data_30171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 reverse transcriptase thumb subdomain ; _BMRB_accession_number 30171 _BMRB_flat_file_name bmr30171.str _Entry_type original _Submission_date 2016-09-06 _Accession_date 2016-09-06 _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 Gronenborn A. M. . 2 Sharaf N. G. . 3 Byeon I-J. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 467 "13C chemical shifts" 276 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-12 original BMRB . stop_ _Original_release_date 2016-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the HIV-1 reverse transcriptase thumb subdomain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27858311 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharaf N. G. . 2 Brereton A. E. . 3 Byeon I-J. L. . 4 Karplus P. A. . 5 Gronenborn A. M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 66 _Journal_issue 4 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 273 _Page_last 280 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Reverse transcriptase' _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 10460.995 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; DKWTVQPIVLPEKDSWTVND IQKLVGKLNWASQIYPGIKV RQLSKLLRGTKALTEVIPLT EEAELELAENREILKEPVHG VYLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 237 ASP 2 238 LYS 3 239 TRP 4 240 THR 5 241 VAL 6 242 GLN 7 243 PRO 8 244 ILE 9 245 VAL 10 246 LEU 11 247 PRO 12 248 GLU 13 249 LYS 14 250 ASP 15 251 SER 16 252 TRP 17 253 THR 18 254 VAL 19 255 ASN 20 256 ASP 21 257 ILE 22 258 GLN 23 259 LYS 24 260 LEU 25 261 VAL 26 262 GLY 27 263 LYS 28 264 LEU 29 265 ASN 30 266 TRP 31 267 ALA 32 268 SER 33 269 GLN 34 270 ILE 35 271 TYR 36 272 PRO 37 273 GLY 38 274 ILE 39 275 LYS 40 276 VAL 41 277 ARG 42 278 GLN 43 279 LEU 44 280 SER 45 281 LYS 46 282 LEU 47 283 LEU 48 284 ARG 49 285 GLY 50 286 THR 51 287 LYS 52 288 ALA 53 289 LEU 54 290 THR 55 291 GLU 56 292 VAL 57 293 ILE 58 294 PRO 59 295 LEU 60 296 THR 61 297 GLU 62 298 GLU 63 299 ALA 64 300 GLU 65 301 LEU 66 302 GLU 67 303 LEU 68 304 ALA 69 305 GLU 70 306 ASN 71 307 ARG 72 308 GLU 73 309 ILE 74 310 LEU 75 311 LYS 76 312 GLU 77 313 PRO 78 314 VAL 79 315 HIS 80 316 GLY 81 317 VAL 82 318 TYR 83 319 LEU 84 320 GLU 85 321 HIS 86 322 HIS 87 323 HIS 88 324 HIS 89 325 HIS 90 326 HIS 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 _Gene_mnemonic $entity_1 HIV-1 11676 Viruses . Lentivirus HIV-1 pol 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'Sodium Phosphate' 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance600 _Field_strength 600 _Details '5 mm triple resonance, Z-axis gradient cryoprobes' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance700 _Field_strength 700 _Details '5 mm triple resonance, Z-axis gradient cryoprobes' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_SIMULTANEOUS_13C-_and_15N-_EDITED_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D SIMULTANEOUS 13C- and 15N- EDITED NOESY' _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' 100 . mM pH 6.8 . 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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' '3D HN(CO)CACB' '3D HNCACB' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '3D SIMULTANEOUS 13C- and 15N- EDITED NOESY' stop_ loop_ _Sample_label $sample_1 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 1 237 1 ASP HA H 4.622 0.01 1 2 237 1 ASP HB2 H 2.549 0.006 1 3 237 1 ASP CA C 54.312 0.132 1 4 237 1 ASP CB C 41.587 0.067 1 5 238 2 LYS H H 8.273 0.013 1 6 238 2 LYS HA H 4.214 0.013 1 7 238 2 LYS HB2 H 1.568 0.012 2 8 238 2 LYS HB3 H 1.603 0.002 2 9 238 2 LYS HG2 H 1.162 0.007 1 10 238 2 LYS HD2 H 1.518 0.007 1 11 238 2 LYS HE2 H 2.838 0.006 1 12 238 2 LYS CA C 56.749 0.053 1 13 238 2 LYS CB C 33.039 0.03 1 14 238 2 LYS CG C 24.442 0.012 1 15 238 2 LYS CD C 29.116 0.052 1 16 238 2 LYS CE C 42.039 0.034 1 17 238 2 LYS N N 120.95 0.072 1 18 239 3 TRP H H 8.142 0.012 1 19 239 3 TRP HA H 4.748 0.025 1 20 239 3 TRP