data_11078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the TIR domain of human MyD88 ; _BMRB_accession_number 11078 _BMRB_flat_file_name bmr11078.str _Entry_type original _Submission_date 2009-09-11 _Accession_date 2009-09-13 _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 Ohnishi H. . . 2 Tochio H. . . 3 Hiroaki H. . . 4 Kondo N. . . 5 Kato Z. . . 6 Shirakawa M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 698 "13C chemical shifts" 454 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-12 original author . stop_ _Original_release_date 2010-03-12 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the multiple interactions of the MyD88 TIR domain in TLR4 signaling. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19506249 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ohnishi Hidenori . . 2 Tochio Hidehito . . 3 Kato Zenichiro . . 4 Orii Kenji E. . 5 Li Ailian . . 6 Kimura Takeshi . . 7 Hiroaki Hidekazu . . 8 Kondo Naomi . . 9 Shirakawa Masahiro . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Procedings of the National Academy of Sciences' _Journal_volume 106 _Journal_issue 25 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10260 _Page_last 10265 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Myeloid differentiation primary response protein MyD88' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MyD88 TIR domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'MyD88 TIR domain' _Molecular_mass 17387.422 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; TTLDDPLGHMPERFDAFICY CPSDIQFVQEMIRQLEQTNY RLKLCVSDRDVLPGTCVWSI ASELIEKRCRRMVVVVSDDY LQSKECDFQTKFALSLSPGA HQKRLIPIKYKAMKKEFPSI LRFITVCDYTNPCTKSWFWT RLAKALSLP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 148 THR 2 149 THR 3 150 LEU 4 151 ASP 5 152 ASP 6 153 PRO 7 154 LEU 8 155 GLY 9 156 HIS 10 157 MET 11 158 PRO 12 159 GLU 13 160 ARG 14 161 PHE 15 162 ASP 16 163 ALA 17 164 PHE 18 165 ILE 19 166 CYS 20 167 TYR 21 168 CYS 22 169 PRO 23 170 SER 24 171 ASP 25 172 ILE 26 173 GLN 27 174 PHE 28 175 VAL 29 176 GLN 30 177 GLU 31 178 MET 32 179 ILE 33 180 ARG 34 181 GLN 35 182 LEU 36 183 GLU 37 184 GLN 38 185 THR 39 186 ASN 40 187 TYR 41 188 ARG 42 189 LEU 43 190 LYS 44 191 LEU 45 192 CYS 46 193 VAL 47 194 SER 48 195 ASP 49 196 ARG 50 197 ASP 51 198 VAL 52 199 LEU 53 200 PRO 54 201 GLY 55 202 THR 56 203 CYS 57 204 VAL 58 205 TRP 59 206 SER 60 207 ILE 61 208 ALA 62 209 SER 63 210 GLU 64 211 LEU 65 212 ILE 66 213 GLU 67 214 LYS 68 215 ARG 69 216 CYS 70 217 ARG 71 218 ARG 72 219 MET 73 220 VAL 74 221 VAL 75 222 VAL 76 223 VAL 77 224 SER 78 225 ASP 79 226 ASP 80 227 TYR 81 228 LEU 82 229 GLN 83 230 SER 84 231 LYS 85 232 GLU 86 233 CYS 87 234 ASP 88 235 PHE 89 236 GLN 90 237 THR 91 238 LYS 92 239 PHE 93 240 ALA 94 241 LEU 95 242 SER 96 243 LEU 97 244 SER 98 245 PRO 99 246 GLY 100 247 ALA 101 248 HIS 102 249 GLN 103 250 LYS 104 251 ARG 105 252 LEU 106 253 ILE 107 254 PRO 108 255 ILE 109 256 LYS 110 257 TYR 111 258 LYS 112 259 ALA 113 260 MET 114 261 LYS 115 262 LYS 116 263 GLU 117 264 PHE 118 265 PRO 119 266 SER 120 267 ILE 121 268 LEU 122 269 ARG 123 270 PHE 124 271 ILE 125 272 THR 126 273 VAL 127 274 CYS 128 275 ASP 129 276 TYR 130 277 THR 131 278 ASN 132 279 PRO 133 280 CYS 134 281 THR 135 282 LYS 136 283 SER 137 284 TRP 138 285 PHE 139 286 TRP 140 287 THR 141 288 ARG 142 289 LEU 143 290 ALA 144 291 LYS 145 292 ALA 146 293 LEU 147 294 SER 148 295 LEU 149 296 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15356 HR2869A 100.00 160 100.00 100.00 1.89e-105 PDB 2JS7 "Solution Nmr Structure Of Human Myeloid Differentiation Primary Response (Myd88). Northeast Structural Genomics Target Hr2869a" 100.00 160 100.00 100.00 1.89e-105 PDB 2Z5V "Solution Structure Of The Tir Domain Of Human Myd88" 100.00 149 100.00 100.00 2.77e-105 PDB 4EO7 "Crystal Structure Of The Tir Domain Of Human Myeloid Differentiation Primary Response Protein 88" 93.96 144 99.29 99.29 3.19e-96 DBJ BAE89833 "unnamed protein product [Macaca fascicularis]" 100.00 309 100.00 100.00 3.10e-105 DBJ BAG55247 "myeloid differentiation primary response gene 88 [Homo sapiens]" 100.00 296 100.00 100.00 1.26e-105 DBJ BAG55248 "myeloid differentiation primary response gene 88 [Pan troglodytes]" 100.00 296 100.00 100.00 1.67e-105 DBJ BAG55249 "myeloid differentiation primary response gene 88 [Pan paniscus]" 100.00 296 100.00 100.00 1.94e-105 DBJ BAG55250 "myeloid differentiation primary response gene 88 [Gorilla gorilla]" 100.00 296 100.00 100.00 1.74e-105 GB AAB49967 "MyD88 [Homo sapiens]" 100.00 296 100.00 100.00 2.17e-105 GB AAC50954 "MyD88 [Homo sapiens]" 100.00 296 100.00 100.00 1.26e-105 GB AAH13589 "Myeloid differentiation primary response gene (88) [Homo sapiens]" 100.00 296 100.00 100.00 1.26e-105 GB AAP36040 "myeloid differentiation primary response gene (88) [Homo sapiens]" 100.00 296 100.00 100.00 1.26e-105 GB AAP36509 "Homo sapiens myeloid differentiation primary response gene (88) [synthetic construct]" 100.00 297 100.00 100.00 1.31e-105 REF NP_001123935 "myeloid differentiation primary response protein MyD88 [Pan troglodytes]" 100.00 296 100.00 100.00 1.67e-105 REF NP_001124153 "myeloid differentiation primary response protein MyD88 [Macaca mulatta]" 100.00 296 100.00 100.00 2.21e-105 REF NP_001166039 "myeloid differentiation primary response protein MyD88 isoform 3 [Homo sapiens]" 98.66 264 97.28 97.96 2.05e-100 REF NP_001266118 "myeloid differentiation primary response protein MyD88 [Pan paniscus]" 100.00 296 100.00 100.00 1.94e-105 REF NP_001266529 "myeloid differentiation primary response 88 [Gorilla gorilla]" 100.00 296 100.00 100.00 1.74e-105 SP B3Y678 "RecName: Full=Myeloid differentiation primary response protein MyD88" 100.00 296 100.00 100.00 1.67e-105 SP B3Y679 "RecName: Full=Myeloid differentiation primary response protein MyD88 [Pan paniscus]" 100.00 296 100.00 100.00 1.94e-105 SP B3Y680 "RecName: Full=Myeloid differentiation primary response protein MyD88" 100.00 296 100.00 100.00 1.74e-105 SP B3Y681 "RecName: Full=Myeloid differentiation primary response protein MyD88" 100.00 296 100.00 100.00 1.74e-105 SP B3Y682 "RecName: Full=Myeloid differentiation primary response protein MyD88 [Macaca fascicularis]" 100.00 296 100.00 100.00 2.21e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity human 9606 Eukaryota Metazoa Homo sapiens MYD88 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pGEX-5X-3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.3 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' L-arginine 