15 139 20 GLU CA C 55.867 0.3 1 16 139 20 GLU CB C 30.680 0.3 1 17 139 20 GLU CG C 36.229 0.3 1 18 139 20 GLU N N 121.393 0.3 1 19 140 21 ILE H H 8.447 0.020 1 20 140 21 ILE HA H 4.177 0.020 1 21 140 21 ILE HB H 1.921 0.020 1 22 140 21 ILE HD1 H 0.865 0.020 1 23 140 21 ILE HG12 H 1.500 0.020 2 24 140 21 ILE HG13 H 1.255 0.020 2 25 140 21 ILE HG2 H 0.937 0.020 1 26 140 21 ILE C C 174.406 0.3 1 27 140 21 ILE CA C 60.272 0.3 1 28 140 21 ILE CB C 38.691 0.3 1 29 140 21 ILE CD1 C 13.089 0.3 1 30 140 21 ILE CG1 C 26.816 0.3 1 31 140 21 ILE CG2 C 17.081 0.3 1 32 140 21 ILE N N 124.427 0.3 1 33 141 22 ALA H H 8.356 0.020 1 34 141 22 ALA HA H 4.230 0.020 1 35 141 22 ALA HB H 1.402 0.020 1 36 141 22 ALA C C 177.329 0.3 1 37 141 22 ALA CA C 52.011 0.3 1 38 141 22 ALA CB C 18.713 0.3 1 39 141 22 ALA N N 128.657 0.3 1 40 142 23 ASP H H 8.888 0.020 1 41 142 23 ASP HA H 4.618 0.020 1 42 142 23 ASP HB2 H 2.607 0.020 2 43 142 23 ASP HB3 H 2.512 0.020 2 44 142 23 ASP C C 175.409 0.3 1 45 142 23 ASP CA C 53.505 0.3 1 46 142 23 ASP CB C 42.005 0.3 1 47 142 23 ASP N N 122.668 0.3 1 48 143 24 GLU H H 8.075 0.020 1 49 143 24 GLU HA H 4.547 0.020 1 50 143 24 GLU HB2 H 1.888 0.020 2 51 143 24 GLU HB3 H 1.832 0.020 2 52 143 24 GLU HG2 H 2.183 0.020 2 53 143 24 GLU HG3 H 2.135 0.020 2 54 143 24 GLU C C 171.418 0.3 1 55 143 24 GLU CA C 54.089 0.3 1 56 143 24 GLU CB C 32.976 0.3 1 57 143 24 GLU CG C 35.951 0.3 1 58 143 24 GLU N N 123.670 0.3 1 59 144 25 PRO HA H 4.463 0.020 1 60 144 25 PRO HB2 H 2.326 0.020 2 61 144 25 PRO HB3 H 1.856 0.020 2 62 144 25 PRO HD2 H 3.574 0.020 2 63 144 25 PRO HD3 H 3.616 0.020 2 64 144 25 PRO HG2 H 1.937 0.020 2 65 144 25 PRO HG3 H 1.897 0.020 2 66 144 25 PRO CA C 61.690 0.3 1 67 144 25 PRO CB C 32.148 0.3 1 68 144 25 PRO CD C 50.517 0.3 1 69 144 25 PRO CG C 26.804 0.3 1 70 145 26 VAL H H 8.322 0.020 1 71 145 26 VAL HA H 3.830 0.020 1 72 145 26 VAL HB H 2.106 0.020 1 73 145 26 VAL HG1 H 1.094 0.020 2 74 145 26 VAL HG2 H 1.028 0.020 2 75 145 26 VAL C C 174.450 0.3 1 76 145 26 VAL CA C 62.966 0.3 1 77 145 26 VAL CB C 32.496 0.3 1 78 145 26 VAL CG1 C 22.030 0.3 1 79 145 26 VAL CG2 C 22.229 0.3 1 80 145 26 VAL N N 122.655 0.3 1 81 146 27 LYS H H 8.579 0.020 1 82 146 27 LYS HA H 4.705 0.020 1 83 146 27 LYS HB2 H 2.176 0.020 2 84 146 27 LYS HB3 H 1.848 0.020 2 85 146 27 LYS HD2 H 1.732 0.020 1 86 146 27 LYS HD3 H 1.732 0.020 1 87 146 27 LYS HE2 H 2.967 0.020 1 88 146 27 LYS HE3 H 2.967 0.020 1 89 146 27 LYS HG2 H 1.670 0.020 2 90 146 27 LYS HG3 H 1.554 0.020 2 91 146 27 LYS C C 177.116 0.3 1 92 146 27 LYS CA C 54.618 0.3 1 93 146 27 LYS CB C 33.116 0.3 1 94 146 27 LYS CD C 28.327 0.3 1 95 146 27 LYS CE C 42.055 0.3 1 96 146 27 LYS CG C 25.274 0.3 1 97 146 27 LYS N N 125.147 0.3 1 98 147 28 ALA H H 9.153 0.020 1 99 147 28 ALA HA H 3.508 0.020 1 100 147 28 ALA HB H 1.093 0.020 1 101 147 28 ALA C C 177.997 0.3 1 102 147 28 ALA CA C 55.077 0.3 1 103 147 28 ALA CB C 17.460 0.3 1 104 147 28 ALA N N 125.017 0.3 1 105 148 29 SER H H 8.900 0.020 1 106 148 29 SER HA H 3.756 0.020 1 107 148 29 SER HB2 H 3.683 0.020 1 108 148 29 SER HB3 H 3.683 0.020 1 109 148 29 SER C C 174.595 0.3 1 110 148 29 SER CA C 61.195 0.3 1 111 148 29 SER CB C 61.159 0.3 1 112 148 29 SER N N 111.027 0.3 1 113 149 30 LEU H H 6.636 0.020 1 114 149 30 LEU HA H 4.358 0.020 1 115 149 30 LEU HB2 H 1.925 0.020 2 116 149 30 LEU HB3 H 1.672 0.020 2 117 149 30 LEU HD1 H 1.110 0.020 2 118 149 30 LEU HD2 H 0.951 0.020 2 119 149 30 LEU HG H 1.531 0.020 1 120 149 30 LEU C C 176.638 0.3 1 121 149 30 LEU CA C 57.419 0.3 1 122 149 30 LEU CB C 41.469 0.3 1 123 149 30 LEU CD1 C 25.758 0.3 1 124 149 30 LEU CD2 C 22.760 0.3 1 125 149 30 LEU CG C 27.315 0.3 1 126 149 30 LEU N N 123.942 0.3 1 127 150 31 LEU H H 7.275 0.020 1 128 150 31 LEU HA H 3.865 0.020 1 129 150 31 LEU HB2 H 1.255 0.020 2 130 150 31 LEU HB3 H 1.684 0.020 2 131 150 31 LEU HD1 H 0.823 0.020 2 132 150 31 LEU HD2 H 0.707 0.020 2 133 150 31 LEU HG H 1.249 0.020 1 134 150 31 LEU C C 176.690 0.3 1 135 150 31 LEU CA C 58.287 0.3 1 136 150 31 LEU CB C 43.222 0.3 1 137 150 31 LEU CD1 C 23.456 0.3 1 138 150 31 LEU CD2 C 26.996 0.3 1 139 150 31 LEU CG C 27.247 0.3 1 140 150 31 LEU N N 120.008 0.3 1 141 151 32 LEU H H 9.030 0.020 1 142 151 32 LEU HA H 3.943 0.020 1 143 151 32 LEU HB2 H 1.926 0.020 2 144 151 32 LEU HB3 H 1.500 0.020 2 145 151 32 LEU HD1 H 0.980 0.020 2 146 151 32 LEU HD2 H 0.908 0.020 2 147 151 32 LEU HG H 1.541 0.020 1 148 151 32 LEU C C 176.107 0.3 1 149 151 32 LEU CA C 58.357 0.3 1 150 151 32 LEU CB C 42.516 0.3 1 151 151 32 LEU CD1 C 25.943 0.3 1 152 151 32 LEU CD2 C 28.032 0.3 1 153 151 32 LEU CG C 27.083 0.3 1 154 151 32 LEU N N 118.882 0.3 1 155 152 33 HIS H H 7.878 0.020 1 156 152 33 HIS HA H 4.049 0.020 1 157 152 33 HIS HB2 H 3.743 0.020 2 158 152 33 HIS HB3 H 3.430 0.020 2 159 152 33 HIS HD2 H 6.656 0.020 1 160 152 33 HIS HE1 H 7.980 0.020 1 161 152 33 HIS C C 176.965 0.3 1 162 152 33 HIS CA C 57.314 0.3 1 163 152 33 HIS CB C 32.471 0.3 1 164 152 33 HIS CD2 C 114.126 0.3 1 165 152 33 HIS CE1 C 137.770 0.3 1 166 152 33 HIS N N 119.499 0.3 1 167 153 34 VAL H H 8.454 0.020 1 168 153 34 VAL HA H 3.472 0.020 1 169 153 34 VAL HB H 2.204 0.020 1 170 153 34 VAL HG1 H 1.016 0.020 2 171 153 34 VAL HG2 H 0.872 0.020 2 172 153 34 VAL C C 176.805 0.3 1 173 153 34 VAL CA C 66.506 0.3 1 174 153 34 VAL CB C 31.435 0.3 1 175 153 34 VAL CG1 C 23.313 0.3 1 176 153 34 VAL CG2 C 21.218 0.3 1 177 153 34 VAL N N 116.897 0.3 1 178 154 35 LEU H H 8.479 0.020 1 179 154 35 LEU HA H 3.941 0.020 1 180 154 35 LEU HB2 H 1.910 0.020 2 181 154 35 LEU HB3 H 1.307 0.020 2 182 154 35 LEU HD1 H 0.538 0.020 2 183 154 35 LEU HD2 H 0.522 0.020 2 184 154 35 LEU HG H 1.850 0.020 1 185 154 35 LEU C C 179.829 0.3 1 186 154 35 LEU CA C 58.373 0.3 1 187 154 35 LEU CB C 41.139 0.3 1 188 154 35 LEU CD1 C 25.452 0.3 1 189 154 35 LEU CD2 C 21.937 0.3 1 190 154 35 LEU CG C 26.421 0.3 1 191 154 35 LEU N N 120.596 0.3 1 192 155 36 VAL H H 8.118 0.020 1 193 155 36 VAL HA H 3.492 0.020 1 194 155 36 VAL HB H 2.112 0.020 1 195 155 36 VAL HG1 H 1.033 0.020 2 196 155 36 VAL HG2 H 0.844 0.020 2 197 155 36 VAL C C 175.831 0.3 1 198 155 36 VAL CA C 66.974 0.3 1 199 155 36 VAL CB C 31.498 0.3 1 200 155 36 VAL CG1 C 22.694 0.3 1 201 155 36 VAL CG2 C 21.691 0.3 1 202 155 36 VAL N N 119.628 0.3 1 203 156 37 ALA H H 8.438 0.020 1 204 156 37 ALA HA H 3.683 0.020 1 205 156 37 ALA HB H 1.397 0.020 1 206 156 37 ALA C C 178.710 0.3 1 207 156 37 ALA CA C 56.082 0.3 1 208 156 37 ALA CB C 17.881 0.3 1 209 156 37 ALA N N 123.064 0.3 1 210 157 38 HIS H H 9.053 0.020 1 211 157 38 HIS HA H 4.231 0.020 1 212 157 38 HIS HB2 H 2.959 0.020 1 213 157 38 HIS HB3 H 2.959 0.020 1 214 157 38 HIS HD2 H 7.249 0.020 1 215 157 38 HIS HE1 H 7.741 0.020 1 216 157 38 HIS C C 178.311 0.3 1 217 157 38 HIS CA C 60.401 0.3 1 218 157 38 HIS CB C 29.885 0.3 1 219 157 38 HIS CD2 C 120.086 0.3 1 220 157 38 HIS CE1 C 137.634 0.3 1 221 157 38 HIS N N 117.173 0.3 1 222 158 39 LYS H H 7.467 0.020 1 223 158 39 LYS HA H 4.042 0.020 1 224 158 39 LYS HB2 H 2.107 0.020 2 225 158 39 LYS HB3 H 1.882 0.020 2 226 158 39 LYS HD2 H 1.547 0.020 2 227 158 39 LYS HD3 H 1.521 0.020 2 228 158 39 LYS HE2 H 2.833 0.020 1 229 158 39 LYS HE3 H 2.833 0.020 1 230 158 39 LYS HG2 H 1.506 0.020 2 231 158 39 LYS HG3 H 1.354 0.020 2 232 158 39 LYS C C 177.518 0.3 1 233 158 39 LYS CA C 57.093 0.3 1 234 158 39 LYS CB C 30.640 0.3 1 235 158 39 LYS CD C 28.638 0.3 1 236 158 39 LYS CE C 41.664 0.3 1 237 158 39 LYS CG C 23.591 0.3 1 238 158 39 LYS N N 120.833 0.3 1 239 159 40 LEU H H 7.686 0.020 1 240 159 40 LEU HA H 4.079 0.020 1 241 159 40 LEU HB2 H 1.561 0.020 2 242 159 40 LEU HB3 H 1.468 0.020 2 243 159 40 LEU HD1 H 0.690 0.020 2 244 159 40 LEU HD2 H 0.740 0.020 2 245 159 40 LEU HG H 1.763 0.020 1 246 159 40 LEU C C 174.508 0.3 1 247 159 40 LEU CA C 54.425 0.3 1 248 159 40 LEU CB C 41.160 0.3 1 249 159 40 LEU CD1 C 26.189 0.3 1 250 159 40 LEU CD2 C 22.336 0.3 1 251 159 40 LEU CG C 27.293 0.3 1 252 159 40 LEU N N 116.898 0.3 1 253 160 41 LYS H H 7.808 0.020 1 254 160 41 LYS HA H 3.796 