HB2 H 3.279 0.01 2 21 239 3 TRP HB3 H 3.176 0.004 2 22 239 3 TRP HD1 H 7.165 0.002 1 23 239 3 TRP HE1 H 10.078 0.008 1 24 239 3 TRP HE3 H 7.512 0.011 1 25 239 3 TRP HZ2 H 7.38 0.019 1 26 239 3 TRP CA C 57.029 0.053 1 27 239 3 TRP CB C 29.871 0.11 1 28 239 3 TRP N N 121.179 0.037 1 29 239 3 TRP NE1 N 129.236 0.075 1 30 240 4 THR H H 8.023 0.014 1 31 240 4 THR HA H 4.41 0.01 1 32 240 4 THR HB H 4.129 0.005 1 33 240 4 THR HG1 H 1.123 0.003 1 34 240 4 THR HG2 H 1.109 0.006 1 35 240 4 THR CA C 62.01 0.074 1 36 240 4 THR CB C 70.138 0.119 1 37 240 4 THR CG2 C 21.685 0.046 1 38 240 4 THR N N 115.88 0.06 1 39 241 5 VAL H H 8.006 0.013 1 40 241 5 VAL HA H 4.118 0.004 1 41 241 5 VAL HB H 2.031 0.007 1 42 241 5 VAL HG1 H 0.902 0.008 1 43 241 5 VAL CA C 62.077 0.078 1 44 241 5 VAL CB C 32.853 0.052 1 45 241 5 VAL CG1 C 21.17 0.133 1 46 241 5 VAL N N 121.857 0.082 1 47 242 6 GLN H H 8.219 0.012 1 48 242 6 GLN HA H 4.604 0.001 1 49 242 6 GLN HB2 H 2.116 0.004 2 50 242 6 GLN HB3 H 1.931 0.005 2 51 242 6 GLN HG2 H 2.369 0.002 1 52 242 6 GLN HE21 H 7.507 0.011 1 53 242 6 GLN HE22 H 6.868 0.011 1 54 242 6 GLN CA C 53.615 0.013 1 55 242 6 GLN CB C 29.162 0.053 1 56 242 6 GLN CG C 33.666 0.021 1 57 242 6 GLN N N 124.773 0.066 1 58 242 6 GLN NE2 N 112.288 0.034 1 59 243 7 PRO HA H 4.572 0.002 1 60 243 7 PRO HB2 H 1.877 0.003 2 61 243 7 PRO HB3 H 2.288 0.001 2 62 243 7 PRO CA C 63.38 0.012 1 63 243 7 PRO CB C 31.86 0.193 1 64 243 7 PRO CG C 27.371 0 1 65 243 7 PRO CD C 50.998 0 1 66 244 8 ILE H H 8.585 0.022 1 67 244 8 ILE HA H 4.129 0.007 1 68 244 8 ILE HB H 1.886 0.011 1 69 244 8 ILE HG12 H 1.267 0.005 1 70 244 8 ILE HG2 H 0.812 0.006 1 71 244 8 ILE HD1 H 0.963 0.007 1 72 244 8 ILE CA C 61.246 0.026 1 73 244 8 ILE CB C 38.489 0.063 1 74 244 8 ILE CG1 C 27.628 0.045 1 75 244 8 ILE CG2 C 17.659 0.055 1 76 244 8 ILE CD1 C 13.907 0.049 1 77 244 8 ILE N N 122.735 0.236 1 78 245 9 VAL H H 8.237 0.012 1 79 245 9 VAL HA H 4.178 0.005 1 80 245 9 VAL HB H 1.925 0.006 1 81 245 9 VAL HG1 H 0.848 0.007 1 82 245 9 VAL CA C 61.249 0.05 1 83 245 9 VAL CB C 33.51 0.027 1 84 245 9 VAL CG1 C 20.893 0.122 1 85 245 9 VAL N N 126.167 0.07 1 86 246 10 LEU H H 8.84 0.017 1 87 246 10 LEU HG H 0.818 0.001 1 88 246 10 LEU HD1 H 0.742 0.001 1 89 246 10 LEU CA C 51.464 0 1 90 246 10 LEU CB C 40.785 0 1 91 246 10 LEU CG C 26.126 0.066 1 92 246 10 LEU CD1 C 22.209 0.027 1 93 246 10 LEU N N 126.699 0.06 1 94 247 11 PRO HA H 4.417 0.006 1 95 247 11 PRO HB2 H 2.268 0.008 2 96 247 11 PRO HB3 H 1.783 0.006 2 97 247 11 PRO HG2 H 2.112 0.002 1 98 247 11 PRO HD2 H 3.599 0.008 1 99 247 11 PRO CA C 62.952 0.049 1 100 247 11 PRO CB C 32.491 0.047 1 101 247 11 PRO CG C 27.294 0.048 1 102 247 11 PRO CD C 50.751 0.018 1 103 248 12 GLU H H 8.348 0.009 1 104 248 12 GLU HA H 4.515 0.007 1 105 248 12 GLU HB2 H 1.967 0.004 2 106 248 12 GLU HB3 H 1.825 0.012 2 107 248 12 GLU HG2 H 2.149 0.006 2 108 248 12 GLU HG3 H 2.231 0.002 2 109 248 12 GLU CA C 55.964 0.103 1 110 248 12 GLU CB C 30.743 0.075 1 111 248 12 GLU CG C 36.311 0.054 1 112 248 12 GLU N N 121.641 0.051 1 113 249 13 LYS H H 7.299 0.019 1 114 249 13 LYS HA H 4.29 0.007 1 115 249 13 LYS HB2 H 1.159 0.008 2 116 249 13 LYS HB3 H 0.071 0.008 2 117 249 13 LYS HG2 H 0.457 0.008 2 118 249 13 LYS HG3 H 0.693 0.008 2 119 249 13 LYS HD2 H 0.965 0.012 2 120 249 13 LYS HD3 H 0.98 0.002 2 121 249 13 LYS HE2 H 2.548 0.008 2 122 249 13 LYS HE3 H 2.61 0.007 2 123 249 13 LYS CA C 55.006 0.059 1 124 249 13 LYS CB C 34.659 0.068 1 125 249 13 LYS CG C 24.046 0.061 1 126 249 13 LYS CD C 28.34 0.054 1 127 249 13 LYS CE C 41.725 0.177 1 128 249 13 LYS N N 121.53 0.024 1 129 250 14 ASP H H 8.21 0.01 1 130 250 14 ASP HA H 4.599 0.017 1 131 250 14 ASP HB2 H 2.611 0.016 2 132 250 14 ASP HB3 H 2.648 0.004 2 133 250 14 ASP CA C 54.852 0.052 1 134 250 14 ASP CB C 41.496 0.084 1 135 250 14 ASP N N 118.237 0.07 1 136 251 15 SER H H 7.2 0.018 1 137 251 15 SER HA H 4.57 0.005 1 138 251 15 SER HB2 H 3.63 0.011 2 139 251 15 SER HB3 H 3.673 0.007 2 140 