50 mM 'natural abundance' L-glutamate 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' DTT 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MyD88 TIR domain' _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 1 148 1 THR HA H 3.947 0.009 1 2 148 1 THR HB H 4.157 0.006 1 3 148 1 THR HG2 H 1.254 0.007 1 4 148 1 THR CA C 61.382 0.126 1 5 148 1 THR CB C 69.260 0.176 1 6 148 1 THR CG2 C 21.367 0.099 1 7 149 2 THR H H 8.741 0.011 1 8 149 2 THR HA H 4.351 0.008 1 9 149 2 THR HB H 4.163 0.008 1 10 149 2 THR HG2 H 1.175 0.006 1 11 149 2 THR CA C 62.093 0.079 1 12 149 2 THR CB C 70.004 0.223 1 13 149 2 THR CG2 C 21.758 0.095 1 14 149 2 THR N N 118.631 0.076 1 15 150 3 LEU H H 8.409 0.012 1 16 150 3 LEU HA H 4.282 0.008 1 17 150 3 LEU HB2 H 1.545 0.008 2 18 150 3 LEU HG H 1.556 0.007 1 19 150 3 LEU CA C 55.311 0.053 1 20 150 3 LEU CB C 42.297 0.056 1 21 150 3 LEU CD1 C 24.858 0.089 2 22 150 3 LEU CD2 C 23.439 0.032 2 23 150 3 LEU CG C 27.018 0.028 1 24 150 3 LEU N N 124.612 0.100 1 25 151 4 ASP H H 8.211 0.011 1 26 151 4 ASP HA H 4.513 0.008 1 27 151 4 ASP CA C 54.190 0.078 1 28 151 4 ASP CB C 41.204 0.114 1 29 151 4 ASP N N 120.728 0.071 1 30 152 5 ASP H H 8.133 0.010 1 31 152 5 ASP HA H 4.795 0.022 1 32 152 5 ASP HB2 H 2.708 0.007 2 33 152 5 ASP HB3 H 2.544 0.010 2 34 152 5 ASP CA C 52.152 0.064 1 35 152 5 ASP CB C 41.533 0.118 1 36 152 5 ASP N N 121.591 0.053 1 37 153 6 PRO HA H 4.288 0.009 1 38 153 6 PRO HB2 H 2.235 0.009 2 39 153 6 PRO HB3 H 1.862 0.012 2 40 153 6 PRO HD2 H 3.765 0.010 2 41 153 6 PRO CA C 64.220 0.114 1 42 153 6 PRO CB C 31.983 0.094 1 43 153 6 PRO CD C 50.877 0.034 1 44 153 6 PRO CG C 27.215 0.027 1 45 154 7 LEU H H 8.311 0.012 1 46 154 7 LEU HA H 4.283 0.012 1 47 154 7 LEU HB2 H 1.653 0.007 2 48 154 7 LEU HB3 H 1.493 0.011 2 49 154 7 LEU HG H 1.517 0.010 1 50 154 7 LEU CA C 55.438 0.107 1 51 154 7 LEU CB C 41.391 0.078 1 52 154 7 LEU CD1 C 24.990 0.123 2 53 154 7 LEU CD2 C 22.902 0.048 2 54 154 7 LEU CG C 27.058 0.075 1 55 154 7 LEU N N 119.103 0.068 1 56 155 8 GLY H H 8.049 0.011 1 57 155 8 GLY CA C 45.536 0.088 1 58 155 8 GLY N N 107.683 0.064 1 59 156 9 HIS H H 8.200 0.011 1 60 156 9 HIS HA H 4.642 0.009 1 61 156 9 HIS HB2 H 3.200 0.012 2 62 156 9 HIS HB3 H 3.109 0.009 2 63 156 9 HIS CA C 54.905 0.084 1 64 156 9 HIS CB C 29.345 0.180 1 65 156 9 HIS N N 117.835 0.044 1 66 157 10 MET H H 8.413 0.011 1 67 157 10 MET HA H 3.697 0.012 1 68 157 10 MET HE H 2.237 0.006 1 69 157 10 MET HG2 H 2.466 0.008 2 70 157 10 MET HG3 H 2.232 0.010 2 71 157 10 MET CA C 53.746 0.087 1 72 157 10 MET CB C 33.043 0.068 1 73 157 10 MET CE C 17.453 0.037 1 74 157 10 MET CG C 31.351 0.085 1 75 157 10 MET N N 124.217 0.114 1 76 158 11 PRO HA H 3.950 0.008 1 77 158 11 PRO HD2 H 2.724 0.012 2 78 158 11 PRO HD3 H 2.071 0.008 2 79 158 11 PRO HG2 H 1.089 0.007 2 80 158 11 PRO HG3 H 0.477 0.010 2 81 158 11 PRO CA C 62.413 0.094 1 82 158 11 PRO CB C 31.430 0.034 1 83 158 11 PRO CD C 49.672 0.069 1 84 158 11 PRO CG C 26.663 0.085 1 85 159 12 GLU H H 8.279 0.015 1 86 159 12 GLU HA H 3.819 0.008 1 87 159 12 GLU CA C 58.135 0.098 1 88 159 12 GLU CB C 30.085 0.104 1 89 159 12 GLU CG C 36.391 0.040 1 90 159 12 GLU N N 119.613 0.068 1 91 160 13 ARG H H 7.257 0.016 1 92 160 13 ARG HA H 4.698 0.013 1 93 160 13 ARG HB2 H 1.635 0.012 2 94 160 13 ARG HB3 H 1.486 0.010 2 95 160 13 ARG CA C 54.219 0.115 1 96 160 13 ARG CB C 33.168 0.095 1 97 160 13 ARG CD C 43.300 0.074 1 98 160 13 ARG CG C 26.958 0.055 1 99 160 13 ARG N N 115.748 0.051 1 100 161 14 PHE H H 9.112 0.012 1 101 161 14 PHE HA H 4.424 0.011 1 102 161 14 PHE HB2 H 3.052 0.014 2 103 161 14 PHE HB3 H 2.896 0.010 2 104 161 14 PHE HD1 H 6.779 0.000 3 105 161 14 PHE HD2 H 6.779 0.000 3 106 161 14 PHE CA C 57.206 0.160 1 107 161 14 PHE CB C 41.567 0.240 1 108 161 14 PHE N N 119.027 0.055 1 109 162 15 ASP H H 9.516 0.010 1 110 162 15 ASP HA H 4.591 0.013 1 111 162 15 ASP HB2 H 2.704 0.013 2 112 162 15 ASP HB3 H 2.419 0.007 2 113 162 15 ASP CA C 58.443 0.178 1 114 162 15 ASP CB C 42.049 0.160 1 115 162 15 ASP N N 122.704 0.122 1 116 163 16 ALA H H 7.645 0.012 1 117 163 16 ALA HA H 5.408 0.010 1 118 163 16 ALA HB H 1.149 0.010 1 119 163 16 ALA CA C 51.822 0.120 1 120 163 16 ALA CB C 22.193 0.104 1 121 163 16 ALA N N 114.560 0.064 1 122 164 17 PHE H H 7.865 0.022 1 123 164 17 PHE HA H 5.355 0.012 1 124 164 17 PHE HB2 H 3.545 0.025 2 125 164 17 PHE HB3 H 2.237 0.017 2 126 164 17 PHE HD1 H 6.959 0.009 3 127 164 17 PHE HD2 H 6.959 0.009 3 128 164 17 PHE CA C 56.006 0.157 1 129 164 17 PHE CB C 41.966 0.106 1 130 164 17 PHE N N 120.858 0.112 1 131 165 18 ILE H H 7.933 0.012 1 132 165 18 ILE HA H 4.305 0.010 1 133 165 18 ILE HB H 1.667 0.006 1 134 165 18 ILE HD1 H 0.513 0.006 1 135 165 18 ILE HG12 H 1.266 0.012 2 136 165 18 ILE HG13 H 0.777 0.010 2 137 165 18 ILE HG2 H 0.499 0.009 1 138 165 18 ILE CA C 60.455 0.123 1 139 165 18 ILE CB C 37.138 0.159 1 140 165 18 ILE CD1 C 12.872 0.059 1 141 165 18 ILE CG1 C 26.670 0.083 1 142 165 18 ILE CG2 C 17.957 0.054 1 143 165 18 ILE N N 127.321 0.064 1 144 166 19 CYS H H 9.348 0.015 1 145 166 19 CYS HA H 4.499 0.010 1 146 166 19 CYS HB2 H 3.121 0.009 2 147 166 19 CYS HB3 H 2.834 0.017 2 148 166 19 CYS CA C 58.498 0.167 1 149 166 19 CYS CB C 28.348 0.162 1 150 166 19 CYS N N 129.097 0.074 1 151 167 20 TYR H H 7.760 0.012 1 152 167 20 TYR HA H 5.050 0.014 1 153 167 20 TYR HB2 H 3.006 0.020 2 154 167 20 TYR HB3 H 2.695 0.009 2 155 167 20 TYR HD1 H 6.863 0.012 3 156 167 20 TYR HD2 H 6.863 0.012 3 157 167 20 TYR HE1 H 6.484 0.016 3 158 167 20 TYR HE2 H 6.484 0.016 3 159 167 20 TYR CA C 54.953 0.174 1 160 167 20 TYR CB C 40.995 0.061 1 161 167 20 TYR CD1 C 133.992 0.000 3 162 167 20 TYR CE1 C 117.574 0.032 3 163 167 20 TYR N N 123.717 0.066 1 164 168 21 CYS H H 10.508 0.010 1 165 168 21 CYS HA H 5.187 0.007 1 166 168 21 CYS CA C 53.941 0.083 1 167 168 21 CYS CB C 29.271 0.044 1 168 168 21 CYS N N 121.240 0.104 1 169 169 22 PRO HA H 4.250 0.008 1 170 169 22 PRO HB2 H 2.512 0.011 2 171 169 22 PRO HB3 H 1.967 0.015 2 172 169 22 PRO CA C 66.198 0.066 1 173 169 22 PRO CB C 32.198 0.043 1 174 169 22 PRO CD C 50.912 0.266 1 175 169 22 PRO CG C 27.938 0.132 1 176 170 23 SER H H 7.906 0.009 1 177 170 23 SER HA H 4.364 0.009 1 178 170 23 SER HB2 H 3.914 0.015 2 179 170 23 SER HB3 H 3.880 0.012 2 180 170 23 SER CA C 61.293 0.136 1 181 170 23 SER CB C 63.440 0.233 1 182 170 23 SER N N 112.319 0.069 1 183 171 24 ASP H H 8.431 0.011 1 184 171 24 ASP HA H 5.288 0.013 1 185 171 24 ASP HB2 H 3.202 0.014 2 186 171 24 ASP HB3 H 2.893 