0.020 1 255 160 41 LYS HB2 H 1.801 0.020 2 256 160 41 LYS HB3 H 1.535 0.020 2 257 160 41 LYS HD2 H 1.547 0.020 1 258 160 41 LYS HD3 H 1.547 0.020 1 259 160 41 LYS HE2 H 2.909 0.020 1 260 160 41 LYS HE3 H 2.909 0.020 1 261 160 41 LYS HG2 H 1.216 0.020 1 262 160 41 LYS HG3 H 1.216 0.020 1 263 160 41 LYS C C 174.857 0.3 1 264 160 41 LYS CA C 56.186 0.3 1 265 160 41 LYS CB C 30.526 0.3 1 266 160 41 LYS CD C 28.712 0.3 1 267 160 41 LYS CE C 41.729 0.3 1 268 160 41 LYS CG C 24.223 0.3 1 269 160 41 LYS N N 118.624 0.3 1 270 161 42 LYS H H 7.882 0.020 1 271 161 42 LYS HA H 4.653 0.020 1 272 161 42 LYS HB2 H 1.889 0.020 2 273 161 42 LYS HB3 H 1.245 0.020 2 274 161 42 LYS HD2 H 1.611 0.020 2 275 161 42 LYS HD3 H 1.528 0.020 2 276 161 42 LYS HE2 H 2.989 0.020 1 277 161 42 LYS HE3 H 2.989 0.020 1 278 161 42 LYS HG2 H 1.357 0.020 1 279 161 42 LYS HG3 H 1.357 0.020 1 280 161 42 LYS C C 174.086 0.3 1 281 161 42 LYS CA C 53.357 0.3 1 282 161 42 LYS CB C 37.053 0.3 1 283 161 42 LYS CD C 28.780 0.3 1 284 161 42 LYS CE C 41.779 0.3 1 285 161 42 LYS CG C 24.436 0.3 1 286 161 42 LYS N N 118.760 0.3 1 287 162 43 SER H H 8.158 0.020 1 288 162 43 SER HA H 4.393 0.020 1 289 162 43 SER HB2 H 4.073 0.020 2 290 162 43 SER HB3 H 3.852 0.020 2 291 162 43 SER C C 175.773 0.3 1 292 162 43 SER CA C 56.760 0.3 1 293 162 43 SER CB C 64.299 0.3 1 294 162 43 SER N N 114.998 0.3 1 295 163 44 LEU H H 8.680 0.020 1 296 163 44 LEU HA H 3.389 0.020 1 297 163 44 LEU HB2 H 1.477 0.020 2 298 163 44 LEU HB3 H 0.913 0.020 2 299 163 44 LEU HD1 H 0.593 0.020 2 300 163 44 LEU HD2 H 0.153 0.020 2 301 163 44 LEU HG H 1.410 0.020 1 302 163 44 LEU C C 178.928 0.3 1 303 163 44 LEU CA C 58.057 0.3 1 304 163 44 LEU CB C 40.904 0.3 1 305 163 44 LEU CD1 C 24.785 0.3 1 306 163 44 LEU CD2 C 21.788 0.3 1 307 163 44 LEU CG C 25.763 0.3 1 308 163 44 LEU N N 122.205 0.3 1 309 164 45 ASP H H 8.024 0.020 1 310 164 45 ASP HA H 4.262 0.020 1 311 164 45 ASP HB2 H 2.620 0.020 2 312 164 45 ASP HB3 H 2.494 0.020 2 313 164 45 ASP C C 176.064 0.3 1 314 164 45 ASP CA C 55.375 0.3 1 315 164 45 ASP CB C 39.830 0.3 1 316 164 45 ASP N N 114.770 0.3 1 317 165 46 SER H H 7.660 0.020 1 318 165 46 SER HA H 4.431 0.020 1 319 165 46 SER HB2 H 3.981 0.020 2 320 165 46 SER HB3 H 3.903 0.020 2 321 165 46 SER C C 172.152 0.3 1 322 165 46 SER CA C 58.536 0.3 1 323 165 46 SER CB C 64.039 0.3 1 324 165 46 SER N N 115.325 0.3 1 325 166 47 ILE H H 7.430 0.020 1 326 166 47 ILE HA H 4.522 0.020 1 327 166 47 ILE HB H 2.010 0.020 1 328 166 47 ILE HD1 H 0.697 0.020 1 329 166 47 ILE HG12 H 1.377 0.020 2 330 166 47 ILE HG13 H 1.236 0.020 2 331 166 47 ILE HG2 H 0.747 0.020 1 332 166 47 ILE C C 171.338 0.3 1 333 166 47 ILE CA C 55.704 0.3 1 334 166 47 ILE CB C 38.202 0.3 1 335 166 47 ILE CD1 C 12.396 0.3 1 336 166 47 ILE CG1 C 25.676 0.3 1 337 166 47 ILE CG2 C 17.318 0.3 1 338 166 47 ILE N N 123.656 0.3 1 339 167 48 PRO HA H 4.530 0.020 1 340 167 48 PRO HB2 H 2.322 0.020 2 341 167 48 PRO HB3 H 1.877 0.020 2 342 167 48 PRO HD2 H 3.909 0.020 2 343 167 48 PRO HD3 H 3.504 0.020 2 344 167 48 PRO HG2 H 1.981 0.020 2 345 167 48 PRO HG3 H 1.931 0.020 2 346 167 48 PRO CA C 61.536 0.3 1 347 167 48 PRO CB C 31.647 0.3 1 348 167 48 PRO CD C 50.980 0.3 1 349 167 48 PRO CG C 27.308 0.3 1 350 168 49 MET H H 8.628 0.020 1 351 168 49 MET HA H 4.294 0.020 1 352 168 49 MET HB2 H 1.856 0.020 1 353 168 49 MET HB3 H 1.856 0.020 1 354 168 49 MET HE H 1.710 0.020 1 355 168 49 MET HG2 H 2.381 0.020 2 356 168 49 MET HG3 H 1.697 0.020 2 357 168 49 MET C C 174.493 0.3 1 358 168 49 MET CA C 55.302 0.3 1 359 168 49 MET CB C 30.597 0.3 1 360 168 49 MET CE C 16.148 0.3 1 361 168 49 MET CG C 32.848 0.3 1 362 168 49 MET N N 122.235 0.3 1 363 169 50 SER H H 7.467 0.020 1 364 169 50 SER HA H 4.272 0.020 1 365 169 50 SER HB2 H 3.774 0.020 2 366 169 50 SER HB3 H 3.753 0.020 2 367 169 50 SER C C 174.537 0.3 1 368 169 50 SER CA C 57.818 0.3 1 369 169 50 SER CB C 62.798 0.3 1 370 169 50 SER N N 111.007 0.3 1 371 170 51 LYS H H 7.212 0.020 1 372 170 51 LYS HA H 4.595 0.020 1 373 170 51 LYS HB2 H 1.905 0.020 1 374 170 51 LYS HB3 H 1.905 0.020 1 375 170 51 LYS HD2 H 1.646 0.020 2 376 170 51 LYS HD3 H 1.542 0.020 2 377 170 51 LYS HE2 H 2.882 0.020 1 378 170 51 LYS HE3 H 2.882 0.020 1 379 170 51 LYS HG2 H 1.478 0.020 2 380 170 51 LYS HG3 H 1.424 0.020 2 381 170 51 LYS C C 174.377 0.3 1 382 170 51 LYS CA C 54.800 0.3 1 383 170 51 LYS CB C 34.057 0.3 1 384 170 51 LYS CD C 28.740 0.3 1 385 170 51 LYS CE C 41.410 0.3 1 386 170 51 LYS CG C 25.999 0.3 1 387 170 51 LYS N N 122.089 0.3 1 388 171 52 THR H H 8.254 0.020 1 389 171 52 THR HA H 4.360 0.020 1 390 171 52 THR HB H 4.523 0.020 1 391 171 52 THR HG2 H 0.843 0.020 1 392 171 52 THR C C 174.624 0.3 1 393 171 52 THR CA C 58.732 0.3 1 394 171 52 THR CB C 70.426 0.3 1 395 171 52 THR CG2 C 20.584 0.3 1 396 171 52 THR N N 109.895 0.3 1 397 172 53 ILE H H 10.100 0.020 1 398 172 53 ILE HA H 3.463 0.020 1 399 172 53 ILE HB H 1.572 0.020 1 400 172 53 ILE HD1 H 0.737 0.020 1 401 172 53 ILE HG12 H 2.057 0.020 2 402 172 53 ILE HG13 H 0.786 0.020 2 403 172 53 ILE HG2 H 0.863 0.020 1 404 172 53 ILE C C 176.209 0.3 1 405 172 53 ILE CA C 66.142 0.3 1 406 172 53 ILE CB C 38.648 0.3 1 407 172 53 ILE CD1 C 13.634 0.3 1 408 172 53 ILE CG1 C 30.944 0.3 1 409 172 53 ILE CG2 C 17.849 0.3 1 410 172 53 ILE N N 122.985 0.3 1 411 173 54 LYS H H 8.280 0.020 1 412 173 54 LYS HA H 3.939 0.020 1 413 173 54 LYS HB2 H 1.676 0.020 2 414 173 54 LYS HB3 H 1.519 0.020 2 415 173 54 LYS HD2 H 1.576 0.020 1 416 173 54 LYS HD3 H 1.576 0.020 1 417 173 54 LYS HE2 H 2.879 0.020 1 418 173 54 LYS HE3 H 2.879 0.020 1 419 173 54 LYS HG2 H 1.359 0.020 1 420 173 54 LYS HG3 H 1.359 0.020 1 421 173 54 LYS C C 178.245 0.3 1 422 173 54 LYS CA C 59.664 0.3 1 423 173 54 LYS CB C 32.268 0.3 1 424 173 54 LYS CD C 29.612 0.3 1 425 173 54 LYS CE C 41.508 0.3 1 426 173 54 LYS CG C 24.406 0.3 1 427 173 54 LYS N N 119.718 0.3 1 428 174 55 ASP H H 7.866 0.020 1 429 174 55 ASP HA H 4.314 0.020 1 430 174 55 ASP HB2 H 2.889 0.020 2 431 174 55 ASP HB3 H 2.678 0.020 2 432 174 55 ASP C C 178.550 0.3 1 433 174 55 ASP CA C 56.603 0.3 1 434 174 55 ASP CB C 41.286 0.3 1 435 174 55 ASP N N 119.709 0.3 1 436 175 56 LEU H H 8.177 0.020 1 437 175 56 LEU HA H 4.072 0.020 1 438 175 56 LEU HB2 H 1.875 0.020 2 439 175 56 LEU HB3 H 1.270 0.020 2 440 175 56 LEU HD1 H 0.881 0.020 2 441 175 56 LEU HD2 H 0.656 0.020 2 442 175 56 LEU HG H 1.874 0.020 1 443 175 56 LEU C C 178.375 0.3 1 444 175 56 LEU CA C 56.938 0.3 1 445 175 56 LEU CB C 42.627 0.3 1 446 175 56 LEU CD1 C 23.001 0.3 1 447 175 56 LEU CD2 C 26.282 0.3 1 448 175 56 LEU CG C 26.332 0.3 1 449 175 56 LEU N N 120.921 0.3 1 450 176 57 VAL H H 7.966 0.020 1 451 176 57 VAL HA H 4.275 0.020 1 452 176 57 VAL HB H 2.490 0.020 1 453 176 57 VAL HG1 H 0.947 0.020 2 454 176 57 VAL HG2 H 0.884 0.020 2 455 176 57 VAL C C 177.372 0.3 1 456 176 57 VAL CA C 61.465 0.3 1 457 176 57 VAL CB C 31.437 0.3 1 458 176 57 VAL CG1 C 19.192 0.3 1 459 176 57 VAL CG2 C 21.802 0.3 1 460 176 57 VAL N N 110.279 0.3 1 461 177 58 GLY H H 7.787 0.020 1 462 177 58 GLY HA2 H 3.964 0.020 2 463 177 58 GLY HA3 H 3.804 0.020 2 464 177 58 GLY C C 175.046 0.3 1 465 177 58 GLY CA C 47.226 0.3 1 466 177 58 GLY N N 112.423 0.3 1 467 178 59 GLY H H 8.521 0.020 1 468 178 59 GLY HA2 H 4.038 0.020 2 469 178 59 GLY HA3 H 3.691 0.020 2 470 178 59 GLY C C 173.679 0.3 1 471 178 59 GLY CA C 44.900 0.3 1 472 178 59 GLY N N 107.968 0.3 1 473 179 60 LYS H H 7.184 0.020 1 474 179 60 LYS HA H 4.480 0.020 1 475 179 60 LYS HB2 H 1.899 0.020 2 476 179 60 LYS HB3 H 1.810 0.020 2 477 179 60 LYS HD2 H 1.678 0.020 1 478 179 60 LYS HD3 H 1.678 0.020 1 479 179 60 LYS HE2 H 2.985 0.020 1 480 179 60 LYS HE3 H 2.985 0.020 1 481 179 60 LYS HG2 H 1.517 0.020 2 482 179 60 LYS HG3 H 1.410 0.020 2 483 179 60 LYS C C 175.511 0.3 1 484 179 60 LYS CA C 54.988 0.3 1 485 179 60 LYS CB C 30.654 0.3 1 486 179 60 LYS CD C 28.769 0.3 1 487 179 60 LYS CE C 41.711 0.3 1 488 179 60 LYS CG C 24.213 0.3 1 489 179 60 LYS N N 121.653 0.3 1 490 180 61 SER H H 8.276 0.020 1 491 180 61 SER HA H 4.459 