251 15 SER CA C 57.09 0.076 1 141 251 15 SER CB C 64.423 0.047 1 142 251 15 SER N N 113.151 0.055 1 143 252 16 TRP H H 9.192 0.012 1 144 252 16 TRP HA H 4.718 0.006 1 145 252 16 TRP HB2 H 3.16 0.007 1 146 252 16 TRP HD1 H 7.126 0.021 1 147 252 16 TRP HE1 H 9.97 0.014 1 148 252 16 TRP HE3 H 7.364 0.008 1 149 252 16 TRP HZ2 H 7.442 0.001 1 150 252 16 TRP HZ3 H 6.883 0.008 1 151 252 16 TRP HH2 H 7.018 0.008 1 152 252 16 TRP CA C 56.625 0.044 1 153 252 16 TRP CB C 31.192 0.04 1 154 252 16 TRP N N 125.926 0.03 1 155 252 16 TRP NE1 N 130.512 0.036 1 156 253 17 THR H H 9.002 0.015 1 157 253 17 THR HA H 5.518 0.006 1 158 253 17 THR HB H 4.582 0.01 1 159 253 17 THR HG2 H 1.19 0.011 1 160 253 17 THR CA C 59.794 0.052 1 161 253 17 THR CB C 73.167 0.098 1 162 253 17 THR CG2 C 22.049 0.017 1 163 253 17 THR N N 111.026 0.039 1 164 254 18 VAL H H 8.426 0.017 1 165 254 18 VAL HA H 3.459 0.008 1 166 254 18 VAL HB H 2.324 0.01 1 167 254 18 VAL HG1 H 1.148 0.014 2 168 254 18 VAL HG2 H 0.883 0.012 2 169 254 18 VAL CA C 67.519 0.034 1 170 254 18 VAL CB C 32.043 0.081 1 171 254 18 VAL CG1 C 24.278 0.018 2 172 254 18 VAL CG2 C 21.371 0.042 2 173 254 18 VAL N N 121.538 0.051 1 174 255 19 ASN H H 8.558 0.012 1 175 255 19 ASN HA H 4.403 0.012 1 176 255 19 ASN HB2 H 2.759 0.016 2 177 255 19 ASN HB3 H 2.824 0.006 2 178 255 19 ASN HD21 H 6.968 0.011 1 179 255 19 ASN HD22 H 7.637 0.01 1 180 255 19 ASN CA C 56.657 0.101 1 181 255 19 ASN CB C 39.759 0.018 1 182 255 19 ASN N N 116.247 0.059 1 183 255 19 ASN ND2 N 112.933 0.069 1 184 256 20 ASP H H 7.941 0.014 1 185 256 20 ASP HA H 4.413 0.01 1 186 256 20 ASP HB2 H 3.519 0.012 2 187 256 20 ASP HB3 H 3.01 0.013 2 188 256 20 ASP CA C 57.958 0.05 1 189 256 20 ASP CB C 42.679 0.104 1 190 256 20 ASP N N 116.995 0.042 1 191 257 21 ILE H H 8.638 0.013 1 192 257 21 ILE HA H 3.799 0.007 1 193 257 21 ILE HB H 2.09 0.009 1 194 257 21 ILE HG12 H 1.224 0.015 2 195 257 21 ILE HG13 H 1.684 0.008 2 196 257 21 ILE HG2 H 0.775 0.006 1 197 257 21 ILE HD1 H 0.466 0.009 1 198 257 21 ILE CA C 64.053 0.027 1 199 257 21 ILE CB C 36.598 0.058 1 200 257 21 ILE CG1 C 28.655 0.052 1 201 257 21 ILE CG2 C 18.149 0.031 1 202 257 21 ILE CD1 C 11.164 0.046 1 203 257 21 ILE N N 121.408 0.038 1 204 258 22 GLN H H 9.053 0.015 1 205 258 22 GLN HA H 3.92 0.01 1 206 258 22 GLN HB2 H 2.148 0.01 2 207 258 22 GLN HB3 H 2.355 0.01 2 208 258 22 GLN HG2 H 2.597 0.006 2 209 258 22 GLN HG3 H 2.363 0.008 2 210 258 22 GLN HE21 H 6.637 0.009 1 211 258 22 GLN HE22 H 7.241 0.008 1 212 258 22 GLN CA C 60.221 0.043 1 213 258 22 GLN CB C 28.212 0.036 1 214 258 22 GLN CG C 34.535 0.064 1 215 258 22 GLN N N 120.991 0.023 1 216 258 22 GLN NE2 N 109.675 0.031 1 217 259 23 LYS H H 8.213 0.008 1 218 259 23 LYS HA H 4.122 0.004 1 219 259 23 LYS HB2 H 1.926 0.002 2 220 259 23 LYS HB3 H 2.041 0.007 2 221 259 23 LYS HG2 H 1.507 0.003 2 222 259 23 LYS HG3 H 1.724 0.011 2 223 259 23 LYS HD2 H 1.724 0.003 1 224 259 23 LYS HE2 H 2.961 0.002 2 225 259 23 LYS HE3 H 3.002 0.001 2 226 259 23 LYS CA C 59.521 0.014 1 227 259 23 LYS CB C 32.735 0.023 1 228 259 23 LYS CG C 25.746 0.048 1 229 259 23 LYS CD C 29.185 0.001 1 230 259 23 LYS CE C 41.803 0 1 231 259 23 LYS N N 119.491 0.043 1 232 260 24 LEU H H 8.254 0.013 1 233 260 24 LEU HA H 4.158 0.01 1 234 260 24 LEU HB2 H 1.896 0.008 2 235 260 24 LEU HB3 H 2.069 0.008 2 236 260 24 LEU HG H 1.558 0.009 1 237 260 24 LEU HD1 H 0.939 0.012 2 238 260 24 LEU HD2 H 0.709 0.007 2 239 260 24 LEU CA C 58.39 0.031 1 240 260 24 LEU CB C 42.661 0.052 1 241 260 24 LEU CG C 27.067 0.019 1 242 260 24 LEU CD1 C 24.353 0.058 2 243 260 24 LEU CD2 C 26.629 0.051 2 244 260 24 LEU N N 123.38 0.087 1 245 261 25 VAL H H 8.967 0.012 1 246 261 25 VAL HA H 3.435 0.01 1 247 261 25 VAL HB H 2.108 0.014 1 248 261 25 VAL HG1 H 0.872 0.006 2 249 261 25 VAL HG2 H 0.887 0.005 2 250 261 25 VAL CA C 67.51 0.031 1 251 261 25 VAL CB C 31.682 0.106 1 252 261 25 VAL CG1 C 21.307 0.055 2 253 261 25 VAL CG2 C 24.277 0.065 2 254 261 25 VAL N N 119.194 0.03 