0.012 2 187 171 24 ASP CA C 54.630 0.094 1 188 171 24 ASP CB C 42.011 0.182 1 189 171 24 ASP N N 118.257 0.061 1 190 172 25 ILE H H 7.546 0.013 1 191 172 25 ILE HA H 3.676 0.009 1 192 172 25 ILE HB H 2.108 0.010 1 193 172 25 ILE HD1 H 0.968 0.010 1 194 172 25 ILE HG12 H 1.403 0.006 2 195 172 25 ILE HG13 H 1.164 0.009 2 196 172 25 ILE HG2 H 1.040 0.009 1 197 172 25 ILE CA C 65.011 0.085 1 198 172 25 ILE CB C 38.845 0.081 1 199 172 25 ILE CD1 C 14.370 0.085 1 200 172 25 ILE CG1 C 29.995 0.092 1 201 172 25 ILE CG2 C 16.999 0.073 1 202 172 25 ILE N N 119.580 0.075 1 203 173 26 GLN H H 8.699 0.011 1 204 173 26 GLN HA H 4.047 0.007 1 205 173 26 GLN HB2 H 2.028 0.009 2 206 173 26 GLN HE21 H 6.904 0.003 2 207 173 26 GLN HE22 H 7.630 0.002 2 208 173 26 GLN HG2 H 2.441 0.010 2 209 173 26 GLN HG3 H 2.364 0.013 2 210 173 26 GLN CA C 59.709 0.111 1 211 173 26 GLN CB C 27.613 0.109 1 212 173 26 GLN CG C 34.651 0.170 1 213 173 26 GLN N N 121.585 0.080 1 214 173 26 GLN NE2 N 112.332 0.027 1 215 174 27 PHE H H 7.794 0.013 1 216 174 27 PHE HA H 4.009 0.012 1 217 174 27 PHE HB2 H 2.406 0.010 2 218 174 27 PHE HB3 H 2.034 0.008 2 219 174 27 PHE CA C 60.982 0.167 1 220 174 27 PHE CB C 38.472 0.107 1 221 174 27 PHE N N 120.521 0.056 1 222 175 28 VAL H H 7.188 0.017 1 223 175 28 VAL HA H 2.848 0.009 1 224 175 28 VAL HB H 1.403 0.005 1 225 175 28 VAL HG1 H 0.355 0.006 1 226 175 28 VAL HG2 H 0.039 0.008 1 227 175 28 VAL CA C 67.302 0.104 1 228 175 28 VAL CB C 30.665 0.096 1 229 175 28 VAL CG1 C 24.192 0.067 2 230 175 28 VAL CG2 C 20.837 0.070 2 231 175 28 VAL N N 119.677 0.066 1 232 176 29 GLN H H 8.321 0.012 1 233 176 29 GLN HA H 3.440 0.008 1 234 176 29 GLN HB2 H 2.110 0.011 2 235 176 29 GLN HB3 H 1.767 0.015 2 236 176 29 GLN HE21 H 6.736 0.006 2 237 176 29 GLN HE22 H 7.003 0.007 2 238 176 29 GLN HG2 H 2.297 0.013 2 239 176 29 GLN HG3 H 2.111 0.006 2 240 176 29 GLN CA C 59.760 0.057 1 241 176 29 GLN CB C 28.120 0.100 1 242 176 29 GLN CG C 34.861 0.084 1 243 176 29 GLN N N 117.745 0.046 1 244 176 29 GLN NE2 N 109.462 0.069 1 245 177 30 GLU H H 7.120 0.012 1 246 177 30 GLU HA H 3.822 0.015 1 247 177 30 GLU HB2 H 1.913 0.000 2 248 177 30 GLU CA C 58.540 0.124 1 249 177 30 GLU CB C 27.814 0.446 1 250 177 30 GLU N N 120.600 0.041 1 251 178 31 MET H H 8.322 0.015 1 252 178 31 MET HB2 H 2.214 0.011 2 253 178 31 MET HB3 H 1.839 0.005 2 254 178 31 MET HE H 1.722 0.007 1 255 178 31 MET CA C 57.799 0.061 1 256 178 31 MET CB C 31.133 0.731 1 257 178 31 MET CE C 16.852 0.032 1 258 178 31 MET N N 119.457 0.077 1 259 179 32 ILE H H 8.109 0.011 1 260 179 32 ILE HA H 3.106 0.012 1 261 179 32 ILE HB H 1.471 0.008 1 262 179 32 ILE HD1 H 0.448 0.014 1 263 179 32 ILE HG12 H 1.371 0.008 2 264 179 32 ILE HG13 H 0.736 0.010 2 265 179 32 ILE HG2 H 0.641 0.008 1 266 179 32 ILE CA C 65.492 0.199 1 267 179 32 ILE CB C 37.188 0.092 1 268 179 32 ILE CD1 C 13.994 0.065 1 269 179 32 ILE CG1 C 29.031 0.058 1 270 179 32 ILE CG2 C 18.387 0.054 1 271 179 32 ILE N N 117.749 0.156 1 272 180 33 ARG H H 7.278 0.011 1 273 180 33 ARG HA H 3.818 0.010 1 274 180 33 ARG HD2 H 3.011 0.009 2 275 180 33 ARG HG2 H 1.505 0.008 2 276 180 33 ARG HG3 H 1.303 0.011 2 277 180 33 ARG CA C 59.570 0.234 1 278 180 33 ARG CB C 29.958 0.109 1 279 180 33 ARG CD C 43.300 0.042 1 280 180 33 ARG CG C 27.551 0.050 1 281 180 33 ARG N N 118.517 0.063 1 282 181 34 GLN H H 8.079 0.013 1 283 181 34 GLN HA H 3.566 0.006 1 284 181 34 GLN HB2 H 1.808 0.009 2 285 181 34 GLN HE21 H 6.552 0.006 2 286 181 34 GLN HE22 H 7.387 0.004 2 287 181 34 GLN HG2 H 0.857 0.007 2 288 181 34 GLN HG3 H 0.824 0.015 2 289 181 34 GLN CA C 58.018 0.062 1 290 181 34 GLN CB C 25.195 0.369 1 291 181 34 GLN CG C 31.766 0.074 1 292 181 34 GLN N N 116.661 0.042 1 293 181 34 GLN NE2 N 110.570 0.036 1 294 182 35 LEU H H 8.589 0.011 1 295 182 35 LEU HA H 4.029 0.013 1 296 182 35 LEU HB2 H 1.861 0.012 2 297 182 35 LEU HB3 H 1.200 0.009 2 298 182 35 LEU HD1 H 0.882 0.008 1 299 182 35 LEU HD2 H 0.590 0.010 1 300 182 35 LEU HG H 1.926 0.015 1 301 182 35 LEU CA C 58.057 0.057 1 302 182 35 LEU CB C 41.147 0.047 1 303 182 35 LEU CD1 C 22.679 0.077 2 304 182 35 LEU CD2 C 25.749 0.083 2 305 182 35 LEU CG C 26.448 0.053 1 306 182 35 LEU N N 120.289 0.053 1 307 183 36 GLU H H 8.418 0.006 1 308 183 36 GLU HA H 4.048 0.009 1 309 183 36 GLU HB2 H 2.064 0.023 2 310 183 36 GLU HG2 H 2.193 0.014 2 311 183 36 GLU CA C 59.471 0.071 1 312 183 36 GLU CB C 29.024 0.102 1 313 184 37 GLN H H 7.354 0.014 1 314 184 37 GLN HA H 4.324 0.008 1 315 184 37 GLN HB2 H 2.255 0.009 2 316 184 37 GLN HB3 H 2.006 0.011 2 317 184 37 GLN HE21 H 6.728 0.005 2 318 184 37 GLN HE22 H 7.220 0.005 2 319 184 37 GLN HG2 H 2.441 0.008 2 320 184 37 GLN HG3 H 2.407 0.009 2 321 184 37 GLN CA C 56.366 0.120 1 322 184 37 GLN CB C 28.916 0.088 1 323 184 37 GLN N N 116.099 0.058 1 324 184 37 GLN NE2 N 111.332 0.054 1 325 189 42 LEU HA H 4.389 0.016 1 326 189 42 LEU HB2 H 1.752 0.012 2 327 189 42 LEU HB3 H 1.056 0.015 2 328 189 42 LEU HD1 H 0.897 0.010 1 329 189 42 LEU HD2 H 0.676 0.008 1 330 189 42 LEU HG H 1.600 0.007 1 331 189 42 LEU CA C 54.419 0.072 1 332 189 42 LEU CB C 44.103 0.181 1 333 189 42 LEU CD1 C 27.161 0.121 2 334 189 42 LEU CD2 C 22.435 0.063 2 335 189 42 LEU CG C 27.134 0.000 1 336 190 43 LYS H H 10.181 0.028 1 337 190 43 LYS HA H 4.985 0.010 1 338 190 43 LYS HB2 H 1.969 0.017 2 339 190 43 LYS HB3 H 1.659 0.013 2 340 190 43 LYS HD2 H 1.821 0.015 2 341 190 43 LYS HE2 H 2.945 0.034 2 342 190 43 LYS HG2 H 1.531 0.010 2 343 190 43 LYS HG3 H 1.436 0.011 2 344 190 43 LYS CA C 55.536 0.058 1 345 190 43 LYS CB C 33.445 0.134 1 346 190 43 LYS CD C 31.661 0.080 1 347 190 43 LYS CE C 42.152 0.080 1 348 190 43 LYS CG C 25.326 0.102 1 349 190 43 LYS N N 123.638 0.061 1 350 191 44 LEU H H 9.603 0.018 1 351 191 44 LEU HA H 5.642 0.008 1 352 191 44 LEU HB2 H 1.992 0.011 2 353 191 44 LEU HB3 H 1.192 0.008 2 354 191 44 LEU HG H 1.611 0.008 1 355 191 44 LEU CA C 52.906 0.063 1 356 191 44 LEU CB C 45.559 0.084 1 357 191 44 LEU CD1 C 23.992 0.070 2 358 191 44 LEU CD2 C 25.663 0.045 2 359 191 44 LEU CG C 26.749 0.068 1 360 191 44 LEU N N 126.817 0.058 1 361 192 45 CYS H H 8.446 0.016 1 362 192 45 CYS HA H 5.749 0.007 1 363 192 45 CYS HB2 H 2.183 0.016 2 364 192 45 CYS HB3 H 1.974 0.014 2 365 192 45 CYS CA C 54.607 0.061 1 366 192 45 CYS CB C 32.400 0.108 1 367 192 45 CYS N N 114.018 0.082 1 368 193 46 VAL H H 8.484 0.009 1 369 193 46 VAL HA H 4.068 0.012 1 370 193 46 VAL HB H 2.550 0.015 1 371 193 46 VAL HG1 H 0.733 0.008 1 372 193 46 VAL HG2 H 0.416 0.010 1 373 193 46 VAL