0.020 1 492 180 61 SER HB2 H 3.845 0.020 1 493 180 61 SER HB3 H 3.845 0.020 1 494 180 61 SER C C 176.053 0.3 1 495 180 61 SER CA C 61.212 0.3 1 496 180 61 SER CB C 62.460 0.3 1 497 180 61 SER N N 124.196 0.3 1 498 181 62 THR H H 8.002 0.020 1 499 181 62 THR HA H 4.022 0.020 1 500 181 62 THR HB H 4.176 0.020 1 501 181 62 THR HG2 H 1.246 0.020 1 502 181 62 THR C C 176.049 0.3 1 503 181 62 THR CA C 65.102 0.3 1 504 181 62 THR CB C 67.610 0.3 1 505 181 62 THR CG2 C 21.969 0.3 1 506 181 62 THR N N 123.719 0.3 1 507 182 63 VAL H H 6.957 0.020 1 508 182 63 VAL HA H 3.739 0.020 1 509 182 63 VAL HB H 2.024 0.020 1 510 182 63 VAL HG1 H 0.983 0.020 2 511 182 63 VAL HG2 H 0.913 0.020 2 512 182 63 VAL C C 177.096 0.3 1 513 182 63 VAL CA C 65.204 0.3 1 514 182 63 VAL CB C 31.461 0.3 1 515 182 63 VAL CG1 C 22.137 0.3 1 516 182 63 VAL CG2 C 21.169 0.3 1 517 182 63 VAL N N 123.252 0.3 1 518 183 64 GLN H H 7.601 0.020 1 519 183 64 GLN HA H 3.590 0.020 1 520 183 64 GLN HB2 H 2.155 0.020 1 521 183 64 GLN HB3 H 2.155 0.020 1 522 183 64 GLN HE21 H 7.347 0.020 1 523 183 64 GLN HE22 H 6.581 0.020 1 524 183 64 GLN HG2 H 2.068 0.020 2 525 183 64 GLN HG3 H 1.785 0.020 2 526 183 64 GLN C C 176.173 0.3 1 527 183 64 GLN CA C 59.888 0.3 1 528 183 64 GLN CB C 29.833 0.3 1 529 183 64 GLN CG C 34.421 0.3 1 530 183 64 GLN N N 120.610 0.3 1 531 183 64 GLN NE2 N 111.134 0.3 1 532 184 65 ASN H H 8.246 0.020 1 533 184 65 ASN HA H 4.441 0.020 1 534 184 65 ASN HB2 H 2.898 0.020 2 535 184 65 ASN HB3 H 2.801 0.020 2 536 184 65 ASN HD21 H 7.549 0.020 1 537 184 65 ASN HD22 H 6.926 0.020 1 538 184 65 ASN C C 178.026 0.3 1 539 184 65 ASN CA C 55.796 0.3 1 540 184 65 ASN CB C 37.320 0.3 1 541 184 65 ASN N N 117.263 0.3 1 542 184 65 ASN ND2 N 113.469 0.3 1 543 185 66 GLU H H 8.005 0.020 1 544 185 66 GLU HA H 4.092 0.020 1 545 185 66 GLU HB2 H 2.213 0.020 2 546 185 66 GLU HB3 H 1.956 0.020 2 547 185 66 GLU HG2 H 2.563 0.020 2 548 185 66 GLU HG3 H 2.168 0.020 2 549 185 66 GLU C C 178.230 0.3 1 550 185 66 GLU CA C 59.360 0.3 1 551 185 66 GLU CB C 29.418 0.3 1 552 185 66 GLU CG C 36.302 0.3 1 553 185 66 GLU N N 123.654 0.3 1 554 186 67 ILE H H 8.258 0.020 1 555 186 67 ILE HA H 3.746 0.020 1 556 186 67 ILE HB H 1.920 0.020 1 557 186 67 ILE HD1 H 0.788 0.020 1 558 186 67 ILE HG12 H 1.909 0.020 2 559 186 67 ILE HG13 H 0.948 0.020 2 560 186 67 ILE HG2 H 0.903 0.020 1 561 186 67 ILE C C 177.023 0.3 1 562 186 67 ILE CA C 65.182 0.3 1 563 186 67 ILE CB C 37.727 0.3 1 564 186 67 ILE CD1 C 13.943 0.3 1 565 186 67 ILE CG1 C 29.972 0.3 1 566 186 67 ILE CG2 C 17.687 0.3 1 567 186 67 ILE N N 120.406 0.3 1 568 187 68 LEU H H 8.348 0.020 1 569 187 68 LEU HA H 3.938 0.020 1 570 187 68 LEU HB2 H 1.949 0.020 2 571 187 68 LEU HB3 H 1.550 0.020 2 572 187 68 LEU HD1 H 0.975 0.020 2 573 187 68 LEU HD2 H 0.819 0.020 2 574 187 68 LEU HG H 1.974 0.020 1 575 187 68 LEU C C 180.062 0.3 1 576 187 68 LEU CA C 58.260 0.3 1 577 187 68 LEU CB C 40.178 0.3 1 578 187 68 LEU CD1 C 25.378 0.3 1 579 187 68 LEU CD2 C 23.077 0.3 1 580 187 68 LEU CG C 26.781 0.3 1 581 187 68 LEU N N 119.492 0.3 1 582 188 69 GLY H H 8.282 0.020 1 583 188 69 GLY HA2 H 3.978 0.020 2 584 188 69 GLY HA3 H 3.840 0.020 2 585 188 69 GLY C C 175.816 0.3 1 586 188 69 GLY CA C 46.781 0.3 1 587 188 69 GLY N N 110.313 0.3 1 588 189 70 ASP H H 8.184 0.020 1 589 189 70 ASP HA H 4.252 0.020 1 590 189 70 ASP HB2 H 3.081 0.020 2 591 189 70 ASP HB3 H 2.326 0.020 2 592 189 70 ASP C C 177.794 0.3 1 593 189 70 ASP CA C 57.536 0.3 1 594 189 70 ASP CB C 39.630 0.3 1 595 189 70 ASP N N 126.681 0.3 1 596 190 71 LEU H H 8.456 0.020 1 597 190 71 LEU HA H 3.987 0.020 1 598 190 71 LEU HB2 H 2.104 0.020 2 599 190 71 LEU HB3 H 1.480 0.020 2 600 190 71 LEU HD1 H 0.855 0.020 2 601 190 71 LEU HD2 H 0.844 0.020 2 602 190 71 LEU HG H 2.214 0.020 1 603 190 71 LEU C C 178.695 0.3 1 604 190 71 LEU CA C 57.597 0.3 1 605 190 71 LEU CB C 40.849 0.3 1 606 190 71 LEU CD1 C 24.949 0.3 1 607 190 71 LEU CD2 C 22.694 0.3 1 608 190 71 LEU CG C 26.005 0.3 1 609 190 71 LEU N N 119.240 0.3 1 610 191 72 GLY H H 8.173 0.020 1 611 191 72 GLY HA2 H 3.886 0.020 1 612 191 72 GLY HA3 H 3.886 0.020 1 613 191 72 GLY C C 176.238 0.3 1 614 191 72 GLY CA C 46.752 0.3 1 615 191 72 GLY N N 107.630 0.3 1 616 192 73 LYS H H 7.800 0.020 1 617 192 73 LYS HA H 4.021 0.020 1 618 192 73 LYS HB2 H 1.879 0.020 2 619 192 73 LYS HB3 H 1.752 0.020 2 620 192 73 LYS HD2 H 1.652 0.020 2 621 192 73 LYS HD3 H 1.564 0.020 2 622 192 73 LYS HE2 H 2.848 0.020 1 623 192 73 LYS HE3 H 2.848 0.020 1 624 192 73 LYS HG2 H 1.564 0.020 2 625 192 73 LYS HG3 H 1.352 0.020 2 626 192 73 LYS C C 177.081 0.3 1 627 192 73 LYS CA C 58.625 0.3 1 628 192 73 LYS CB C 32.935 0.3 1 629 192 73 LYS CD C 29.152 0.3 1 630 192 73 LYS CE C 41.900 0.3 1 631 192 73 LYS CG C 25.489 0.3 1 632 192 73 LYS N N 122.623 0.3 1 633 193 74 GLU H H 8.029 0.020 1 634 193 74 GLU HA H 4.051 0.020 1 635 193 74 GLU HB2 H 1.771 0.020 2 636 193 74 GLU HG2 H 2.260 0.020 2 637 193 74 GLU HG3 H 2.239 0.020 2 638 193 74 GLU C C 176.863 0.3 1 639 193 74 GLU CA C 58.406 0.3 1 640 193 74 GLU CB C 30.110 0.3 1 641 193 74 GLU CG C 35.578 0.3 1 642 193 74 GLU N N 120.266 0.3 1 643 194 75 PHE H H 8.353 0.020 1 644 194 75 PHE HA H 4.487 0.020 1 645 194 75 PHE HB2 H 2.998 0.020 2 646 194 75 PHE HB3 H 2.354 0.020 2 647 194 75 PHE HD1 H 6.862 0.020 1 648 194 75 PHE HD2 H 6.862 0.020 1 649 194 75 PHE HE1 H 6.219 0.020 1 650 194 75 PHE HE2 H 6.219 0.020 1 651 194 75 PHE HZ H 6.591 0.020 1 652 194 75 PHE C C 176.602 0.3 1 653 194 75 PHE CA C 58.948 0.3 1 654 194 75 PHE CB C 40.186 0.3 1 655 194 75 PHE CD1 C 131.661 0.3 1 656 194 75 PHE CD2 C 131.661 0.3 1 657 194 75 PHE CE1 C 129.387 0.3 1 658 194 75 PHE CE2 C 129.387 0.3 1 659 194 75 PHE CZ C 127.673 0.3 1 660 194 75 PHE N N 114.235 0.3 1 661 195 76 GLY H H 7.932 0.020 1 662 195 76 GLY HA2 H 4.365 0.020 2 663 195 76 GLY HA3 H 3.798 0.020 2 664 195 76 GLY C C 172.676 0.3 1 665 195 76 GLY CA C 45.925 0.3 1 666 195 76 GLY N N 111.411 0.3 1 667 196 77 THR H H 7.642 0.020 1 668 196 77 THR HA H 4.450 0.020 1 669 196 77 THR HB H 4.152 0.020 1 670 196 77 THR HG2 H 1.134 0.020 1 671 196 77 THR C C 172.080 0.3 1 672 196 77 THR CA C 60.808 0.3 1 673 196 77 THR CB C 69.739 0.3 1 674 196 77 THR CG2 C 20.403 0.3 1 675 196 77 THR N N 115.623 0.3 1 676 197 78 THR H H 8.151 0.020 1 677 197 78 THR HA H 4.850 0.020 1 678 197 78 THR HB H 4.112 0.020 1 679 197 78 THR HG2 H 1.268 0.020 1 680 197 78 THR C C 171.435 0.3 1 681 197 78 THR CA C 58.630 0.3 1 682 197 78 THR CB C 69.870 0.3 1 683 197 78 THR CG2 C 21.028 0.3 1 684 197 78 THR N N 116.131 0.3 1 685 198 79 PRO HA H 4.483 0.020 1 686 198 79 PRO HB2 H 2.098 0.020 2 687 198 79 PRO HB3 H 1.739 0.020 2 688 198 79 PRO HD2 H 3.451 0.020 2 689 198 79 PRO HD3 H 3.150 0.020 2 690 198 79 PRO HG2 H 1.485 0.020 2 691 198 79 PRO HG3 H 1.376 0.020 2 692 198 79 PRO CA C 61.574 0.3 1 693 198 79 PRO CB C 32.060 0.3 1 694 198 79 PRO CD C 50.108 0.3 1 695 198 79 PRO CG C 26.858 0.3 1 696 199 80 GLU H H 8.256 0.020 1 697 199 80 GLU HA H 3.990 0.020 1 698 199 80 GLU HB2 H 1.864 0.020 1 699 199 80 GLU HB3 H 1.864 0.020 1 700 199 80 GLU HG2 H 2.232 0.020 2 701 199 80 GLU HG3 H 2.204 0.020 2 702 199 80 GLU C C 175.043 0.3 1 703 199 80 GLU CA C 56.722 0.3 1 704 199 80 GLU CB C 29.987 0.3 1 705 199 80 GLU CG C 36.100 0.3 1 706 199 80 GLU N N 120.042 0.3 1 707 200 81 LYS H H 8.899 0.020 1 708 200 81 LYS HA H 4.083 0.020 1 709 200 81 LYS HB2 H 1.650 0.020 1 710 200 81 LYS HB3 H 1.650 0.020 1 711 200 81 LYS HD2 H 1.607 0.020 2 712 200 81 LYS HD3 H 1.552 0.020 2 713 200 81 LYS HE2 H 2.874 0.020 1 714 200 81 LYS HE3 H 2.874 0.020 1 715 200 81 LYS HG2 H 1.323 0.020 1 716 200 81 LYS HG3 H 1.323 0.020 1 717 200 81 LYS C C 174.837 0.3 1 718 200 81 LYS CA C 55.573 0.3 1 719 200 81 LYS CB C 31.245 0.3 1 720 200 81 LYS CD C 29.068 0.3 1 721 200 81 LYS CE C 41.837 0.3 1 722 200 81 LYS CG C 24.505 0.3 1 723 200 81 LYS N N 119.182 0.3 1 724 201 82 PRO HA H 4.109 0.020 1 725 201 82 PRO HB2 H 1.847 0.020 2 726 201 82 PRO HB3 H 1.709 0.020 2 727 201 82 PRO HD2 H 4.026 0.020 2 728 201 82 