1 255 262 26 GLY H H 8.082 0.014 1 256 262 26 GLY HA2 H 3.97 0.007 1 257 262 26 GLY CA C 47.646 0.041 1 258 262 26 GLY N N 106.307 0.057 1 259 263 27 LYS H H 8.068 0.015 1 260 263 27 LYS HA H 4.27 0.01 1 261 263 27 LYS HB2 H 1.954 0.003 2 262 263 27 LYS HB3 H 2.045 0.004 2 263 263 27 LYS HG2 H 1.466 0.009 2 264 263 27 LYS HG3 H 1.572 0.005 2 265 263 27 LYS HD2 H 1.719 0.006 2 266 263 27 LYS HD3 H 1.682 0.001 2 267 263 27 LYS HE2 H 2.965 0.007 1 268 263 27 LYS CA C 59.204 0.048 1 269 263 27 LYS CB C 32.356 0.063 1 270 263 27 LYS CG C 24.949 0.035 1 271 263 27 LYS CD C 29.43 0.038 1 272 263 27 LYS CE C 42.054 0.045 1 273 263 27 LYS N N 123.845 0.054 1 274 264 28 LEU H H 8.723 0.012 1 275 264 28 LEU HA H 4.051 0.011 1 276 264 28 LEU HB2 H 1.126 0.01 2 277 264 28 LEU HB3 H 1.914 0.009 2 278 264 28 LEU HG H 0.744 0.002 1 279 264 28 LEU HD1 H 0.83 0.008 2 280 264 28 LEU HD2 H 0.942 0 2 281 264 28 LEU CA C 57.682 0.061 1 282 264 28 LEU CB C 41.331 0.107 1 283 264 28 LEU CG C 26.955 0.041 1 284 264 28 LEU CD1 C 23.014 0.036 2 285 264 28 LEU CD2 C 24.388 0.014 2 286 264 28 LEU N N 120.005 0.034 1 287 265 29 ASN H H 9.025 0.012 1 288 265 29 ASN HA H 4.472 0.007 1 289 265 29 ASN HB2 H 2.986 0.012 2 290 265 29 ASN HB3 H 2.78 0.007 2 291 265 29 ASN HD21 H 6.683 0.013 1 292 265 29 ASN HD22 H 7.403 0.01 1 293 265 29 ASN CA C 56.179 0.035 1 294 265 29 ASN CB C 37.898 0.061 1 295 265 29 ASN N N 119.375 0.05 1 296 265 29 ASN ND2 N 110.566 0.056 1 297 266 30 TRP H H 7.944 0.014 1 298 266 30 TRP HA H 4.401 0.008 1 299 266 30 TRP HB2 H 3.393 0.007 2 300 266 30 TRP HB3 H 3.657 0.009 2 301 266 30 TRP HD1 H 7.292 0.014 1 302 266 30 TRP HE1 H 10.066 0.016 1 303 266 30 TRP HE3 H 7.664 0.014 1 304 266 30 TRP HZ3 H 7.047 0.013 1 305 266 30 TRP CA C 61.311 0.06 1 306 266 30 TRP CB C 28.192 0.078 1 307 266 30 TRP N N 122.973 0.049 1 308 266 30 TRP NE1 N 129.942 0.055 1 309 267 31 ALA H H 8.848 0.015 1 310 267 31 ALA HA H 3.658 0.006 1 311 267 31 ALA HB H 1.566 0.008 1 312 267 31 ALA CA C 54.736 0.064 1 313 267 31 ALA CB C 18.322 0.087 1 314 267 31 ALA N N 121.129 0.054 1 315 268 32 SER H H 8.423 0.015 1 316 268 32 SER HA H 4.496 0.013 1 317 268 32 SER HB2 H 3.96 0.008 2 318 268 32 SER HB3 H 4.118 0.01 2 319 268 32 SER CA C 60.544 0.058 1 320 268 32 SER CB C 62.947 0.099 1 321 268 32 SER N N 114.744 0.048 1 322 269 33 GLN H H 7.326 0.02 1 323 269 33 GLN HA H 4.08 0.011 1 324 269 33 GLN HB2 H 1.86 0.004 2 325 269 33 GLN HB3 H 2.023 0.008 2 326 269 33 GLN HG2 H 2.271 0.003 2 327 269 33 GLN HG3 H 2.41 0.008 2 328 269 33 GLN HE21 H 6.594 0.01 1 329 269 33 GLN HE22 H 7.142 0.014 1 330 269 33 GLN CA C 57.435 0.045 1 331 269 33 GLN CB C 29.253 0.036 1 332 269 33 GLN CG C 34.457 0.052 1 333 269 33 GLN N N 118.202 0.039 1 334 269 33 GLN NE2 N 110.985 0.044 1 335 270 34 ILE H H 7.269 0.016 1 336 270 34 ILE HA H 3.969 0.009 1 337 270 34 ILE HB H 1.525 0.008 1 338 270 34 ILE HG12 H 0.632 0.007 2 339 270 34 ILE HG13 H 1.084 0.007 2 340 270 34 ILE HG2 H 0.34 0.006 1 341 270 34 ILE HD1 H 0.422 0.009 1 342 270 34 ILE CA C 61.729 0.035 1 343 270 34 ILE CB C 40.102 0.057 1 344 270 34 ILE CG1 C 27.064 0.071 1 345 270 34 ILE CG2 C 17.973 0.047 1 346 270 34 ILE CD1 C 13.473 0.042 1 347 270 34 ILE N N 114.958 0.049 1 348 271 35 TYR H H 8.088 0.017 1 349 271 35 TYR HA H 4.76 0.025 1 350 271 35 TYR HB2 H 2.664 0.005 1 351 271 35 TYR HD1 H 7.058 0.008 1 352 271 35 TYR HD2 H 7.058 0.008 1 353 271 35 TYR HE1 H 6.754 0.011 1 354 271 35 TYR HE2 H 6.754 0.011 1 355 271 35 TYR CA C 55.291 0 1 356 271 35 TYR CB C 39.244 0.016 1 357 271 35 TYR N N 119.951 0.065 1 358 272 36 PRO HA H 4.554 0.011 1 359 272 36 PRO HB2 H 2.271 0.006 2 360 272 36 PRO HB3 H 1.884 0.011 2 361 272 36 PRO HG2 H 1.885 0.007 2 362 272 36 PRO HG3 H 1.988 0.005 2 363 272 36 PRO HD2 H 3.609 0.005 2 364 272 36 PRO HD3 H 3.722 0.011 2 365 272 36 PRO CA C 63.389 0.025 1 366 272 36 PRO CB C 31.912 0.034 1 367 272 36 PRO CG C 27.239 0.072 1 368 272 36 PRO CD C 50.669 0.014 1 369 273 37 GLY H H 8.552 