CA C 59.538 0.134 1 374 193 46 VAL CB C 36.754 0.170 1 375 193 46 VAL CG1 C 22.166 0.083 2 376 193 46 VAL CG2 C 17.084 0.037 2 377 193 46 VAL N N 111.168 0.064 1 378 194 47 SER H H 9.350 0.009 1 379 194 47 SER HA H 4.627 0.007 1 380 194 47 SER HB2 H 3.919 0.010 2 381 194 47 SER HB3 H 3.869 0.015 2 382 194 47 SER CA C 62.054 0.170 1 383 194 47 SER CB C 63.390 0.126 1 384 194 47 SER N N 116.476 0.084 1 385 198 51 VAL HA H 4.190 0.007 1 386 198 51 VAL HB H 2.324 0.006 1 387 198 51 VAL HG1 H 0.906 0.007 1 388 198 51 VAL HG2 H 0.863 0.008 1 389 198 51 VAL CA C 61.247 0.029 1 390 198 51 VAL CB C 30.930 0.034 1 391 198 51 VAL CG1 C 19.149 0.064 2 392 198 51 VAL CG2 C 21.463 0.048 2 393 199 52 LEU HA H 4.696 0.008 1 394 199 52 LEU HB2 H 1.405 0.009 2 395 199 52 LEU HB3 H 1.227 0.022 2 396 199 52 LEU HD1 H 0.643 0.008 1 397 199 52 LEU HD2 H 0.601 0.008 1 398 199 52 LEU HG H 1.364 0.011 1 399 199 52 LEU CA C 51.674 0.210 1 400 199 52 LEU CB C 42.513 0.083 1 401 199 52 LEU CD1 C 27.489 0.069 2 402 199 52 LEU CD2 C 24.311 0.077 2 403 199 52 LEU CG C 26.403 0.175 1 404 200 53 PRO HA H 4.344 0.006 1 405 200 53 PRO HB2 H 1.857 0.007 2 406 200 53 PRO HB3 H 2.110 0.009 2 407 200 53 PRO HD2 H 3.378 0.000 2 408 200 53 PRO CA C 63.408 0.117 1 409 200 53 PRO CB C 31.495 0.202 1 410 200 53 PRO CD C 50.529 0.000 1 411 201 54 GLY H H 8.643 0.012 1 412 201 54 GLY HA2 H 3.948 0.005 2 413 201 54 GLY HA3 H 3.718 0.009 2 414 201 54 GLY CA C 45.464 0.085 1 415 201 54 GLY N N 108.490 0.046 1 416 203 56 CYS HA H 4.417 0.006 1 417 203 56 CYS HB2 H 2.951 0.007 2 418 203 56 CYS HB3 H 2.821 0.010 2 419 203 56 CYS CA C 57.928 0.100 1 420 203 56 CYS CB C 26.784 0.088 1 421 204 57 VAL H H 6.831 0.018 1 422 204 57 VAL HA H 4.501 0.007 1 423 204 57 VAL HB H 1.871 0.009 1 424 204 57 VAL HG1 H 0.753 0.009 1 425 204 57 VAL HG2 H 0.704 0.006 1 426 204 57 VAL CA C 60.573 0.101 1 427 204 57 VAL CB C 33.724 0.173 1 428 204 57 VAL CG1 C 22.426 0.061 2 429 204 57 VAL CG2 C 20.041 0.028 2 430 204 57 VAL N N 116.075 0.122 1 431 205 58 TRP H H 8.103 0.012 1 432 205 58 TRP HA H 4.650 0.009 1 433 205 58 TRP HB2 H 3.472 0.012 2 434 205 58 TRP HB3 H 2.913 0.020 2 435 205 58 TRP HD1 H 7.637 0.005 1 436 205 58 TRP HE1 H 10.285 0.007 1 437 205 58 TRP HZ2 H 7.428 0.008 1 438 205 58 TRP CA C 58.209 0.096 1 439 205 58 TRP CB C 32.738 0.105 1 440 205 58 TRP CD1 C 127.728 0.001 1 441 205 58 TRP CZ2 C 114.867 0.009 1 442 205 58 TRP N N 123.136 0.095 1 443 205 58 TRP NE1 N 130.089 0.058 1 444 206 59 SER H H 8.739 0.012 1 445 206 59 SER HA H 5.273 0.009 1 446 206 59 SER HB2 H 3.843 0.003 2 447 206 59 SER HB3 H 3.782 0.009 2 448 206 59 SER CA C 57.580 0.120 1 449 206 59 SER CB C 64.723 0.159 1 450 206 59 SER N N 116.784 0.071 1 451 207 60 ILE H H 8.194 0.013 1 452 207 60 ILE HA H 4.521 0.021 1 453 207 60 ILE HB H 1.233 0.012 1 454 207 60 ILE HD1 H 0.552 0.009 1 455 207 60 ILE HG12 H 1.391 0.008 2 456 207 60 ILE HG2 H 0.612 0.010 1 457 207 60 ILE CA C 59.697 0.073 1 458 207 60 ILE CB C 42.532 0.066 1 459 207 60 ILE CD1 C 15.030 0.077 1 460 207 60 ILE CG1 C 28.347 0.058 1 461 207 60 ILE CG2 C 16.111 0.069 1 462 207 60 ILE N N 120.684 0.086 1 463 208 61 ALA H H 7.905 0.011 1 464 208 61 ALA HA H 4.304 0.007 1 465 208 61 ALA HB H 1.403 0.007 1 466 208 61 ALA CA C 52.073 0.099 1 467 208 61 ALA CB C 21.044 8.368 1 468 208 61 ALA N N 129.953 0.091 1 469 209 62 SER H H 8.638 0.010 1 470 209 62 SER HA H 3.679 0.011 1 471 209 62 SER HB2 H 3.573 0.010 2 472 209 62 SER CA C 61.301 0.127 1 473 209 62 SER CB C 62.582 0.119 1 474 209 62 SER N N 118.777 0.042 1 475 210 63 GLU H H 9.384 0.008 1 476 210 63 GLU HA H 4.211 0.008 1 477 210 63 GLU HB2 H 2.040 0.008 2 478 210 63 GLU CA C 58.469 0.121 1 479 210 63 GLU CB C 28.160 0.194 1 480 210 63 GLU CG C 35.897 0.085 1 481 210 63 GLU N N 118.981 0.056 1 482 211 64 LEU H H 7.742 0.013 1 483 211 64 LEU HA H 4.449 0.010 1 484 211 64 LEU HB2 H 1.808 0.015 2 485 211 64 LEU HB3 H 1.519 0.012 2 486 211 64 LEU HD1 H 0.946 0.007 1 487 211 64 LEU HD2 H 0.824 0.008 1 488 211 64 LEU HG H 1.512 0.010 1 489 211 64 LEU CA C 54.568 0.104 1 490 211 64 LEU CB C 43.029 0.053 1 491 211 64 LEU CD1 C 25.423 0.061 2 492 211 64 LEU CD2 C 22.354 0.096 2 493 211 64 LEU CG C 27.145 0.017 1 494 211 64 LEU N N 118.329 0.094 1 495 212 65 ILE H H 7.117 0.022 1 496 212 65 ILE HA H 3.300 0.010 1 497 212 65 ILE HB H 1.503 0.009 1 498 212 65 ILE HD1 H -0.313 0.010 1 499 212 65 ILE HG12 H 1.410 0.012 2 500 212 65 ILE HG13 H 0.151 0.013 2 501 212 65 ILE HG2 H 0.232 0.007 1 502 212 65 ILE CA C 66.527 0.093 1 503 212 65 ILE CB C 38.166 0.061 1 504 212 65 ILE CD1 C 14.005 0.039 1 505 212 65 ILE CG1 C 29.741 0.057 1 506 212 65 ILE CG2 C 16.287 0.063 1 507 212 65 ILE N N 119.673 0.066 1 508 213 66 GLU H H 8.795 0.012 1 509 213 66 GLU HA H 3.883 0.007 1 510 213 66 GLU HB2 H 2.190 0.004 2 511 213 66 GLU HB3 H 1.980 0.007 2 512 213 66 GLU HG2 H 2.293 0.009 2 513 213 66 GLU HG3 H 1.954 0.006 2 514 213 66 GLU CA C 60.903 0.121 1 515 213 66 GLU CB C 28.016 0.164 1 516 213 66 GLU CG C 36.968 0.047 1 517 213 66 GLU N N 117.955 0.065 1 518 214 67 LYS H H 7.670 0.010 1 519 214 67 LYS HA H 4.121 0.008 1 520 214 67 LYS HB2 H 1.799 0.006 2 521 214 67 LYS HD2 H 1.671 0.009 2 522 214 67 LYS HE2 H 2.984 0.017 2 523 214 67 LYS HG2 H 1.537 0.003 2 524 214 67 LYS CA C 57.562 0.074 1 525 214 67 LYS CB C 33.702 0.080 1 526 214 67 LYS CD C 29.059 0.024 1 527 214 67 LYS CE C 42.118 0.014 1 528 214 67 LYS CG C 25.483 0.151 1 529 214 67 LYS N N 113.119 0.061 1 530 215 68 ARG H H 7.948 0.013 1 531 215 68 ARG HA H 4.629 0.006 1 532 215 68 ARG HB2 H 2.231 0.009 2 533 215 68 ARG HB3 H 1.827 0.007 2 534 215 68 ARG HD2 H 3.219 0.012 2 535 215 68 ARG HG2 H 1.881 0.006 2 536 215 68 ARG HG3 H 1.735 0.012 2 537 215 68 ARG CA C 56.560 0.135 1 538 215 68 ARG CB C 31.953 0.132 1 539 215 68 ARG CD C 42.961 0.042 1 540 215 68 ARG CG C 27.934 0.134 1 541 215 68 ARG N N 113.554 0.045 1 542 216 69 CYS H H 8.124 0.008 1 543 216 69 CYS HA H 5.037 0.015 1 544 216 69 CYS HB2 H 3.040 0.011 2 545 216 69 CYS HB3 H 2.468 0.011 2 546 216 69 CYS CA C 57.220 0.057 1 547 216 69 CYS CB C 28.777 0.162 1 548 216 69 CYS N N 116.532 0.085 1 549 217 70 ARG H H 8.370 0.011 1 550 217 70 ARG HA H 4.114 0.008 1 551 217 70 ARG HB2 H 2.192 0.013 2 552 217 70 ARG HB3 H 2.040 0.018 2 553 217 70 ARG HD2 H 3.467 0.013 2 554 217 70 ARG HD3 H 3.364 0.013 2 555 217 70 ARG HG2 H 2.352 0.021 2 556 217 70 ARG CA C 60.914 0.149 1 557 217 70 ARG CB C 29.807 0.260 1 558 217 70 ARG CD C 43.436 0.062 1 559 217 70 ARG N N 123.651 0.112 1 560 218 71 