PRO HD3 H 3.706 0.020 2 729 201 82 PRO HG2 H 2.017 0.020 1 730 201 82 PRO HG3 H 2.017 0.020 1 731 201 82 PRO CA C 64.584 0.3 1 732 201 82 PRO CB C 30.631 0.3 1 733 201 82 PRO CD C 49.673 0.3 1 734 201 82 PRO CG C 27.475 0.3 1 735 202 83 GLU H H 10.615 0.020 1 736 202 83 GLU HA H 4.155 0.020 1 737 202 83 GLU HB2 H 1.861 0.020 2 738 202 83 GLU HB3 H 1.712 0.020 2 739 202 83 GLU HG2 H 2.387 0.020 2 740 202 83 GLU HG3 H 2.022 0.020 2 741 202 83 GLU C C 173.274 0.3 1 742 202 83 GLU CA C 58.147 0.3 1 743 202 83 GLU CB C 30.787 0.3 1 744 202 83 GLU CG C 35.088 0.3 1 745 202 83 GLU N N 120.921 0.3 1 746 203 84 GLU H H 7.257 0.020 1 747 203 84 GLU HA H 4.597 0.020 1 748 203 84 GLU HB2 H 2.377 0.020 2 749 203 84 GLU HB3 H 1.725 0.020 2 750 203 84 GLU HG2 H 2.082 0.020 2 751 203 84 GLU HG3 H 2.036 0.020 2 752 203 84 GLU C C 174.231 0.3 1 753 203 84 GLU CA C 54.936 0.3 1 754 203 84 GLU CB C 30.329 0.3 1 755 203 84 GLU CG C 36.750 0.3 1 756 203 84 GLU N N 118.053 0.3 1 757 204 85 THR H H 7.200 0.020 1 758 204 85 THR HA H 4.620 0.020 1 759 204 85 THR HB H 3.786 0.020 1 760 204 85 THR HG2 H 1.163 0.020 1 761 204 85 THR C C 170.422 0.3 1 762 204 85 THR CA C 59.692 0.3 1 763 204 85 THR CB C 70.834 0.3 1 764 204 85 THR CG2 C 20.629 0.3 1 765 204 85 THR N N 119.915 0.3 1 766 205 86 PRO HA H 3.737 0.020 1 767 205 86 PRO HB2 H 2.252 0.020 2 768 205 86 PRO HB3 H 1.636 0.020 2 769 205 86 PRO HD2 H 3.667 0.020 2 770 205 86 PRO HD3 H 2.876 0.020 2 771 205 86 PRO HG2 H 1.157 0.020 1 772 205 86 PRO HG3 H 1.157 0.020 1 773 205 86 PRO CA C 62.994 0.3 1 774 205 86 PRO CB C 32.244 0.3 1 775 205 86 PRO CD C 50.681 0.3 1 776 205 86 PRO CG C 26.622 0.3 1 777 206 87 LEU H H 8.613 0.020 1 778 206 87 LEU HA H 3.841 0.020 1 779 206 87 LEU HB2 H 2.254 0.020 2 780 206 87 LEU HB3 H 1.199 0.020 2 781 206 87 LEU HD1 H 0.811 0.020 2 782 206 87 LEU HD2 H 0.735 0.020 2 783 206 87 LEU HG H 2.121 0.020 1 784 206 87 LEU C C 178.157 0.3 1 785 206 87 LEU CA C 59.026 0.3 1 786 206 87 LEU CB C 41.493 0.3 1 787 206 87 LEU CD1 C 22.999 0.3 1 788 206 87 LEU CD2 C 25.992 0.3 1 789 206 87 LEU CG C 26.391 0.3 1 790 206 87 LEU N N 127.212 0.3 1 791 207 88 GLU H H 8.922 0.020 1 792 207 88 GLU HA H 3.868 0.020 1 793 207 88 GLU HB2 H 1.895 0.020 2 794 207 88 GLU HB3 H 1.813 0.020 2 795 207 88 GLU HG2 H 2.049 0.020 1 796 207 88 GLU HG3 H 2.049 0.020 1 797 207 88 GLU C C 177.110 0.3 1 798 207 88 GLU CA C 58.317 0.3 1 799 207 88 GLU CB C 28.627 0.3 1 800 207 88 GLU CG C 34.119 0.3 1 801 207 88 GLU N N 115.483 0.3 1 802 208 89 GLU H H 7.093 0.020 1 803 208 89 GLU HA H 4.080 0.020 1 804 208 89 GLU HB2 H 1.911 0.020 2 805 208 89 GLU HB3 H 1.897 0.020 2 806 208 89 GLU HG2 H 2.091 0.020 1 807 208 89 GLU HG3 H 2.091 0.020 1 808 208 89 GLU C C 178.215 0.3 1 809 208 89 GLU CA C 58.082 0.3 1 810 208 89 GLU CB C 29.354 0.3 1 811 208 89 GLU CG C 36.183 0.3 1 812 208 89 GLU N N 121.517 0.3 1 813 209 90 LEU H H 8.188 0.020 1 814 209 90 LEU HA H 3.646 0.020 1 815 209 90 LEU HB2 H 1.474 0.020 2 816 209 90 LEU HB3 H 1.419 0.020 2 817 209 90 LEU HD1 H 0.720 0.020 2 818 209 90 LEU HD2 H 0.636 0.020 2 819 209 90 LEU HG H 1.300 0.020 1 820 209 90 LEU C C 177.399 0.3 1 821 209 90 LEU CA C 57.011 0.3 1 822 209 90 LEU CB C 41.539 0.3 1 823 209 90 LEU CD1 C 23.840 0.3 1 824 209 90 LEU CD2 C 23.796 0.3 1 825 209 90 LEU CG C 25.850 0.3 1 826 209 90 LEU N N 124.225 0.3 1 827 210 91 ALA H H 8.556 0.020 1 828 210 91 ALA HA H 3.613 0.020 1 829 210 91 ALA HB H 1.253 0.020 1 830 210 91 ALA C C 177.488 0.3 1 831 210 91 ALA CA C 55.053 0.3 1 832 210 91 ALA CB C 17.193 0.3 1 833 210 91 ALA N N 118.870 0.3 1 834 211 92 GLU H H 6.978 0.020 1 835 211 92 GLU HA H 4.004 0.020 1 836 211 92 GLU HB2 H 2.251 0.020 2 837 211 92 GLU HB3 H 2.039 0.020 2 838 211 92 GLU HG2 H 2.389 0.020 2 839 211 92 GLU HG3 H 2.255 0.020 2 840 211 92 GLU C C 178.099 0.3 1 841 211 92 GLU CA C 58.587 0.3 1 842 211 92 GLU CB C 28.717 0.3 1 843 211 92 GLU CG C 35.614 0.3 1 844 211 92 GLU N N 117.713 0.3 1 845 212 93 THR H H 7.489 0.020 1 846 212 93 THR HA H 3.925 0.020 1 847 212 93 THR HB H 3.872 0.020 1 848 212 93 THR HG2 H 0.917 0.020 1 849 212 93 THR C C 177.023 0.3 1 850 212 93 THR CA C 65.897 0.3 1 851 212 93 THR CB C 67.703 0.3 1 852 212 93 THR CG2 C 21.334 0.3 1 853 212 93 THR N N 117.911 0.3 1 854 213 94 PHE H H 8.025 0.020 1 855 213 94 PHE HA H 4.360 0.020 1 856 213 94 PHE HB2 H 2.276 0.020 2 857 213 94 PHE HB3 H 2.241 0.020 2 858 213 94 PHE HD1 H 6.508 0.020 1 859 213 94 PHE HD2 H 6.508 0.020 1 860 213 94 PHE HE1 H 7.016 0.020 1 861 213 94 PHE HE2 H 7.016 0.020 1 862 213 94 PHE HZ H 6.857 0.020 1 863 213 94 PHE C C 177.765 0.3 1 864 213 94 PHE CA C 58.757 0.3 1 865 213 94 PHE CB C 37.729 0.3 1 866 213 94 PHE CD1 C 130.608 0.3 1 867 213 94 PHE CD2 C 130.608 0.3 1 868 213 94 PHE CE1 C 130.388 0.3 1 869 213 94 PHE CE2 C 130.388 0.3 1 870 213 94 PHE CZ C 127.415 0.3 1 871 213 94 PHE N N 121.848 0.3 1 872 214 95 GLN H H 8.634 0.020 1 873 214 95 GLN HA H 3.907 0.020 1 874 214 95 GLN HB2 H 2.464 0.020 2 875 214 95 GLN HB3 H 2.237 0.020 2 876 214 95 GLN HE21 H 8.078 0.020 1 877 214 95 GLN HE22 H 7.664 0.020 1 878 214 95 GLN HG2 H 2.557 0.020 1 879 214 95 GLN HG3 H 2.557 0.020 1 880 214 95 GLN C C 175.773 0.3 1 881 214 95 GLN CA C 57.691 0.3 1 882 214 95 GLN CB C 28.085 0.3 1 883 214 95 GLN CG C 33.016 0.3 1 884 214 95 GLN N N 120.705 0.3 1 885 214 95 GLN NE2 N 118.133 0.3 1 886 215 96 ASP H H 7.231 0.020 1 887 215 96 ASP HA H 4.518 0.020 1 888 215 96 ASP HB2 H 2.861 0.020 2 889 215 96 ASP HB3 H 2.723 0.020 2 890 215 96 ASP C C 176.631 0.3 1 891 215 96 ASP CA C 57.303 0.3 1 892 215 96 ASP CB C 41.344 0.3 1 893 215 96 ASP N N 117.057 0.3 1 894 216 97 THR H H 7.369 0.020 1 895 216 97 THR HA H 4.658 0.020 1 896 216 97 THR HB H 4.644 0.020 1 897 216 97 THR HG2 H 1.196 0.020 1 898 216 97 THR C C 173.519 0.3 1 899 216 97 THR CA C 60.165 0.3 1 900 216 97 THR CB C 69.333 0.3 1 901 216 97 THR CG2 C 21.307 0.3 1 902 216 97 THR N N 105.498 0.3 1 903 217 98 PHE H H 7.818 0.020 1 904 217 98 PHE HA H 5.085 0.020 1 905 217 98 PHE HB2 H 3.627 0.020 2 906 217 98 PHE HB3 H 3.012 0.020 2 907 217 98 PHE HD1 H 7.581 0.020 1 908 217 98 PHE HD2 H 7.581 0.020 1 909 217 98 PHE HE1 H 7.526 0.020 1 910 217 98 PHE HE2 H 7.526 0.020 1 911 217 98 PHE HZ H 6.841 0.020 1 912 217 98 PHE C C 175.700 0.3 1 913 217 98 PHE CA C 56.724 0.3 1 914 217 98 PHE CB C 40.950 0.3 1 915 217 98 PHE CD1 C 131.178 0.3 1 916 217 98 PHE CD2 C 131.178 0.3 1 917 217 98 PHE CE1 C 132.756 0.3 1 918 217 98 PHE CE2 C 132.756 0.3 1 919 217 98 PHE CZ C 130.895 0.3 1 920 217 98 PHE N N 125.559 0.3 1 921 218 99 SER H H 8.869 0.020 1 922 218 99 SER HA H 4.165 0.020 1 923 218 99 SER HB2 H 3.859 0.020 1 924 218 99 SER HB3 H 3.859 0.020 1 925 218 99 SER C C 174.447 0.3 1 926 218 99 SER CA C 58.775 0.3 1 927 218 99 SER CB C 64.054 0.3 1 928 218 99 SER N N 125.092 0.3 1 929 219 100 GLY HA2 H 3.989 0.020 2 930 219 100 GLY HA3 H 3.240 0.020 2 931 219 100 GLY C C 170.233 0.3 1 932 219 100 GLY CA C 45.492 0.3 1 933 220 101 ALA H H 6.945 0.020 1 934 220 101 ALA HA H 4.444 0.020 1 935 220 101 ALA HB H 1.063 0.020 1 936 220 101 ALA C C 175.962 0.3 1 937 220 101 ALA CA C 49.702 0.3 1 938 220 101 ALA CB C 19.818 0.3 1 939 220 101 ALA N N 123.214 0.3 1 940 221 102 LEU H H 8.408 0.020 1 941 221 102 LEU HA H 3.789 0.020 1 942 221 102 LEU HB2 H 1.700 0.020 2 943 221 102 LEU HB3 H 1.448 0.020 2 944 221 102 LEU HD1 H 0.785 0.020 2 945 221 102 LEU HD2 H 0.672 0.020 2 946 221 102 LEU HG H 1.677 0.020 1 947 221 102 LEU C C 177.518 0.3 1 948 221 102 LEU CA C 56.127 0.3 1 949 221 102 LEU CB C 39.786 0.3 1 950 221 102 LEU CD1 C 22.597 0.3 1 951 221 102 LEU CD2 C 25.104 0.3 1 952 221 102 LEU CG C 26.705 0.3 1 953 221 102 LEU N N 121.247 0.3 1 954 222 103 GLY H H 8.232 0.020 1 955 222 103 GLY HA2 H 4.259 0.020 2 956 222 103 GLY HA3 H 3.626 0.020 2 957 222 103 GLY C C 174.769 0.3 1 958 222 103 GLY CA C 43.457 0.3 1 959 222 103 GLY N N 113.672 0.3 1 960 223 104 LYS H H 8.877 0.020 1 961 223 104 LYS HA H 3.852 0.020 1 962 223 104 LYS HB2 H 1.727 0.020 2 963 223 104 LYS HB3 H 1.662 0.020 2 964 223 