0.014 1 370 273 37 GLY HA2 H 3.852 0.006 1 371 273 37 GLY CA C 45.541 0.05 1 372 273 37 GLY N N 106.819 0.029 1 373 274 38 ILE H H 7.525 0.011 1 374 274 38 ILE HA H 3.989 0.011 1 375 274 38 ILE HB H 1.832 0.009 1 376 274 38 ILE HG12 H 1.501 0.014 2 377 274 38 ILE HG13 H 1.331 0.008 2 378 274 38 ILE HG2 H 0.753 0.006 1 379 274 38 ILE HD1 H 0.659 0.01 1 380 274 38 ILE CA C 60.396 0.094 1 381 274 38 ILE CB C 36.816 0.103 1 382 274 38 ILE CG1 C 28.236 0.059 1 383 274 38 ILE CG2 C 18.277 0.074 1 384 274 38 ILE CD1 C 11.289 0.075 1 385 274 38 ILE N N 121.024 0.03 1 386 275 39 LYS H H 8.474 0.017 1 387 275 39 LYS HA H 4.738 0.009 1 388 275 39 LYS HB2 H 1.83 0.012 2 389 275 39 LYS HB3 H 1.914 0.005 2 390 275 39 LYS HG2 H 1.449 0.007 2 391 275 39 LYS HG3 H 1.802 0.002 2 392 275 39 LYS HD2 H 1.623 0.005 2 393 275 39 LYS HD3 H 1.634 0.001 2 394 275 39 LYS HE2 H 3.011 0.004 1 395 275 39 LYS CA C 55.216 0.056 1 396 275 39 LYS CB C 36.65 0.054 1 397 275 39 LYS CG C 24.602 0.065 1 398 275 39 LYS CD C 29.116 0.081 1 399 275 39 LYS CE C 42.248 0.049 1 400 275 39 LYS N N 127.792 0.042 1 401 276 40 VAL H H 8.597 0.013 1 402 276 40 VAL HA H 4.848 0.013 1 403 276 40 VAL HB H 2.29 0.009 1 404 276 40 VAL HG1 H 0.783 0.005 2 405 276 40 VAL HG2 H 0.839 0.006 2 406 276 40 VAL CA C 60.279 0.027 1 407 276 40 VAL CB C 33.768 0.079 1 408 276 40 VAL CG1 C 19.082 0.048 2 409 276 40 VAL CG2 C 23.045 0.095 2 410 276 40 VAL N N 112.766 0.136 1 411 277 41 ARG H H 7.459 0.021 1 412 277 41 ARG HA H 3.966 0.01 1 413 277 41 ARG HB2 H 1.829 0.008 2 414 277 41 ARG HB3 H 1.986 0.007 2 415 277 41 ARG HG2 H 1.529 0.01 2 416 277 41 ARG HG3 H 1.692 0.005 2 417 277 41 ARG HD2 H 3.243 0.004 1 418 277 41 ARG CA C 60.002 0.06 1 419 277 41 ARG CB C 31.483 0.051 1 420 277 41 ARG CG C 27.329 0.059 1 421 277 41 ARG CD C 43.501 0.055 1 422 277 41 ARG N N 126.292 0.039 1 423 278 42 GLN H H 11.479 0.015 1 424 278 42 GLN HA H 4.205 0.006 1 425 278 42 GLN HB2 H 1.555 0.006 2 426 278 42 GLN HB3 H 1.708 0.01 2 427 278 42 GLN HG2 H 2.27 0.006 2 428 278 42 GLN HG3 H 2.476 0.011 2 429 278 42 GLN HE21 H 6.885 0.01 1 430 278 42 GLN HE22 H 7.613 0.013 1 431 278 42 GLN CA C 57.632 0.055 1 432 278 42 GLN CB C 26.113 0.045 1 433 278 42 GLN CG C 32.125 0.077 1 434 278 42 GLN N N 122.239 0.031 1 435 278 42 GLN NE2 N 111.11 0.085 1 436 279 43 LEU H H 9.637 0.012 1 437 279 43 LEU HA H 3.76 0.011 1 438 279 43 LEU HB2 H 1.575 0.011 2 439 279 43 LEU HB3 H 1.033 0.007 2 440 279 43 LEU HG H 1.792 0.008 1 441 279 43 LEU HD1 H 0.774 0.013 2 442 279 43 LEU HD2 H 0.59 0.009 2 443 279 43 LEU CA C 58.11 0.064 1 444 279 43 LEU CB C 42.822 0.072 1 445 279 43 LEU CG C 27.32 0.091 1 446 279 43 LEU CD1 C 25.602 0.095 2 447 279 43 LEU CD2 C 23.857 0.04 2 448 279 43 LEU N N 124.011 0.04 1 449 280 44 SER H H 8.075 0.014 1 450 280 44 SER HA H 3.968 0.007 1 451 280 44 SER HB2 H 3.82 0.021 1 452 280 44 SER CA C 62.569 0.045 1 453 280 44 SER CB C 62.778 0.032 1 454 280 44 SER N N 110.344 0.054 1 455 281 45 LYS H H 7.429 0.018 1 456 281 45 LYS HA H 3.957 0.006 1 457 281 45 LYS HB2 H 1.92 0.004 2 458 281 45 LYS HB3 H 1.679 0.002 2 459 281 45 LYS HG2 H 1.416 0.003 2 460 281 45 LYS HG3 H 1.681 0.001 2 461 281 45 LYS HD2 H 1.689 0.005 1 462 281 45 LYS HE2 H 2.888 0.002 2 463 281 45 LYS HE3 H 2.957 0.003 2 464 281 45 LYS CA C 59.282 0.034 1 465 281 45 LYS CB C 32.701 0.038 1 466 281 45 LYS CG C 25.395 0.034 1 467 281 45 LYS CD C 29.825 0.063 1 468 281 45 LYS CE C 42.021 0.017 1 469 281 45 LYS N N 122.233 0.027 1 470 282 46 LEU H H 7.297 0.016 1 471 282 46 LEU HA H 4.102 0.008 1 472 282 46 LEU HB2 H 1.974 0.011 2 473 282 46 LEU HB3 H 1.557 0.006 2 474 282 46 LEU HD1 H 0.892 0.008 2 475 282 46 LEU HD2 H 0.95 0.005 2 476 282 46 LEU CA C 56.311 0.057 1 477 282 46 LEU CB C 41.198 0.105 1 478 282 46 LEU CD1 C 27.302 0.084 2 479 282 46 LEU CD2 C 23.09 0.034 2 480 282 46 LEU N N 116.276 0.068 1 481 283 47 LEU H H 7.114 0.016 1 482 283 47 LEU HA H 4.255 0.006 1 483 283 47 LEU HB2 H 1.668 0.011 2 484 283 47 LEU HB3 H 