ARG H H 7.372 0.011 1 561 218 71 ARG HA H 5.193 0.013 1 562 218 71 ARG HG2 H 2.439 0.014 2 563 218 71 ARG HG3 H 2.066 0.009 2 564 218 71 ARG CA C 54.493 0.094 1 565 218 71 ARG CB C 35.404 0.049 1 566 218 71 ARG N N 113.485 0.079 1 567 219 72 MET H H 9.191 0.012 1 568 219 72 MET HA H 5.205 0.010 1 569 219 72 MET HB2 H 1.865 0.010 2 570 219 72 MET HB3 H 1.546 0.011 2 571 219 72 MET HE H 1.049 0.007 1 572 219 72 MET HG2 H 2.444 0.000 2 573 219 72 MET CA C 54.415 0.098 1 574 219 72 MET CB C 36.133 0.200 1 575 219 72 MET CE C 15.425 0.032 1 576 219 72 MET CG C 31.445 0.000 1 577 219 72 MET N N 119.856 0.069 1 578 220 73 VAL H H 9.291 0.014 1 579 220 73 VAL HA H 4.630 0.006 1 580 220 73 VAL HB H 1.863 0.009 1 581 220 73 VAL HG1 H 0.911 0.007 1 582 220 73 VAL HG2 H 0.814 0.004 1 583 220 73 VAL CA C 61.057 0.113 1 584 220 73 VAL CB C 33.126 0.166 1 585 220 73 VAL CG1 C 21.555 0.054 2 586 220 73 VAL CG2 C 22.625 0.181 2 587 220 73 VAL N N 128.968 0.063 1 588 221 74 VAL H H 8.715 0.011 1 589 221 74 VAL HA H 4.578 0.015 1 590 221 74 VAL HB H 1.607 0.008 1 591 221 74 VAL HG1 H 0.713 0.009 1 592 221 74 VAL HG2 H 0.603 0.010 1 593 221 74 VAL CA C 60.806 0.133 1 594 221 74 VAL CB C 34.377 0.148 1 595 221 74 VAL CG1 C 21.615 0.125 2 596 221 74 VAL CG2 C 21.926 0.220 2 597 221 74 VAL N N 128.293 0.045 1 598 222 75 VAL H H 8.092 0.013 1 599 222 75 VAL HA H 4.077 0.007 1 600 222 75 VAL HB H 2.228 0.012 1 601 222 75 VAL HG1 H 0.875 0.007 1 602 222 75 VAL HG2 H 0.807 0.003 1 603 222 75 VAL CA C 62.937 0.193 1 604 222 75 VAL CB C 30.276 0.141 1 605 222 75 VAL CG1 C 21.778 0.085 2 606 222 75 VAL CG2 C 21.415 0.057 2 607 222 75 VAL N N 128.490 0.054 1 608 223 76 VAL H H 8.637 0.011 1 609 223 76 VAL HA H 3.732 0.010 1 610 223 76 VAL HB H 1.756 0.010 1 611 223 76 VAL HG1 H 0.581 0.008 1 612 223 76 VAL HG2 H 0.481 0.009 1 613 223 76 VAL CA C 62.517 0.230 1 614 223 76 VAL CB C 32.484 0.117 1 615 223 76 VAL CG1 C 21.403 0.128 2 616 223 76 VAL CG2 C 22.472 0.090 2 617 223 76 VAL N N 125.312 0.055 1 618 224 77 SER H H 7.125 0.013 1 619 224 77 SER HA H 4.414 0.013 1 620 224 77 SER HB2 H 4.127 0.018 2 621 224 77 SER CA C 57.150 0.131 1 622 224 77 SER CB C 65.065 0.138 1 623 224 77 SER N N 117.151 0.052 1 624 225 78 ASP H H 9.531 0.015 1 625 225 78 ASP HA H 4.499 0.007 1 626 225 78 ASP CA C 58.692 0.116 1 627 225 78 ASP CB C 39.462 0.082 1 628 225 78 ASP N N 122.945 0.085 1 629 226 79 ASP H H 8.455 0.014 1 630 226 79 ASP HA H 4.335 0.011 1 631 226 79 ASP HB2 H 2.625 0.021 2 632 226 79 ASP HB3 H 2.453 0.015 2 633 226 79 ASP CA C 57.181 0.094 1 634 226 79 ASP CB C 40.607 0.123 1 635 226 79 ASP N N 119.808 0.102 1 636 227 80 TYR H H 8.627 0.010 1 637 227 80 TYR HA H 4.343 0.008 1 638 227 80 TYR HB2 H 3.735 0.013 2 639 227 80 TYR HB3 H 3.131 0.017 2 640 227 80 TYR HD1 H 7.105 0.010 3 641 227 80 TYR HD2 H 7.105 0.010 3 642 227 80 TYR HE1 H 6.801 0.000 3 643 227 80 TYR HE2 H 6.801 0.000 3 644 227 80 TYR CA C 61.686 0.126 1 645 227 80 TYR CB C 38.865 0.129 1 646 227 80 TYR CD1 C 133.256 0.000 3 647 227 80 TYR CE1 C 117.762 0.000 3 648 227 80 TYR N N 123.460 0.053 1 649 228 81 LEU H H 7.559 0.014 1 650 228 81 LEU HA H 4.192 0.009 1 651 228 81 LEU HB2 H 1.880 0.010 2 652 228 81 LEU HB3 H 1.635 0.010 2 653 228 81 LEU HD1 H 0.931 0.006 1 654 228 81 LEU HD2 H 0.895 0.006 1 655 228 81 LEU HG H 2.175 0.012 1 656 228 81 LEU CA C 56.974 0.060 1 657 228 81 LEU CB C 41.043 0.117 1 658 228 81 LEU CD1 C 23.009 0.085 2 659 228 81 LEU CD2 C 26.991 0.066 2 660 228 81 LEU CG C 27.086 0.091 1 661 228 81 LEU N N 117.119 0.060 1 662 229 82 GLN H H 7.134 0.014 1 663 229 82 GLN HA H 4.651 0.015 1 664 229 82 GLN HB2 H 2.205 0.006 2 665 229 82 GLN HB3 H 2.034 0.009 2 666 229 82 GLN HE21 H 6.903 0.000 2 667 229 82 GLN HE22 H 7.530 0.001 2 668 229 82 GLN HG2 H 2.355 0.008 2 669 229 82 GLN CA C 54.475 0.063 1 670 229 82 GLN CB C 29.748 0.107 1 671 229 82 GLN CG C 34.046 0.102 1 672 229 82 GLN N N 114.417 0.067 1 673 229 82 GLN NE2 N 112.140 0.038 1 674 230 83 SER H H 7.762 0.014 1 675 230 83 SER HA H 4.593 0.015 1 676 230 83 SER HB2 H 4.018 0.012 2 677 230 83 SER CA C 58.767 0.167 1 678 230 83 SER CB C 66.992 0.163 1 679 230 83 SER N N 117.045 0.053 1 680 231 84 LYS H H 9.134 0.015 1 681 231 84 LYS HA H 4.182 0.011 1 682 231 84 LYS HB2 H 1.853 0.010 2 683 231 84 LYS HB3 H 1.802 0.003 2 684 231 84 LYS HD2 H 1.671 0.008 2 685 231 84 LYS HE2 H 2.960 0.021 2 686 231 84 LYS HG2 H 1.525 0.010 2 687 231 84 LYS HG3 H 1.421 0.008 2 688 231 84 LYS CA C 58.367 0.142 1 689 231 84 LYS CB C 31.638 0.116 1 690 231 84 LYS CD C 29.053 0.009 1 691 231 84 LYS CE C 42.082 0.022 1 692 231 84 LYS CG C 24.732 0.118 1 693 231 84 LYS N N 123.139 0.071 1 694 232 85 GLU H H 9.367 0.012 1 695 232 85 GLU HA H 3.973 0.019 1 696 232 85 GLU CA C 62.269 0.154 1 697 232 85 GLU CB C 27.242 0.069 1 698 232 85 GLU CG C 38.377 0.000 1 699 232 85 GLU N N 124.392 0.080 1 700 233 86 CYS H H 7.512 0.011 1 701 233 86 CYS HA H 4.167 0.011 1 702 233 86 CYS HB2 H 2.533 0.018 2 703 233 86 CYS CA C 60.807 0.116 1 704 233 86 CYS CB C 25.961 0.135 1 705 233 86 CYS N N 120.577 0.065 1 706 234 87 ASP H H 7.363 0.013 1 707 234 87 ASP HA H 4.344 0.019 1 708 234 87 ASP HB2 H 2.780 0.009 2 709 234 87 ASP CA C 58.182 0.097 1 710 234 87 ASP CB C 40.692 0.109 1 711 234 87 ASP N N 123.072 0.067 1 712 235 88 PHE H H 7.852 0.010 1 713 235 88 PHE HA H 4.189 0.008 1 714 235 88 PHE HB2 H 3.397 0.011 2 715 235 88 PHE HB3 H 3.174 0.008 2 716 235 88 PHE CA C 61.140 0.082 1 717 235 88 PHE CB C 38.207 0.084 1 718 235 88 PHE N N 119.984 0.059 1 719 236 89 GLN H H 8.498 0.011 1 720 236 89 GLN HA H 4.221 0.018 1 721 236 89 GLN HB2 H 2.881 0.014 2 722 236 89 GLN HB3 H 2.373 0.003 2 723 236 89 GLN HE21 H 5.938 0.004 2 724 236 89 GLN HE22 H 6.341 0.005 2 725 236 89 GLN HG3 H 2.327 0.000 2 726 236 89 GLN CA C 59.477 0.228 1 727 236 89 GLN CB C 29.308 0.162 1 728 236 89 GLN CG C 33.673 0.000 1 729 236 89 GLN N N 121.890 0.096 1 730 236 89 GLN NE2 N 106.678 0.087 1 731 237 90 THR H H 8.937 0.014 1 732 237 90 THR HA H 3.637 0.007 1 733 237 90 THR HB H 4.386 0.007 1 734 237 90 THR HG2 H 1.170 0.008 1 735 237 90 THR CA C 67.742 0.070 1 736 237 90 THR CB C 68.758 0.244 1 737 237 90 THR CG2 C 20.913 0.084 1 738 237 90 THR N N 121.200 0.084 1 739 238 91 LYS H H 7.678 0.015 1 740 238 91 LYS HA H 3.810 0.008 1 741 238 91 LYS HB2 H 1.769 0.009 2 742 238 91 LYS HE2 H 2.907 0.007 2 743 238 91 LYS HG2 H 1.477 0.008 2 744 238 91 LYS HG3 H 1.317 0.012 2 745 238 91 LYS CA C 60.138 0.102 1 746 238 91 LYS CB C 31.956 0.105 1 747 238 91 LYS CD C 