104 LYS HD2 H 1.649 0.020 1 965 223 104 LYS HD3 H 1.649 0.020 1 966 223 104 LYS HE2 H 2.968 0.020 1 967 223 104 LYS HE3 H 2.968 0.020 1 968 223 104 LYS HG2 H 1.513 0.020 2 969 223 104 LYS HG3 H 1.410 0.020 2 970 223 104 LYS C C 178.303 0.3 1 971 223 104 LYS CA C 59.023 0.3 1 972 223 104 LYS CB C 32.906 0.3 1 973 223 104 LYS CD C 28.656 0.3 1 974 223 104 LYS CE C 41.485 0.3 1 975 223 104 LYS CG C 24.441 0.3 1 976 223 104 LYS N N 119.168 0.3 1 977 224 105 GLN H H 7.914 0.020 1 978 224 105 GLN HA H 4.404 0.020 1 979 224 105 GLN HB2 H 2.181 0.020 2 980 224 105 GLN HB3 H 1.945 0.020 2 981 224 105 GLN HE21 H 7.091 0.020 1 982 224 105 GLN HE22 H 6.668 0.020 1 983 224 105 GLN HG2 H 2.198 0.020 2 984 224 105 GLN HG3 H 2.063 0.020 2 985 224 105 GLN C C 177.808 0.3 1 986 224 105 GLN CA C 56.972 0.3 1 987 224 105 GLN CB C 27.516 0.3 1 988 224 105 GLN CG C 31.953 0.3 1 989 224 105 GLN N N 120.987 0.3 1 990 224 105 GLN NE2 N 111.099 0.3 1 991 225 106 SER H H 10.555 0.020 1 992 225 106 SER HA H 3.444 0.020 1 993 225 106 SER HB2 H 3.451 0.020 2 994 225 106 SER HB3 H 3.334 0.020 2 995 225 106 SER C C 177.518 0.3 1 996 225 106 SER CA C 62.440 0.3 1 997 225 106 SER CB C 60.439 0.3 1 998 225 106 SER N N 123.171 0.3 1 999 226 107 SER H H 7.957 0.020 1 1000 226 107 SER HA H 4.727 0.020 1 1001 226 107 SER HB2 H 3.966 0.020 2 1002 226 107 SER HB3 H 3.702 0.020 2 1003 226 107 SER C C 176.078 0.3 1 1004 226 107 SER CA C 62.852 0.3 1 1005 226 107 SER CB C 62.154 0.3 1 1006 226 107 SER N N 118.048 0.3 1 1007 227 108 SER H H 7.297 0.020 1 1008 227 108 SER HA H 4.231 0.020 1 1009 227 108 SER HB2 H 3.965 0.020 1 1010 227 108 SER HB3 H 3.965 0.020 1 1011 227 108 SER C C 176.500 0.3 1 1012 227 108 SER CA C 61.138 0.3 1 1013 227 108 SER CB C 62.420 0.3 1 1014 227 108 SER N N 119.716 0.3 1 1015 228 109 LEU H H 8.130 0.020 1 1016 228 109 LEU HA H 3.899 0.020 1 1017 228 109 LEU HB2 H 1.685 0.020 2 1018 228 109 LEU HB3 H 1.051 0.020 2 1019 228 109 LEU HD1 H 0.477 0.020 2 1020 228 109 LEU HD2 H 0.685 0.020 2 1021 228 109 LEU HG H 1.681 0.020 1 1022 228 109 LEU C C 179.699 0.3 1 1023 228 109 LEU CA C 57.361 0.3 1 1024 228 109 LEU CB C 42.104 0.3 1 1025 228 109 LEU CD1 C 25.373 0.3 1 1026 228 109 LEU CD2 C 21.854 0.3 1 1027 228 109 LEU CG C 26.056 0.3 1 1028 228 109 LEU N N 124.051 0.3 1 1029 229 110 LEU H H 8.523 0.020 1 1030 229 110 LEU HA H 3.990 0.020 1 1031 229 110 LEU HB2 H 1.833 0.020 2 1032 229 110 LEU HB3 H 1.339 0.020 2 1033 229 110 LEU HD1 H 0.731 0.020 2 1034 229 110 LEU HD2 H 0.488 0.020 2 1035 229 110 LEU HG H 1.714 0.020 1 1036 229 110 LEU C C 177.663 0.3 1 1037 229 110 LEU CA C 57.537 0.3 1 1038 229 110 LEU CB C 41.442 0.3 1 1039 229 110 LEU CD1 C 24.910 0.3 1 1040 229 110 LEU CD2 C 25.093 0.3 1 1041 229 110 LEU CG C 26.757 0.3 1 1042 229 110 LEU N N 122.339 0.3 1 1043 230 111 SER H H 7.979 0.020 1 1044 230 111 SER HA H 4.122 0.020 1 1045 230 111 SER HB2 H 3.994 0.020 1 1046 230 111 SER HB3 H 3.994 0.020 1 1047 230 111 SER C C 176.660 0.3 1 1048 230 111 SER CA C 61.657 0.3 1 1049 230 111 SER CB C 62.253 0.3 1 1050 230 111 SER N N 116.007 0.3 1 1051 231 112 ARG H H 7.829 0.020 1 1052 231 112 ARG HA H 4.145 0.020 1 1053 231 112 ARG HB2 H 1.919 0.020 2 1054 231 112 ARG HB3 H 1.854 0.020 2 1055 231 112 ARG HD2 H 3.131 0.020 1 1056 231 112 ARG HD3 H 3.131 0.020 1 1057 231 112 ARG HG2 H 1.732 0.020 2 1058 231 112 ARG HG3 H 1.642 0.020 2 1059 231 112 ARG C C 177.852 0.3 1 1060 231 112 ARG CA C 58.632 0.3 1 1061 231 112 ARG CB C 29.698 0.3 1 1062 231 112 ARG CD C 43.227 0.3 1 1063 231 112 ARG CG C 26.999 0.3 1 1064 231 112 ARG N N 122.917 0.3 1 1065 232 113 LEU H H 8.176 0.020 1 1066 232 113 LEU HA H 3.978 0.020 1 1067 232 113 LEU HB2 H 2.182 0.020 2 1068 232 113 LEU HB3 H 1.589 0.020 2 1069 232 113 LEU HD1 H 0.793 0.020 2 1070 232 113 LEU HD2 H 0.892 0.020 2 1071 232 113 LEU HG H 1.419 0.020 1 1072 232 113 LEU C C 177.488 0.3 1 1073 232 113 LEU CA C 58.593 0.3 1 1074 232 113 LEU CB C 41.129 0.3 1 1075 232 113 LEU CD1 C 25.072 0.3 1 1076 232 113 LEU CD2 C 25.178 0.3 1 1077 232 113 LEU CG C 27.588 0.3 1 1078 232 113 LEU N N 125.828 0.3 1 1079 233 114 ILE H H 8.056 0.020 1 1080 233 114 ILE HA H 3.686 0.020 1 1081 233 114 ILE HB H 2.209 0.020 1 1082 233 114 ILE HD1 H 0.712 0.020 1 1083 233 114 ILE HG12 H 1.879 0.020 2 1084 233 114 ILE HG13 H 1.414 0.020 2 1085 233 114 ILE HG2 H 1.008 0.020 1 1086 233 114 ILE C C 177.767 0.3 1 1087 233 114 ILE CA C 62.107 0.3 1 1088 233 114 ILE CB C 35.480 0.3 1 1089 233 114 ILE CD1 C 8.712 0.3 1 1090 233 114 ILE CG1 C 27.530 0.3 1 1091 233 114 ILE CG2 C 17.567 0.3 1 1092 233 114 ILE N N 119.425 0.3 1 1093 234 115 SER H H 8.349 0.020 1 1094 234 115 SER HA H 4.109 0.020 1 1095 234 115 SER HB2 H 3.977 0.020 2 1096 234 115 SER HB3 H 3.937 0.020 2 1097 234 115 SER C C 175.918 0.3 1 1098 234 115 SER CA C 61.368 0.3 1 1099 234 115 SER CB C 62.764 0.3 1 1100 234 115 SER N N 114.544 0.3 1 1101 235 116 SER H H 8.493 0.020 1 1102 235 116 SER HA H 4.620 0.020 1 1103 235 116 SER HB2 H 3.888 0.020 2 1104 235 116 SER HB3 H 3.846 0.020 2 1105 235 116 SER C C 175.107 0.3 1 1106 235 116 SER CA C 59.928 0.3 1 1107 235 116 SER CB C 64.682 0.3 1 1108 235 116 SER N N 115.190 0.3 1 1109 236 117 LYS H H 8.075 0.020 1 1110 236 117 LYS HA H 4.723 0.020 1 1111 236 117 LYS HB2 H 1.970 0.020 1 1112 236 117 LYS HB3 H 1.970 0.020 1 1113 236 117 LYS HD2 H 1.567 0.020 1 1114 236 117 LYS HD3 H 1.567 0.020 1 1115 236 117 LYS HE2 H 2.842 0.020 1 1116 236 117 LYS HE3 H 2.842 0.020 1 1117 236 117 LYS HG2 H 1.426 0.020 1 1118 236 117 LYS HG3 H 1.426 0.020 1 1119 236 117 LYS C C 175.596 0.3 1 1120 236 117 LYS CA C 53.558 0.3 1 1121 236 117 LYS CB C 32.025 0.3 1 1122 236 117 LYS CD C 28.585 0.3 1 1123 236 117 LYS CE C 41.684 0.3 1 1124 236 117 LYS CG C 24.502 0.3 1 1125 236 117 LYS N N 116.142 0.3 1 1126 237 118 MET H H 7.272 0.020 1 1127 237 118 MET HA H 5.149 0.020 1 1128 237 118 MET HB2 H 2.842 0.020 2 1129 237 118 MET HB3 H 2.023 0.020 2 1130 237 118 MET HE H 1.754 0.020 1 1131 237 118 MET HG2 H 2.039 0.020 2 1132 237 118 MET HG3 H 2.023 0.020 2 1133 237 118 MET C C 173.177 0.3 1 1134 237 118 MET CA C 51.212 0.3 1 1135 237 118 MET CB C 31.411 0.3 1 1136 237 118 MET CE C 19.017 0.3 1 1137 237 118 MET CG C 31.505 0.3 1 1138 237 118 MET N N 118.152 0.3 1 1139 238 119 PRO HA H 4.360 0.020 1 1140 238 119 PRO HB2 H 2.069 0.020 2 1141 238 119 PRO HB3 H 1.804 0.020 2 1142 238 119 PRO HD2 H 3.306 0.020 2 1143 238 119 PRO HD3 H 3.098 0.020 2 1144 238 119 PRO HG2 H 1.494 0.020 2 1145 238 119 PRO HG3 H 1.420 0.020 2 1146 238 119 PRO CA C 62.333 0.3 1 1147 238 119 PRO CB C 30.998 0.3 1 1148 238 119 PRO CD C 49.758 0.3 1 1149 238 119 PRO CG C 26.577 0.3 1 1150 239 120 GLY H H 8.729 0.020 1 1151 239 120 GLY HA2 H 3.676 0.020 1 1152 239 120 GLY HA3 H 3.676 0.020 1 1153 239 120 GLY C C 174.639 0.3 1 1154 239 120 GLY CA C 46.662 0.3 1 1155 239 120 GLY N N 109.753 0.3 1 1156 240 121 GLY H H 8.854 0.020 1 1157 240 121 GLY HA2 H 4.283 0.020 2 1158 240 121 GLY HA3 H 3.630 0.020 2 1159 240 121 GLY C C 172.588 0.3 1 1160 240 121 GLY CA C 44.714 0.3 1 1161 240 121 GLY N N 114.838 0.3 1 1162 241 122 PHE H H 8.267 0.020 1 1163 241 122 PHE HA H 4.342 0.020 1 1164 241 122 PHE HB2 H 3.532 0.020 2 1165 241 122 PHE HB3 H 2.483 0.020 2 1166 241 122 PHE HD1 H 7.131 0.020 1 1167 241 122 PHE HD2 H 7.131 0.020 1 1168 241 122 PHE HE1 H 6.933 0.020 1 1169 241 122 PHE HE2 H 6.933 0.020 1 1170 241 122 PHE HZ H 6.634 0.020 1 1171 241 122 PHE C C 172.807 0.3 1 1172 241 122 PHE CA C 57.389 0.3 1 1173 241 122 PHE CB C 38.090 0.3 1 1174 241 122 PHE CD1 C 132.129 0.3 1 1175 241 122 PHE CD2 C 132.129 0.3 1 1176 241 122 PHE CE1 C 130.837 0.3 1 1177 241 122 PHE CE2 C 130.837 0.3 1 1178 241 122 PHE CZ C 127.765 0.3 1 1179 241 122 PHE N N 129.444 0.3 1 1180 242 123 THR H H 6.312 0.020 1 1181 242 123 THR HA H 4.226 0.020 1 1182 242 123 THR HB H 4.680 0.020 1 1183 242 123 THR HG2 H 1.166 0.020 1 1184 242 123 THR C C 174.479 0.3 1 1185 242 123 THR CA C 60.163 0.3 1 1186 242 123 THR CB C 71.564 0.3 1 1187 242 123 THR CG2 C 21.188 0.3 1 1188 242 123 THR N N 111.264 0.3 