data_30570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae ; _BMRB_accession_number 30570 _BMRB_flat_file_name bmr30570.str _Entry_type original _Submission_date 2019-02-12 _Accession_date 2019-02-12 _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 Bragantini B. . . 2 Quinternet M. . . 3 Charpentier B. . . 4 Manival X. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1163 "13C chemical shifts" 824 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-14 original BMRB . stop_ _Original_release_date 2019-02-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Box C/D protein 1 and the histone chaperone Rtt106 are components of pre-snoRNPs through direct interaction ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bragantini B. . . 2 Terral G. . . 3 Tiotiu D. . . 4 Charron C. . . 5 Bourguet M. . . 6 Rothe B. . . 7 Paul A. . . 8 Marty H. . . 9 Labialle S. . . 10 Quinternet M. . . 11 Cianferani S. . . 12 Manival X. . . 13 Charpentier B. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Box C/D snoRNA protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 21864.262 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; GPHMRDSTECQRIIRRGVNC LMLPKGMQRSSQNRSKWDKT MDLFVWSVEWILCPMQEKGE KKELFKHVSHRIKETDFLVQ GMGKNVFQKCCEFYRLAGTS SCIEGEDGSETKEERTQILQ KSGLKFYTKTFPYNTTHIMD SKKLVELAIHEKCIGELLKN TTVIEFPTIFVAMTEADLPE GYEVLHQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 116 GLY 2 117 PRO 3 118 HIS 4 119 MET 5 120 ARG 6 121 ASP 7 122 SER 8 123 THR 9 124 GLU 10 125 CYS 11 126 GLN 12 127 ARG 13 128 ILE 14 129 ILE 15 130 ARG 16 131 ARG 17 132 GLY 18 133 VAL 19 134 ASN 20 135 CYS 21 136 LEU 22 137 MET 23 138 LEU 24 139 PRO 25 140 LYS 26 141 GLY 27 142 MET 28 143 GLN 29 144 ARG 30 145 SER 31 146 SER 32 147 GLN 33 148 ASN 34 149 ARG 35 150 SER 36 151 LYS 37 152 TRP 38 153 ASP 39 154 LYS 40 155 THR 41 156 MET 42 157 ASP 43 158 LEU 44 159 PHE 45 160 VAL 46 161 TRP 47 162 SER 48 163 VAL 49 164 GLU 50 165 TRP 51 166 ILE 52 167 LEU 53 168 CYS 54 169 PRO 55 170 MET 56 171 GLN 57 172 GLU 58 173 LYS 59 174 GLY 60 175 GLU 61 176 LYS 62 177 LYS 63 178 GLU 64 179 LEU 65 180 PHE 66 181 LYS 67 182 HIS 68 183 VAL 69 184 SER 70 185 HIS 71 186 ARG 72 187 ILE 73 188 LYS 74 189 GLU 75 190 THR 76 191 ASP 77 192 PHE 78 193 LEU 79 194 VAL 80 195 GLN 81 196 GLY 82 197 MET 83 198 GLY 84 199 LYS 85 200 ASN 86 201 VAL 87 202 PHE 88 203 GLN 89 204 LYS 90 205 CYS 91 206 CYS 92 207 GLU 93 208 PHE 94 209 TYR 95 210 ARG 96 211 LEU 97 212 ALA 98 213 GLY 99 214 THR 100 215 SER 101 216 SER 102 217 CYS 103 218 ILE 104 219 GLU 105 220 GLY 106 221 GLU 107 222 ASP 108 223 GLY 109 224 SER 110 225 GLU 111 226 THR 112 227 LYS 113 228 GLU 114 229 GLU 115 230 ARG 116 231 THR 117 232 GLN 118 233 ILE 119 234 LEU 120 235 GLN 121 236 LYS 122 237 SER 123 238 GLY 124 239 LEU 125 240 LYS 126 241 PHE 127 242 TYR 128 243 THR 129 244 LYS 130 245 THR 131 246 PHE 132 247 PRO 133 248 TYR 134 249 ASN 135 250 THR 136 251 THR 137 252 HIS 138 253 ILE 139 254 MET 140 255 ASP 141 256 SER 142 257 LYS 143 258 LYS 144 259 LEU 145 260 VAL 146 261 GLU 147 262 LEU 148 263 ALA 149 264 ILE 150 265 HIS 151 266 GLU 152 267 LYS 153 268 CYS 154 269 ILE 155 270 GLY 156 271 GLU 157 272 LEU 158 273 LEU 159 274 LYS 160 275 ASN 161 276 THR 162 277 THR 163 278 VAL 164 279 ILE 165 280 GLU 166 281 PHE 167 282 PRO 168 283 THR 169 284 ILE 170 285 PHE 171 286 VAL 172 287 ALA 173 288 MET 174 289 THR 175 290 GLU 176 291 ALA 177 292 ASP 178 293 LEU 179 294 PRO 180 295 GLU 181 296 GLY 182 297 TYR 183 298 GLU 184 299 VAL 185 300 LEU 186 301 HIS 187 302 GLN 188 303 GLU 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 _Strain _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'BCD1, YHR040W' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C; U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-13C; U-15N; U-2H] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'filamentous virus' _Details ; 1 mM [U-15N] Box C/D snoRNA protein 1, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 12 mg/mL Pf1 phage, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM [U-15N] 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' 'Pf1 phage' 12 mg/mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 950 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_CCCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCONH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNCO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HNCACB_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D CCCONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D HNHA' '3D HCCH-COSY' '3D HNCO' '3D HNCACO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 117 2 PRO HA H 4.379 0.020 1 2 117 2 PRO HB2 H 1.771 0.020 1 3 117 2 PRO HB3 H 2.195 0.020 1 4 117 2 PRO HG2 H 1.852 0.020 1 5 117 2 PRO HG3 H 1.934 0.020 1 6 117 2 PRO HD2 H 3.490 0.020 2 7 117 2 PRO HD3 H 3.490 0.020 2 8 117 2 PRO CA C 62.300 0.300 1 9 117 2 PRO CB C 31.559 0.300 1 10 117 2 PRO CG C 26.188 0.300 1 11 117 2 PRO CD C 48.912 0.300 1 12 118 3 HIS H H 8.478 0.020 1 13 118 3 HIS HA H 4.596 0.020 1 14 118 3 HIS HB2 H 3.069 0.020 1 15 118 3 HIS HB3 H 3.125 0.020 1 16 118 3 HIS C C 175.063 0.300 1 17 118 3 HIS CA C 55.065 0.300 1 18 118 3 HIS CB C 29.178 0.300 1 19 118 3 HIS N N 120.227 0.300 1 20 119 4 MET H H 8.302 0.020 1 21 119 4 MET HA H 4.395 0.020 1 22 119 4 MET HB2 H 1.918 0.020 1 23 119 4 MET HB3 H 1.999 0.020 1 24 119 4 MET HG2 H 2.430 0.020 1 25 119 4 MET HG3 H 2.496 0.020 1 26 119 4 MET C C 176.057 0.300 1 27 119 4 MET CA C 54.834 0.300 1 28 119 4 MET CB C 32.295 0.300 1 29 119 4 MET CG C 31.197 0.300 1 30 119 4 MET N N 123.063 0.300 1 31 120 5 ARG H H 8.419 0.020 1 32 120 5 ARG HA H 4.250 0.020 1 33 120 5 ARG HB2 H 1.710 0.020 1 34 120 5 ARG HB3 H 1.781 0.020 1 35 120 5 ARG HG2 H 1.558 0.020 2 36 120 5 ARG HG3 H 1.558 0.020 2 37 120 5 ARG HD2 H 3.124 0.020 2 38 120 5 ARG HD3 H 3.124 0.020 2 39 120 5 ARG C C 176.068 0.300 1 40 120 5 ARG CA C 55.563 0.300 1 41 120 5 ARG CB C 30.108 0.300 1 42 120 5 ARG CG C 26.369 0.300 1 43 120 5 ARG CD C 42.645 0.300 1 44 120 5 ARG N N 122.774 0.300 1 45 121 6 ASP H H 8.338 0.020 1 46 121 6 ASP HA H 4.567 0.020 1 47 121 6 ASP HB2 H 2.610 0.020 1 48 121 6 ASP HB3 H 2.674 0.020 1 49 121 6 ASP C C 176.474 0.300 1 50 121 6 ASP CA C 53.647 0.300 1 51 121 6 ASP CB C 40.587 0.300 1 52 121 6 ASP N N 122.180 0.300 1 53 122 7 SER H H 8.247 0.020 1 54 122 7 SER HA H 4.430 0.020 1 55 122 7 SER HB2 H 3.797 0.020 1 56 122 7 SER HB3 H 3.893 0.020 1 57 122 7 SER C C 174.988 0.300 1 58 122 7 SER CA C 57.992 0.300 1 59 122 7 SER CB C 63.053 0.300 1 60 122 7 SER N N 116.934 0.300 1 61 123 8 THR H H 8.243 0.020 1 62 123 8 THR HA H 4.279 0.020 1 63 123 8 THR HB H 4.219 0.020 1 64 123 8 THR HG2 H 1.148 0.020 1 65 123 8 THR C C 174.475 0.300 1 66 123 8 THR CA C 61.623 0.300 1 67 123 8 THR CB C 68.918 0.300 1 68 123 8 THR CG2 C 21.039 0.300 1 69 123 8 THR N N 116.123 0.300 1 70 124 9 GLU H H 8.167 0.020 1 71 124 9 GLU HA H 4.253 0.020 1 72 124 9 GLU HB2 H 1.864 0.020 1 73 124 9 GLU HB3 H 1.999 0.020 1 74 124 9 GLU HG2 H 2.185 0.020 2 75 124 9 GLU HG3 H 2.185 0.020 2 76 124 9 GLU C C 176.025 0.300 1 77 124 9 GLU CA C 55.698 0.300 1 78 124 9 GLU CB C 29.745 0.300 1 79 124 9 GLU CG C 36.062 0.300 1 80 124 9 GLU N N 124.059 0.300 1 81 125 10 CYS H H 8.216 0.020 1 82 125 10 CYS HA H 4.667 0.020 1 83 125 10 CYS HB2 H 2.735 0.020 1 84 125 10 CYS HB3 H 2.842 0.020 1 85 125 10 CYS C C 174.198 0.300 1 86 125 10 CYS CA C 56.998 0.300 1 87 125 10 CYS CB C 28.673 0.300 1 88 125 10 CYS N N 119.685 0.300 1 89 126 11 GLN H H 8.353 0.020 1 90 126 11 GLN HA H 4.418 0.020 1 91 126 11 GLN HB2 H 1.830 0.020 1 92 126 11 GLN HB3 H 2.007 0.020 1 93 126 11 GLN HG2 H 2.223 0.020 1 94 126 11 GLN HG3 H 2.296 0.020 1 95 126 11 GLN HE21 H 6.738 0.020 1 96 126 11 GLN HE22 H 7.416 0.020 1 97 126 11 GLN C C 174.443 0.300 1 98 126 11 GLN CA C 54.631 0.300 1 99 126 11 GLN CB C 29.798 0.300 1 100 126 11 GLN CG C 33.242 0.300 1 101 126 11 GLN N N 122.293 0.300 1 102 126 11 GLN NE2 N 112.671 0.300 1 103 127 12 ARG H H 8.340 0.020 1 104 127 12 ARG HA H 5.015 0.020 1 105 127 12 ARG HB2 H 1.450 0.020 1 106 127 12 ARG HB3 H 1.653 0.020 1 107 127 12 ARG HG2 H 1.254 0.020 1 108 127 12 ARG HG3 H 1.343 0.020 1 109 127 12 ARG HD2 H 2.938 0.020 1 110 127 12 ARG HD3 H 2.995 0.020 1 111 127 12 ARG HE H 7.177 0.020 1 112 127 12 ARG C C 175.309 0.300 1 113 127 12 ARG CA C 54.422 0.300 1 114 127 12 ARG CB C 31.360 0.300 1 115 127 12 ARG CG C 26.301 0.300 1 116 127 12 ARG CD C 42.706 0.300 1 117 127 12 ARG N N 123.515 0.300 1 118 127 12 ARG NE N 110.862 0.300 1 119 128 13 ILE H H 8.893 0.020 1 120 128 13 ILE HA H 4.416 0.020 1 121 128 13 ILE HB H 1.723 0.020 1 122 128 13 ILE HG12 H 1.042 0.020 1 123 128 13 ILE HG13 H 1.324 0.020 1 124 128 13 ILE HG2 H 0.802 0.020 1 125 128 13 ILE HD1 H 0.807 0.020 1 126 128 13 ILE C C 173.888 0.300 1 127 128 13 ILE CA C 58.960 0.300 1 128 128 13 ILE CB C 40.940 0.300 1 129 128 13 ILE CG1 C 26.437 0.300 1 130 128 13 ILE CG2 C 16.639 0.300 1 131 128 13 ILE CD1 C 12.563 0.300 1 132 128 13 ILE N N 124.829 0.300 1 133 129 14 ILE H H 8.456 0.020 1 134 129 14 ILE HA H 4.922 0.020 1 135 129 14 ILE HB H 1.697 0.020 1 136 129 14 ILE HG12 H 1.052 0.020 1 137 129 14 ILE HG13 H 1.383 0.020 1 138 129 14 ILE HG2 H 0.642 0.020 1 139 129 14 ILE HD1 H 0.698 0.020 1 140 129 14 ILE C C 176.848 0.300 1 141 129 14 ILE CA C 59.191 0.300 1 142 129 14 ILE CB C 36.506 0.300 1 143 129 14 ILE CG1 C 26.725 0.300 1 144 129 14 ILE CG2 C 16.674 0.300 1 145 129 14 ILE CD1 C 11.839 0.300 1 146 129 14 ILE N N 126.306 0.300 1 147 130 15 ARG H H 8.829 0.020 1 148 130 15 ARG HA H 4.492 0.020 1 149 130 15 ARG HB2 H 1.122 0.020 1 150 130 15 ARG HB3 H 1.555 0.020 1 151 130 15 ARG HG2 H 1.307 0.020 1 152 130 15 ARG HG3 H 1.499 0.020 1 153 130 15 ARG HD2 H 2.924 0.020 1 154 130 15 ARG HD3 H 3.026 0.020 1 155 130 15 ARG C C 174.839 0.300 1 156 130 15 ARG CA C 53.518 0.300 1 157 130 15 ARG CB C 31.606 0.300 1 158 130 15 ARG CG C 25.584 0.300 1 159 130 15 ARG CD C 43.425 0.300 1 160 130 15 ARG N N 128.335 0.300 1 161 131 16 ARG H H 8.959 0.020 1 162 131 16 ARG HA H 3.834 0.020 1 163 131 16 ARG HB2 H 1.949 0.020 1 164 131 16 ARG HB3 H 1.845 0.020 1 165 131 16 ARG HG2 H 0.714 0.020 2 166 131 16 ARG HG3 H 0.714 0.020 2 167 131 16 ARG HD2 H 2.981 0.020 1 168 131 16 ARG HD3 H 3.096 0.020 1 169 131 16 ARG HE H 8.631 0.020 1 170 131 16 ARG C C 177.008 0.300 1 