29.078 0.099 1 748 238 91 LYS CE C 42.051 0.089 1 749 238 91 LYS CG C 25.674 0.056 1 750 238 91 LYS N N 121.818 0.056 1 751 239 92 PHE H H 8.257 0.014 1 752 239 92 PHE HA H 3.884 0.010 1 753 239 92 PHE HB2 H 2.901 0.010 2 754 239 92 PHE HB3 H 2.462 0.009 2 755 239 92 PHE HD1 H 6.997 0.002 3 756 239 92 PHE HD2 H 6.997 0.002 3 757 239 92 PHE CA C 60.566 0.082 1 758 239 92 PHE CB C 38.684 0.086 1 759 239 92 PHE N N 120.545 0.062 1 760 240 93 ALA H H 8.535 0.011 1 761 240 93 ALA HA H 3.762 0.009 1 762 240 93 ALA HB H 1.425 0.008 1 763 240 93 ALA CA C 54.829 0.092 1 764 240 93 ALA CB C 18.929 0.117 1 765 240 93 ALA N N 121.575 0.058 1 766 241 94 LEU H H 8.209 0.012 1 767 241 94 LEU HA H 4.149 0.008 1 768 241 94 LEU HB2 H 1.775 0.006 2 769 241 94 LEU HB3 H 1.492 0.011 2 770 241 94 LEU HD1 H 0.834 0.014 1 771 241 94 LEU HD2 H 0.801 0.007 1 772 241 94 LEU HG H 1.766 0.007 1 773 241 94 LEU CA C 56.929 0.106 1 774 241 94 LEU CB C 41.945 0.048 1 775 241 94 LEU CD1 C 22.809 0.045 2 776 241 94 LEU CD2 C 25.419 0.080 2 777 241 94 LEU CG C 26.824 0.146 1 778 241 94 LEU N N 117.702 0.052 1 779 242 95 SER H H 7.436 0.015 1 780 242 95 SER HA H 4.327 0.006 1 781 242 95 SER CA C 59.172 0.073 1 782 242 95 SER CB C 63.887 0.113 1 783 242 95 SER N N 113.629 0.056 1 784 243 96 LEU H H 7.032 0.013 1 785 243 96 LEU HA H 4.213 0.006 1 786 243 96 LEU HB2 H 1.566 0.011 2 787 243 96 LEU HB3 H 1.254 0.013 2 788 243 96 LEU HD1 H 0.525 0.006 1 789 243 96 LEU HD2 H 0.403 0.007 1 790 243 96 LEU HG H 1.609 0.005 1 791 243 96 LEU CA C 53.848 0.153 1 792 243 96 LEU CB C 42.373 0.063 1 793 243 96 LEU CD1 C 25.791 0.075 2 794 243 96 LEU CD2 C 21.883 0.043 2 795 243 96 LEU CG C 25.580 0.033 1 796 243 96 LEU N N 121.432 0.050 1 797 244 97 SER H H 8.375 0.013 1 798 244 97 SER HA H 4.546 0.007 1 799 244 97 SER HB2 H 3.880 0.007 2 800 244 97 SER CA C 57.304 0.097 1 801 244 97 SER CB C 62.404 0.163 1 802 244 97 SER N N 118.023 0.073 1 803 245 98 PRO HA H 4.160 0.008 1 804 245 98 PRO HB2 H 2.266 0.016 2 805 245 98 PRO HB3 H 1.854 0.009 2 806 245 98 PRO HD2 H 3.844 0.013 2 807 245 98 PRO HD3 H 3.603 0.014 2 808 245 98 PRO HG2 H 1.983 0.016 2 809 245 98 PRO CA C 65.231 0.095 1 810 245 98 PRO CB C 31.926 0.132 1 811 245 98 PRO CD C 50.370 0.073 1 812 245 98 PRO CG C 27.504 0.040 1 813 246 99 GLY H H 9.014 0.010 1 814 246 99 GLY HA2 H 4.127 0.010 2 815 246 99 GLY HA3 H 3.832 0.016 2 816 246 99 GLY CA C 45.810 0.089 1 817 246 99 GLY N N 111.102 0.101 1 818 247 100 ALA H H 8.261 0.014 1 819 247 100 ALA HA H 4.321 0.008 1 820 247 100 ALA HB H 1.453 0.007 1 821 247 100 ALA CA C 53.741 0.080 1 822 247 100 ALA CB C 19.961 0.158 1 823 247 100 ALA N N 122.695 0.037 1 824 248 101 HIS H H 8.616 0.017 1 825 248 101 HIS HA H 4.004 0.008 1 826 248 101 HIS HB2 H 3.157 0.010 2 827 248 101 HIS CA C 60.517 0.108 1 828 248 101 HIS CB C 30.048 0.163 1 829 248 101 HIS N N 118.682 0.085 1 830 249 102 GLN H H 8.091 0.010 1 831 249 102 GLN HA H 4.086 0.011 1 832 249 102 GLN HB2 H 2.117 0.007 2 833 249 102 GLN HE21 H 6.993 0.004 2 834 249 102 GLN HE22 H 7.574 0.000 2 835 249 102 GLN HG2 H 2.414 0.010 2 836 249 102 GLN HG3 H 2.322 0.011 2 837 249 102 GLN CA C 57.889 0.098 1 838 249 102 GLN CB C 28.413 0.095 1 839 249 102 GLN CG C 34.159 0.054 1 840 249 102 GLN N N 114.346 0.047 1 841 249 102 GLN NE2 N 112.130 0.085 1 842 250 103 LYS H H 7.375 0.020 1 843 250 103 LYS HA H 4.429 0.011 1 844 250 103 LYS HB2 H 1.991 0.012 2 845 250 103 LYS HB3 H 1.911 0.022 2 846 250 103 LYS HD2 H 1.666 0.006 2 847 250 103 LYS HE2 H 2.951 0.006 2 848 250 103 LYS HG2 H 1.543 0.010 2 849 250 103 LYS HG3 H 1.427 0.009 2 850 250 103 LYS CA C 57.254 0.053 1 851 250 103 LYS CB C 33.694 0.058 1 852 250 103 LYS CD C 29.059 0.025 1 853 250 103 LYS CE C 42.029 0.061 1 854 250 103 LYS CG C 25.296 0.091 1 855 250 103 LYS N N 116.054 0.043 1 856 251 104 ARG H H 7.924 0.012 1 857 251 104 ARG HA H 4.676 0.009 1 858 251 104 ARG HB2 H 2.368 0.008 2 859 251 104 ARG HD2 H 3.065 0.014 2 860 251 104 ARG HG2 H 2.094 0.012 2 861 251 104 ARG HG3 H 1.647 0.006 2 862 251 104 ARG CA C 56.927 0.063 1 863 251 104 ARG CB C 32.221 0.057 1 864 251 104 ARG CD C 43.412 0.002 1 865 251 104 ARG N N 113.656 0.084 1 866 252 105 LEU H H 7.732 0.012 1 867 252 105 LEU HA H 5.361 0.010 1 868 252 105 LEU HB2 H 2.107 0.009 2 869 252 105 LEU HB3 H 1.060 0.007 2 870 252 105 LEU HD1 H 0.959 0.009 1 871 252 105 LEU HD2 H 0.883 0.008 1 872 252 105 LEU HG H 1.778 0.030 1 873 252 105 LEU CA C 54.046 0.120 1 874 252 105 LEU CB C 44.569 0.061 1 875 252 105 LEU CD1 C 25.292 0.070 2 876 252 105 LEU CD2 C 25.897 0.088 2 877 252 105 LEU CG C 27.840 0.052 1 878 252 105 LEU N N 118.532 0.085 1 879 253 106 ILE H H 8.690 0.011 1 880 253 106 ILE HA H 4.642 0.009 1 881 253 106 ILE HB H 1.820 0.002 1 882 253 106 ILE HD1 H 0.652 0.009 1 883 253 106 ILE HG12 H 1.237 0.009 2 884 253 106 ILE HG13 H 1.063 0.008 2 885 253 106 ILE HG2 H 0.785 0.013 1 886 253 106 ILE CA C 57.879 0.109 1 887 253 106 ILE CB C 44.567 0.000 1 888 253 106 ILE CD1 C 12.944 0.045 1 889 253 106 ILE CG1 C 26.672 0.053 1 890 253 106 ILE CG2 C 17.171 0.075 1 891 253 106 ILE N N 120.717 0.089 1 892 254 107 PRO HA H 5.375 0.008 1 893 254 107 PRO HB2 H 1.987 0.014 2 894 254 107 PRO HD2 H 4.166 0.009 2 895 254 107 PRO HD3 H 3.698 0.013 2 896 254 107 PRO HG2 H 2.261 0.012 2 897 254 107 PRO HG3 H 1.675 0.016 2 898 254 107 PRO CA C 60.887 0.114 1 899 254 107 PRO CB C 32.316 0.090 1 900 254 107 PRO CD C 50.969 0.052 1 901 254 107 PRO CG C 27.867 0.118 1 902 255 108 ILE H H 9.429 0.010 1 903 255 108 ILE HA H 5.161 0.022 1 904 255 108 ILE HB H 1.784 0.010 1 905 255 108 ILE HD1 H 0.981 0.011 1 906 255 108 ILE HG12 H 1.726 0.009 2 907 255 108 ILE HG13 H 1.196 0.008 2 908 255 108 ILE HG2 H 1.026 0.008 1 909 255 108 ILE CA C 59.583 0.141 1 910 255 108 ILE CB C 41.757 0.145 1 911 255 108 ILE CD1 C 15.663 0.074 1 912 255 108 ILE CG1 C 27.635 0.078 1 913 255 108 ILE CG2 C 17.339 0.062 1 914 255 108 ILE N N 123.823 0.042 1 915 256 109 LYS H H 8.178 0.015 1 916 256 109 LYS HA H 4.836 0.010 1 917 256 109 LYS HB2 H 1.654 0.020 2 918 256 109 LYS HD2 H 1.581 0.012 2 919 256 109 LYS HD3 H 1.454 0.002 2 920 256 109 LYS HG2 H 1.512 0.006 2 921 256 109 LYS HG3 H 1.117 0.008 2 922 256 109 LYS CA C 54.599 0.085 1 923 256 109 LYS CB C 37.107 0.160 1 924 256 109 LYS CD C 30.341 0.045 1 925 256 109 LYS CE C 42.063 0.021 1 926 256 109 LYS CG C 25.905 0.094 1 927 256 109 LYS N N 126.508 0.080 1 928 257 110 TYR H H 8.742 0.011 1 929 257 110 TYR HA H 4.825 0.032 1 930 257 110 TYR HB2 H 2.441 0.010 2 931 257 110 TYR