1 1189 243 124 ILE H H 9.213 0.020 1 1190 243 124 ILE HA H 3.910 0.020 1 1191 243 124 ILE HB H 1.867 0.020 1 1192 243 124 ILE HD1 H 0.868 0.020 1 1193 243 124 ILE HG12 H 1.400 0.020 2 1194 243 124 ILE HG13 H 1.297 0.020 2 1195 243 124 ILE HG2 H 0.982 0.020 1 1196 243 124 ILE C C 175.482 0.3 1 1197 243 124 ILE CA C 63.929 0.3 1 1198 243 124 ILE CB C 37.704 0.3 1 1199 243 124 ILE CD1 C 13.823 0.3 1 1200 243 124 ILE CG1 C 30.097 0.3 1 1201 243 124 ILE CG2 C 17.148 0.3 1 1202 243 124 ILE N N 120.840 0.3 1 1203 244 125 THR H H 7.370 0.020 1 1204 244 125 THR HA H 3.818 0.020 1 1205 244 125 THR HB H 3.899 0.020 1 1206 244 125 THR HG2 H 1.151 0.020 1 1207 244 125 THR C C 175.598 0.3 1 1208 244 125 THR CA C 65.897 0.3 1 1209 244 125 THR CB C 68.071 0.3 1 1210 244 125 THR CG2 C 21.721 0.3 1 1211 244 125 THR N N 118.131 0.3 1 1212 245 126 VAL H H 7.045 0.020 1 1213 245 126 VAL HA H 3.324 0.020 1 1214 245 126 VAL HB H 1.646 0.020 1 1215 245 126 VAL HG1 H 0.931 0.020 2 1216 245 126 VAL HG2 H 0.201 0.020 2 1217 245 126 VAL C C 177.721 0.3 1 1218 245 126 VAL CA C 66.028 0.3 1 1219 245 126 VAL CB C 31.183 0.3 1 1220 245 126 VAL CG1 C 22.001 0.3 1 1221 245 126 VAL CG2 C 20.234 0.3 1 1222 245 126 VAL N N 125.578 0.3 1 1223 246 127 ALA H H 8.292 0.020 1 1224 246 127 ALA HA H 3.808 0.020 1 1225 246 127 ALA HB H 1.433 0.020 1 1226 246 127 ALA C C 178.245 0.3 1 1227 246 127 ALA CA C 54.940 0.3 1 1228 246 127 ALA CB C 17.451 0.3 1 1229 246 127 ALA N N 123.331 0.3 1 1230 247 128 ARG H H 8.438 0.020 1 1231 247 128 ARG HA H 3.547 0.020 1 1232 247 128 ARG HB2 H 1.906 0.020 2 1233 247 128 ARG HB3 H 1.317 0.020 2 1234 247 128 ARG HD2 H 3.196 0.020 2 1235 247 128 ARG HD3 H 2.995 0.020 2 1236 247 128 ARG HE H 6.690 0.020 1 1237 247 128 ARG HG2 H 0.726 0.020 1 1238 247 128 ARG HG3 H 0.726 0.020 1 1239 247 128 ARG C C 177.227 0.3 1 1240 247 128 ARG CA C 61.373 0.3 1 1241 247 128 ARG CB C 30.693 0.3 1 1242 247 128 ARG CD C 42.816 0.3 1 1243 247 128 ARG CG C 25.059 0.3 1 1244 247 128 ARG N N 117.952 0.3 1 1245 247 128 ARG NE N 84.124 0.3 1 1246 248 129 LYS H H 8.057 0.020 1 1247 248 129 LYS HA H 4.049 0.020 1 1248 248 129 LYS HB2 H 1.856 0.020 2 1249 248 129 LYS HB3 H 1.814 0.020 2 1250 248 129 LYS HD2 H 1.625 0.020 1 1251 248 129 LYS HD3 H 1.625 0.020 1 1252 248 129 LYS HE2 H 2.833 0.020 1 1253 248 129 LYS HE3 H 2.833 0.020 1 1254 248 129 LYS HG2 H 1.450 0.020 1 1255 248 129 LYS HG3 H 1.450 0.020 1 1256 248 129 LYS C C 178.390 0.3 1 1257 248 129 LYS CA C 58.245 0.3 1 1258 248 129 LYS CB C 31.341 0.3 1 1259 248 129 LYS CD C 28.446 0.3 1 1260 248 129 LYS CE C 41.531 0.3 1 1261 248 129 LYS CG C 24.504 0.3 1 1262 248 129 LYS N N 119.695 0.3 1 1263 249 130 TYR H H 7.935 0.020 1 1264 249 130 TYR HA H 4.423 0.020 1 1265 249 130 TYR HB2 H 2.881 0.020 2 1266 249 130 TYR HB3 H 2.764 0.020 2 1267 249 130 TYR HD1 H 6.929 0.020 1 1268 249 130 TYR HD2 H 6.929 0.020 1 1269 249 130 TYR HE1 H 6.693 0.020 1 1270 249 130 TYR HE2 H 6.693 0.020 1 1271 249 130 TYR CA C 57.383 0.3 1 1272 249 130 TYR CB C 38.336 0.3 1 1273 249 130 TYR CD1 C 133.110 0.3 1 1274 249 130 TYR CD2 C 133.110 0.3 1 1275 249 130 TYR CE1 C 118.068 0.3 1 1276 249 130 TYR CE2 C 118.068 0.3 1 1277 249 130 TYR N N 120.905 0.3 1 1278 250 131 LEU H H 8.042 0.020 1 1279 250 131 LEU HA H 3.584 0.020 1 1280 250 131 LEU HB2 H 1.449 0.020 2 1281 250 131 LEU HB3 H 1.430 0.020 2 1282 250 131 LEU HD1 H 0.960 0.020 2 1283 250 131 LEU HD2 H 0.768 0.020 2 1284 250 131 LEU HG H 2.326 0.020 1 1285 250 131 LEU CA C 59.884 0.3 1 1286 250 131 LEU CB C 40.797 0.3 1 1287 250 131 LEU CD1 C 23.154 0.3 1 1288 250 131 LEU CD2 C 25.622 0.3 1 1289 250 131 LEU CG C 26.325 0.3 1 1290 250 131 LEU N N 119.023 0.3 1 1291 251 132 GLN H H 8.406 0.020 1 1292 251 132 GLN HA H 4.340 0.020 1 1293 251 132 GLN HB2 H 2.185 0.020 2 1294 251 132 GLN HB3 H 2.030 0.020 2 1295 251 132 GLN HE21 H 7.501 0.020 1 1296 251 132 GLN HE22 H 6.624 0.020 1 1297 251 132 GLN HG2 H 2.124 0.020 1 1298 251 132 GLN HG3 H 2.124 0.020 1 1299 251 132 GLN C C 177.750 0.3 1 1300 251 132 GLN CA C 58.848 0.3 1 1301 251 132 GLN CB C 28.809 0.3 1 1302 251 132 GLN CG C 32.975 0.3 1 1303 251 132 GLN N N 121.326 0.3 1 1304 251 132 GLN NE2 N 113.352 0.3 1 1305 252 133 THR H H 8.495 0.020 1 1306 252 133 THR HA H 3.909 0.020 1 1307 252 133 THR HB H 4.047 0.020 1 1308 252 133 THR HG2 H 1.191 0.020 1 1309 252 133 THR C C 175.075 0.3 1 1310 252 133 THR CA C 64.739 0.3 1 1311 252 133 THR CB C 69.107 0.3 1 1312 252 133 THR CG2 C 21.140 0.3 1 1313 252 133 THR N N 114.123 0.3 1 1314 253 134 ARG H H 8.723 0.020 1 1315 253 134 ARG HA H 3.905 0.020 1 1316 253 134 ARG HB2 H 1.063 0.020 2 1317 253 134 ARG HB3 H 0.781 0.020 2 1318 253 134 ARG HD2 H 2.562 0.020 2 1319 253 134 ARG HD3 H 2.300 0.020 2 1320 253 134 ARG HE H 7.049 0.020 1 1321 253 134 ARG HG2 H 1.104 0.020 2 1322 253 134 ARG HG3 H -0.668 0.020 2 1323 253 134 ARG C C 177.227 0.3 1 1324 253 134 ARG CA C 56.674 0.3 1 1325 253 134 ARG CB C 28.702 0.3 1 1326 253 134 ARG CD C 40.976 0.3 1 1327 253 134 ARG CG C 25.630 0.3 1 1328 253 134 ARG N N 122.980 0.3 1 1329 253 134 ARG NE N 86.606 0.3 1 1330 254 135 TRP H H 6.589 0.020 1 1331 254 135 TRP HA H 4.899 0.020 1 1332 254 135 TRP HB2 H 3.521 0.020 2 1333 254 135 TRP HB3 H 3.178 0.020 2 1334 254 135 TRP HD1 H 6.502 0.020 1 1335 254 135 TRP HE1 H 10.579 0.020 1 1336 254 135 TRP HE3 H 7.640 0.020 1 1337 254 135 TRP HH2 H 7.105 0.020 1 1338 254 135 TRP HZ2 H 7.043 0.020 1 1339 254 135 TRP HZ3 H 7.076 0.020 1 1340 254 135 TRP C C 174.769 0.3 1 1341 254 135 TRP CA C 55.451 0.3 1 1342 254 135 TRP CB C 31.230 0.3 1 1343 254 135 TRP CD1 C 124.239 0.3 1 1344 254 135 TRP CE3 C 121.416 0.3 1 1345 254 135 TRP CH2 C 125.072 0.3 1 1346 254 135 TRP CZ2 C 113.663 0.3 1 1347 254 135 TRP CZ3 C 122.246 0.3 1 1348 254 135 TRP N N 115.000 0.3 1 1349 254 135 TRP NE1 N 129.861 0.3 1 1350 255 136 GLY H H 7.011 0.020 1 1351 255 136 GLY HA2 H 3.972 0.020 1 1352 255 136 GLY HA3 H 3.972 0.020 1 1353 255 136 GLY C C 174.202 0.3 1 1354 255 136 GLY CA C 46.413 0.3 1 1355 255 136 GLY N N 109.719 0.3 1 1356 256 137 LEU H H 7.311 0.020 1 1357 256 137 LEU HA H 4.607 0.020 1 1358 256 137 LEU HB2 H 1.507 0.020 2 1359 256 137 LEU HB3 H 1.030 0.020 2 1360 256 137 LEU HD1 H 0.777 0.020 2 1361 256 137 LEU HD2 H 0.669 0.020 2 1362 256 137 LEU HG H 1.712 0.020 1 1363 256 137 LEU C C 173.490 0.3 1 1364 256 137 LEU CA C 51.870 0.3 1 1365 256 137 LEU CB C 42.165 0.3 1 1366 256 137 LEU CD1 C 22.664 0.3 1 1367 256 137 LEU CD2 C 27.037 0.3 1 1368 256 137 LEU CG C 25.348 0.3 1 1369 256 137 LEU N N 119.595 0.3 1 1370 257 138 PRO HA H 4.697 0.020 1 1371 257 138 PRO HB2 H 2.078 0.020 2 1372 257 138 PRO HB3 H 2.049 0.020 2 1373 257 138 PRO HD2 H 4.369 0.020 2 1374 257 138 PRO HD3 H 3.282 0.020 2 1375 257 138 PRO HG2 H 2.069 0.020 2 1376 257 138 PRO HG3 H 1.987 0.020 2 1377 257 138 PRO CA C 61.256 0.3 1 1378 257 138 PRO CB C 31.097 0.3 1 1379 257 138 PRO CD C 50.652 0.3 1 1380 257 138 PRO CG C 26.455 0.3 1 1381 258 139 SER H H 8.160 0.020 1 1382 258 139 SER HA H 3.507 0.020 1 1383 258 139 SER HB2 H 3.819 0.020 2 1384 258 139 SER HB3 H 3.722 0.020 2 1385 258 139 SER C C 176.093 0.3 1 1386 258 139 SER CA C 63.492 0.3 1 1387 258 139 SER CB C 63.458 0.3 1 1388 258 139 SER N N 114.628 0.3 1 1389 259 140 GLY H H 10.144 0.020 1 1390 259 140 GLY HA2 H 3.790 0.020 1 1391 259 140 GLY HA3 H 3.790 0.020 1 1392 259 140 GLY C C 177.125 0.3 1 1393 259 140 GLY CA C 47.107 0.3 1 1394 259 140 GLY N N 116.801 0.3 1 1395 260 141 ARG H H 7.835 0.020 1 1396 260 141 ARG HA H 4.151 0.020 1 1397 260 141 ARG HB2 H 2.202 0.020 2 1398 260 141 ARG HB3 H 2.036 0.020 2 1399 260 141 ARG HD2 H 3.340 0.020 2 1400 260 141 ARG HD3 H 3.103 0.020 2 1401 260 141 ARG HE H 8.021 0.020 1 1402 260 141 ARG HG2 H 1.916 0.020 2 1403 260 141 ARG HG3 H 1.853 0.020 2 1404 260 141 ARG C C 177.790 0.3 1 1405 260 141 ARG CA C 58.209 0.3 1 1406 260 141 ARG CB C 27.015 0.3 1 1407 260 141 ARG CD C 44.043 0.3 1 1408 260 141 ARG CG C 29.607 0.3 1 1409 260 141 ARG N N 121.415 0.3 1 1410 260 141 ARG NE N 85.490 0.3 1 1411 261 142 GLN H H 8.448 0.020 1 1412 