171 131 16 ARG CA C 53.417 0.300 1 172 131 16 ARG CB C 25.010 0.300 1 173 131 16 ARG CG C 23.798 0.300 1 174 131 16 ARG CD C 40.679 0.300 1 175 131 16 ARG N N 121.524 0.300 1 176 131 16 ARG NE N 111.449 0.300 1 177 132 17 GLY H H 7.971 0.020 1 178 132 17 GLY HA2 H 3.473 0.020 1 179 132 17 GLY HA3 H 3.982 0.020 1 180 132 17 GLY C C 173.759 0.300 1 181 132 17 GLY CA C 45.079 0.300 1 182 132 17 GLY N N 129.335 0.300 1 183 133 18 VAL H H 8.311 0.020 1 184 133 18 VAL HA H 4.049 0.020 1 185 133 18 VAL HB H 2.399 0.020 1 186 133 18 VAL HG1 H 0.691 0.020 2 187 133 18 VAL HG2 H 0.745 0.020 2 188 133 18 VAL C C 175.394 0.300 1 189 133 18 VAL CA C 61.262 0.300 1 190 133 18 VAL CB C 32.314 0.300 1 191 133 18 VAL CG1 C 20.834 0.300 1 192 133 18 VAL CG2 C 21.840 0.300 1 193 133 18 VAL N N 126.822 0.300 1 194 134 19 ASN H H 8.821 0.020 1 195 134 19 ASN HA H 4.600 0.020 1 196 134 19 ASN HB2 H 2.656 0.020 1 197 134 19 ASN HB3 H 2.729 0.020 1 198 134 19 ASN HD21 H 6.913 0.020 1 199 134 19 ASN HD22 H 6.637 0.020 1 200 134 19 ASN C C 172.958 0.300 1 201 134 19 ASN CA C 52.783 0.300 1 202 134 19 ASN CB C 38.060 0.300 1 203 134 19 ASN N N 126.931 0.300 1 204 134 19 ASN ND2 N 113.201 0.300 1 205 135 20 CYS H H 8.813 0.020 1 206 135 20 CYS HA H 4.757 0.020 1 207 135 20 CYS HB2 H 2.467 0.020 1 208 135 20 CYS HB3 H 3.209 0.020 1 209 135 20 CYS C C 173.834 0.300 1 210 135 20 CYS CA C 56.944 0.300 1 211 135 20 CYS CB C 27.586 0.300 1 212 135 20 CYS N N 125.721 0.300 1 213 136 21 LEU H H 8.893 0.020 1 214 136 21 LEU HA H 4.475 0.020 1 215 136 21 LEU HB2 H 1.159 0.020 1 216 136 21 LEU HB3 H 1.550 0.020 1 217 136 21 LEU HG H 1.263 0.020 1 218 136 21 LEU HD1 H 0.323 0.020 2 219 136 21 LEU HD2 H 0.452 0.020 2 220 136 21 LEU C C 175.982 0.300 1 221 136 21 LEU CA C 53.531 0.300 1 222 136 21 LEU CB C 40.305 0.300 1 223 136 21 LEU CG C 26.194 0.300 1 224 136 21 LEU CD1 C 24.412 0.300 1 225 136 21 LEU CD2 C 21.894 0.300 1 226 136 21 LEU N N 126.253 0.300 1 227 137 22 MET H H 8.526 0.020 1 228 137 22 MET HA H 4.925 0.020 1 229 137 22 MET HB2 H 1.793 0.020 1 230 137 22 MET HB3 H 1.994 0.020 1 231 137 22 MET HG2 H 2.472 0.020 2 232 137 22 MET HG3 H 2.472 0.020 2 233 137 22 MET HE H 2.015 0.020 1 234 137 22 MET C C 176.816 0.300 1 235 137 22 MET CA C 51.821 0.300 1 236 137 22 MET CB C 31.157 0.300 1 237 137 22 MET CG C 31.432 0.300 1 238 137 22 MET CE C 16.294 0.300 1 239 137 22 MET N N 122.546 0.300 1 240 138 23 LEU H H 9.618 0.020 1 241 138 23 LEU HA H 4.473 0.020 1 242 138 23 LEU HB2 H 1.531 0.020 1 243 138 23 LEU HB3 H 1.680 0.020 1 244 138 23 LEU HG H 1.643 0.020 1 245 138 23 LEU HD1 H 0.870 0.020 2 246 138 23 LEU HD2 H 0.875 0.020 2 247 138 23 LEU C C 175.368 0.300 1 248 138 23 LEU CA C 52.232 0.300 1 249 138 23 LEU CB C 41.103 0.300 1 250 138 23 LEU CG C 26.727 0.300 1 251 138 23 LEU CD1 C 21.842 0.300 1 252 138 23 LEU CD2 C 26.568 0.300 1 253 138 23 LEU N N 125.445 0.300 1 254 139 24 PRO HA H 4.321 0.020 1 255 139 24 PRO HB2 H 1.732 0.020 1 256 139 24 PRO HB3 H 2.311 0.020 1 257 139 24 PRO HG2 H 1.943 0.020 1 258 139 24 PRO HG3 H 2.021 0.020 1 259 139 24 PRO HD2 H 3.642 0.020 1 260 139 24 PRO HD3 H 3.745 0.020 1 261 139 24 PRO C C 176.345 0.300 1 262 139 24 PRO CA C 62.579 0.300 1 263 139 24 PRO CB C 31.376 0.300 1 264 139 24 PRO CG C 27.360 0.300 1 265 139 24 PRO CD C 49.822 0.300 1 266 140 25 LYS H H 8.173 0.020 1 267 140 25 LYS HA H 4.062 0.020 1 268 140 25 LYS HB2 H 1.725 0.020 2 269 140 25 LYS HB3 H 1.725 0.020 2 270 140 25 LYS HG2 H 1.435 0.020 1 271 140 25 LYS HG3 H 1.489 0.020 1 272 140 25 LYS HD2 H 1.609 0.020 2 273 140 25 LYS HD3 H 1.609 0.020 2 274 140 25 LYS HE2 H 2.942 0.020 2 275 140 25 LYS HE3 H 2.942 0.020 2 276 140 25 LYS C C 178.012 0.300 1 277 140 25 LYS CA C 56.487 0.300 1 278 140 25 LYS CB C 31.166 0.300 1 279 140 25 LYS CG C 23.907 0.300 1 280 140 25 LYS CD C 28.110 0.300 1 281 140 25 LYS CE C 41.443 0.300 1 282 140 25 LYS N N 121.047 0.300 1 283 141 26 GLY H H 8.674 0.020 1 284 141 26 GLY HA2 H 3.656 0.020 1 285 141 26 GLY HA3 H 4.066 0.020 1 286 141 26 GLY C C 175.437 0.300 1 287 141 26 GLY CA C 44.169 0.300 1 288 141 26 GLY N N 109.976 0.300 1 289 142 27 MET H H 7.564 0.020 1 290 142 27 MET HA H 4.496 0.020 1 291 142 27 MET HB2 H 1.988 0.020 1 292 142 27 MET HB3 H 2.230 0.020 1 293 142 27 MET HG2 H 2.542 0.020 1 294 142 27 MET HG3 H 2.668 0.020 1 295 142 27 MET HE H 2.120 0.020 1 296 142 27 MET C C 177.596 0.300 1 297 142 27 MET CA C 55.035 0.300 1 298 142 27 MET CB C 31.828 0.300 1 299 142 27 MET CG C 32.977 0.300 1 300 142 27 MET CE C 16.747 0.300 1 301 142 27 MET N N 119.771 0.300 1 302 143 28 GLN H H 8.891 0.020 1 303 143 28 GLN HB2 H 2.014 0.020 1 304 143 28 GLN HB3 H 2.098 0.020 1 305 143 28 GLN HG2 H 2.242 0.020 1 306 143 28 GLN HG3 H 2.358 0.020 1 307 143 28 GLN HE21 H 6.780 0.020 1 308 143 28 GLN HE22 H 7.395 0.020 1 309 143 28 GLN C C 178.515 0.300 1 310 143 28 GLN CA C 59.333 0.300 1 311 143 28 GLN CB C 27.818 0.300 1 312 143 28 GLN CG C 32.924 0.300 1 313 143 28 GLN N N 125.598 0.300 1 314 143 28 GLN NE2 N 112.577 0.300 1 315 144 29 ARG H H 9.004 0.020 1 316 144 29 ARG HA H 4.173 0.020 1 317 144 29 ARG HB2 H 1.750 0.020 2 318 144 29 ARG HB3 H 1.750 0.020 2 319 144 29 ARG HG2 H 1.349 0.020 2 320 144 29 ARG HG3 H 1.349 0.020 2 321 144 29 ARG HD2 H 2.565 0.020 2 322 144 29 ARG HD3 H 2.565 0.020 2 323 144 29 ARG HE H 6.426 0.020 1 324 144 29 ARG C C 178.119 0.300 1 325 144 29 ARG CA C 58.805 0.300 1 326 144 29 ARG CB C 29.466 0.300 1 327 144 29 ARG CG C 28.604 0.300 1 328 144 29 ARG CD C 42.647 0.300 1 329 144 29 ARG N N 119.188 0.300 1 330 144 29 ARG NE N 108.518 0.300 1 331 145 30 SER H H 6.733 0.020 1 332 145 30 SER HA H 4.260 0.020 1 333 145 30 SER HB2 H 3.826 0.020 1 334 145 30 SER HB3 H 3.997 0.020 1 335 145 30 SER C C 178.643 0.300 1 336 145 30 SER CA C 59.648 0.300 1 337 145 30 SER CB C 62.077 0.300 1 338 145 30 SER N N 108.409 0.300 1 339 146 31 SER H H 7.788 0.020 1 340 146 31 SER HA H 4.280 0.020 1 341 146 31 SER HB2 H 3.906 0.020 1 342 146 31 SER HB3 H 3.948 0.020 1 343 146 31 SER C C 175.640 0.300 1 344 146 31 SER CA C 60.054 0.300 1 345 146 31 SER CB C 62.408 0.300 1 346 146 31 SER N N 116.149 0.300 1 347 147 32 GLN H H 7.688 0.020 1 348 147 32 GLN HA H 4.156 0.020 1 349 147 32 GLN HB2 H 2.136 0.020 1 350 147 32 GLN HB3 H 2.293 0.020 1 351 147 32 GLN HG2 H 2.354 0.020 1 352 147 32 GLN HG3 H 2.482 0.020 1 353 147 32 GLN HE21 H 6.622 0.020 1 354 147 32 GLN HE22 H 7.303 0.020 1 355 147 32 GLN C C 174.433 0.300 1 356 147 32 GLN CA C 55.678 0.300 1 357 147 32 GLN CB C 29.732 0.300 1 358 147 32 GLN CG C 33.711 0.300 1 359 147 32 GLN N N 119.346 0.300 1 360 147 32 GLN NE2 N 111.084 0.300 1 361 148 33 ASN H H 7.029 0.020 1 362 148 33 ASN HA H 4.051 0.020 1 363 148 33 ASN HB2 H 3.150 0.020 1 364 148 33 ASN HB3 H 3.618 0.020 1 365 148 33 ASN HD21 H 6.674 0.020 1 366 148 33 ASN HD22 H 9.529 0.020 1 367 148 33 ASN C C 176.100 0.300 1 368 148 33 ASN CA C 52.709 0.300 1 369 148 33 ASN CB C 37.886 0.300 1 370 148 33 ASN N N 114.573 0.300 1 371 148 33 ASN ND2 N 115.103 0.300 1 372 149 34 ARG H H 8.346 0.020 1 373 149 34 ARG HA H 4.450 0.020 1 374 149 34 ARG HB2 H 1.277 0.020 1 375 149 34 ARG HB3 H 1.753 0.020 1 376 149 34 ARG HG2 H 0.875 0.020 1 377 149 34 ARG HG3 H 1.099 0.020 1 378 149 34 ARG HD2 H 1.993 0.020 1 379 149 34 ARG HD3 H 2.485 0.020 1 380 149 34 ARG C C 177.008 0.300 1 381 149 34 ARG CA C 53.841 0.300 1 382 149 34 ARG CB C 28.190 0.300 1 383 149 34 ARG CG C 25.793 0.300 1 384 149 34 ARG CD C 42.034 0.300 1 385 149 34 ARG N N 128.151 0.300 1 386 150 35 SER H H 8.026 0.020 1 387 150 35 SER HA H 4.428 0.020 1 388 150 35 SER HB2 H 3.672 0.020 1 389 150 35 SER HB3 H 3.757 0.020 1 390 150 35 SER C C 174.091 0.300 1 391 150 35 SER CA C 58.779 0.300 1 392 150 35 SER CB C 61.905 0.300 1 393 150 35 SER N N 121.559 0.300 1 394 151 36 LYS H H 7.955 0.020 1 395 151 36 LYS HA H 4.040 0.020 1 396 151 36 LYS HB2 H 1.415 0.020 1 397 151 36 LYS HB3 H 1.850 0.020 1 398 151 36 LYS HG2 H 0.612 0.020 1 399 151 36 LYS HG3 H 1.108 0.020 1 400 151 36 LYS HD2 H 1.436 0.020 2 401 151 36 LYS HD3 H 1.436 0.020 2 402 151 36 LYS HE2 H 2.775 0.020 2 403 151 36 LYS HE3 H 2.775 0.020 2 404 151 36 LYS C C 173.172 0.300 1 405 151 36 LYS CA C 55.168 0.300 1 406 151 36 LYS CB C 32.981 0.300 1 407 151 36 LYS CG C 21.182 0.300 1 408 151 36 LYS CD C 28.497 0.300 1 409 151 36 LYS CE C 41.247 0.300 1 410 151 36 LYS N N 122.384 0.300 1 411 152 37 TRP H H 8.313 0.020 1 412 152 37 TRP HA H 4.210 0.020 1 413 152 37 TRP HB2 H 3.067 0.020 1 414 152 37 TRP HB3 H 3.120 0.020 1 415 152 37 TRP HD1 H 6.808 0.020 1 416 152 37 TRP HE1 H 10.236 0.020 1 417 152 37 TRP HZ2 H 7.387 0.020 1 418 152 37 TRP HZ3 H 6.871 0.020 1 419 152 37 TRP HH2 H 7.048 0.020 1 420 152 37 TRP C C 174.849 0.300 1 421 152 37 TRP CA C 56.719 0.300 1 422 152 37 TRP CB C 28.426 0.300 1 423 152 37 TRP CD1 C 126.354 0.300 1 424 152 37 TRP CZ2 C 114.870 0.300 1 425 152 37 TRP CZ3 C 121.171 0.300 1 426 152 37 TRP CH2 C 124.645 0.300 1 427 152 37 TRP N N 120.381 0.300 1 428 152 37 TRP NE1 N 129.538 0.300 1 429 153 38 ASP H H 8.328 0.020 1 430 153 38 ASP HA H 4.533 0.020 1 431 153 38 ASP HB2 H 1.979 0.020 1 432 153 38 ASP HB3 H 2.688 0.020 1 433 153 38 ASP C C 175.907 0.300 1 434 153 38 ASP CA C 52.336 0.300 1 435 153 38 ASP CB C 42.479 0.300 1 436 153 38 ASP N N 130.794 0.300 1 437 154 39 LYS H H 8.543 0.020 1 438 154 39 LYS HA H 3.949 0.020 1 439 154 39 LYS HB2 H 1.848 0.020 2 440 154 39 LYS HB3 H 1.848 0.020 2 441 154 39 LYS HG2 H 1.463 0.020 1 442 154 39 LYS HG3 H 1.513 0.020 1 443 154 39 LYS HD2 H 1.698 0.020 2 444 154 39 LYS HD3 H 1.698 0.020 2 445 154 39 LYS HE2 H 2.975 0.020 2 446 154 39 LYS HE3 H 2.975 0.020 2 447 154 39 LYS C C 177.948 0.300 1 448 154 39 LYS CA C 57.705 0.300 1 449 154 39 LYS CB C 31.829 0.300 1 450 154 39 LYS CG C 24.398 0.300 1 451 154 39 LYS CD C 28.600 0.300 1 452 154 39 LYS CE C 41.316 0.300 1 453 154 39 LYS N N 126.233 0.300 1 454 155 40 THR H H 8.153 0.020 1 455 155 40 THR HA H 4.029 0.020 1 456 155 40 THR HB H 4.158 0.020 1 457 155 40 THR HG2 H 1.136 0.020 1 458 155 40 THR C C 175.993 0.300 1 459 155 40 THR CA C 64.344 0.300 1 460 155 40 THR CB C 67.789 0.300 1 461 155 40 THR CG2 C 21.163 0.300 1 462 155 40 THR N N 114.915 0.300 1 463 156 41 MET H H 7.835 0.020 1 464 156 41 MET HA H 4.194 0.020 1 465 156 41 MET HB2 H 1.872 0.020 2 466 156 41 MET HB3 H 1.872 0.020 2 467 156 41 MET HG2 H 2.263 0.020 1 468 156 41 MET