HB3 H 1.332 0.011 2 932 257 110 TYR HE1 H 6.480 0.013 3 933 257 110 TYR HE2 H 6.480 0.013 3 934 257 110 TYR CA C 56.416 0.102 1 935 257 110 TYR CB C 40.879 0.179 1 936 257 110 TYR CE1 C 117.309 0.000 3 937 257 110 TYR N N 123.265 0.083 1 938 258 111 LYS H H 7.512 0.014 1 939 258 111 LYS HA H 4.218 0.008 1 940 258 111 LYS HB2 H 1.430 0.005 2 941 258 111 LYS HB3 H 1.293 0.009 2 942 258 111 LYS HD2 H 1.412 0.006 2 943 258 111 LYS HD3 H 1.293 0.006 2 944 258 111 LYS HE2 H 2.849 0.009 2 945 258 111 LYS HE3 H 2.674 0.023 2 946 258 111 LYS HG2 H 0.054 0.016 2 947 258 111 LYS HG3 H 0.674 0.024 2 948 258 111 LYS CA C 54.243 0.133 1 949 258 111 LYS CB C 34.928 0.138 1 950 258 111 LYS CD C 30.378 0.143 1 951 258 111 LYS CE C 38.945 0.064 1 952 258 111 LYS CG C 21.732 0.241 1 953 258 111 LYS N N 120.397 0.092 1 954 259 112 ALA H H 8.055 0.013 1 955 259 112 ALA HA H 3.961 0.006 1 956 259 112 ALA HB H 1.242 0.008 1 957 259 112 ALA CA C 52.943 0.069 1 958 259 112 ALA CB C 18.801 0.113 1 959 259 112 ALA N N 120.108 0.057 1 960 260 113 MET H H 8.426 0.013 1 961 260 113 MET HA H 4.465 0.015 1 962 260 113 MET HB2 H 1.516 0.007 2 963 260 113 MET HE H 1.819 0.006 1 964 260 113 MET HG2 H 2.730 0.006 2 965 260 113 MET HG3 H 2.380 0.003 2 966 260 113 MET CA C 55.070 0.169 1 967 260 113 MET CB C 38.354 0.095 1 968 260 113 MET CE C 15.568 0.037 1 969 260 113 MET N N 120.703 0.062 1 970 261 114 LYS H H 11.487 0.012 1 971 261 114 LYS HA H 4.298 0.006 1 972 261 114 LYS HB2 H 1.807 0.007 2 973 261 114 LYS HB3 H 1.676 0.006 2 974 261 114 LYS HD2 H 1.603 0.006 2 975 261 114 LYS HE2 H 2.925 0.008 2 976 261 114 LYS CA C 56.677 0.089 1 977 261 114 LYS CB C 33.535 0.100 1 978 261 114 LYS CD C 29.003 0.171 1 979 261 114 LYS CE C 42.111 0.148 1 980 261 114 LYS CG C 25.151 0.067 1 981 261 114 LYS N N 125.661 0.087 1 982 262 115 LYS H H 8.909 0.013 1 983 262 115 LYS HA H 4.286 0.012 1 984 262 115 LYS HB2 H 1.800 0.007 2 985 262 115 LYS HB3 H 1.745 0.003 2 986 262 115 LYS HD2 H 1.665 0.011 2 987 262 115 LYS HD3 H 1.610 0.009 2 988 262 115 LYS HG2 H 1.302 0.007 2 989 262 115 LYS CA C 55.373 0.030 1 990 262 115 LYS CB C 33.739 0.149 1 991 262 115 LYS CD C 29.105 0.126 1 992 262 115 LYS CE C 42.605 0.000 1 993 262 115 LYS CG C 25.670 0.041 1 994 262 115 LYS N N 122.133 0.085 1 995 263 116 GLU H H 8.129 0.012 1 996 263 116 GLU HA H 4.134 0.009 1 997 263 116 GLU HB2 H 1.939 0.010 2 998 263 116 GLU HB3 H 1.788 0.008 2 999 263 116 GLU CA C 55.448 0.044 1 1000 263 116 GLU CB C 30.701 0.105 1 1001 263 116 GLU CG C 36.328 0.118 1 1002 263 116 GLU N N 118.571 0.104 1 1003 264 117 PHE H H 8.806 0.010 1 1004 264 117 PHE HA H 4.355 0.006 1 1005 264 117 PHE HB2 H 3.032 0.013 2 1006 264 117 PHE HB3 H 2.782 0.013 2 1007 264 117 PHE HD1 H 7.145 0.000 3 1008 264 117 PHE HD2 H 7.145 0.000 3 1009 264 117 PHE CA C 56.511 0.046 1 1010 264 117 PHE CB C 38.146 0.106 1 1011 264 117 PHE N N 122.504 0.112 1 1012 265 118 PRO HA H 4.482 0.007 1 1013 265 118 PRO HB2 H 2.354 0.008 2 1014 265 118 PRO HB3 H 1.933 0.009 2 1015 265 118 PRO HD2 H 3.653 0.011 2 1016 265 118 PRO HD3 H 3.086 0.013 2 1017 265 118 PRO HG2 H 2.016 0.009 2 1018 265 118 PRO HG3 H 1.853 0.009 2 1019 265 118 PRO CA C 62.509 0.046 1 1020 265 118 PRO CB C 32.244 0.091 1 1021 265 118 PRO CD C 50.244 0.100 1 1022 265 118 PRO CG C 27.589 0.041 1 1023 266 119 SER H H 8.860 0.012 1 1024 266 119 SER HA H 3.887 0.007 1 1025 266 119 SER HB2 H 4.757 0.007 2 1026 266 119 SER CA C 62.479 0.174 1 1027 266 119 SER CB C 58.842 0.000 1 1028 266 119 SER N N 119.114 0.049 1 1029 267 120 ILE H H 8.249 0.013 1 1030 267 120 ILE HA H 4.148 0.007 1 1031 267 120 ILE HB H 1.873 0.007 1 1032 267 120 ILE HD1 H 0.765 0.005 1 1033 267 120 ILE HG12 H 1.419 0.009 2 1034 267 120 ILE HG13 H 1.173 0.008 2 1035 267 120 ILE HG2 H 0.790 0.006 1 1036 267 120 ILE CA C 61.886 0.061 1 1037 267 120 ILE CB C 38.142 0.036 1 1038 267 120 ILE CD1 C 14.212 0.042 1 1039 267 120 ILE CG1 C 29.443 0.061 1 1040 267 120 ILE CG2 C 18.577 0.052 1 1041 267 120 ILE N N 118.290 0.067 1 1042 268 121 LEU H H 7.429 0.013 1 1043 268 121 LEU HA H 4.481 0.012 1 1044 268 121 LEU HB2 H 1.617 0.012 2 1045 268 121 LEU HD1 H 0.710 0.006 1 1046 268 121 LEU HD2 H 0.724 0.005 1 1047 268 121 LEU HG H 1.623 0.003 1 1048 268 121 LEU CA C 53.934 0.144 1 1049 268 121 LEU CB C 42.880 0.141 1 1050 268 121 LEU CD1 C 25.794 0.059 2 1051 268 121 LEU CD2 C 22.752 0.167 2 1052 268 121 LEU CG C 26.719 0.000 1 1053 268 121 LEU N N 116.276 0.039 1 1054 269 122 ARG H H 7.506 0.010 1 1055 269 122 ARG HA H 3.878 0.008 1 1056 269 122 ARG HB2 H 1.613 0.009 2 1057 269 122 ARG HB3 H 1.302 0.006 2 1058 269 122 ARG HG2 H 1.274 0.010 2 1059 269 122 ARG HG3 H 1.162 0.019 2 1060 269 122 ARG CA C 58.252 0.088 1 1061 269 122 ARG CB C 30.295 0.126 1 1062 269 122 ARG CD C 43.504 0.034 1 1063 269 122 ARG CG C 26.987 0.034 1 1064 269 122 ARG N N 118.196 0.058 1 1065 270 123 PHE H H 8.166 0.012 1 1066 270 123 PHE HA H 4.594 0.009 1 1067 270 123 PHE HB2 H 3.369 0.022 2 1068 270 123 PHE HB3 H 2.991 0.011 2 1069 270 123 PHE CA C 57.644 0.090 1 1070 270 123 PHE CB C 37.712 0.093 1 1071 270 123 PHE N N 115.346 0.036 1 1072 271 124 ILE H H 7.363 0.014 1 1073 271 124 ILE HA H 4.335 0.009 1 1074 271 124 ILE HB H 1.768 0.008 1 1075 271 124 ILE HD1 H 0.845 0.009 1 1076 271 124 ILE HG12 H 1.484 0.008 2 1077 271 124 ILE HG13 H 0.970 0.014 2 1078 271 124 ILE HG2 H 0.990 0.007 1 1079 271 124 ILE CA C 60.496 0.104 1 1080 271 124 ILE CB C 39.767 0.115 1 1081 271 124 ILE CD1 C 14.731 0.064 1 1082 271 124 ILE CG1 C 27.012 0.037 1 1083 271 124 ILE CG2 C 18.304 0.062 1 1084 271 124 ILE N N 119.380 0.065 1 1085 272 125 THR H H 8.608 0.010 1 1086 272 125 THR HA H 3.989 0.012 1 1087 272 125 THR HB H 4.044 0.010 1 1088 272 125 THR HG2 H 1.160 0.007 1 1089 272 125 THR CA C 64.481 0.176 1 1090 272 125 THR CB C 69.201 0.082 1 1091 272 125 THR CG2 C 21.992 0.152 1 1092 272 125 THR N N 122.607 0.078 1 1093 273 126 VAL H H 8.427 0.012 1 1094 273 126 VAL HA H 4.071 0.008 1 1095 273 126 VAL HB H 1.940 0.012 1 1096 273 126 VAL HG1 H 0.817 0.008 1 1097 273 126 VAL HG2 H 0.725 0.010 1 1098 273 126 VAL CA C 61.668 0.059 1 1099 273 126 VAL CB C 33.629 0.083 1 1100 273 126 VAL CG1 C 22.640 0.079 2 1101 273 126 VAL CG2 C 21.403 0.100 2 1102 273 126 VAL N N 127.032 0.056 1 1103 274 127 CYS H H 8.674 0.009 1 1104 274 127 CYS HA H 4.499 0.011 1 1105 274 127 CYS HB2 H 2.979 0.013 2 1106 274 127 CYS HB3 H 2.747 0.010 2 1107 274 127 CYS CA C 59.074 0.183 1 1108 274 127 CYS CB C 26.638 0.125 1 1109 274 127 CYS N N 127.367 0.073 1 1110 275 128 