261 142 GLN HA H 3.409 0.020 1 1413 261 142 GLN HB2 H 2.457 0.020 2 1414 261 142 GLN HB3 H 1.627 0.020 2 1415 261 142 GLN HE21 H 8.194 0.020 1 1416 261 142 GLN HE22 H 6.689 0.020 1 1417 261 142 GLN HG2 H 2.089 0.020 1 1418 261 142 GLN HG3 H 2.089 0.020 1 1419 261 142 GLN C C 177.270 0.3 1 1420 261 142 GLN CA C 58.745 0.3 1 1421 261 142 GLN CB C 28.260 0.3 1 1422 261 142 GLN CG C 31.601 0.3 1 1423 261 142 GLN N N 118.991 0.3 1 1424 261 142 GLN NE2 N 112.177 0.3 1 1425 262 143 ASP H H 7.991 0.020 1 1426 262 143 ASP HA H 3.988 0.020 1 1427 262 143 ASP HB2 H 3.445 0.020 2 1428 262 143 ASP HB3 H 2.296 0.020 2 1429 262 143 ASP C C 177.038 0.3 1 1430 262 143 ASP CA C 57.571 0.3 1 1431 262 143 ASP CB C 39.926 0.3 1 1432 262 143 ASP N N 119.394 0.3 1 1433 263 144 GLY H H 7.363 0.020 1 1434 263 144 GLY HA2 H 3.571 0.020 1 1435 263 144 GLY HA3 H 3.571 0.020 1 1436 263 144 GLY C C 173.999 0.3 1 1437 263 144 GLY CA C 47.805 0.3 1 1438 263 144 GLY N N 106.302 0.3 1 1439 264 145 VAL H H 7.676 0.020 1 1440 264 145 VAL HA H 2.982 0.020 1 1441 264 145 VAL HB H 1.767 0.020 1 1442 264 145 VAL HG1 H 0.469 0.020 2 1443 264 145 VAL HG2 H 0.445 0.020 2 1444 264 145 VAL C C 177.270 0.3 1 1445 264 145 VAL CA C 66.577 0.3 1 1446 264 145 VAL CB C 30.176 0.3 1 1447 264 145 VAL CG1 C 21.640 0.3 1 1448 264 145 VAL CG2 C 23.351 0.3 1 1449 264 145 VAL N N 122.983 0.3 1 1450 265 146 LEU H H 8.384 0.020 1 1451 265 146 LEU HA H 3.765 0.020 1 1452 265 146 LEU HB2 H 1.912 0.020 2 1453 265 146 LEU HB3 H 1.311 0.020 2 1454 265 146 LEU HD1 H 0.730 0.020 2 1455 265 146 LEU HD2 H 0.621 0.020 2 1456 265 146 LEU HG H 1.696 0.020 1 1457 265 146 LEU C C 177.602 0.3 1 1458 265 146 LEU CA C 57.301 0.3 1 1459 265 146 LEU CB C 39.998 0.3 1 1460 265 146 LEU CD1 C 25.040 0.3 1 1461 265 146 LEU CD2 C 21.002 0.3 1 1462 265 146 LEU CG C 26.669 0.3 1 1463 265 146 LEU N N 120.148 0.3 1 1464 266 147 LEU H H 8.093 0.020 1 1465 266 147 LEU HA H 4.025 0.020 1 1466 266 147 LEU HB2 H 2.207 0.020 2 1467 266 147 LEU HB3 H 1.325 0.020 2 1468 266 147 LEU HD1 H 0.715 0.020 2 1469 266 147 LEU HD2 H 0.838 0.020 2 1470 266 147 LEU HG H 2.026 0.020 1 1471 266 147 LEU C C 177.834 0.3 1 1472 266 147 LEU CA C 57.369 0.3 1 1473 266 147 LEU CB C 41.193 0.3 1 1474 266 147 LEU CD1 C 21.809 0.3 1 1475 266 147 LEU CD2 C 27.311 0.3 1 1476 266 147 LEU CG C 26.105 0.3 1 1477 266 147 LEU N N 120.319 0.3 1 1478 267 148 VAL H H 7.999 0.020 1 1479 267 148 VAL HA H 3.369 0.020 1 1480 267 148 VAL HB H 2.247 0.020 1 1481 267 148 VAL HG1 H 1.055 0.020 2 1482 267 148 VAL HG2 H 0.902 0.020 2 1483 267 148 VAL C C 179.672 0.3 1 1484 267 148 VAL CA C 67.225 0.3 1 1485 267 148 VAL CB C 30.790 0.3 1 1486 267 148 VAL CG1 C 24.419 0.3 1 1487 267 148 VAL CG2 C 21.699 0.3 1 1488 267 148 VAL N N 122.067 0.3 1 1489 268 149 ALA H H 8.963 0.020 1 1490 268 149 ALA HA H 4.198 0.020 1 1491 268 149 ALA HB H 1.431 0.020 1 1492 268 149 ALA C C 178.152 0.3 1 1493 268 149 ALA CA C 54.925 0.3 1 1494 268 149 ALA CB C 17.484 0.3 1 1495 268 149 ALA N N 126.721 0.3 1 1496 269 150 LEU H H 8.052 0.020 1 1497 269 150 LEU HA H 3.985 0.020 1 1498 269 150 LEU HB2 H 2.053 0.020 2 1499 269 150 LEU HB3 H 1.559 0.020 2 1500 269 150 LEU HD1 H 0.539 0.020 2 1501 269 150 LEU HD2 H 0.487 0.020 2 1502 269 150 LEU HG H 1.323 0.020 1 1503 269 150 LEU C C 178.022 0.3 1 1504 269 150 LEU CA C 57.498 0.3 1 1505 269 150 LEU CB C 41.187 0.3 1 1506 269 150 LEU CD1 C 24.409 0.3 1 1507 269 150 LEU CD2 C 25.038 0.3 1 1508 269 150 LEU CG C 26.449 0.3 1 1509 269 150 LEU N N 119.566 0.3 1 1510 270 151 SER H H 7.851 0.020 1 1511 270 151 SER HA H 4.335 0.020 1 1512 270 151 SER HB2 H 3.954 0.020 1 1513 270 151 SER HB3 H 3.954 0.020 1 1514 270 151 SER HG H 5.555 0.020 1 1515 270 151 SER C C 172.666 0.3 1 1516 270 151 SER CA C 60.129 0.3 1 1517 270 151 SER CB C 63.165 0.3 1 1518 270 151 SER N N 113.837 0.3 1 1519 271 152 ASN H H 7.692 0.020 1 1520 271 152 ASN HA H 4.979 0.020 1 1521 271 152 ASN HB2 H 3.017 0.020 2 1522 271 152 ASN HB3 H 2.862 0.020 2 1523 271 152 ASN HD21 H 7.079 0.020 1 1524 271 152 ASN HD22 H 6.805 0.020 1 1525 271 152 ASN C C 172.941 0.3 1 1526 271 152 ASN CA C 52.341 0.3 1 1527 271 152 ASN CB C 40.270 0.3 1 1528 271 152 ASN N N 123.898 0.3 1 1529 271 152 ASN ND2 N 117.418 0.3 1 1530 272 153 GLU H H 7.197 0.020 1 1531 272 153 GLU HA H 4.011 0.020 1 1532 272 153 GLU HB2 H 2.443 0.020 2 1533 272 153 GLU HB3 H 1.859 0.020 2 1534 272 153 GLU HG2 H 2.276 0.020 2 1535 272 153 GLU HG3 H 1.952 0.020 2 1536 272 153 GLU C C 173.983 0.3 1 1537 272 153 GLU CA C 55.340 0.3 1 1538 272 153 GLU CB C 29.714 0.3 1 1539 272 153 GLU CG C 34.986 0.3 1 1540 272 153 GLU N N 122.570 0.3 1 1541 273 154 PRO HA H 4.314 0.020 1 1542 273 154 PRO HB2 H 2.211 0.020 2 1543 273 154 PRO HB3 H 1.841 0.020 2 1544 273 154 PRO HD2 H 3.660 0.020 2 1545 273 154 PRO HD3 H 2.880 0.020 2 1546 273 154 PRO HG2 H 1.182 0.020 1 1547 273 154 PRO HG3 H 1.182 0.020 1 1548 273 154 PRO CA C 62.199 0.3 1 1549 273 154 PRO CB C 31.869 0.3 1 1550 273 154 PRO CD C 50.611 0.3 1 1551 273 154 PRO CG C 26.588 0.3 1 1552 274 155 ALA H H 8.656 0.020 1 1553 274 155 ALA HA H 3.957 0.020 1 1554 274 155 ALA HB H 1.349 0.020 1 1555 274 155 ALA C C 176.218 0.3 1 1556 274 155 ALA CA C 54.050 0.3 1 1557 274 155 ALA CB C 18.364 0.3 1 1558 274 155 ALA N N 126.048 0.3 1 1559 275 156 ALA H H 7.556 0.020 1 1560 275 156 ALA HA H 4.440 0.020 1 1561 275 156 ALA HB H 1.231 0.020 1 1562 275 156 ALA C C 174.634 0.3 1 1563 275 156 ALA CA C 49.128 0.3 1 1564 275 156 ALA CB C 21.401 0.3 1 1565 275 156 ALA N N 118.941 0.3 1 1566 276 157 ARG H H 8.289 0.020 1 1567 276 157 ARG HA H 4.749 0.020 1 1568 276 157 ARG HB2 H 2.442 0.020 2 1569 276 157 ARG HB3 H 1.866 0.020 2 1570 276 157 ARG HD2 H 3.194 0.020 2 1571 276 157 ARG HD3 H 2.928 0.020 2 1572 276 157 ARG HE H 7.219 0.020 1 1573 276 157 ARG HG2 H 0.959 0.020 1 1574 276 157 ARG HG3 H 0.959 0.020 1 1575 276 157 ARG C C 175.998 0.3 1 1576 276 157 ARG CA C 56.749 0.3 1 1577 276 157 ARG CB C 29.635 0.3 1 1578 276 157 ARG CD C 43.285 0.3 1 1579 276 157 ARG CG C 25.690 0.3 1 1580 276 157 ARG N N 121.025 0.3 1 1581 276 157 ARG NE N 83.089 0.3 1 1582 277 158 LEU H H 8.344 0.020 1 1583 277 158 LEU HA H 4.157 0.020 1 1584 277 158 LEU HB2 H 1.649 0.020 2 1585 277 158 LEU HB3 H 1.094 0.020 2 1586 277 158 LEU HD1 H 0.720 0.020 2 1587 277 158 LEU HD2 H 0.519 0.020 2 1588 277 158 LEU HG H 1.415 0.020 1 1589 277 158 LEU C C 177.677 0.3 1 1590 277 158 LEU CA C 54.714 0.3 1 1591 277 158 LEU CB C 42.152 0.3 1 1592 277 158 LEU CD1 C 22.249 0.3 1 1593 277 158 LEU CD2 C 25.824 0.3 1 1594 277 158 LEU CG C 27.438 0.3 1 1595 277 158 LEU N N 129.936 0.3 1 1596 278 159 GLY H H 8.719 0.020 1 1597 278 159 GLY HA2 H 3.779 0.020 1 1598 278 159 GLY HA3 H 3.779 0.020 1 1599 278 159 GLY C C 173.326 0.3 1 1600 278 159 GLY CA C 46.721 0.3 1 1601 278 159 GLY N N 108.372 0.3 1 1602 279 160 SER H H 7.588 0.020 1 1603 279 160 SER HA H 4.770 0.020 1 1604 279 160 SER HB2 H 4.161 0.020 2 1605 279 160 SER HB3 H 4.136 0.020 2 1606 279 160 SER C C 173.868 0.3 1 1607 279 160 SER CA C 56.195 0.3 1 1608 279 160 SER CB C 66.667 0.3 1 1609 279 160 SER N N 111.924 0.3 1 1610 280 161 GLU H H 7.278 0.020 1 1611 280 161 GLU HA H 3.687 0.020 1 1612 280 161 GLU HB3 H 2.027 0.020 2 1613 280 161 GLU HG2 H 3.042 0.020 2 1614 280 161 GLU HG3 H 2.529 0.020 2 1615 280 161 GLU C C 175.681 0.3 1 1616 280 161 GLU CA C 62.138 0.3 1 1617 280 161 GLU CB C 31.455 0.3 1 1618 280 161 GLU CG C 35.935 0.3 1 1619 280 161 GLU N N 118.199 0.3 1 1620 281 162 ALA H H 8.375 0.020 1 1621 281 162 ALA HA H 3.958 0.020 1 1622 281 162 ALA HB H 1.356 0.020 1 1623 281 162 ALA C C 180.169 0.3 1 1624 281 162 ALA CA C 55.133 0.3 1 1625 281 162 ALA CB C 17.633 0.3 1 1626 281 162 ALA N N 122.719 0.3 1 1627 282 163 ASP H H 7.796 0.020 1 1628 282 163 ASP HA H 4.389 0.020 1 1629 282 163 ASP HB2 H 2.664 0.020 1 1630 282 163 ASP HB3 H 2.664 0.020 1 1631 282 163 ASP C C 178.203 0.3 1 1632 282 163 ASP CA C 56.715 0.3 1 1633 282 163 ASP CB C 40.716 0.3 1 1634 282 163 ASP N N 120.686 0.3 1 1635 283 164 ALA H H 7.822 0.020 1 1636 283 164 ALA