HG3 H 2.339 0.020 1 469 156 41 MET HE H 1.846 0.020 1 470 156 41 MET C C 175.138 0.300 1 471 156 41 MET CA C 55.252 0.300 1 472 156 41 MET CB C 33.375 0.300 1 473 156 41 MET CG C 31.678 0.300 1 474 156 41 MET CE C 16.269 0.300 1 475 156 41 MET N N 119.326 0.300 1 476 157 42 ASP H H 8.013 0.020 1 477 157 42 ASP HA H 4.076 0.020 1 478 157 42 ASP HB2 H 2.334 0.020 1 479 157 42 ASP HB3 H 3.126 0.020 1 480 157 42 ASP C C 173.546 0.300 1 481 157 42 ASP CA C 54.318 0.300 1 482 157 42 ASP CB C 38.928 0.300 1 483 157 42 ASP N N 120.802 0.300 1 484 158 43 LEU H H 6.637 0.020 1 485 158 43 LEU HA H 3.894 0.020 1 486 158 43 LEU HB2 H 1.417 0.020 1 487 158 43 LEU HB3 H 1.855 0.020 1 488 158 43 LEU HG H 1.398 0.020 1 489 158 43 LEU HD1 H 0.643 0.020 2 490 158 43 LEU HD2 H 0.829 0.020 2 491 158 43 LEU C C 173.599 0.300 1 492 158 43 LEU CA C 53.416 0.300 1 493 158 43 LEU CB C 43.293 0.300 1 494 158 43 LEU CG C 24.785 0.300 1 495 158 43 LEU CD1 C 24.542 0.300 1 496 158 43 LEU CD2 C 26.315 0.300 1 497 158 43 LEU N N 113.013 0.300 1 498 159 44 PHE H H 8.254 0.020 1 499 159 44 PHE HA H 4.397 0.020 1 500 159 44 PHE HB2 H 2.524 0.020 1 501 159 44 PHE HB3 H 2.722 0.020 1 502 159 44 PHE HD1 H 6.298 0.020 3 503 159 44 PHE HD2 H 6.298 0.020 3 504 159 44 PHE HE1 H 7.281 0.020 3 505 159 44 PHE HE2 H 7.281 0.020 3 506 159 44 PHE C C 173.877 0.300 1 507 159 44 PHE CA C 57.055 0.300 1 508 159 44 PHE CB C 41.469 0.300 1 509 159 44 PHE N N 124.283 0.300 1 510 160 45 VAL H H 7.859 0.020 1 511 160 45 VAL HA H 4.942 0.020 1 512 160 45 VAL HB H 1.407 0.020 1 513 160 45 VAL HG1 H 0.641 0.020 2 514 160 45 VAL HG2 H 0.497 0.020 2 515 160 45 VAL C C 173.011 0.300 1 516 160 45 VAL CA C 56.848 0.300 1 517 160 45 VAL CB C 33.381 0.300 1 518 160 45 VAL CG1 C 18.154 0.300 1 519 160 45 VAL CG2 C 21.094 0.300 1 520 160 45 VAL N N 119.539 0.300 1 521 161 46 TRP H H 9.192 0.020 1 522 161 46 TRP HA H 4.609 0.020 1 523 161 46 TRP HB2 H 2.475 0.020 1 524 161 46 TRP HB3 H 3.350 0.020 1 525 161 46 TRP HD1 H 6.634 0.020 1 526 161 46 TRP HE1 H 11.336 0.020 1 527 161 46 TRP HZ2 H 6.947 0.020 1 528 161 46 TRP HH2 H 6.776 0.020 1 529 161 46 TRP C C 178.344 0.300 1 530 161 46 TRP CA C 55.998 0.300 1 531 161 46 TRP CB C 31.426 0.300 1 532 161 46 TRP CD1 C 123.996 0.300 1 533 161 46 TRP CZ2 C 115.419 0.300 1 534 161 46 TRP CH2 C 123.605 0.300 1 535 161 46 TRP N N 121.043 0.300 1 536 161 46 TRP NE1 N 131.160 0.300 1 537 162 47 SER H H 7.823 0.020 1 538 162 47 SER HA H 5.121 0.020 1 539 162 47 SER HB2 H 2.604 0.020 1 540 162 47 SER HB3 H 3.016 0.020 1 541 162 47 SER C C 172.242 0.300 1 542 162 47 SER CA C 58.547 0.300 1 543 162 47 SER CB C 61.630 0.300 1 544 162 47 SER N N 118.185 0.300 1 545 163 48 VAL H H 8.418 0.020 1 546 163 48 VAL HA H 4.337 0.020 1 547 163 48 VAL HB H 1.310 0.020 1 548 163 48 VAL HG1 H 0.371 0.020 2 549 163 48 VAL HG2 H 0.430 0.020 2 550 163 48 VAL C C 174.059 0.300 1 551 163 48 VAL CA C 60.464 0.300 1 552 163 48 VAL CB C 36.902 0.300 1 553 163 48 VAL CG1 C 19.486 0.300 1 554 163 48 VAL CG2 C 21.611 0.300 1 555 163 48 VAL N N 119.039 0.300 1 556 164 49 GLU H H 8.695 0.020 1 557 164 49 GLU HA H 4.752 0.020 1 558 164 49 GLU HG2 H 1.794 0.020 1 559 164 49 GLU HG3 H 1.831 0.020 1 560 164 49 GLU C C 172.905 0.300 1 561 164 49 GLU CA C 53.794 0.300 1 562 164 49 GLU CB C 30.547 0.300 1 563 164 49 GLU CG C 35.692 0.300 1 564 164 49 GLU N N 126.700 0.300 1 565 165 50 TRP H H 9.396 0.020 1 566 165 50 TRP HA H 4.992 0.020 1 567 165 50 TRP HB2 H 2.986 0.020 1 568 165 50 TRP HB3 H 3.268 0.020 1 569 165 50 TRP HD1 H 7.368 0.020 1 570 165 50 TRP HE1 H 9.497 0.020 1 571 165 50 TRP HE3 H 7.328 0.020 1 572 165 50 TRP HZ2 H 6.993 0.020 1 573 165 50 TRP HZ3 H 6.853 0.020 1 574 165 50 TRP HH2 H 6.788 0.020 1 575 165 50 TRP C C 175.950 0.300 1 576 165 50 TRP CA C 55.140 0.300 1 577 165 50 TRP CB C 30.068 0.300 1 578 165 50 TRP CD1 C 129.119 0.300 1 579 165 50 TRP CE3 C 119.712 0.300 1 580 165 50 TRP CZ2 C 113.281 0.300 1 581 165 50 TRP CZ3 C 120.594 0.300 1 582 165 50 TRP CH2 C 123.729 0.300 1 583 165 50 TRP N N 130.959 0.300 1 584 165 50 TRP NE1 N 127.108 0.300 1 585 166 51 ILE H H 9.065 0.020 1 586 166 51 ILE HA H 4.848 0.020 1 587 166 51 ILE HB H 1.196 0.020 1 588 166 51 ILE HG12 H 0.606 0.020 1 589 166 51 ILE HG13 H 0.964 0.020 1 590 166 51 ILE HG2 H 0.722 0.020 1 591 166 51 ILE HD1 H 0.217 0.020 1 592 166 51 ILE C C 174.903 0.300 1 593 166 51 ILE CA C 60.089 0.300 1 594 166 51 ILE CB C 37.786 0.300 1 595 166 51 ILE CG1 C 26.245 0.300 1 596 166 51 ILE CG2 C 17.441 0.300 1 597 166 51 ILE CD1 C 12.369 0.300 1 598 166 51 ILE N N 122.162 0.300 1 599 167 52 LEU H H 9.690 0.020 1 600 167 52 LEU HA H 4.883 0.020 1 601 167 52 LEU HB2 H 1.752 0.020 1 602 167 52 LEU HB3 H 1.846 0.020 1 603 167 52 LEU HG H 1.894 0.020 1 604 167 52 LEU HD1 H 0.736 0.020 2 605 167 52 LEU HD2 H 0.693 0.020 2 606 167 52 LEU C C 176.388 0.300 1 607 167 52 LEU CA C 53.975 0.300 1 608 167 52 LEU CB C 41.462 0.300 1 609 167 52 LEU CG C 28.513 0.300 1 610 167 52 LEU CD1 C 24.811 0.300 1 611 167 52 LEU CD2 C 24.555 0.300 1 612 167 52 LEU N N 128.322 0.300 1 613 168 53 CYS H H 8.903 0.020 1 614 168 53 CYS HA H 4.994 0.020 1 615 168 53 CYS HB2 H 3.015 0.020 1 616 168 53 CYS HB3 H 3.383 0.020 1 617 168 53 CYS C C 175.047 0.300 1 618 168 53 CYS CA C 55.140 0.300 1 619 168 53 CYS CB C 26.919 0.300 1 620 168 53 CYS N N 122.834 0.300 1 621 169 54 PRO HA H 3.921 0.020 1 622 169 54 PRO HB2 H 1.055 0.020 1 623 169 54 PRO HB3 H 1.298 0.020 1 624 169 54 PRO HG2 H 1.446 0.020 2 625 169 54 PRO HG3 H 1.446 0.020 2 626 169 54 PRO HD2 H 3.876 0.020 1 627 169 54 PRO HD3 H 3.999 0.020 1 628 169 54 PRO C C 175.020 0.300 1 629 169 54 PRO CA C 62.124 0.300 1 630 169 54 PRO CB C 31.293 0.300 1 631 169 54 PRO CG C 25.883 0.300 1 632 169 54 PRO CD C 50.939 0.300 1 633 170 55 MET H H 8.774 0.020 1 634 170 55 MET HA H 4.561 0.020 1 635 170 55 MET HB2 H 2.013 0.020 1 636 170 55 MET HB3 H 2.117 0.020 1 637 170 55 MET HG2 H 2.619 0.020 1 638 170 55 MET HG3 H 2.687 0.020 1 639 170 55 MET HE H 2.176 0.020 1 640 170 55 MET C C 176.698 0.300 1 641 170 55 MET CA C 54.918 0.300 1 642 170 55 MET CB C 32.049 0.300 1 643 170 55 MET CG C 31.069 0.300 1 644 170 55 MET CE C 15.439 0.300 1 645 170 55 MET N N 119.791 0.300 1 646 171 56 GLN H H 8.370 0.020 1 647 171 56 GLN HA H 4.148 0.020 1 648 171 56 GLN HB2 H 1.909 0.020 1 649 171 56 GLN HB3 H 2.010 0.020 1 650 171 56 GLN HG2 H 2.347 0.020 1 651 171 56 GLN HG3 H 2.440 0.020 1 652 171 56 GLN HE21 H 6.895 0.020 1 653 171 56 GLN HE22 H 7.913 0.020 1 654 171 56 GLN C C 176.602 0.300 1 655 171 56 GLN CA C 55.758 0.300 1 656 171 56 GLN CB C 27.729 0.300 1 657 171 56 GLN CG C 32.279 0.300 1 658 171 56 GLN N N 125.297 0.300 1 659 171 56 GLN NE2 N 112.694 0.300 1 660 172 57 GLU H H 8.637 0.020 1 661 172 57 GLU HA H 4.396 0.020 1 662 172 57 GLU HB2 H 1.788 0.020 1 663 172 57 GLU HB3 H 1.993 0.020 1 664 172 57 GLU HG2 H 2.116 0.020 2 665 172 57 GLU HG3 H 2.116 0.020 2 666 172 57 GLU C C 176.036 0.300 1 667 172 57 GLU CA C 54.850 0.300 1 668 172 57 GLU CB C 31.222 0.300 1 669 172 57 GLU CG C 35.568 0.300 1 670 172 57 GLU N N 123.158 0.300 1 671 173 58 LYS H H 8.413 0.020 1 672 173 58 LYS HA H 4.089 0.020 1 673 173 58 LYS HB2 H 1.742 0.020 1 674 173 58 LYS HB3 H 1.786 0.020 1 675 173 58 LYS HG2 H 1.341 0.020 1 676 173 58 LYS HG3 H 1.399 0.020 1 677 173 58 LYS HD2 H 1.612 0.020 2 678 173 58 LYS HD3 H 1.612 0.020 2 679 173 58 LYS HE2 H 2.930 0.020 2 680 173 58 LYS HE3 H 2.930 0.020 2 681 173 58 LYS C C 177.275 0.300 1 682 173 58 LYS CA C 56.586 0.300 1 683 173 58 LYS CB C 31.438 0.300 1 684 173 58 LYS CG C 24.113 0.300 1 685 173 58 LYS CD C 28.349 0.300 1 686 173 58 LYS CE C 41.418 0.300 1 687 173 58 LYS N N 121.887 0.300 1 688 174 59 GLY H H 8.405 0.020 1 689 174 59 GLY HA2 H 3.716 0.020 1 690 174 59 GLY HA3 H 4.049 0.020 1 691 174 59 GLY C C 173.877 0.300 1 692 174 59 GLY CA C 44.568 0.300 1 693 174 59 GLY N N 110.952 0.300 1 694 175 60 GLU H H 7.922 0.020 1 695 175 60 GLU HA H 4.284 0.020 1 696 175 60 GLU HB2 H 1.820 0.020 1 697 175 60 GLU HB3 H 1.897 0.020 1 698 175 60 GLU HG2 H 2.078 0.020 2 699 175 60 GLU HG3 H 2.078 0.020 2 700 175 60 GLU C C 175.811 0.300 1 701 175 60 GLU CA C 55.128 0.300 1 702 175 60 GLU CB C 30.311 0.300 1 703 175 60 GLU CG C 35.250 0.300 1 704 175 60 GLU N N 121.175 0.300 1 705 176 61 LYS H H 8.465 0.020 1 706 176 61 LYS HA H 4.295 0.020 1 707 176 61 LYS HB2 H 1.647 0.020 1 708 176 61 LYS HB3 H 1.710 0.020 1 709 176 61 LYS HG2 H 1.303 0.020 1 710 176 61 LYS HG3 H 1.354 0.020 1 711 176 61 LYS HD2 H 1.611 0.020 2 712 176 61 LYS HD3 H 1.611 0.020 2 713 176 61 LYS HE2 H 2.929 0.020 2 714 176 61 LYS HE3 H 2.929 0.020 2 715 176 61 LYS C C 176.516 0.300 1 716 176 61 LYS CA C 55.305 0.300 1 717 176 61 LYS CB C 32.092 0.300 1 718 176 61 LYS CG C 23.978 0.300 1 719 176 61 LYS CD C 28.312 0.300 1 720 176 61 LYS CE C 41.476 0.300 1 721 176 61 LYS N N 124.468 0.300 1 722 177 62 LYS H H 8.587 0.020 1 723 177 62 LYS HA H 4.373 0.020 1 724 177 62 LYS HB2 H 1.288 0.020 1 725 177 62 LYS HB3 H 1.627 0.020 1 726 177 62 LYS HG2 H 1.273 0.020 1 727 177 62 LYS HG3 H 1.337 0.020 1 728 177 62 LYS HD2 H 1.347 0.020 1 729 177 62 LYS HD3 H 1.460 0.020 1 730 177 62 LYS HE2 H 2.833 0.020 2 731 177 62 LYS HE3 H 2.833 0.020 2 732 177 62 LYS C C 176.076 0.300 1 733 177 62 LYS CA C 54.664 0.300 1 734 177 62 LYS CB C 33.893 0.300 1 735 177 62 LYS CG C 24.433 0.300 1 736 177 62 LYS CD C 28.661 0.300 1 737 177 62 LYS CE C 41.647 0.300 1 738 177 62 LYS N N 125.570 0.300 1 739 178 63 GLU H H 8.250 0.020 1 740 178 63 GLU HA H 4.281 0.020 1 741 178 63 GLU HB2 H 1.904 0.020 1 742 178 63 GLU HB3 H 2.117 0.020 1 743 178 63 GLU HG2 H 2.335 0.020 1 744 178 63 GLU HG3 H 2.393 0.020 1 745 178 63 GLU C C 176.271 0.300 1 746 178 63 GLU CA C 55.210 0.300 1 747 178 63 GLU CB C 30.378 0.300 1 748 178 63 GLU CG C 35.527 0.300 1 749 178 63 GLU N N 122.021 0.300 1 750 179 64 LEU H H 8.198 0.020 1 751 179 64 LEU HA H 4.450 0.020 1 752 179 64 LEU HB2 H 1.390 0.020 1 753 179 64 LEU HB3 H 1.675 0.020 1 754 179 64 LEU HG H 1.935 0.020 1 755 179 64 LEU HD1 H 0.939 0.020 2 756 179 64 LEU HD2 H 1.023 0.020 2 757 179 64 LEU C C 177.446 0.300 1 758 179 64 LEU CA C 54.806 0.300 1 759 179 64 LEU CB C 41.945 0.300 1 760 179 64 LEU CG C 26.433 0.300 1 761 179 64 LEU CD1 C 24.751 0.300 1 762 179 64 LEU CD2 C 23.476 0.300 1 763 179 64 LEU N N 120.234 0.300 1 764 180 65 PHE H H 8.245 0.020 1 765 180 65 PHE HA H 4.966 