ASP H H 8.845 0.009 1 1111 275 128 ASP HA H 5.058 0.011 1 1112 275 128 ASP HB2 H 3.092 0.007 2 1113 275 128 ASP HB3 H 2.271 0.011 2 1114 275 128 ASP CA C 52.859 0.182 1 1115 275 128 ASP CB C 41.310 0.125 1 1116 275 128 ASP N N 126.081 0.067 1 1117 276 129 TYR H H 9.038 0.013 1 1118 276 129 TYR HA H 3.699 0.019 1 1119 276 129 TYR HB2 H 2.587 0.007 2 1120 276 129 TYR HB3 H 3.130 0.000 2 1121 276 129 TYR HD1 H 6.611 0.022 3 1122 276 129 TYR HD2 H 6.611 0.022 3 1123 276 129 TYR CA C 57.313 0.087 1 1124 276 129 TYR CB C 39.063 0.146 1 1125 276 129 TYR N N 128.416 0.062 1 1126 277 130 THR H H 8.331 0.016 1 1127 277 130 THR HA H 4.340 0.008 1 1128 277 130 THR HG2 H 1.847 0.011 1 1129 277 130 THR CA C 62.972 0.347 1 1130 277 130 THR CB C 69.458 0.177 1 1131 277 130 THR N N 107.465 0.067 1 1132 279 132 PRO HA H 4.044 0.022 1 1133 279 132 PRO HB2 H 1.939 0.012 2 1134 279 132 PRO HD2 H 3.659 0.000 2 1135 279 132 PRO HG2 H 1.917 0.011 2 1136 279 132 PRO CA C 64.652 0.065 1 1137 279 132 PRO CB C 31.997 0.016 1 1138 279 132 PRO CG C 26.710 0.005 1 1139 280 133 CYS H H 8.217 0.010 1 1140 280 133 CYS HA H 4.303 0.007 1 1141 280 133 CYS HB2 H 3.059 0.007 2 1142 280 133 CYS HB3 H 2.888 0.008 2 1143 280 133 CYS CA C 60.475 0.083 1 1144 280 133 CYS CB C 27.355 0.085 1 1145 280 133 CYS N N 116.137 0.048 1 1146 281 134 THR H H 7.463 0.019 1 1147 281 134 THR HA H 4.165 0.003 1 1148 281 134 THR HB H 4.168 0.008 1 1149 281 134 THR HG2 H 1.137 0.023 1 1150 281 134 THR CA C 61.406 0.050 1 1151 281 134 THR CB C 69.584 0.244 1 1152 281 134 THR CG2 C 21.737 0.046 1 1153 281 134 THR N N 108.808 0.091 1 1154 282 135 LYS H H 7.383 0.008 1 1155 282 135 LYS HB2 H 1.652 0.003 2 1156 282 135 LYS CA C 59.212 0.102 1 1157 282 135 LYS CB C 32.613 0.058 1 1158 282 135 LYS N N 123.123 0.097 1 1159 283 136 SER H H 8.437 0.017 1 1160 283 136 SER HA H 4.378 0.015 1 1161 283 136 SER HB2 H 3.873 0.012 2 1162 283 136 SER CA C 61.215 0.227 1 1163 283 136 SER CB C 62.852 0.454 1 1164 283 136 SER N N 113.824 0.103 1 1165 284 137 TRP HA H 4.873 0.006 1 1166 284 137 TRP HB2 H 3.412 0.008 2 1167 284 137 TRP HB3 H 3.267 0.007 2 1168 284 137 TRP HD1 H 7.214 0.014 1 1169 284 137 TRP HE1 H 10.204 0.009 1 1170 284 137 TRP HZ2 H 7.501 0.004 1 1171 284 137 TRP CA C 56.983 0.043 1 1172 284 137 TRP CB C 28.869 0.168 1 1173 284 137 TRP CD1 C 127.511 0.003 1 1174 284 137 TRP CZ2 C 114.815 0.011 1 1175 284 137 TRP NE1 N 129.464 0.044 1 1176 285 138 PHE H H 7.651 0.012 1 1177 285 138 PHE HA H 3.721 0.006 1 1178 285 138 PHE HB2 H 3.143 0.007 2 1179 285 138 PHE HB3 H 2.226 0.004 2 1180 285 138 PHE HD1 H 6.002 0.013 3 1181 285 138 PHE HD2 H 6.002 0.013 3 1182 285 138 PHE HE1 H 6.939 0.000 3 1183 285 138 PHE HE2 H 6.939 0.000 3 1184 285 138 PHE CA C 63.087 0.144 1 1185 285 138 PHE CB C 40.578 0.052 1 1186 285 138 PHE N N 120.963 0.060 1 1187 286 139 TRP H H 8.049 0.007 1 1188 286 139 TRP HA H 4.574 0.009 1 1189 286 139 TRP HB2 H 3.276 0.012 2 1190 286 139 TRP HB3 H 3.088 0.005 2 1191 286 139 TRP HD1 H 7.420 0.014 1 1192 286 139 TRP HE1 H 10.284 0.009 1 1193 286 139 TRP HZ2 H 6.990 0.005 1 1194 286 139 TRP CA C 58.635 0.121 1 1195 286 139 TRP CB C 29.380 0.088 1 1196 286 139 TRP CD1 C 129.150 0.005 1 1197 286 139 TRP CZ2 C 115.130 0.028 1 1198 286 139 TRP N N 117.498 0.051 1 1199 286 139 TRP NE1 N 129.220 0.046 1 1200 287 140 THR H H 8.125 0.010 1 1201 287 140 THR HA H 4.023 0.009 1 1202 287 140 THR HB H 4.341 0.007 1 1203 287 140 THR HG2 H 1.459 0.007 1 1204 287 140 THR CA C 66.669 0.079 1 1205 287 140 THR CB C 68.599 0.055 1 1206 287 140 THR CG2 C 22.662 0.104 1 1207 287 140 THR N N 114.205 0.066 1 1208 288 141 ARG H H 8.198 0.012 1 1209 288 141 ARG HA H 3.902 0.012 1 1210 288 141 ARG HB2 H 1.674 0.018 2 1211 288 141 ARG HD2 H 2.945 0.017 2 1212 288 141 ARG HG2 H 1.782 0.009 2 1213 288 141 ARG HG3 H 1.482 0.009 2 1214 288 141 ARG CA C 59.810 0.171 1 1215 288 141 ARG CB C 29.536 0.110 1 1216 288 141 ARG CD C 43.442 0.000 1 1217 288 141 ARG CG C 27.840 0.055 1 1218 288 141 ARG N N 120.862 0.190 1 1219 289 142 LEU H H 7.774 0.013 1 1220 289 142 LEU HA H 3.981 0.013 1 1221 289 142 LEU HB2 H 1.773 0.009 2 1222 289 142 LEU HB3 H 1.000 0.009 2 1223 289 142 LEU HD1 H 0.993 0.012 1 1224 289 142 LEU HD2 H 0.812 0.007 1 1225 289 142 LEU HG H 1.417 0.010 1 1226 289 142 LEU CA C 57.528 0.084 1 1227 289 142 LEU CB C 41.272 0.315 1 1228 289 142 LEU CD1 C 26.975 0.132 2 1229 289 142 LEU CD2 C 22.670 0.042 2 1230 289 142 LEU CG C 27.254 0.181 1 1231 289 142 LEU N N 122.074 0.094 1 1232 290 143 ALA H H 8.401 0.014 1 1233 290 143 ALA HA H 3.675 0.016 1 1234 290 143 ALA HB H 1.435 0.007 1 1235 290 143 ALA CA C 55.436 0.099 1 1236 290 143 ALA CB C 19.446 0.191 1 1237 290 143 ALA N N 120.468 0.091 1 1238 291 144 LYS H H 7.737 0.011 1 1239 291 144 LYS HA H 3.143 0.017 1 1240 291 144 LYS HB2 H 1.717 0.011 2 1241 291 144 LYS HD2 H 1.622 0.007 2 1242 291 144 LYS HE2 H 2.908 0.007 2 1243 291 144 LYS HG2 H 1.264 0.006 2 1244 291 144 LYS CA C 58.918 0.050 1 1245 291 144 LYS CB C 31.897 0.137 1 1246 291 144 LYS CD C 29.405 0.038 1 1247 291 144 LYS CE C 42.266 0.050 1 1248 291 144 LYS N N 116.072 0.054 1 1249 292 145 ALA H H 7.740 0.012 1 1250 292 145 ALA HA H 3.922 0.012 1 1251 292 145 ALA HB H 1.376 0.009 1 1252 292 145 ALA CA C 55.223 0.091 1 1253 292 145 ALA CB C 17.566 0.128 1 1254 292 145 ALA N N 121.607 0.072 1 1255 293 146 LEU H H 8.023 0.013 1 1256 293 146 LEU HA H 4.088 0.008 1 1257 293 146 LEU HB2 H 1.913 0.013 2 1258 293 146 LEU HB3 H 1.030 0.008 2 1259 293 146 LEU CA C 55.431 0.049 1 1260 293 146 LEU CB C 42.760 0.101 1 1261 293 146 LEU CD1 C 25.864 0.055 2 1262 293 146 LEU CD2 C 23.527 0.121 2 1263 293 146 LEU N N 113.505 0.035 1 1264 294 147 SER H H 7.825 0.010 1 1265 294 147 SER HA H 4.054 0.008 1 1266 294 147 SER HB2 H 4.018 0.011 2 1267 294 147 SER HB3 H 3.776 0.009 2 1268 294 147 SER CA C 59.691 0.073 1 1269 294 147 SER CB C 63.937 0.098 1 1270 294 147 SER N N 114.925 0.065 1 1271 295 148 LEU H H 6.956 0.013 1 1272 295 148 LEU HA H 4.449 0.008 1 1273 295 148 LEU HB2 H 1.699 0.007 2 1274 295 148 LEU HB3 H 1.578 0.011 2 1275 295 148 LEU HD1 H 0.886 0.009 1 1276 295 148 LEU HD2 H 0.863 0.007 1 1277 295 148 LEU HG H 2.010 0.010 1 1278 295 148 LEU CA C 53.711 0.070 1 1279 295 148 LEU CB C 41.041 0.072 1 1280 295 148 LEU CD1 C 25.726 0.106 2 1281 295 148 LEU CD2 C 22.447 0.028 2 1282 295 148 LEU CG C 26.080 0.054 1 1283 295 148 LEU N N 123.944 0.049 1 1284 296 149 PRO HD2 H 3.828 0.005 2 1285 296 149 PRO HD3 H 3.590 0.008 2 1286 296 149 PRO CD C 50.399 0.039 1 stop_ save_