1.892 0.006 2 485 283 47 LEU HD1 H 0.863 0.006 2 486 283 47 LEU HD2 H 0.922 0.004 2 487 283 47 LEU CA C 54.347 0.048 1 488 283 47 LEU CB C 41.668 0.084 1 489 283 47 LEU CD1 C 23.472 0.06 2 490 283 47 LEU CD2 C 25.815 0.032 2 491 283 47 LEU N N 113.844 0.067 1 492 284 48 ARG H H 7.285 0.016 1 493 284 48 ARG HA H 4.253 0.005 1 494 284 48 ARG HB2 H 1.855 0.013 2 495 284 48 ARG HB3 H 1.907 0.008 2 496 284 48 ARG HG2 H 1.767 0.002 2 497 284 48 ARG HG3 H 1.672 0.005 2 498 284 48 ARG HD2 H 3.227 0.006 1 499 284 48 ARG CA C 57.18 0.053 1 500 284 48 ARG CB C 30.636 0.073 1 501 284 48 ARG CG C 27.172 0.026 1 502 284 48 ARG CD C 43.62 0.048 1 503 284 48 ARG N N 120.048 0.042 1 504 285 49 GLY H H 8.506 0.011 1 505 285 49 GLY HA2 H 3.939 0.008 1 506 285 49 GLY CA C 45.256 0.065 1 507 285 49 GLY N N 110.822 0.078 1 508 286 50 THR H H 8.027 0.017 1 509 286 50 THR HA H 4.412 0.012 1 510 286 50 THR HB H 4.274 0.017 1 511 286 50 THR HG2 H 1.189 0.011 1 512 286 50 THR CA C 61.599 0.053 1 513 286 50 THR CB C 69.871 0.127 1 514 286 50 THR CG2 C 22.022 0.071 1 515 286 50 THR N N 112.981 0.039 1 516 287 51 LYS H H 8.54 0.013 1 517 287 51 LYS HA H 4.458 0.008 1 518 287 51 LYS HB2 H 1.749 0.02 2 519 287 51 LYS HB3 H 1.818 0.01 2 520 287 51 LYS HG2 H 1.43 0.003 2 521 287 51 LYS HG3 H 1.637 0.001 2 522 287 51 LYS HD2 H 1.624 0.009 2 523 287 51 LYS HD3 H 1.806 0.007 2 524 287 51 LYS HE2 H 3.016 0.004 1 525 287 51 LYS CA C 56.334 0.035 1 526 287 51 LYS CB C 35.169 0.027 1 527 287 51 LYS CG C 25.126 0.068 1 528 287 51 LYS CD C 29.166 0.044 1 529 287 51 LYS CE C 42.396 0 1 530 287 51 LYS N N 122.878 0.045 1 531 288 52 ALA H H 8.518 0.01 1 532 288 52 ALA HA H 4.466 0.014 1 533 288 52 ALA HB H 1.512 0.006 1 534 288 52 ALA CA C 51.952 0.064 1 535 288 52 ALA CB C 20.017 0.035 1 536 288 52 ALA N N 123.914 0.033 1 537 289 53 LEU H H 8.483 0.01 1 538 289 53 LEU HA H 3.949 0.006 1 539 289 53 LEU HB2 H 1.829 0.007 2 540 289 53 LEU HB3 H 1.507 0.005 2 541 289 53 LEU HG H 1.821 0.007 1 542 289 53 LEU HD1 H 0.89 0.017 2 543 289 53 LEU HD2 H 0.957 0.008 2 544 289 53 LEU CA C 57.78 0.065 1 545 289 53 LEU CB C 42.595 0.096 1 546 289 53 LEU CG C 27.36 0.046 1 547 289 53 LEU CD1 C 23.108 0.044 2 548 289 53 LEU CD2 C 25.14 0.049 2 549 289 53 LEU N N 119.238 0.033 1 550 290 54 THR H H 7.23 0.017 1 551 290 54 THR HA H 4.267 0.008 1 552 290 54 THR HB H 4.54 0.009 1 553 290 54 THR HG2 H 1.233 0.008 1 554 290 54 THR CA C 60.725 0.05 1 555 290 54 THR CB C 69.2 0.078 1 556 290 54 THR CG2 C 22.015 0.043 1 557 290 54 THR N N 101.922 0.043 1 558 291 55 GLU H H 7.455 0.014 1 559 291 55 GLU HA H 4.185 0.011 1 560 291 55 GLU HB2 H 2.103 0.01 1 561 291 55 GLU HG2 H 2.27 0.003 2 562 291 55 GLU HG3 H 2.359 0.005 2 563 291 55 GLU CA C 57.34 0.08 1 564 291 55 GLU CB C 30.652 0.041 1 565 291 55 GLU CG C 37.073 0.105 1 566 291 55 GLU N N 122.981 0.037 1 567 292 56 VAL H H 8.387 0.015 1 568 292 56 VAL HA H 4.348 0.012 1 569 292 56 VAL HB H 1.931 0.01 1 570 292 56 VAL HG1 H 0.892 0.008 2 571 292 56 VAL HG2 H 0.965 0.007 2 572 292 56 VAL CA C 62.738 0.027 1 573 292 56 VAL CB C 32.289 0.036 1 574 292 56 VAL CG1 C 21.406 0.063 2 575 292 56 VAL CG2 C 22.089 0.094 2 576 292 56 VAL N N 124.283 0.044 1 577 293 57 ILE H H 8.938 0.01 1 578 293 57 ILE HA H 4.788 0.009 1 579 293 57 ILE HB H 1.827 0.008 1 580 293 57 ILE HG12 H 1.221 0.014 2 581 293 57 ILE HG13 H 1.368 0.005 2 582 293 57 ILE HG2 H 0.854 0.003 1 583 293 57 ILE HD1 H 0.783 0.004 1 584 293 57 ILE CA C 56.091 0.016 1 585 293 57 ILE CB C 40.119 0.056 1 586 293 57 ILE CG1 C 26.543 0.023 1 587 293 57 ILE CG2 C 17.944 0.045 1 588 293 57 ILE CD1 C 13.092 0.02 1 589 293 57 ILE N N 128.304 0.073 1 590 294 58 PRO CA C 61.861 0.005 1 591 294 58 PRO CB C 31.634 0.019 1 592 295 59 LEU H H 8.592 0.016 1 593 295 59 LEU HA H 4.105 0.009 1 594 295 59 LEU HB2 H 1.754 0.009 2 595 295 59 LEU HB3 H 1.311 0.01 2 596 295 59 LEU HG H 1.564 0.009 1 597 295 59 LEU HD1 H 0.241 0.009 2 598 295 59 LEU HD2 H 0.414 0.009 2 599 295 59 LEU CA C 55.941 0.068 