0.020 1 766 180 65 PHE HB2 H 2.798 0.020 1 767 180 65 PHE HB3 H 3.147 0.020 1 768 180 65 PHE HD1 H 7.134 0.020 3 769 180 65 PHE HD2 H 7.134 0.020 3 770 180 65 PHE HE1 H 7.284 0.020 3 771 180 65 PHE HE2 H 7.284 0.020 3 772 180 65 PHE C C 173.011 0.300 1 773 180 65 PHE CA C 56.531 0.300 1 774 180 65 PHE CB C 41.003 0.300 1 775 180 65 PHE CD1 C 131.621 0.300 1 776 180 65 PHE CE1 C 129.423 0.300 1 777 180 65 PHE N N 123.247 0.300 1 778 181 66 LYS H H 7.873 0.020 1 779 181 66 LYS HA H 5.566 0.020 1 780 181 66 LYS HB2 H 1.512 0.020 2 781 181 66 LYS HB3 H 1.512 0.020 2 782 181 66 LYS HG2 H 1.247 0.020 1 783 181 66 LYS HG3 H 1.162 0.020 1 784 181 66 LYS HD2 H 1.541 0.020 2 785 181 66 LYS HD3 H 1.541 0.020 2 786 181 66 LYS HE2 H 2.765 0.020 1 787 181 66 LYS HE3 H 2.821 0.020 1 788 181 66 LYS C C 175.573 0.300 1 789 181 66 LYS CA C 53.188 0.300 1 790 181 66 LYS CB C 34.529 0.300 1 791 181 66 LYS CG C 24.309 0.300 1 792 181 66 LYS CD C 28.763 0.300 1 793 181 66 LYS CE C 41.464 0.300 1 794 181 66 LYS N N 126.876 0.300 1 795 182 67 HIS H H 8.910 0.020 1 796 182 67 HIS HA H 4.454 0.020 1 797 182 67 HIS HB2 H 2.596 0.020 1 798 182 67 HIS HB3 H 2.811 0.020 1 799 182 67 HIS HD2 H 6.923 0.020 1 800 182 67 HIS HE1 H 8.518 0.020 1 801 182 67 HIS C C 173.022 0.300 1 802 182 67 HIS CA C 55.900 0.300 1 803 182 67 HIS CB C 34.416 0.300 1 804 182 67 HIS CD2 C 121.246 0.300 1 805 182 67 HIS CE1 C 136.539 0.300 1 806 182 67 HIS N N 122.360 0.300 1 807 183 68 VAL H H 7.806 0.020 1 808 183 68 VAL HA H 4.790 0.020 1 809 183 68 VAL HB H 1.628 0.020 1 810 183 68 VAL HG1 H 0.244 0.020 2 811 183 68 VAL HG2 H 0.818 0.020 2 812 183 68 VAL C C 174.660 0.300 1 813 183 68 VAL CA C 60.771 0.300 1 814 183 68 VAL CB C 31.356 0.300 1 815 183 68 VAL CG1 C 21.423 0.300 1 816 183 68 VAL CG2 C 20.678 0.300 1 817 183 68 VAL N N 128.476 0.300 1 818 184 69 SER H H 9.065 0.020 1 819 184 69 SER HA H 4.638 0.020 1 820 184 69 SER HB2 H 3.936 0.020 1 821 184 69 SER HB3 H 4.184 0.020 1 822 184 69 SER C C 171.911 0.300 1 823 184 69 SER CA C 56.794 0.300 1 824 184 69 SER CB C 65.706 0.300 1 825 184 69 SER N N 124.653 0.300 1 826 185 70 HIS H H 8.294 0.020 1 827 185 70 HIS HA H 5.022 0.020 1 828 185 70 HIS HB2 H 2.701 0.020 1 829 185 70 HIS HB3 H 2.918 0.020 1 830 185 70 HIS HD2 H 6.890 0.020 1 831 185 70 HIS HE1 H 7.941 0.020 1 832 185 70 HIS C C 174.978 0.300 1 833 185 70 HIS CA C 54.497 0.300 1 834 185 70 HIS CB C 34.565 0.300 1 835 185 70 HIS CD2 C 118.315 0.300 1 836 185 70 HIS CE1 C 140.221 0.300 1 837 185 70 HIS N N 118.863 0.300 1 838 186 71 ARG H H 9.329 0.020 1 839 186 71 ARG HA H 3.174 0.020 1 840 186 71 ARG HB2 H 1.852 0.020 1 841 186 71 ARG HB3 H 1.931 0.020 1 842 186 71 ARG HG2 H 1.410 0.020 2 843 186 71 ARG HG3 H 1.410 0.020 2 844 186 71 ARG HD2 H 3.136 0.020 2 845 186 71 ARG HD3 H 3.136 0.020 2 846 186 71 ARG C C 174.807 0.300 1 847 186 71 ARG CA C 56.194 0.300 1 848 186 71 ARG CB C 26.551 0.300 1 849 186 71 ARG CG C 28.043 0.300 1 850 186 71 ARG CD C 42.681 0.300 1 851 186 71 ARG N N 116.542 0.300 1 852 187 72 ILE H H 8.809 0.020 1 853 187 72 ILE HA H 4.169 0.020 1 854 187 72 ILE HB H 2.053 0.020 1 855 187 72 ILE HG12 H 1.178 0.020 1 856 187 72 ILE HG13 H 1.488 0.020 1 857 187 72 ILE HG2 H 0.865 0.020 1 858 187 72 ILE HD1 H 0.850 0.020 1 859 187 72 ILE C C 176.826 0.300 1 860 187 72 ILE CA C 60.537 0.300 1 861 187 72 ILE CB C 36.004 0.300 1 862 187 72 ILE CG1 C 27.855 0.300 1 863 187 72 ILE CG2 C 17.225 0.300 1 864 187 72 ILE CD1 C 12.927 0.300 1 865 187 72 ILE N N 122.239 0.300 1 866 188 73 LYS H H 8.924 0.020 1 867 188 73 LYS HA H 4.085 0.020 1 868 188 73 LYS HB2 H 1.651 0.020 2 869 188 73 LYS HB3 H 1.651 0.020 2 870 188 73 LYS C C 180.150 0.300 1 871 188 73 LYS CA C 57.439 0.300 1 872 188 73 LYS CB C 32.922 0.300 1 873 188 73 LYS N N 128.981 0.300 1 874 189 74 GLU H H 8.584 0.020 1 875 189 74 GLU HA H 4.273 0.020 1 876 189 74 GLU HB2 H 2.300 0.020 1 877 189 74 GLU HB3 H 2.577 0.020 1 878 189 74 GLU HG2 H 2.363 0.020 1 879 189 74 GLU HG3 H 2.813 0.020 1 880 189 74 GLU C C 175.822 0.300 1 881 189 74 GLU CA C 57.743 0.300 1 882 189 74 GLU CB C 28.449 0.300 1 883 189 74 GLU CG C 35.216 0.300 1 884 189 74 GLU N N 117.645 0.300 1 885 190 75 THR H H 6.842 0.020 1 886 190 75 THR HA H 4.290 0.020 1 887 190 75 THR HB H 4.472 0.020 1 888 190 75 THR HG2 H 1.242 0.020 1 889 190 75 THR C C 175.474 0.300 1 890 190 75 THR CA C 60.664 0.300 1 891 190 75 THR CB C 67.989 0.300 1 892 190 75 THR CG2 C 22.334 0.300 1 893 190 75 THR N N 131.584 0.300 1 894 191 76 ASP H H 7.770 0.020 1 895 191 76 ASP HA H 4.811 0.020 1 896 191 76 ASP HB2 H 2.599 0.020 1 897 191 76 ASP HB3 H 2.929 0.020 1 898 191 76 ASP C C 176.759 0.300 1 899 191 76 ASP CA C 53.739 0.300 1 900 191 76 ASP CB C 40.148 0.300 1 901 191 76 ASP N N 124.262 0.300 1 902 192 77 PHE H H 8.754 0.020 1 903 192 77 PHE HA H 4.433 0.020 1 904 192 77 PHE HB2 H 2.734 0.020 1 905 192 77 PHE HB3 H 3.662 0.020 1 906 192 77 PHE HD1 H 7.278 0.020 3 907 192 77 PHE HD2 H 7.278 0.020 3 908 192 77 PHE HE1 H 7.036 0.020 3 909 192 77 PHE HE2 H 7.036 0.020 3 910 192 77 PHE C C 178.421 0.300 1 911 192 77 PHE CA C 57.269 0.300 1 912 192 77 PHE CB C 37.827 0.300 1 913 192 77 PHE CD1 C 131.282 0.300 1 914 192 77 PHE CE1 C 131.296 0.300 1 915 192 77 PHE N N 120.854 0.300 1 916 193 78 LEU H H 9.972 0.020 1 917 193 78 LEU HA H 3.818 0.020 1 918 193 78 LEU HB2 H 1.398 0.020 1 919 193 78 LEU HB3 H 1.492 0.020 1 920 193 78 LEU HG H 1.629 0.020 1 921 193 78 LEU HD1 H 0.656 0.020 2 922 193 78 LEU HD2 H 0.647 0.020 2 923 193 78 LEU C C 179.014 0.300 1 924 193 78 LEU CA C 58.529 0.300 1 925 193 78 LEU CB C 41.570 0.300 1 926 193 78 LEU CG C 26.737 0.300 1 927 193 78 LEU CD1 C 24.122 0.300 1 928 193 78 LEU CD2 C 24.421 0.300 1 929 193 78 LEU N N 125.677 0.300 1 930 194 79 VAL H H 8.651 0.020 1 931 194 79 VAL HA H 3.751 0.020 1 932 194 79 VAL HB H 2.027 0.020 1 933 194 79 VAL HG1 H 0.857 0.020 2 934 194 79 VAL HG2 H 0.857 0.020 2 935 194 79 VAL C C 177.785 0.300 1 936 194 79 VAL CA C 64.819 0.300 1 937 194 79 VAL CB C 30.276 0.300 1 938 194 79 VAL CG1 C 21.372 0.300 1 939 194 79 VAL CG2 C 21.343 0.300 1 940 194 79 VAL N N 112.421 0.300 1 941 195 80 GLN H H 7.505 0.020 1 942 195 80 GLN HA H 4.049 0.020 1 943 195 80 GLN HB2 H 2.166 0.020 1 944 195 80 GLN HB3 H 2.352 0.020 1 945 195 80 GLN HG2 H 2.219 0.020 1 946 195 80 GLN HG3 H 2.400 0.020 1 947 195 80 GLN HE21 H 6.775 0.020 1 948 195 80 GLN HE22 H 7.614 0.020 1 949 195 80 GLN C C 177.534 0.300 1 950 195 80 GLN CA C 57.034 0.300 1 951 195 80 GLN CB C 28.428 0.300 1 952 195 80 GLN CG C 34.521 0.300 1 953 195 80 GLN N N 118.909 0.300 1 954 195 80 GLN NE2 N 112.775 0.300 1 955 196 81 GLY H H 8.073 0.020 1 956 196 81 GLY HA2 H 3.531 0.020 1 957 196 81 GLY HA3 H 4.394 0.020 1 958 196 81 GLY C C 173.922 0.300 1 959 196 81 GLY CA C 44.888 0.300 1 960 196 81 GLY N N 131.675 0.300 1 961 197 82 MET H H 7.245 0.020 1 962 197 82 MET HA H 3.655 0.020 1 963 197 82 MET HB2 H 1.628 0.020 1 964 197 82 MET HB3 H 1.734 0.020 1 965 197 82 MET HG2 H 1.569 0.020 1 966 197 82 MET HG3 H 1.938 0.020 1 967 197 82 MET HE H 1.621 0.020 1 968 197 82 MET C C 175.990 0.300 1 969 197 82 MET CA C 57.229 0.300 1 970 197 82 MET CB C 33.057 0.300 1 971 197 82 MET CG C 31.399 0.300 1 972 197 82 MET CE C 16.429 0.300 1 973 197 82 MET N N 120.213 0.300 1 974 198 83 GLY H H 7.756 0.020 1 975 198 83 GLY HA2 H 4.039 0.020 1 976 198 83 GLY HA3 H 4.123 0.020 1 977 198 83 GLY C C 173.845 0.300 1 978 198 83 GLY CA C 44.113 0.300 1 979 198 83 GLY N N 109.413 0.300 1 980 199 84 LYS H H 8.612 0.020 1 981 199 84 LYS HA H 3.855 0.020 1 982 199 84 LYS HB2 H 1.750 0.020 1 983 199 84 LYS HB3 H 1.831 0.020 1 984 199 84 LYS HG2 H 1.315 0.020 1 985 199 84 LYS HG3 H 1.428 0.020 1 986 199 84 LYS HD2 H 1.627 0.020 2 987 199 84 LYS HD3 H 1.627 0.020 2 988 199 84 LYS HE2 H 2.836 0.020 2 989 199 84 LYS HE3 H 2.836 0.020 2 990 199 84 LYS C C 178.066 0.300 1 991 199 84 LYS CA C 59.383 0.300 1 992 199 84 LYS CB C 31.944 0.300 1 993 199 84 LYS CG C 24.123 0.300 1 994 199 84 LYS CD C 28.730 0.300 1 995 199 84 LYS CE C 41.471 0.300 1 996 199 84 LYS N N 121.591 0.300 1 997 200 85 ASN H H 8.483 0.020 1 998 200 85 ASN HA H 4.264 0.020 1 999 200 85 ASN HB2 H 2.577 0.020 2 1000 200 85 ASN HB3 H 2.577 0.020 2 1001 200 85 ASN HD21 H 6.168 0.020 1 1002 200 85 ASN HD22 H 7.493 0.020 1 1003 200 85 ASN C C 177.767 0.300 1 1004 200 85 ASN CA C 55.655 0.300 1 1005 200 85 ASN CB C 36.184 0.300 1 1006 200 85 ASN N N 117.000 0.300 1 1007 200 85 ASN ND2 N 112.310 0.300 1 1008 201 86 VAL H H 7.427 0.020 1 1009 201 86 VAL HA H 3.185 0.020 1 1010 201 86 VAL HB H 1.549 0.020 1 1011 201 86 VAL HG1 H 0.211 0.020 2 1012 201 86 VAL HG2 H 0.625 0.020 2 1013 201 86 VAL C C 177.628 0.300 1 1014 201 86 VAL CA C 65.439 0.300 1 1015 201 86 VAL CB C 30.414 0.300 1 1016 201 86 VAL CG1 C 19.799 0.300 1 1017 201 86 VAL CG2 C 22.453 0.300 1 1018 201 86 VAL N N 121.767 0.300 1 1019 202 87 PHE H H 8.063 0.020 1 1020 202 87 PHE HA H 3.964 0.020 1 1021 202 87 PHE HB2 H 2.836 0.020 2 1022 202 87 PHE HB3 H 2.836 0.020 2 1023 202 87 PHE HD1 H 7.097 0.020 3 1024 202 87 PHE HD2 H 7.097 0.020 3 1025 202 87 PHE HE1 H 7.007 0.020 3 1026 202 87 PHE HE2 H 7.007 0.020 3 1027 202 87 PHE HZ H 7.004 0.020 1 1028 202 87 PHE C C 177.696 0.300 1 1029 202 87 PHE CA C 62.174 0.300 1 1030 202 87 PHE CB C 37.953 0.300 1 1031 202 87 PHE CD1 C 131.098 0.300 1 1032 202 87 PHE N N 121.403 0.300 1 1033 203 88 GLN H H 8.560 0.020 1 1034 203 88 GLN HA H 3.632 0.020 1 1035 203 88 GLN HB2 H 1.890 0.020 1 1036 203 88 GLN HB3 H 2.069 0.020 1 1037 203 88 GLN HG2 H 2.286 0.020 1 1038 203 88 GLN HG3 H 2.410 0.020 1 1039 203 88 GLN HE21 H 6.757 0.020 1 1040 203 88 GLN HE22 H 7.470 0.020 1 1041 203 88 GLN C C 178.703 0.300 1 1042 203 88 GLN CA C 58.811 0.300 1 1043 203 88 GLN CB C 26.956 0.300 1 1044 203 88 GLN CG C 33.308 0.300 1 1045 203 88 GLN N N 119.388 0.300 1 1046 203 88 GLN NE2 N 112.361 0.300 1 1047 204 89 LYS H H 7.156 0.020 1 1048 204 89 LYS HA H 3.543 0.020 1 1049 204 89 LYS HB2 H 0.778 0.020 1 1050 204 89 LYS HB3 H 0.991 0.020 1 1051 204 89 LYS HG2 H 0.281 0.020 1 1052 204 89 LYS HG3 H 0.086 0.020 1 1053 204 89 LYS HD2 H 0.755 0.020 1 1054 204 89 LYS HD3 H 0.908 0.020 1 1055 204 89 LYS HE2 H 2.071 0.020 1 1056 204 89 LYS HE3 H 2.134 0.020 1 1057 204 89 LYS C C 178.256 0.300 1 1058 204 89 LYS CA C 55.931 0.300 1 1059 204 89 LYS CB C 28.814 0.300 1 1060 204 89 LYS CG C 21.498 0.300 1 1061 