HA H 3.890 0.020 1 1637 283 164 ALA HB H 0.519 0.020 1 1638 283 164 ALA C C 177.993 0.3 1 1639 283 164 ALA CA C 54.785 0.3 1 1640 283 164 ALA CB C 16.935 0.3 1 1641 283 164 ALA N N 125.848 0.3 1 1642 284 165 LYS H H 8.184 0.020 1 1643 284 165 LYS HA H 3.424 0.020 1 1644 284 165 LYS HB2 H 1.701 0.020 2 1645 284 165 LYS HB3 H 1.563 0.020 2 1646 284 165 LYS HD2 H 1.450 0.020 1 1647 284 165 LYS HD3 H 1.450 0.020 1 1648 284 165 LYS HE2 H 2.679 0.020 1 1649 284 165 LYS HE3 H 2.679 0.020 1 1650 284 165 LYS HG2 H 1.252 0.020 2 1651 284 165 LYS HG3 H -0.139 0.020 2 1652 284 165 LYS C C 176.600 0.3 1 1653 284 165 LYS CA C 60.378 0.3 1 1654 284 165 LYS CB C 31.921 0.3 1 1655 284 165 LYS CD C 29.735 0.3 1 1656 284 165 LYS CE C 41.779 0.3 1 1657 284 165 LYS CG C 26.396 0.3 1 1658 284 165 LYS N N 119.873 0.3 1 1659 285 166 ALA H H 7.831 0.020 1 1660 285 166 ALA HA H 4.213 0.020 1 1661 285 166 ALA HB H 1.537 0.020 1 1662 285 166 ALA C C 180.350 0.3 1 1663 285 166 ALA CA C 54.907 0.3 1 1664 285 166 ALA CB C 17.605 0.3 1 1665 285 166 ALA N N 121.561 0.3 1 1666 286 167 PHE H H 7.998 0.020 1 1667 286 167 PHE HA H 4.494 0.020 1 1668 286 167 PHE HB2 H 3.288 0.020 2 1669 286 167 PHE HB3 H 3.163 0.020 2 1670 286 167 PHE HD1 H 7.177 0.020 1 1671 286 167 PHE HD2 H 7.177 0.020 1 1672 286 167 PHE HE1 H 7.165 0.020 1 1673 286 167 PHE HE2 H 7.165 0.020 1 1674 286 167 PHE HZ H 7.267 0.020 1 1675 286 167 PHE C C 176.759 0.3 1 1676 286 167 PHE CA C 60.228 0.3 1 1677 286 167 PHE CB C 38.742 0.3 1 1678 286 167 PHE CD1 C 131.902 0.3 1 1679 286 167 PHE CD2 C 131.902 0.3 1 1680 286 167 PHE CE1 C 131.306 0.3 1 1681 286 167 PHE CE2 C 131.306 0.3 1 1682 286 167 PHE CZ C 130.435 0.3 1 1683 286 167 PHE N N 121.773 0.3 1 1684 287 168 LEU H H 8.415 0.020 1 1685 287 168 LEU HA H 3.606 0.020 1 1686 287 168 LEU HB2 H 2.355 0.020 2 1687 287 168 LEU HB3 H 1.455 0.020 2 1688 287 168 LEU HD1 H 0.727 0.020 2 1689 287 168 LEU HD2 H 1.180 0.020 2 1690 287 168 LEU HG H 2.096 0.020 1 1691 287 168 LEU C C 177.687 0.3 1 1692 287 168 LEU CA C 58.095 0.3 1 1693 287 168 LEU CB C 40.724 0.3 1 1694 287 168 LEU CD1 C 21.021 0.3 1 1695 287 168 LEU CD2 C 26.828 0.3 1 1696 287 168 LEU CG C 26.821 0.3 1 1697 287 168 LEU N N 121.434 0.3 1 1698 288 169 ASP H H 9.233 0.020 1 1699 288 169 ASP HA H 4.473 0.020 1 1700 288 169 ASP HB2 H 3.239 0.020 2 1701 288 169 ASP HB3 H 2.942 0.020 2 1702 288 169 ASP C C 177.705 0.3 1 1703 288 169 ASP CA C 57.242 0.3 1 1704 288 169 ASP CB C 40.019 0.3 1 1705 288 169 ASP N N 122.424 0.3 1 1706 289 170 SER H H 7.775 0.020 1 1707 289 170 SER HA H 4.128 0.020 1 1708 289 170 SER HB2 H 3.983 0.020 2 1709 289 170 SER HB3 H 3.929 0.020 2 1710 289 170 SER C C 177.071 0.3 1 1711 289 170 SER CA C 60.793 0.3 1 1712 289 170 SER CB C 62.455 0.3 1 1713 289 170 SER N N 116.400 0.3 1 1714 290 171 MET H H 8.188 0.020 1 1715 290 171 MET HA H 4.380 0.020 1 1716 290 171 MET HB2 H 1.714 0.020 1 1717 290 171 MET HB3 H 1.714 0.020 1 1718 290 171 MET HE H 1.733 0.020 1 1719 290 171 MET HG2 H 1.765 0.020 2 1720 290 171 MET HG3 H 1.434 0.020 2 1721 290 171 MET C C 177.268 0.3 1 1722 290 171 MET CA C 55.681 0.3 1 1723 290 171 MET CB C 32.843 0.3 1 1724 290 171 MET CE C 19.753 0.3 1 1725 290 171 MET CG C 35.553 0.3 1 1726 290 171 MET N N 121.848 0.3 1 1727 291 172 ALA H H 8.789 0.020 1 1728 291 172 ALA HA H 3.736 0.020 1 1729 291 172 ALA HB H 0.455 0.020 1 1730 291 172 ALA C C 178.116 0.3 1 1731 291 172 ALA CA C 55.105 0.3 1 1732 291 172 ALA CB C 15.033 0.3 1 1733 291 172 ALA N N 126.105 0.3 1 1734 292 173 GLN H H 7.250 0.020 1 1735 292 173 GLN HA H 3.762 0.020 1 1736 292 173 GLN HB2 H 2.046 0.020 2 1737 292 173 GLN HB3 H 1.952 0.020 2 1738 292 173 GLN HE21 H 6.784 0.020 1 1739 292 173 GLN HE22 H 6.596 0.020 1 1740 292 173 GLN HG2 H 2.211 0.020 2 1741 292 173 GLN HG3 H 2.111 0.020 2 1742 292 173 GLN C C 178.282 0.3 1 1743 292 173 GLN CA C 58.187 0.3 1 1744 292 173 GLN CB C 27.888 0.3 1 1745 292 173 GLN CG C 33.590 0.3 1 1746 292 173 GLN N N 116.592 0.3 1 1747 292 173 GLN NE2 N 112.823 0.3 1 1748 293 174 LYS H H 8.000 0.020 1 1749 293 174 LYS HA H 4.045 0.020 1 1750 293 174 LYS HB2 H 1.862 0.020 2 1751 293 174 LYS HB3 H 1.753 0.020 2 1752 293 174 LYS HD2 H 1.541 0.020 1 1753 293 174 LYS HD3 H 1.541 0.020 1 1754 293 174 LYS HE2 H 2.825 0.020 1 1755 293 174 LYS HE3 H 2.825 0.020 1 1756 293 174 LYS HG2 H 1.432 0.020 2 1757 293 174 LYS HG3 H 1.378 0.020 2 1758 293 174 LYS C C 178.678 0.3 1 1759 293 174 LYS CA C 58.981 0.3 1 1760 293 174 LYS CB C 32.109 0.3 1 1761 293 174 LYS CD C 28.612 0.3 1 1762 293 174 LYS CE C 41.612 0.3 1 1763 293 174 LYS CG C 24.902 0.3 1 1764 293 174 LYS N N 122.808 0.3 1 1765 294 175 TYR H H 8.813 0.020 1 1766 294 175 TYR HA H 3.922 0.020 1 1767 294 175 TYR HB2 H 3.129 0.020 2 1768 294 175 TYR HB3 H 2.842 0.020 2 1769 294 175 TYR HD1 H 6.674 0.020 1 1770 294 175 TYR HD2 H 6.674 0.020 1 1771 294 175 TYR HE1 H 6.459 0.020 1 1772 294 175 TYR HE2 H 6.459 0.020 1 1773 294 175 TYR C C 174.937 0.3 1 1774 294 175 TYR CA C 61.169 0.3 1 1775 294 175 TYR CB C 38.262 0.3 1 1776 294 175 TYR CD1 C 132.842 0.3 1 1777 294 175 TYR CD2 C 132.842 0.3 1 1778 294 175 TYR CE1 C 118.079 0.3 1 1779 294 175 TYR CE2 C 118.079 0.3 1 1780 294 175 TYR N N 121.724 0.3 1 1781 295 176 ALA H H 8.332 0.020 1 1782 295 176 ALA HA H 3.504 0.020 1 1783 295 176 ALA HB H 1.514 0.020 1 1784 295 176 ALA C C 178.851 0.3 1 1785 295 176 ALA CA C 55.170 0.3 1 1786 295 176 ALA CB C 17.386 0.3 1 1787 295 176 ALA N N 123.329 0.3 1 1788 296 177 SER H H 7.517 0.020 1 1789 296 177 SER HA H 4.239 0.020 1 1790 296 177 SER HB2 H 3.954 0.020 1 1791 296 177 SER HB3 H 3.954 0.020 1 1792 296 177 SER C C 175.473 0.3 1 1793 296 177 SER CA C 60.458 0.3 1 1794 296 177 SER CB C 62.980 0.3 1 1795 296 177 SER N N 112.892 0.3 1 1796 297 178 ILE H H 7.651 0.020 1 1797 297 178 ILE HA H 3.708 0.020 1 1798 297 178 ILE HB H 1.789 0.020 1 1799 297 178 ILE HD1 H 0.694 0.020 1 1800 297 178 ILE HG12 H 1.720 0.020 2 1801 297 178 ILE HG13 H 0.948 0.020 2 1802 297 178 ILE HG2 H 0.789 0.020 1 1803 297 178 ILE C C 177.705 0.3 1 1804 297 178 ILE CA C 64.750 0.3 1 1805 297 178 ILE CB C 38.308 0.3 1 1806 297 178 ILE CD1 C 14.268 0.3 1 1807 297 178 ILE CG1 C 28.477 0.3 1 1808 297 178 ILE CG2 C 16.348 0.3 1 1809 297 178 ILE N N 124.259 0.3 1 1810 298 179 VAL H H 7.569 0.020 1 1811 298 179 VAL HA H 4.206 0.020 1 1812 298 179 VAL HB H 2.204 0.020 1 1813 298 179 VAL HG1 H 0.642 0.020 2 1814 298 179 VAL HG2 H 0.320 0.020 2 1815 298 179 VAL C C 176.080 0.3 1 1816 298 179 VAL CA C 61.677 0.3 1 1817 298 179 VAL CB C 31.178 0.3 1 1818 298 179 VAL CG1 C 20.847 0.3 1 1819 298 179 VAL CG2 C 18.302 0.3 1 1820 298 179 VAL N N 111.280 0.3 1 1821 299 180 GLY H H 7.665 0.020 1 1822 299 180 GLY HA2 H 3.894 0.020 2 1823 299 180 GLY HA3 H 3.797 0.020 2 1824 299 180 GLY C C 173.750 0.3 1 1825 299 180 GLY CA C 46.832 0.3 1 1826 299 180 GLY N N 113.075 0.3 1 1827 300 181 VAL H H 7.758 0.020 1 1828 300 181 VAL HA H 4.392 0.020 1 1829 300 181 VAL HB H 1.789 0.020 1 1830 300 181 VAL HG1 H 0.734 0.020 2 1831 300 181 VAL HG2 H 0.715 0.020 2 1832 300 181 VAL C C 172.767 0.3 1 1833 300 181 VAL CA C 59.259 0.3 1 1834 300 181 VAL CB C 34.330 0.3 1 1835 300 181 VAL CG1 C 20.631 0.3 1 1836 300 181 VAL CG2 C 20.041 0.3 1 1837 300 181 VAL N N 118.455 0.3 1 1838 301 182 ASP H H 8.217 0.020 1 1839 301 182 ASP HA H 4.693 0.020 1 1840 301 182 ASP HB2 H 2.613 0.020 2 1841 301 182 ASP HB3 H 2.454 0.020 2 1842 301 182 ASP C C 173.679 0.3 1 1843 301 182 ASP CA C 53.513 0.3 1 1844 301 182 ASP CB C 41.033 0.3 1 1845 301 182 ASP N N 126.087 0.3 1 1846 302 183 LEU H H 7.910 0.020 1 1847 302 183 LEU HA H 4.301 0.020 1 1848 302 183 LEU HB2 H 1.762 0.020 2 1849 302 183 LEU HB3 H 1.486 0.020 2 1850 302 183 LEU HD1 H 0.752 0.020 2 1851 302 183 LEU HD2 H 0.569 0.020 2 1852 302 183 LEU HG H 1.506 0.020 1 1853 302 183 LEU C C 181.357 0.3 1 1854 302 183 LEU CA C 55.872 0.3 1 1855 302 183 LEU CB C 43.456 0.3 1 1856 302 183 LEU CD1 C 23.584 0.3 1 1857 302 183 LEU CD2 C 25.266 0.3 1 1858 302 183 LEU CG C 26.712 0.3 1 1859 302 183 LEU N N 130.273 0.3 1 stop_ save_