1 600 295 59 LEU CB C 41.424 0.089 1 601 295 59 LEU CG C 28.074 0.168 1 602 295 59 LEU CD1 C 22.692 0.045 2 603 295 59 LEU CD2 C 25.116 0.031 2 604 295 59 LEU N N 122.579 0.043 1 605 296 60 THR H H 6.301 0.013 1 606 296 60 THR HA H 4.375 0.007 1 607 296 60 THR HB H 4.763 0.026 1 608 296 60 THR HG2 H 1.354 0.013 1 609 296 60 THR CA C 59.894 0.061 1 610 296 60 THR CB C 70.962 0.121 1 611 296 60 THR CG2 C 22.849 0.017 1 612 296 60 THR N N 110.627 0.026 1 613 297 61 GLU H H 9.172 0.01 1 614 297 61 GLU HA H 4.04 0.007 1 615 297 61 GLU HB2 H 2.054 0.007 2 616 297 61 GLU HB3 H 1.968 0.003 2 617 297 61 GLU HG2 H 2.253 0.003 2 618 297 61 GLU HG3 H 2.337 0.003 2 619 297 61 GLU CA C 60.068 0.131 1 620 297 61 GLU CB C 29.484 0.055 1 621 297 61 GLU CG C 36.614 0.068 1 622 297 61 GLU N N 123.025 0.034 1 623 298 62 GLU H H 9.374 0.013 1 624 298 62 GLU HA H 3.95 0.007 1 625 298 62 GLU HB2 H 1.78 0.011 2 626 298 62 GLU HB3 H 1.893 0.01 2 627 298 62 GLU HG2 H 2.282 0.008 2 628 298 62 GLU HG3 H 2.414 0.002 2 629 298 62 GLU CA C 60.405 0.065 1 630 298 62 GLU CB C 28.502 0.036 1 631 298 62 GLU CG C 37.141 0.06 1 632 298 62 GLU N N 116.556 0.031 1 633 299 63 ALA H H 7.865 0.011 1 634 299 63 ALA HA H 3.861 0.009 1 635 299 63 ALA HB H 1.271 0.008 1 636 299 63 ALA CA C 55.096 0.09 1 637 299 63 ALA CB C 18.628 0.039 1 638 299 63 ALA N N 123.079 0.026 1 639 300 64 GLU H H 8.488 0.016 1 640 300 64 GLU HA H 3.886 0.009 1 641 300 64 GLU HB2 H 2.147 0.013 2 642 300 64 GLU HB3 H 2.064 0.005 2 643 300 64 GLU HG2 H 2.323 0.005 2 644 300 64 GLU HG3 H 2.147 0.006 2 645 300 64 GLU CA C 60.062 0.059 1 646 300 64 GLU CB C 29.388 0.076 1 647 300 64 GLU CG C 36.586 0.037 1 648 300 64 GLU N N 118.779 0.062 1 649 301 65 LEU H H 8.064 0.013 1 650 301 65 LEU HA H 4.162 0.007 1 651 301 65 LEU HB2 H 1.641 0.009 2 652 301 65 LEU HB3 H 1.723 0.009 2 653 301 65 LEU HG H 1.732 0.003 1 654 301 65 LEU HD1 H 0.884 0.004 2 655 301 65 LEU HD2 H 0.9 0.007 2 656 301 65 LEU CA C 57.964 0.031 1 657 301 65 LEU CB C 41.657 0.053 1 658 301 65 LEU CG C 26.887 0.116 1 659 301 65 LEU CD1 C 23.805 0.016 2 660 301 65 LEU CD2 C 24.641 0.043 2 661 301 65 LEU N N 120.865 0.028 1 662 302 66 GLU H H 7.571 0.016 1 663 302 66 GLU HA H 4.037 0.006 1 664 302 66 GLU HB2 H 2.036 0.007 2 665 302 66 GLU HB3 H 2.218 0.013 2 666 302 66 GLU HG2 H 2.502 0.013 2 667 302 66 GLU HG3 H 2.227 0.006 2 668 302 66 GLU CA C 59.993 0.125 1 669 302 66 GLU CB C 31.773 0.06 1 670 302 66 GLU CG C 36.718 0.087 1 671 302 66 GLU N N 121.087 0.177 1 672 303 67 LEU H H 8.388 0.012 1 673 303 67 LEU HA H 3.875 0.009 1 674 303 67 LEU HB2 H 1.529 0.009 2 675 303 67 LEU HB3 H 1.952 0.008 2 676 303 67 LEU HG H 1.639 0.004 1 677 303 67 LEU HD1 H 0.8 0.004 2 678 303 67 LEU HD2 H 0.853 0.011 2 679 303 67 LEU CA C 58.876 0.046 1 680 303 67 LEU CB C 42.006 0.052 1 681 303 67 LEU CG C 27.363 0.039 1 682 303 67 LEU CD1 C 25.782 0.03 2 683 303 67 LEU CD2 C 24.098 0.024 2 684 303 67 LEU N N 119.014 0.047 1 685 304 68 ALA H H 8.146 0.014 1 686 304 68 ALA HA H 4.063 0.008 1 687 304 68 ALA HB H 1.581 0.005 1 688 304 68 ALA CA C 55.815 0.148 1 689 304 68 ALA CB C 18.121 0.07 1 690 304 68 ALA N N 120.864 0.039 1 691 305 69 GLU H H 8.403 0.012 1 692 305 69 GLU HA H 4.046 0.009 1 693 305 69 GLU HB2 H 2.052 0.017 2 694 305 69 GLU HB3 H 2.222 0.007 2 695 305 69 GLU HG2 H 2.5 0.005 2 696 305 69 GLU HG3 H 2.042 0.014 2 697 305 69 GLU CA C 59.782 0.046 1 698 305 69 GLU CB C 29.097 0.067 1 699 305 69 GLU CG C 36.695 0.04 1 700 305 69 GLU N N 119.905 0.052 1 701 306 70 ASN H H 8.392 0.014 1 702 306 70 ASN HA H 4.478 0.007 1 703 306 70 ASN HB2 H 2.263 0.011 2 704 306 70 ASN HB3 H 2.933 0.015 2 705 306 70 ASN HD21 H 5.187 0.004 1 706 306 70 ASN HD22 H 9.05 0.012 1 707 306 70 ASN CA C 55.877 0.1 1 708 306 70 ASN CB C 38.582 0.078 1 709 306 70 ASN N N 118.165 0.081 1 710 306 70 ASN ND2 N 112.123 0.09 1 711 307 71 ARG H H 8.514 0.015 1 712 307 71 ARG HA H 3.772 0.009 1 713 307 71 ARG HB2 H 1.991 0.014 2 714 307 71 ARG HB3 H 1.828 0.012 2 715 