204 89 LYS CD C 26.099 0.300 1 1062 204 89 LYS CE C 40.472 0.300 1 1063 204 89 LYS N N 120.307 0.300 1 1064 205 90 CYS H H 7.878 0.020 1 1065 205 90 CYS HA H 3.993 0.020 1 1066 205 90 CYS HB2 H 2.356 0.020 1 1067 205 90 CYS HB3 H 3.212 0.020 1 1068 205 90 CYS C C 176.942 0.300 1 1069 205 90 CYS CA C 62.844 0.300 1 1070 205 90 CYS CB C 25.630 0.300 1 1071 205 90 CYS N N 118.159 0.300 1 1072 206 91 CYS H H 7.650 0.020 1 1073 206 91 CYS HA H 3.630 0.020 1 1074 206 91 CYS HB2 H 2.563 0.020 1 1075 206 91 CYS HB3 H 2.948 0.020 1 1076 206 91 CYS C C 176.922 0.300 1 1077 206 91 CYS CA C 63.319 0.300 1 1078 206 91 CYS CB C 25.339 0.300 1 1079 206 91 CYS N N 118.370 0.300 1 1080 207 92 GLU H H 7.503 0.020 1 1081 207 92 GLU HA H 3.877 0.020 1 1082 207 92 GLU HB2 H 1.885 0.020 1 1083 207 92 GLU HB3 H 1.941 0.020 1 1084 207 92 GLU HG2 H 1.965 0.020 1 1085 207 92 GLU HG3 H 2.284 0.020 1 1086 207 92 GLU C C 179.000 0.300 1 1087 207 92 GLU CA C 57.869 0.300 1 1088 207 92 GLU CB C 29.559 0.300 1 1089 207 92 GLU CG C 34.792 0.300 1 1090 207 92 GLU N N 119.642 0.300 1 1091 208 93 PHE H H 8.765 0.020 1 1092 208 93 PHE HA H 4.054 0.020 1 1093 208 93 PHE HB2 H 1.644 0.020 1 1094 208 93 PHE HB3 H 2.238 0.020 1 1095 208 93 PHE HD1 H 6.638 0.020 3 1096 208 93 PHE HD2 H 6.638 0.020 3 1097 208 93 PHE HE1 H 7.142 0.020 3 1098 208 93 PHE HE2 H 7.142 0.020 3 1099 208 93 PHE HZ H 7.283 0.020 1 1100 208 93 PHE C C 178.764 0.300 1 1101 208 93 PHE CA C 57.114 0.300 1 1102 208 93 PHE CB C 36.058 0.300 1 1103 208 93 PHE CD1 C 128.919 0.300 1 1104 208 93 PHE CE1 C 129.494 0.300 1 1105 208 93 PHE N N 118.988 0.300 1 1106 209 94 TYR H H 7.689 0.020 1 1107 209 94 TYR HA H 4.950 0.020 1 1108 209 94 TYR HB2 H 2.472 0.020 1 1109 209 94 TYR HB3 H 3.274 0.020 1 1110 209 94 TYR HD1 H 7.102 0.020 3 1111 209 94 TYR HD2 H 7.102 0.020 3 1112 209 94 TYR HE1 H 6.906 0.020 3 1113 209 94 TYR HE2 H 6.906 0.020 3 1114 209 94 TYR HH H 7.701 0.020 1 1115 209 94 TYR C C 173.939 0.300 1 1116 209 94 TYR CA C 55.625 0.300 1 1117 209 94 TYR CB C 36.477 0.300 1 1118 209 94 TYR N N 114.308 0.300 1 1119 210 95 ARG H H 7.378 0.020 1 1120 210 95 ARG HA H 3.920 0.020 1 1121 210 95 ARG HB2 H 1.821 0.020 1 1122 210 95 ARG HB3 H 1.955 0.020 1 1123 210 95 ARG HG2 H 1.440 0.020 1 1124 210 95 ARG HG3 H 1.501 0.020 1 1125 210 95 ARG HD2 H 3.105 0.020 1 1126 210 95 ARG HD3 H 3.132 0.020 1 1127 210 95 ARG C C 176.069 0.300 1 1128 210 95 ARG CA C 55.945 0.300 1 1129 210 95 ARG CB C 25.648 0.300 1 1130 210 95 ARG CG C 27.009 0.300 1 1131 210 95 ARG CD C 42.865 0.300 1 1132 210 95 ARG N N 116.758 0.300 1 1133 211 96 LEU H H 7.443 0.020 1 1134 211 96 LEU HA H 4.344 0.020 1 1135 211 96 LEU HB2 H 1.283 0.020 1 1136 211 96 LEU HB3 H 1.704 0.020 1 1137 211 96 LEU HG H 1.531 0.020 1 1138 211 96 LEU HD1 H 0.639 0.020 2 1139 211 96 LEU HD2 H 0.746 0.020 2 1140 211 96 LEU C C 176.928 0.300 1 1141 211 96 LEU CA C 53.165 0.300 1 1142 211 96 LEU CB C 41.104 0.300 1 1143 211 96 LEU CG C 25.947 0.300 1 1144 211 96 LEU CD1 C 24.931 0.300 1 1145 211 96 LEU CD2 C 22.107 0.300 1 1146 211 96 LEU N N 116.534 0.300 1 1147 212 97 ALA H H 8.293 0.020 1 1148 212 97 ALA HA H 4.317 0.020 1 1149 212 97 ALA HB H 1.328 0.020 1 1150 212 97 ALA C C 177.274 0.300 1 1151 212 97 ALA CA C 51.258 0.300 1 1152 212 97 ALA CB C 18.897 0.300 1 1153 212 97 ALA N N 124.667 0.300 1 1154 213 98 GLY H H 8.081 0.020 1 1155 213 98 GLY HA2 H 3.896 0.020 1 1156 213 98 GLY HA3 H 4.089 0.020 1 1157 213 98 GLY C C 174.664 0.300 1 1158 213 98 GLY CA C 44.507 0.300 1 1159 213 98 GLY N N 107.204 0.300 1 1160 214 99 THR H H 8.111 0.020 1 1161 214 99 THR HA H 4.322 0.020 1 1162 214 99 THR HB H 4.299 0.020 1 1163 214 99 THR HG2 H 1.137 0.020 1 1164 214 99 THR C C 175.344 0.300 1 1165 214 99 THR CA C 61.101 0.300 1 1166 214 99 THR CB C 69.257 0.300 1 1167 214 99 THR CG2 C 21.282 0.300 1 1168 214 99 THR N N 112.671 0.300 1 1169 215 100 SER H H 8.596 0.020 1 1170 215 100 SER HA H 4.377 0.020 1 1171 215 100 SER HB2 H 3.815 0.020 1 1172 215 100 SER HB3 H 3.863 0.020 1 1173 215 100 SER C C 175.099 0.300 1 1174 215 100 SER CA C 58.498 0.300 1 1175 215 100 SER CB C 62.877 0.300 1 1176 215 100 SER N N 118.318 0.300 1 1177 216 101 SER H H 8.304 0.020 1 1178 216 101 SER HA H 4.372 0.020 1 1179 216 101 SER HB2 H 3.816 0.020 2 1180 216 101 SER HB3 H 3.816 0.020 2 1181 216 101 SER C C 174.710 0.300 1 1182 216 101 SER CA C 58.370 0.300 1 1183 216 101 SER CB C 62.974 0.300 1 1184 216 101 SER N N 117.756 0.300 1 1185 217 102 CYS H H 8.157 0.020 1 1186 217 102 CYS HA H 4.427 0.020 1 1187 217 102 CYS HB2 H 2.850 0.020 2 1188 217 102 CYS HB3 H 2.850 0.020 2 1189 217 102 CYS C C 174.742 0.300 1 1190 217 102 CYS CA C 58.170 0.300 1 1191 217 102 CYS CB C 27.198 0.300 1 1192 217 102 CYS N N 120.827 0.300 1 1193 218 103 ILE H H 8.064 0.020 1 1194 218 103 ILE HA H 4.070 0.020 1 1195 218 103 ILE HB H 1.801 0.020 1 1196 218 103 ILE HG12 H 1.114 0.020 1 1197 218 103 ILE HG13 H 1.398 0.020 1 1198 218 103 ILE HG2 H 0.827 0.020 1 1199 218 103 ILE HD1 H 0.766 0.020 1 1200 218 103 ILE C C 176.242 0.300 1 1201 218 103 ILE CA C 60.910 0.300 1 1202 218 103 ILE CB C 37.883 0.300 1 1203 218 103 ILE CG1 C 26.732 0.300 1 1204 218 103 ILE CG2 C 16.963 0.300 1 1205 218 103 ILE CD1 C 12.214 0.300 1 1206 218 103 ILE N N 122.845 0.300 1 1207 219 104 GLU H H 8.327 0.020 1 1208 219 104 GLU HA H 4.178 0.020 1 1209 219 104 GLU HB2 H 1.885 0.020 1 1210 219 104 GLU HB3 H 1.974 0.020 1 1211 219 104 GLU HG2 H 2.202 0.020 2 1212 219 104 GLU HG3 H 2.202 0.020 2 1213 219 104 GLU C C 176.967 0.300 1 1214 219 104 GLU CA C 56.208 0.300 1 1215 219 104 GLU CB C 29.348 0.300 1 1216 219 104 GLU CG C 35.485 0.300 1 1217 219 104 GLU N N 124.063 0.300 1 1218 220 105 GLY H H 8.201 0.020 1 1219 220 105 GLY HA2 H 3.848 0.020 1 1220 220 105 GLY HA3 H 3.971 0.020 1 1221 220 105 GLY C C 174.252 0.300 1 1222 220 105 GLY CA C 44.543 0.300 1 1223 220 105 GLY N N 110.451 0.300 1 1224 221 106 GLU H H 8.175 0.020 1 1225 221 106 GLU HA H 4.258 0.020 1 1226 221 106 GLU HB2 H 2.011 0.020 2 1227 221 106 GLU HB3 H 2.011 0.020 2 1228 221 106 GLU HG2 H 2.184 0.020 2 1229 221 106 GLU HG3 H 2.184 0.020 2 1230 221 106 GLU C C 176.507 0.300 1 1231 221 106 GLU CA C 55.766 0.300 1 1232 221 106 GLU CB C 29.589 0.300 1 1233 221 106 GLU CG C 35.528 0.300 1 1234 221 106 GLU N N 120.960 0.300 1 1235 222 107 ASP H H 8.437 0.020 1 1236 222 107 ASP HA H 4.563 0.020 1 1237 222 107 ASP HB2 H 2.645 0.020 2 1238 222 107 ASP HB3 H 2.645 0.020 2 1239 222 107 ASP C C 176.898 0.300 1 1240 222 107 ASP CA C 53.712 0.300 1 1241 222 107 ASP CB C 40.715 0.300 1 1242 222 107 ASP N N 121.695 0.300 1 1243 223 108 GLY H H 8.345 0.020 1 1244 223 108 GLY HA2 H 3.980 0.020 2 1245 223 108 GLY HA3 H 3.980 0.020 2 1246 223 108 GLY C C 174.853 0.300 1 1247 223 108 GLY CA C 44.823 0.300 1 1248 223 108 GLY N N 110.472 0.300 1 1249 224 109 SER H H 8.322 0.020 1 1250 224 109 SER HA H 4.247 0.020 1 1251 224 109 SER HB2 H 3.808 0.020 1 1252 224 109 SER HB3 H 3.864 0.020 1 1253 224 109 SER C C 175.298 0.300 1 1254 224 109 SER CA C 58.905 0.300 1 1255 224 109 SER CB C 62.882 0.300 1 1256 224 109 SER N N 116.735 0.300 1 1257 225 110 GLU H H 8.703 0.020 1 1258 225 110 GLU HA H 4.266 0.020 1 1259 225 110 GLU HB2 H 1.914 0.020 1 1260 225 110 GLU HB3 H 1.989 0.020 1 1261 225 110 GLU HG2 H 2.203 0.020 2 1262 225 110 GLU HG3 H 2.203 0.020 2 1263 225 110 GLU C C 177.613 0.300 1 1264 225 110 GLU CA C 57.092 0.300 1 1265 225 110 GLU CB C 29.000 0.300 1 1266 225 110 GLU CG C 35.823 0.300 1 1267 225 110 GLU N N 123.073 0.300 1 1268 226 111 THR H H 8.032 0.020 1 1269 226 111 THR HA H 4.217 0.020 1 1270 226 111 THR HB H 4.295 0.020 1 1271 226 111 THR HG2 H 1.138 0.020 1 1272 226 111 THR C C 175.532 0.300 1 1273 226 111 THR CA C 61.882 0.300 1 1274 226 111 THR CB C 69.305 0.300 1 1275 226 111 THR CG2 C 21.193 0.300 1 1276 226 111 THR N N 114.304 0.300 1 1277 227 112 LYS H H 8.263 0.020 1 1278 227 112 LYS HA H 3.763 0.020 1 1279 227 112 LYS HB2 H 1.747 0.020 1 1280 227 112 LYS HB3 H 1.779 0.020 1 1281 227 112 LYS HG2 H 1.241 0.020 2 1282 227 112 LYS HG3 H 1.241 0.020 2 1283 227 112 LYS HD2 H 1.493 0.020 2 1284 227 112 LYS HD3 H 1.493 0.020 2 1285 227 112 LYS HE2 H 2.687 0.020 2 1286 227 112 LYS HE3 H 2.687 0.020 2 1287 227 112 LYS C C 178.611 0.300 1 1288 227 112 LYS CA C 58.732 0.300 1 1289 227 112 LYS CB C 31.499 0.300 1 1290 227 112 LYS CG C 24.058 0.300 1 1291 227 112 LYS CD C 28.807 0.300 1 1292 227 112 LYS N N 122.454 0.300 1 1293 228 113 GLU H H 8.494 0.020 1 1294 228 113 GLU HA H 3.967 0.020 1 1295 228 113 GLU HB2 H 1.898 0.020 1 1296 228 113 GLU HB3 H 1.966 0.020 1 1297 228 113 GLU HG2 H 2.202 0.020 1 1298 228 113 GLU HG3 H 2.255 0.020 1 1299 228 113 GLU C C 178.519 0.300 1 1300 228 113 GLU CA C 58.678 0.300 1 1301 228 113 GLU CB C 28.323 0.300 1 1302 228 113 GLU CG C 35.623 0.300 1 1303 228 113 GLU N N 121.502 0.300 1 1304 229 114 GLU H H 8.040 0.020 1 1305 229 114 GLU HA H 3.968 0.020 1 1306 229 114 GLU HB2 H 1.914 0.020 1 1307 229 114 GLU HB3 H 1.998 0.020 1 1308 229 114 GLU HG2 H 2.185 0.020 1 1309 229 114 GLU HG3 H 2.257 0.020 1 1310 229 114 GLU C C 178.846 0.300 1 1311 229 114 GLU CA C 58.522 0.300 1 1312 229 114 GLU CB C 28.776 0.300 1 1313 229 114 GLU CG C 35.733 0.300 1 1314 229 114 GLU N N 121.484 0.300 1 1315 230 115 ARG H H 8.082 0.020 1 1316 230 115 ARG HA H 3.548 0.020 1 1317 230 115 ARG HB2 H 1.110 0.020 1 1318 230 115 ARG HB3 H 1.530 0.020 1 1319 230 115 ARG HG2 H 0.204 0.020 1 1320 230 115 ARG HG3 H 1.201 0.020 1 1321 230 115 ARG HD2 H 2.285 0.020 1 1322 230 115 ARG HD3 H 2.414 0.020 1 1323 230 115 ARG HE H 6.631 0.020 1 1324 230 115 ARG C C 178.269 0.300 1 1325 230 115 ARG CA C 59.461 0.300 1 1326 230 115 ARG CB C 29.918 0.300 1 1327 230 115 ARG CG C 26.742 0.300 1 1328 230 115 ARG CD C 43.176 0.300 1 1329 230 115 ARG N N 118.243 0.300 1 1330 230 115 ARG NE N 110.641 0.300 1 1331 231 116 THR H H 7.918 0.020 1 1332 231 116 THR HA H 3.580 0.020 1 1333 231 116 THR HB H 4.187 0.020 1 1334 231 116 THR HG2 H 1.009 0.020 1 1335 231 116 THR C C 175.565 0.300 1 1336 231 116 THR CA C 67.149 0.300 1 1337 231 116 THR CB C 67.990 0.300 1 1338 231 116 THR CG2 C 20.459 0.300 1 1339 231 116 THR N N 115.469 0.300 1 1340 232 117 GLN H H 7.780 0.020 1 1341 232 117 GLN HA H 3.952 0.020 1 1342 232 117 GLN HB2 H 2.048 0.020 1 1343 232 117 GLN HB3 H 2.105 0.020 1 1344 232 117 GLN HG2 H 2.332 0.020 1 1345 232 117 GLN HG3 H 2.434 0.020 1 1346 232 117 GLN HE21 H 6.720 0.020 1 1347 232 117 GLN HE22 H 7.414 0.020 1 1348 232 117 GLN C C 178.653 0.300 1 1349 232 117 GLN CA C 58.623 0.300 1 1350 232 117 GLN CB C 27.649 0.300 1 1351 232 117 GLN CG C 33.258 0.300 1 1352 232 117 GLN N N 120.945 0.300 1 1353 232 117 GLN NE2 N 112.351 0.300 1 1354 233 118 ILE H H 8.023 0.020 1 1355 233 118 ILE HA H 3.681 0.020 1 1356 233 118 ILE HB H 1.963 0.020 1 1357 233 118 ILE HG12 H 1.171 0.020 1 1358 233 118 ILE HG13 H 1.824 0.020 1 1359 233 118 ILE HG2 H 0.984 0.020 1 1360 233 118 ILE HD1 H 0.884 0.020 1 1361 233 118 ILE C C 179.692 0.300 1 1362 233 118 ILE CA C 64.254 0.300 1 1363 233 118 ILE CB C 37.987 0.300 1 1364 233 118 ILE CG1 C 28.737 0.300 1 1365 233 118 ILE CG2 C 17.256 0.300 1 1366 233 118 ILE CD1 C 13.577 0.300 1 1367 233 118 ILE N N 119.595 0.300 1 1368 234 119 LEU H H 8.236 0.020 1 1369 234 119 LEU HA H 4.115 0.020 1 1370 234 119 LEU HB2 H 1.494 0.020 1 1371 234 119 LEU HB3 H 2.120 0.020 1 1372 234 119 LEU HG H 2.071 0.020 1 1373 234 119 LEU HD1 H 0.920 0.020 2 1374 234 119 LEU HD2 H 1.041 0.020 2 1375 234 119 LEU C C 181.742 0.300 1 1376 234 119 LEU CA C 57.189 0.300 1 1377 234 119 LEU CB C 41.180 0.300 1 1378 234 119 LEU CG C 26.953 0.300 1 1379 234 119 LEU CD1 C 22.412 0.300 1 1380 234 119 LEU CD2 C 26.099 0.300 1 1381 234 119 LEU N N 119.056 0.300 1 1382 235 120 GLN H H 9.072 0.020 1 1383 235 120 GLN HA H 3.941 0.020 1 1384 235 120 GLN HB2 H 1.878 0.020 1 1385 235 120 GLN HB3 H 1.946 0.020 1 1386 235 120 GLN HG2 H 1.873 0.020 1 1387 235 120 GLN HG3 H 2.093 0.020 1 1388 235 120 GLN HE21 H 6.556 0.020 1 1389 235 120 GLN HE22 H 6.712 0.020 1 1390 235 120 GLN C C 178.525 0.300 1 1391 235 120 GLN CA C 59.013 0.300 1 1392 235 120 GLN CB C 27.536 0.300 1 1393 235 120 GLN CG C 33.329 0.300 1 1394 235 120 GLN N N 122.993 0.300 1 1395 235 120 GLN NE2 N 110.653 0.300 1 1396 236 121 LYS H H 7.822 0.020 1 1397 236 121 LYS HA H 4.202 0.020 1 1398 236 121 LYS HB2 H 1.844 0.020 1 1399 236 121 LYS HB3 H 1.923 0.020 1 1400 236 121 LYS HG2 H 1.456 0.020 1 1401 236 121 LYS HG3 H 1.536 0.020 1 1402 236 121 LYS HD2 H 1.608 0.020 2 1403 236 121 LYS HD3 H 1.608 0.020 2 1404 236 121 LYS HE2 H 2.918 0.020 2 1405 236 121 LYS HE3 H 2.918 0.020 2 1406 236 121 LYS C C 177.863 0.300 1 1407 236 121 LYS CA C 56.820 0.300 1 1408 236 121 LYS CB C 31.654 0.300 1 1409 236 121 LYS CG C 24.576 0.300 1 1410 236 121 LYS CD C 28.577 0.300 1 1411 236 121 LYS CE C 41.577 0.300 1 1412 236 121 LYS N N 118.189 0.300 1 1413 237 122 SER H H 7.441 0.020 1 1414 237 122 SER HA H 4.183 0.020 1 1415 237 122 SER HB2 H 3.795 0.020 1 1416 237 122 SER HB3 H 4.160 0.020 1 1417 237 122 SER HG H 5.652 0.020 1 1418 237 122 SER C C 174.881 0.300 1 1419 237 122 SER CA C 59.822 0.300 1 1420 237 122 SER CB C 64.871 0.300 1 1421 237 122 SER N N 113.901 0.300 1 1422 238 123 GLY H H 7.705 0.020 1 1423 238 123 GLY HA2 H 3.749 0.020 1 1424 238 123 GLY HA3 H 4.189 0.020 1 1425 238 123 GLY C C 174.027 0.300 1 1426 238 123 GLY CA C 44.732 0.300 1 1427 238 123 GLY N N 108.675 0.300 1 1428 239 124 LEU H H 7.583 0.020 1 1429 239 124 LEU HA H 3.810 0.020 1 1430 239 124 LEU HB2 H 0.841 0.020 1 1431 239 124 LEU HB3 H 1.357 0.020 1 1432 239 124 LEU HG H 1.096 0.020 1 1433 239 124 LEU HD1 H 0.140 0.020 2 1434 239 124 LEU HD2 H 0.301 0.020 2 1435 239 124 LEU C C 176.025 0.300 1 1436 239 124 LEU CA C 55.585 0.300 1 1437 239 124 LEU CB C 43.458 0.300 1 1438 239 124 LEU CG C 25.836 0.300 1 1439 239 124 LEU CD1 C 21.271 0.300 1 1440 239 124 LEU CD2 C 23.079 0.300 1 1441 239 124 LEU N N 121.210 0.300 1 1442 240 125 LYS H H 7.900 0.020 1 1443 240 125 LYS HA H 4.470 0.020 1 1444 240 125 LYS HB2 H 1.191 0.020 1 1445 240 125 LYS HB3 H 1.739 0.020 1 1446 240 125 LYS HG2 H 1.329 0.020 1 1447 240 125 LYS HG3 H 1.455 0.020 1 1448 240 125 LYS HD2 H 1.590 0.020 2 1449 240 125 LYS HD3 H 1.590 0.020 2 1450 240 125 LYS HE2 H 3.026 0.020 1 1451 240 125 LYS HE3 H 3.060 0.020 1 1452 240 125 LYS C C 172.990 0.300 1 1453 240 125 LYS CA C 54.599 0.300 1 1454 240 125 LYS CB C 35.551 0.300 1 1455 240 125 LYS CG C 24.991 0.300 1 1456 240 125 LYS CD C 28.541 0.300 1 1457 240 125 LYS CE C 41.996 0.300 1 1458 240 125 LYS N N 121.653 0.300 1 1459 241 126 PHE H H 8.085 0.020 1 1460 241 126 PHE HA H 5.435 0.020 1 1461 241 126 PHE HB2 H 2.557 0.020 1 1462 241 126 PHE HB3 H 2.772 0.020 1 1463 241 126 PHE HD1 H 7.201 0.020 3 1464 241 126 PHE HD2 H 7.201 0.020 3 1465 241 126 PHE HE1 H 7.086 0.020 3 1466 241 126 PHE HE2 H 7.086 0.020 3 1467 241 126 PHE HZ H 6.866 0.020 1 1468 241 126 PHE C C 174.807 0.300 1 1469 241 126 PHE CA C 54.993 0.300 1 1470 241 126 PHE CB C 42.072 0.300 1 1471 241 126 PHE CD1 C 132.573 0.300 1 1472 241 126 PHE CE1 C 131.155 0.300 1 1473 241 126 PHE CZ C 128.253 0.300 1 1474 241 126 PHE N N 117.758 0.300 1 1475 242 127 TYR H H 9.618 0.020 1 1476 242 127 TYR HA H 5.684 0.020 1 1477 242 127 TYR HB2 H 2.539 0.020 1 1478 242 127 TYR HB3 H 2.864 0.020 1 1479 242 127 TYR HD1 H 6.589 0.020 3 1480 242 127 TYR HD2 H 6.589 0.020 3 1481 242 127 TYR HE1 H 6.477 0.020 3 1482 242 127 TYR HE2 H 6.477 0.020 3 1483 242 127 TYR C C 175.865 0.300 1 1484 242 127 TYR CA C 55.020 0.300 1 1485 242 127 TYR CB C 43.647 0.300 1 1486 242 127 TYR CD1 C 132.924 0.300 1 1487 242 127 TYR CE1 C 117.827 0.300 1 1488 242 127 TYR N N 119.180 0.300 1 1489 243 128 THR H H 8.936 0.020 1 1490 243 128 THR HA H 5.235 0.020 1 1491 243 128 THR HB H 4.016 0.020 1 1492 243 128 THR HG2 H 1.085 0.020 1 1493 243 128 THR C C 173.332 0.300 1 1494 243 128 THR CA C 59.461 0.300 1 1495 243 128 THR CB C 70.525 0.300 1 1496 243 128 THR CG2 C 18.073 0.300 1 1497 243 128 THR N N 113.693 0.300 1 1498 244 129 LYS H H 8.025 0.020 1 1499 244 129 LYS HA H 4.621 0.020 1 1500 244 129 LYS HB2 H 1.401 0.020 1 1501 244 129 LYS HB3 H 1.861 0.020 1 1502 244 129 LYS HG2 H 1.301 0.020 1 1503 244 129 LYS HG3 H 1.550 0.020 1 1504 244 129 LYS C C 177.008 0.300 1 1505 244 129 LYS CA C 56.686 0.300 1 1506 244 129 LYS CB C 34.400 0.300 1 1507 244 129 LYS CG C 26.239 0.300 1 1508 244 129 LYS N N 122.628 0.300 1 1509 245 130 THR H H 8.170 0.020 1 1510 245 130 THR HA H 4.854 0.020 1 1511 245 130 THR HB H 3.799 0.020 1 1512 245 130 THR HG2 H 0.869 0.020 1 1513 245 130 THR C C 171.922 0.300 1 1514 245 130 THR CA C 58.743 0.300 1 1515 245 130 THR CB C 69.555 0.300 1 1516 245 130 THR CG2 C 19.383 0.300 1 1517 245 130 THR N N 116.527 0.300 1 1518 246 131 PHE H H 8.199 0.020 1 1519 246 131 PHE HA H 4.898 0.020 1 1520 246 131 PHE HB2 H 2.502 0.020 1 1521 246 131 PHE HB3 H 3.047 0.020 1 1522 246 131 PHE HD1 H 7.222 0.020 3 1523 246 131 PHE HD2 H 7.222 0.020 3 1524 246 131 PHE C C 173.236 0.300 1 1525 246 131 PHE CA C 55.063 0.300 1 1526 246 131 PHE CB C 40.055 0.300 1 1527 246 131 PHE CD1 C 130.971 0.300 1 1528 246 131 PHE N N 126.121 0.300 1 1529 247 132 PRO HA H 4.424 0.020 1 1530 247 132 PRO HB2 H 1.766 0.020 1 1531 247 132 PRO HB3 H 2.319 0.020 1 1532 247 132 PRO HG2 H 1.943 0.020 1 1533 247 132 PRO HG3 H 2.008 0.020 1 1534 247 132 PRO HD2 H 3.713 0.020 1 1535 247 132 PRO HD3 H 3.890 0.020 1 1536 247 132 PRO C C 177.168 0.300 1 1537 247 132 PRO CA C 61.916 0.300 1 1538 247 132 PRO CB C 31.320 0.300 1 1539 247 132 PRO CG C 26.918 0.300 1 1540 247 132 PRO CD C 49.807 0.300 1 1541 248 133 TYR H H 8.543 0.020 1 1542 248 133 TYR HA H 4.293 0.020 1 1543 248 133 TYR HB2 H 2.828 0.020 1 1544 248 133 TYR HB3 H 3.052 0.020 1 1545 248 133 TYR HD1 H 7.050 0.020 3 1546 248 133 TYR HD2 H 7.050 0.020 3 1547 248 133 TYR HE1 H 6.753 0.020 3 1548 248 133 TYR HE2 H 6.753 0.020 3 1549 248 133 TYR C C 176.121 0.300 1 1550 248 133 TYR CA C 58.461 0.300 1 1551 248 133 TYR CB C 37.728 0.300 1 1552 248 133 TYR CD1 C 133.237 0.300 1 1553 248 133 TYR CE1 C 118.313 0.300 1 1554 248 133 TYR N N 123.884 0.300 1 1555 249 134 ASN H H 8.301 0.020 1 1556 249 134 ASN HA H 4.219 0.020 1 1557 249 134 ASN HB2 H 2.312 0.020 1 1558 249 134 ASN HB3 H 2.745 0.020 1 1559 249 134 ASN HD21 H 6.689 0.020 1 1560 249 134 ASN HD22 H 7.403 0.020 1 1561 249 134 ASN C C 174.689 0.300 1 1562 249 134 ASN CA C 52.124 0.300 1 1563 249 134 ASN CB C 36.735 0.300 1 1564 249 134 ASN N N 119.850 0.300 1 1565 249 134 ASN ND2 N 112.167 0.300 1 1566 250 135 THR H H 7.399 0.020 1 1567 250 135 THR HA H 4.181 0.020 1 1568 250 135 THR HB H 3.989 0.020 1 1569 250 135 THR HG2 H 1.115 0.020 1 1570 250 135 THR C C 174.272 0.300 1 1571 250 135 THR CA C 62.513 0.300 1 1572 250 135 THR CB C 68.869 0.300 1 1573 250 135 THR CG2 C 20.973 0.300 1 1574 250 135 THR N N 114.981 0.300 1 1575 251 136 THR H H 8.269 0.020 1 1576 251 136 THR HA H 4.163 0.020 1 1577 251 136 THR HB H 4.249 0.020 1 1578 251 136 THR HG2 H 0.952 0.020 1 1579 251 136 THR C C 173.663 0.300 1 1580 251 136 THR CA C 60.788 0.300 1 1581 251 136 THR CB C 68.951 0.300 1 1582 251 136 THR CG2 C 20.764 0.300 1 1583 251 136 THR N N 115.300 0.300 1 1584 252 137 HIS H H 7.725 0.020 1 1585 252 137 HIS HA H 4.816 0.020 1 1586 252 137 HIS HB2 H 2.956 0.020 1 1587 252 137 HIS HB3 H 3.107 0.020 1 1588 252 137 HIS HD2 H 7.085 0.020 1 1589 252 137 HIS C C 173.759 0.300 1 1590 252 137 HIS CA C 53.873 0.300 1 1591 252 137 HIS CB C 30.360 0.300 1 1592 252 137 HIS CD2 C 120.060 0.300 1 1593 252 137 HIS N N 119.693 0.300 1 1594 253 138 ILE H H 8.191 0.020 1 1595 253 138 ILE HA H 3.691 0.020 1 1596 253 138 ILE HB H 1.779 0.020 1 1597 253 138 ILE HG12 H 1.079 0.020 1 1598 253 138 ILE HG13 H 1.401 0.020 1 1599 253 138 ILE HG2 H 0.762 0.020 1 1600 253 138 ILE HD1 H 0.712 0.020 1 1601 253 138 ILE C C 175.106 0.300 1 1602 253 138 ILE CA C 61.167 0.300 1 1603 253 138 ILE CB C 36.861 0.300 1 1604 253 138 ILE CG1 C 27.125 0.300 1 1605 253 138 ILE CG2 C 16.946 0.300 1 1606 253 138 ILE CD1 C 12.324 0.300 1 1607 253 138 ILE N N 120.471 0.300 1 1608 254 139 MET H H 7.522 0.020 1 1609 254 139 MET HA H 4.524 0.020 1 1610 254 139 MET HB2 H 1.960 0.020 1 1611 254 139 MET HB3 H 2.085 0.020 1 1612 254 139 MET HG2 H 2.411 0.020 1 1613 254 139 MET HG3 H 2.450 0.020 1 1614 254 139 MET C C 174.422 0.300 1 1615 254 139 MET CA C 53.945 0.300 1 1616 254 139 MET CB C 33.759 0.300 1 1617 254 139 MET CG C 30.414 0.300 1 1618 254 139 MET N N 123.249 0.300 1 1619 255 140 ASP H H 8.422 0.020 1 1620 255 140 ASP HA H 4.859 0.020 1 1621 255 140 ASP HB2 H 2.534 0.020 1 1622 255 140 ASP HB3 H 2.634 0.020 1 1623 255 140 ASP C C 175.394 0.300 1 1624 255 140 ASP CA C 52.402 0.300 1 1625 255 140 ASP CB C 40.952 0.300 1 1626 255 140 ASP N N 121.034 0.300 1 1627 256 141 