307 71 ARG HG2 H 1.602 0.011 2 716 307 71 ARG HG3 H 1.952 0.002 2 717 307 71 ARG HD2 H 3.179 0.006 2 718 307 71 ARG HD3 H 3.322 0.007 2 719 307 71 ARG CA C 60.484 0.077 1 720 307 71 ARG CB C 30.279 0.106 1 721 307 71 ARG CG C 28.896 0.076 1 722 307 71 ARG CD C 43.463 0.02 1 723 307 71 ARG N N 118.52 0.067 1 724 308 72 GLU H H 7.434 0.015 1 725 308 72 GLU HA H 4.033 0.005 1 726 308 72 GLU HB2 H 2.168 0.004 1 727 308 72 GLU HG2 H 2.393 0.006 1 728 308 72 GLU CA C 58.892 0.047 1 729 308 72 GLU CB C 29.381 0.111 1 730 308 72 GLU CG C 35.863 0.066 1 731 308 72 GLU N N 116.896 0.056 1 732 309 73 ILE H H 7.731 0.013 1 733 309 73 ILE HA H 3.691 0.007 1 734 309 73 ILE HB H 1.911 0.006 1 735 309 73 ILE HG12 H 1.152 0.005 2 736 309 73 ILE HG13 H 0.828 0.006 2 737 309 73 ILE HG2 H 0.82 0.015 1 738 309 73 ILE HD1 H 0.826 0.008 1 739 309 73 ILE CA C 64.873 0.036 1 740 309 73 ILE CB C 38.347 0.061 1 741 309 73 ILE CG1 C 29.263 0.1 1 742 309 73 ILE CG2 C 17.751 0.028 1 743 309 73 ILE CD1 C 13.568 0.033 1 744 309 73 ILE N N 121.622 0.042 1 745 310 74 LEU H H 7.336 0.021 1 746 310 74 LEU HA H 3.64 0.012 1 747 310 74 LEU HB2 H 1.555 0.012 1 748 310 74 LEU HG H 1.547 0.014 1 749 310 74 LEU HD1 H 0.568 0.008 2 750 310 74 LEU HD2 H 0.156 0.005 2 751 310 74 LEU CA C 55.618 0.061 1 752 310 74 LEU CB C 41.631 0.034 1 753 310 74 LEU CG C 26.291 0.081 1 754 310 74 LEU CD1 C 25.755 0.041 2 755 310 74 LEU CD2 C 22.476 0.013 2 756 310 74 LEU N N 115.168 0.069 1 757 311 75 LYS H H 7.286 0.013 1 758 311 75 LYS HA H 4.172 0.006 1 759 311 75 LYS HB2 H 1.696 0.005 2 760 311 75 LYS HB3 H 1.929 0.003 2 761 311 75 LYS HG2 H 1.501 0.005 1 762 311 75 LYS HD2 H 1.664 0.013 2 763 311 75 LYS HD3 H 1.735 0.001 2 764 311 75 LYS HE2 H 2.976 0.006 1 765 311 75 LYS CA C 57.875 0.117 1 766 311 75 LYS CB C 33.244 0.1 1 767 311 75 LYS CG C 25.165 0.033 1 768 311 75 LYS CD C 29.827 0.005 1 769 311 75 LYS CE C 41.848 0.002 1 770 311 75 LYS N N 118.053 0.058 1 771 312 76 GLU H H 7.569 0.01 1 772 312 76 GLU HA H 4.679 0.018 1 773 312 76 GLU HB2 H 2.161 0.002 2 774 312 76 GLU HB3 H 2.087 0.002 2 775 312 76 GLU HG2 H 2.436 0.004 2 776 312 76 GLU HG3 H 2.334 0.002 2 777 312 76 GLU CA C 54.195 0 1 778 312 76 GLU CB C 30.35 0.003 1 779 312 76 GLU CG C 35.933 0.025 1 780 312 76 GLU N N 120.654 0.068 1 781 313 77 PRO HA H 4.5 0.008 1 782 313 77 PRO HB2 H 2.132 0.009 2 783 313 77 PRO HB3 H 1.733 0.005 2 784 313 77 PRO HG2 H 1.966 0.007 1 785 313 77 PRO HD2 H 3.857 0.012 2 786 313 77 PRO HD3 H 3.72 0.01 2 787 313 77 PRO CA C 63.009 0.01 1 788 313 77 PRO CB C 32.16 0.059 1 789 313 77 PRO CG C 27.355 0.014 1 790 313 77 PRO CD C 50.636 0.075 1 791 314 78 VAL H H 8.042 0.014 1 792 314 78 VAL HA H 4.001 0.006 1 793 314 78 VAL HB H 1.875 0.005 1 794 314 78 VAL HG1 H 0.741 0.012 2 795 314 78 VAL HG2 H 0.782 0.003 2 796 314 78 VAL CA C 62.253 0.038 1 797 314 78 VAL CB C 32.832 0.111 1 798 314 78 VAL CG2 C 20.853 0.086 1 799 314 78 VAL N N 119.703 0.058 1 800 315 79 HIS H H 8.324 0.016 1 801 315 79 HIS HA H 4.697 0.025 1 802 315 79 HIS HB2 H 3.06 0.017 2 803 315 79 HIS HB3 H 3.117 0.005 2 804 315 79 HIS CA C 56.013 0.033 1 805 315 79 HIS CB C 30.721 0.049 1 806 315 79 HIS N N 122.452 0.084 1 807 316 80 GLY H H 8.245 0.016 1 808 316 80 GLY HA2 H 3.847 0.011 1 809 316 80 GLY CA C 45.54 0.06 1 810 316 80 GLY N N 109.536 0.037 1 811 317 81 VAL H H 7.859 0.01 1 812 317 81 VAL HA H 4.1 0.014 1 813 317 81 VAL HB H 1.937 0.009 1 814 317 81 VAL HG1 H 0.79 0.014 1 815 317 81 VAL CA C 62.203 0.097 1 816 317 81 VAL CB C 32.928 0.07 1 817 317 81 VAL CG1 C 20.976 0.085 1 818 317 81 VAL N N 118.806 0.062 1 819 318 82 TYR H H 8.249 0.014 1 820 318 82 TYR HA H 4.559 0.011 1 821 318 82 TYR HB2 H 2.967 0.007 2 822 318 82 TYR HB3 H 2.825 0.013 2 823 318 82 TYR HD1 H 7.016 0.015 1 824 318 82 TYR HD2 H 7.016 0.015 1 825 318 82 TYR HE1 H 6.718 0.01 1 826 318 82 TYR HE2 H 6.718 0.01 1 827 318 82 TYR CA C 57.823 0.062 1 828 318 82 TYR CB C 38.826 0.099 1 829 318 82 TYR N N 123.642 0.079 1 stop_ save_