SER H H 8.081 0.020 1 1628 256 141 SER HA H 4.366 0.020 1 1629 256 141 SER HB2 H 2.990 0.020 1 1630 256 141 SER HB3 H 3.284 0.020 1 1631 256 141 SER C C 174.529 0.300 1 1632 256 141 SER CA C 56.090 0.300 1 1633 256 141 SER CB C 64.736 0.300 1 1634 256 141 SER N N 115.522 0.300 1 1635 257 142 LYS H H 8.571 0.020 1 1636 257 142 LYS HA H 4.100 0.020 1 1637 257 142 LYS HB2 H 1.213 0.020 1 1638 257 142 LYS HB3 H 1.508 0.020 1 1639 257 142 LYS HG2 H 0.651 0.020 1 1640 257 142 LYS HG3 H 1.035 0.020 1 1641 257 142 LYS HD2 H 0.987 0.020 2 1642 257 142 LYS HD3 H 0.987 0.020 2 1643 257 142 LYS HE2 H 2.648 0.020 2 1644 257 142 LYS HE3 H 2.648 0.020 2 1645 257 142 LYS C C 174.272 0.300 1 1646 257 142 LYS CA C 54.108 0.300 1 1647 257 142 LYS CB C 31.055 0.300 1 1648 257 142 LYS CG C 23.742 0.300 1 1649 257 142 LYS CD C 27.875 0.300 1 1650 257 142 LYS CE C 41.556 0.300 1 1651 257 142 LYS N N 126.293 0.300 1 1652 258 143 LYS H H 7.865 0.020 1 1653 258 143 LYS HA H 4.874 0.020 1 1654 258 143 LYS HB2 H 1.348 0.020 1 1655 258 143 LYS HB3 H 1.549 0.020 1 1656 258 143 LYS HG2 H 1.238 0.020 1 1657 258 143 LYS HG3 H 1.307 0.020 1 1658 258 143 LYS HD2 H 1.413 0.020 1 1659 258 143 LYS HD3 H 1.500 0.020 1 1660 258 143 LYS HE2 H 2.821 0.020 1 1661 258 143 LYS HE3 H 2.864 0.020 1 1662 258 143 LYS C C 175.063 0.300 1 1663 258 143 LYS CA C 53.561 0.300 1 1664 258 143 LYS CB C 33.044 0.300 1 1665 258 143 LYS CG C 24.166 0.300 1 1666 258 143 LYS CD C 28.283 0.300 1 1667 258 143 LYS CE C 41.551 0.300 1 1668 258 143 LYS N N 120.405 0.300 1 1669 259 144 LEU H H 8.830 0.020 1 1670 259 144 LEU HA H 5.236 0.020 1 1671 259 144 LEU HB2 H 1.168 0.020 1 1672 259 144 LEU HB3 H 1.338 0.020 1 1673 259 144 LEU HG H 1.218 0.020 1 1674 259 144 LEU HD1 H 0.228 0.020 2 1675 259 144 LEU HD2 H 0.208 0.020 2 1676 259 144 LEU C C 175.640 0.300 1 1677 259 144 LEU CA C 51.585 0.300 1 1678 259 144 LEU CB C 45.054 0.300 1 1679 259 144 LEU CG C 26.200 0.300 1 1680 259 144 LEU CD1 C 24.891 0.300 1 1681 259 144 LEU CD2 C 23.128 0.300 1 1682 259 144 LEU N N 122.622 0.300 1 1683 260 145 VAL H H 8.886 0.020 1 1684 260 145 VAL HA H 4.742 0.020 1 1685 260 145 VAL HB H 2.031 0.020 1 1686 260 145 VAL HG1 H 0.821 0.020 2 1687 260 145 VAL HG2 H 0.868 0.020 2 1688 260 145 VAL C C 174.935 0.300 1 1689 260 145 VAL CA C 58.449 0.300 1 1690 260 145 VAL CB C 34.653 0.300 1 1691 260 145 VAL CG1 C 18.612 0.300 1 1692 260 145 VAL CG2 C 21.009 0.300 1 1693 260 145 VAL N N 113.230 0.300 1 1694 261 146 GLU H H 8.824 0.020 1 1695 261 146 GLU HA H 4.299 0.020 1 1696 261 146 GLU HB2 H 1.824 0.020 2 1697 261 146 GLU HB3 H 1.824 0.020 2 1698 261 146 GLU HG2 H 2.050 0.020 2 1699 261 146 GLU HG3 H 2.050 0.020 2 1700 261 146 GLU C C 176.463 0.300 1 1701 261 146 GLU CA C 55.592 0.300 1 1702 261 146 GLU CB C 29.618 0.300 1 1703 261 146 GLU CG C 35.844 0.300 1 1704 261 146 GLU N N 125.278 0.300 1 1705 262 147 LEU H H 8.897 0.020 1 1706 262 147 LEU HA H 4.522 0.020 1 1707 262 147 LEU HB2 H 1.071 0.020 1 1708 262 147 LEU HB3 H 1.431 0.020 1 1709 262 147 LEU HG H 1.446 0.020 1 1710 262 147 LEU HD1 H 0.643 0.020 2 1711 262 147 LEU HD2 H 0.732 0.020 2 1712 262 147 LEU C C 176.570 0.300 1 1713 262 147 LEU CA C 52.439 0.300 1 1714 262 147 LEU CB C 45.305 0.300 1 1715 262 147 LEU CG C 25.824 0.300 1 1716 262 147 LEU CD1 C 24.954 0.300 1 1717 262 147 LEU CD2 C 22.945 0.300 1 1718 262 147 LEU N N 126.913 0.300 1 1719 263 148 ALA H H 8.494 0.020 1 1720 263 148 ALA HA H 4.742 0.020 1 1721 263 148 ALA HB H 1.273 0.020 1 1722 263 148 ALA C C 178.792 0.300 1 1723 263 148 ALA CA C 50.226 0.300 1 1724 263 148 ALA CB C 15.691 0.300 1 1725 263 148 ALA N N 129.950 0.300 1 1726 264 149 ILE H H 7.342 0.020 1 1727 264 149 ILE HA H 3.878 0.020 1 1728 264 149 ILE HB H 1.471 0.020 1 1729 264 149 ILE HG12 H 0.303 0.020 1 1730 264 149 ILE HG13 H 0.368 0.020 1 1731 264 149 ILE HG2 H 0.382 0.020 1 1732 264 149 ILE HD1 H 0.068 0.020 1 1733 264 149 ILE C C 177.211 0.300 1 1734 264 149 ILE CA C 62.693 0.300 1 1735 264 149 ILE CB C 37.843 0.300 1 1736 264 149 ILE CG1 C 25.109 0.300 1 1737 264 149 ILE CG2 C 18.351 0.300 1 1738 264 149 ILE CD1 C 13.559 0.300 1 1739 264 149 ILE N N 114.097 0.300 1 1740 265 150 HIS H H 8.744 0.020 1 1741 265 150 HIS HA H 4.793 0.020 1 1742 265 150 HIS HB2 H 3.029 0.020 2 1743 265 150 HIS HB3 H 3.029 0.020 2 1744 265 150 HIS HD2 H 7.118 0.020 1 1745 265 150 HIS HE1 H 7.337 0.020 1 1746 265 150 HIS C C 176.394 0.300 1 1747 265 150 HIS CA C 55.529 0.300 1 1748 265 150 HIS CB C 29.800 0.300 1 1749 265 150 HIS CD2 C 120.024 0.300 1 1750 265 150 HIS CE1 C 136.679 0.300 1 1751 265 150 HIS N N 120.461 0.300 1 1752 266 151 GLU H H 7.663 0.020 1 1753 266 151 GLU HA H 4.322 0.020 1 1754 266 151 GLU HB2 H 1.926 0.020 1 1755 266 151 GLU HB3 H 2.116 0.020 1 1756 266 151 GLU HG2 H 2.159 0.020 2 1757 266 151 GLU HG3 H 2.159 0.020 2 1758 266 151 GLU C C 176.294 0.300 1 1759 266 151 GLU CA C 57.123 0.300 1 1760 266 151 GLU CB C 31.426 0.300 1 1761 266 151 GLU CG C 35.861 0.300 1 1762 266 151 GLU N N 117.564 0.300 1 1763 267 152 LYS H H 7.111 0.020 1 1764 267 152 LYS HA H 4.611 0.020 1 1765 267 152 LYS HB2 H 1.469 0.020 1 1766 267 152 LYS HB3 H 1.713 0.020 1 1767 267 152 LYS HG2 H 1.292 0.020 1 1768 267 152 LYS HG3 H 1.489 0.020 1 1769 267 152 LYS HD2 H 1.491 0.020 2 1770 267 152 LYS HD3 H 1.491 0.020 2 1771 267 152 LYS HE2 H 2.897 0.020 2 1772 267 152 LYS HE3 H 2.897 0.020 2 1773 267 152 LYS C C 173.663 0.300 1 1774 267 152 LYS CA C 53.266 0.300 1 1775 267 152 LYS CB C 36.270 0.300 1 1776 267 152 LYS CG C 24.112 0.300 1 1777 267 152 LYS CD C 29.137 0.300 1 1778 267 152 LYS CE C 41.596 0.300 1 1779 267 152 LYS N N 115.964 0.300 1 1780 268 153 CYS H H 8.187 0.020 1 1781 268 153 CYS HA H 3.530 0.020 1 1782 268 153 CYS HB2 H 2.299 0.020 1 1783 268 153 CYS HB3 H 2.653 0.020 1 1784 268 153 CYS C C 174.187 0.300 1 1785 268 153 CYS CA C 55.834 0.300 1 1786 268 153 CYS CB C 27.334 0.300 1 1787 268 153 CYS N N 116.944 0.300 1 1788 269 154 ILE H H 8.661 0.020 1 1789 269 154 ILE HA H 3.593 0.020 1 1790 269 154 ILE HB H 1.557 0.020 1 1791 269 154 ILE HG12 H 0.762 0.020 1 1792 269 154 ILE HG13 H 1.157 0.020 1 1793 269 154 ILE HG2 H 0.804 0.020 1 1794 269 154 ILE HD1 H 0.550 0.020 1 1795 269 154 ILE C C 176.452 0.300 1 1796 269 154 ILE CA C 64.348 0.300 1 1797 269 154 ILE CB C 37.395 0.300 1 1798 269 154 ILE CG1 C 28.549 0.300 1 1799 269 154 ILE CG2 C 16.912 0.300 1 1800 269 154 ILE CD1 C 13.309 0.300 1 1801 269 154 ILE N N 120.592 0.300 1 1802 270 155 GLY H H 8.978 0.020 1 1803 270 155 GLY HA2 H 3.742 0.020 1 1804 270 155 GLY HA3 H 3.994 0.020 1 1805 270 155 GLY C C 176.762 0.300 1 1806 270 155 GLY CA C 46.662 0.300 1 1807 270 155 GLY N N 107.952 0.300 1 1808 271 156 GLU H H 7.176 0.020 1 1809 271 156 GLU HA H 4.016 0.020 1 1810 271 156 GLU HB2 H 1.965 0.020 2 1811 271 156 GLU HB3 H 1.965 0.020 2 1812 271 156 GLU HG2 H 2.133 0.020 1 1813 271 156 GLU HG3 H 2.286 0.020 1 1814 271 156 GLU C C 178.835 0.300 1 1815 271 156 GLU CA C 57.745 0.300 1 1816 271 156 GLU CB C 29.248 0.300 1 1817 271 156 GLU CG C 36.137 0.300 1 1818 271 156 GLU N N 120.440 0.300 1 1819 272 157 LEU H H 8.078 0.020 1 1820 272 157 LEU HA H 3.926 0.020 1 1821 272 157 LEU HB2 H 1.217 0.020 1 1822 272 157 LEU HB3 H 1.776 0.020 1 1823 272 157 LEU HG H 1.510 0.020 1 1824 272 157 LEU HD1 H 0.672 0.020 2 1825 272 157 LEU HD2 H 0.720 0.020 2 1826 272 157 LEU C C 178.846 0.300 1 1827 272 157 LEU CA C 56.386 0.300 1 1828 272 157 LEU CB C 41.759 0.300 1 1829 272 157 LEU CG C 25.215 0.300 1 1830 272 157 LEU CD1 C 25.627 0.300 1 1831 272 157 LEU CD2 C 23.180 0.300 1 1832 272 157 LEU N N 120.622 0.300 1 1833 273 158 LEU H H 7.477 0.020 1 1834 273 158 LEU HA H 3.976 0.020 1 1835 273 158 LEU HB2 H 1.066 0.020 1 1836 273 158 LEU HB3 H 1.248 0.020 1 1837 273 158 LEU HG H 1.481 0.020 1 1838 273 158 LEU HD1 H 0.480 0.020 2 1839 273 158 LEU HD2 H 0.245 0.020 2 1840 273 158 LEU C C 178.344 0.300 1 1841 273 158 LEU CA C 53.667 0.300 1 1842 273 158 LEU CB C 42.670 0.300 1 1843 273 158 LEU CG C 24.737 0.300 1 1844 273 158 LEU CD1 C 23.721 0.300 1 1845 273 158 LEU CD2 C 20.551 0.300 1 1846 273 158 LEU N N 112.992 0.300 1 1847 274 159 LYS H H 6.949 0.020 1 1848 274 159 LYS HA H 3.466 0.020 1 1849 274 159 LYS HB2 H 1.732 0.020 1 1850 274 159 LYS HB3 H 1.801 0.020 1 1851 274 159 LYS HG2 H 1.444 0.020 1 1852 274 159 LYS HG3 H 1.579 0.020 1 1853 274 159 LYS HD2 H 1.646 0.020 2 1854 274 159 LYS HD3 H 1.646 0.020 2 1855 274 159 LYS HE2 H 2.846 0.020 2 1856 274 159 LYS HE3 H 2.846 0.020 2 1857 274 159 LYS C C 176.356 0.300 1 1858 274 159 LYS CA C 58.497 0.300 1 1859 274 159 LYS CB C 31.657 0.300 1 1860 274 159 LYS CG C 24.629 0.300 1 1861 274 159 LYS CD C 28.761 0.300 1 1862 274 159 LYS CE C 41.431 0.300 1 1863 274 159 LYS N N 121.628 0.300 1 1864 275 160 ASN H H 8.578 0.020 1 1865 275 160 ASN HA H 4.381 0.020 1 1866 275 160 ASN HB2 H 3.067 0.020 2 1867 275 160 ASN HB3 H 3.067 0.020 2 1868 275 160 ASN HD21 H 6.894 0.020 1 1869 275 160 ASN HD22 H 7.595 0.020 1 1870 275 160 ASN C C 174.604 0.300 1 1871 275 160 ASN CA C 54.536 0.300 1 1872 275 160 ASN CB C 36.803 0.300 1 1873 275 160 ASN N N 115.641 0.300 1 1874 275 160 ASN ND2 N 114.520 0.300 1 1875 276 161 THR H H 7.874 0.020 1 1876 276 161 THR HA H 4.860 0.020 1 1877 276 161 THR HB H 4.352 0.020 1 1878 276 161 THR HG1 H 5.792 0.020 1 1879 276 161 THR HG2 H 1.108 0.020 1 1880 276 161 THR C C 172.552 0.300 1 1881 276 161 THR CA C 60.370 0.300 1 1882 276 161 THR CB C 70.849 0.300 1 1883 276 161 THR CG2 C 20.324 0.300 1 1884 276 161 THR N N 111.337 0.300 1 1885 277 162 THR H H 8.173 0.020 1 1886 277 162 THR HA H 5.687 0.020 1 1887 277 162 THR HB H 3.854 0.020 1 1888 277 162 THR HG2 H 0.546 0.020 1 1889 277 162 THR C C 173.428 0.300 1 1890 277 162 THR CA C 60.671 0.300 1 1891 277 162 THR CB C 70.458 0.300 1 1892 277 162 THR CG2 C 20.055 0.300 1 1893 277 162 THR N N 117.355 0.300 1 1894 278 163 VAL H H 8.477 0.020 1 1895 278 163 VAL HA H 4.361 0.020 1 1896 278 163 VAL HB H 1.456 0.020 1 1897 278 163 VAL HG1 H 0.536 0.020 2 1898 278 163 VAL HG2 H 0.591 0.020 2 1899 278 163 VAL C C 173.663 0.300 1 1900 278 163 VAL CA C 57.371 0.300 1 1901 278 163 VAL CB C 34.689 0.300 1 1902 278 163 VAL CG1 C 20.661 0.300 1 1903 278 163 VAL CG2 C 19.338 0.300 1 1904 278 163 VAL N N 116.149 0.300 1 1905 279 164 ILE H H 8.588 0.020 1 1906 279 164 ILE HA H 4.270 0.020 1 1907 279 164 ILE HB H 1.781 0.020 1 1908 279 164 ILE HG12 H 0.728 0.020 1 1909 279 164 ILE HG13 H 1.184 0.020 1 1910 279 164 ILE HG2 H 0.716 0.020 1 1911 279 164 ILE HD1 H 0.723 0.020 1 1912 279 164 ILE C C 177.596 0.300 1 1913 279 164 ILE CA C 60.410 0.300 1 1914 279 164 ILE CB C 34.984 0.300 1 1915 279 164 ILE CG1 C 26.104 0.300 1 1916 279 164 ILE CG2 C 17.394 0.300 1 1917 279 164 ILE CD1 C 12.780 0.300 1 1918 279 164 ILE N N 122.968 0.300 1 1919 280 165 GLU H H 8.910 0.020 1 1920 280 165 GLU HA H 3.491 0.020 1 1921 280 165 GLU HB2 H 2.467 0.020 2 1922 280 165 GLU HB3 H 2.467 0.020 2 1923 280 165 GLU HG2 H 1.941 0.020 2 1924 280 165 GLU HG3 H 1.941 0.020 2 1925 280 165 GLU C C 173.717 0.300 1 1926 280 165 GLU CA C 63.637 0.300 1 1927 280 165 GLU CB C 27.578 0.300 1 1928 280 165 GLU CG C 34.458 0.300 1 1929 280 165 GLU N N 122.226 0.300 1 1930 281 166 PHE H H 9.169 0.020 1 1931 281 166 PHE HA H 4.994 0.020 1 1932 281 166 PHE HB2 H 3.183 0.020 1 1933 281 166 PHE HB3 H 4.110 0.020 1 1934 281 166 PHE HD1 H 6.992 0.020 3 1935 281 166 PHE HD2 H 6.992 0.020 3 1936 281 166 PHE HE1 H 7.211 0.020 3 1937 281 166 PHE HE2 H 7.211 0.020 3 1938 281 166 PHE C C 172.803 0.300 1 1939 281 166 PHE CA C 55.452 0.300 1 1940 281 166 PHE CB C 35.407 0.300 1 1941 281 166 PHE CD1 C 133.076 0.300 1 1942 281 166 PHE CE1 C 130.607 0.300 1 1943 281 166 PHE N N 118.984 0.300 1 1944 282 167 PRO HA H 4.381 0.020 1 1945 282 167 PRO HB2 H 1.466 0.020 1 1946 282 167 PRO HB3 H 2.128 0.020 1 1947 282 167 PRO HG2 H 1.369 0.020 1 1948 282 167 PRO HG3 H 1.761 0.020 1 1949 282 167 PRO HD2 H 3.307 0.020 1 1950 282 167 PRO HD3 H 4.801 0.020 1 1951 282 167 PRO C C 174.932 0.300 1 1952 282 167 PRO CA C 63.365 0.300 1 1953 282 167 PRO CB C 31.677 0.300 1 1954 282 167 PRO CG C 27.301 0.300 1 1955 282 167 PRO CD C 49.964 0.300 1 1956 283 168 THR H H 8.457 0.020 1 1957 283 168 THR HA H 5.104 0.020 1 1958 283 168 THR HB H 3.758 0.020 1 1959 283 168 THR HG1 H 5.747 0.020 1 1960 283 168 THR HG2 H 0.707 0.020 1 1961 283 168 THR C C 173.204 0.300 1 1962 283 168 THR CA C 61.568 0.300 1 1963 283 168 THR CB C 70.869 0.300 1 1964 283 168 THR CG2 C 21.963 0.300 1 1965 283 168 THR N N 118.785 0.300 1 1966 284 169 ILE H H 9.339 0.020 1 1967 284 169 ILE HA H 4.980 0.020 1 1968 284 169 ILE HB H 1.412 0.020 1 1969 284 169 ILE HG12 H 0.607 0.020 1 1970 284 169 ILE HG13 H 0.758 0.020 1 1971 284 169 ILE HG2 H 1.003 0.020 1 1972 284 169 ILE HD1 H 0.263 0.020 1 1973 284 169 ILE C C 174.710 0.300 1 1974 284 169 ILE CA C 57.049 0.300 1 1975 284 169 ILE CB C 37.563 0.300 1 1976 284 169 ILE CG1 C 25.873 0.300 1 1977 284 169 ILE CG2 C 17.225 0.300 1 1978 284 169 ILE CD1 C 9.690 0.300 1 1979 284 169 ILE N N 130.447 0.300 1 1980 285 170 PHE H H 9.418 0.020 1 1981 285 170 PHE HA H 5.421 0.020 1 1982 285 170 PHE HB2 H 2.497 0.020 1 1983 285 170 PHE HB3 H 2.850 0.020 1 1984 285 170 PHE HD1 H 6.711 0.020 3 1985 285 170 PHE HD2 H 6.711 0.020 3 1986 285 170 PHE HE1 H 6.806 0.020 3 1987 285 170 PHE HE2 H 6.806 0.020 3 1988 285 170 PHE HZ H 6.985 0.020 1 1989 285 170 PHE C C 175.501 0.300 1 1990 285 170 PHE CA C 55.781 0.300 1 1991 285 170 PHE CB C 41.295 0.300 1 1992 285 170 PHE CD1 C 131.153 0.300 1 1993 285 170 PHE CE1 C 130.784 0.300 1 1994 285 170 PHE CZ C 129.406 0.300 1 1995 285 170 PHE N N 125.680 0.300 1 1996 286 171 VAL H H 9.206 0.020 1 1997 286 171 VAL HA H 4.697 0.020 1 1998 286 171 VAL HB H 2.215 0.020 1 1999 286 171 VAL HG1 H 0.559 0.020 2 2000 286 171 VAL HG2 H 1.042 0.020 2 2001 286 171 VAL C C 174.646 0.300 1 2002 286 171 VAL CA C 60.170 0.300 1 2003 286 171 VAL CB C 33.370 0.300 1 2004 286 171 VAL CG1 C 21.577 0.300 1 2005 286 171 VAL CG2 C 21.203 0.300 1 2006 286 171 VAL N N 124.303 0.300 1 2007 287 172 ALA H H 8.627 0.020 1 2008 287 172 ALA HA H 4.714 0.020 1 2009 287 172 ALA HB H 1.369 0.020 1 2010 287 172 ALA C C 176.292 0.300 1 2011 287 172 ALA CA C 50.924 0.300 1 2012 287 172 ALA CB C 22.655 0.300 1 2013 287 172 ALA N N 125.811 0.300 1 2014 288 173 MET H H 10.216 0.020 1 2015 288 173 MET HA H 4.429 0.020 1 2016 288 173 MET HB2 H 1.919 0.020 1 2017 288 173 MET HB3 H 2.040 0.020 1 2018 288 173 MET HG2 H 2.566 0.020 1 2019 288 173 MET HG3 H 2.677 0.020 1 2020 288 173 MET HE H 2.013 0.020 1 2021 288 173 MET C C 176.068 0.300 1 2022 288 173 MET CA C 54.877 0.300 1 2023 288 173 MET CB C 31.998 0.300 1 2024 288 173 MET CG C 32.086 0.300 1 2025 288 173 MET CE C 16.350 0.300 1 2026 288 173 MET N N 122.638 0.300 1 2027 289 174 THR H H 7.113 0.020 1 2028 289 174 THR HA H 4.619 0.020 1 2029 289 174 THR HB H 4.253 0.020 1 2030 289 174 THR HG2 H 1.097 0.020 1 2031 289 174 THR C C 174.347 0.300 1 2032 289 174 THR CA C 58.338 0.300 1 2033 289 174 THR CB C 71.011 0.300 1 2034 289 174 THR CG2 C 20.814 0.300 1 2035 289 174 THR N N 132.178 0.300 1 2036 290 175 GLU H H 8.722 0.020 1 2037 290 175 GLU HA H 3.636 0.020 1 2038 290 175 GLU HB2 H 1.902 0.020 2 2039 290 175 GLU HB3 H 1.902 0.020 2 2040 290 175 GLU HG2 H 2.117 0.020 1 2041 290 175 GLU HG3 H 2.361 0.020 1 2042 290 175 GLU C C 178.931 0.300 1 2043 290 175 GLU CA C 58.451 0.300 1 2044 290 175 GLU CB C 28.560 0.300 1 2045 290 175 GLU CG C 36.201 0.300 1 2046 290 175 GLU N N 122.760 0.300 1 2047 291 176 ALA H H 7.887 0.020 1 2048 291 176 ALA HA H 4.073 0.020 1 2049 291 176 ALA HB H 1.319 0.020 1 2050 291 176 ALA C C 177.660 0.300 1 2051 291 176 ALA CA C 53.028 0.300 1 2052 291 176 ALA CB C 17.677 0.300 1 2053 291 176 ALA N N 121.257 0.300 1 2054 292 177 ASP H H 7.253 0.020 1 2055 292 177 ASP HA H 4.618 0.020 1 2056 292 177 ASP HB2 H 2.686 0.020 1 2057 292 177 ASP HB3 H 2.921 0.020 1 2058 292 177 ASP C C 176.794 0.300 1 2059 292 177 ASP CA C 53.919 0.300 1 2060 292 177 ASP CB C 41.717 0.300 1 2061 292 177 ASP N N 116.750 0.300 1 2062 293 178 LEU H H 7.058 0.020 1 2063 293 178 LEU HA H 4.353 0.020 1 2064 293 178 LEU HB2 H 0.661 0.020 1 2065 293 178 LEU HB3 H 1.567 0.020 1 2066 293 178 LEU HG H 1.248 0.020 1 2067 293 178 LEU HD1 H 0.075 0.020 2 2068 293 178 LEU HD2 H 0.297 0.020 2 2069 293 178 LEU C C 174.037 0.300 1 2070 293 178 LEU CA C 53.366 0.300 1 2071 293 178 LEU CB C 39.496 0.300 1 2072 293 178 LEU CG C 26.245 0.300 1 2073 293 178 LEU CD1 C 24.490 0.300 1 2074 293 178 LEU CD2 C 21.813 0.300 1 2075 293 178 LEU N N 121.006 0.300 1 2076 294 179 PRO HA H 4.337 0.020 1 2077 294 179 PRO HB2 H 1.779 0.020 1 2078 294 179 PRO HB3 H 2.414 0.020 1 2079 294 179 PRO HG2 H 1.729 0.020 1 2080 294 179 PRO HG3 H 1.900 0.020 1 2081 294 179 PRO HD2 H 2.657 0.020 1 2082 294 179 PRO HD3 H 3.779 0.020 1 2083 294 179 PRO C C 176.100 0.300 1 2084 294 179 PRO CA C 61.782 0.300 1 2085 294 179 PRO CB C 30.559 0.300 1 2086 294 179 PRO CG C 27.309 0.300 1 2087 294 179 PRO CD C 48.914 0.300 1 2088 295 180 GLU H H 8.410 0.020 1 2089 295 180 GLU HA H 3.973 0.020 1 2090 295 180 GLU HB2 H 1.888 0.020 1 2091 295 180 GLU HB3 H 1.972 0.020 1 2092 295 180 GLU HG2 H 2.201 0.020 1 2093 295 180 GLU HG3 H 2.249 0.020 1 2094 295 180 GLU C C 177.457 0.300 1 2095 295 180 GLU CA C 57.356 0.300 1 2096 295 180 GLU CB C 29.071 0.300 1 2097 295 180 GLU CG C 35.356 0.300 1 2098 295 180 GLU N N 122.267 0.300 1 2099 296 181 GLY H H 8.732 0.020 1 2100 296 181 GLY HA2 H 3.489 0.020 1 2101 296 181 GLY HA3 H 4.054 0.020 1 2102 296 181 GLY C C 174.123 0.300 1 2103 296 181 GLY CA C 44.180 0.300 1 2104 296 181 GLY N N 113.300 0.300 1 2105 297 182 TYR H H 7.413 0.020 1 2106 297 182 TYR HA H 4.846 0.020 1 2107 297 182 TYR HB2 H 2.133 0.020 1 2108 297 182 TYR HB3 H 2.659 0.020 1 2109 297 182 TYR HD1 H 6.634 0.020 3 2110 297 182 TYR HD2 H 6.634 0.020 3 2111 297 182 TYR HE1 H 6.629 0.020 3 2112 297 182 TYR HE2 H 6.629 0.020 3 2113 297 182 TYR C C 175.886 0.300 1 2114 297 182 TYR CA C 57.331 0.300 1 2115 297 182 TYR CB C 37.996 0.300 1 2116 297 182 TYR CD1 C 132.835 0.300 1 2117 297 182 TYR CE1 C 118.005 0.300 1 2118 297 182 TYR N N 118.700 0.300 1 2119 298 183 GLU H H 8.306 0.020 1 2120 298 183 GLU HA H 4.449 0.020 1 2121 298 183 GLU HB2 H 1.711 0.020 1 2122 298 183 GLU HB3 H 1.781 0.020 1 2123 298 183 GLU HG2 H 1.941 0.020 1 2124 298 183 GLU HG3 H 2.008 0.020 1 2125 298 183 GLU C C 173.909 0.300 1 2126 298 183 GLU CA C 53.562 0.300 1 2127 298 183 GLU CB C 32.883 0.300 1 2128 298 183 GLU CG C 35.181 0.300 1 2129 298 183 GLU N N 121.620 0.300 1 2130 299 184 VAL H H 8.512 0.020 1 2131 299 184 VAL HA H 4.076 0.020 1 2132 299 184 VAL HB H 1.634 0.020 1 2133 299 184 VAL HG1 H 0.348 0.020 2 2134 299 184 VAL HG2 H 0.642 0.020 2 2135 299 184 VAL C C 175.832 0.300 1 2136 299 184 VAL CA C 60.590 0.300 1 2137 299 184 VAL CB C 31.889 0.300 1 2138 299 184 VAL CG1 C 22.064 0.300 1 2139 299 184 VAL CG2 C 20.725 0.300 1 2140 299 184 VAL N N 124.673 0.300 1 2141 300 185 LEU H H 8.941 0.020 1 2142 300 185 LEU HA H 4.266 0.020 1 2143 300 185 LEU HB2 H 1.455 0.020 1 2144 300 185 LEU HB3 H 1.530 0.020 1 2145 300 185 LEU HG H 1.517 0.020 1 2146 300 185 LEU HD1 H 0.706 0.020 2 2147 300 185 LEU HD2 H 0.745 0.020 2 2148 300 185 LEU C C 176.206 0.300 1 2149 300 185 LEU CA C 53.710 0.300 1 2150 300 185 LEU CB C 41.236 0.300 1 2151 300 185 LEU CG C 26.246 0.300 1 2152 300 185 LEU CD1 C 22.658 0.300 1 2153 300 185 LEU CD2 C 24.635 0.300 1 2154 300 185 LEU N N 129.253 0.300 1 2155 301 186 HIS H H 8.659 0.020 1 2156 301 186 HIS HA H 4.761 0.020 1 2157 301 186 HIS HB2 H 3.053 0.020 1 2158 301 186 HIS HB3 H 3.253 0.020 1 2159 301 186 HIS HD2 H 7.248 0.020 1 2160 301 186 HIS C C 174.411 0.300 1 2161 301 186 HIS CA C 54.529 0.300 1 2162 301 186 HIS CB C 29.055 0.300 1 2163 301 186 HIS CD2 C 119.904 0.300 1 2164 301 186 HIS N N 123.217 0.300 1 2165 302 187 GLN H H 8.526 0.020 1 2166 302 187 GLN HA H 4.365 0.020 1 2167 302 187 GLN HB2 H 1.957 0.020 1 2168 302 187 GLN HB3 H 2.088 0.020 1 2169 302 187 GLN HG2 H 2.302 0.020 2 2170 302 187 GLN HG3 H 2.302 0.020 2 2171 302 187 GLN HE21 H 6.787 0.020 1 2172 302 187 GLN HE22 H 7.573 0.020 1 2173 302 187 GLN C C 174.946 0.300 1 2174 302 187 GLN CA C 55.143 0.300 1 2175 302 187 GLN CB C 29.162 0.300 1 2176 302 187 GLN CG C 33.277 0.300 1 2177 302 187 GLN N N 123.059 0.300 1 2178 302 187 GLN NE2 N 113.056 0.300 1 2179 303 188 GLU H H 8.145 0.020 1 2180 303 188 GLU HA H 4.088 0.020 1 2181 303 188 GLU HB2 H 1.848 0.020 1 2182 303 188 GLU HB3 H 2.012 0.020 1 2183 303 188 GLU HG2 H 2.171 0.020 2 2184 303 188 GLU HG3 H 2.171 0.020 2 2185 303 188 GLU C C 181.138 0.300 1 2186 303 188 GLU CA C 57.344 0.300 1 2187 303 188 GLU CB C 30.176 0.300 1 2188 303 188 GLU CG C 36.017 0.300 1 2189 303 188 GLU N N 128.522 0.300 1 stop_ save_