data_16091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF 30S RIBOSOMAL PROTEIN S8E; FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D ; _BMRB_accession_number 16091 _BMRB_flat_file_name bmr16091.str _Entry_type original _Submission_date 2008-12-24 _Accession_date 2008-12-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Residues 1-20 residues and 44-57 are flexible and not defined.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Rossi Paolo . . 3 Wang Dongyan . . 4 NWOSU CHIOMA . . 5 OWENS LEAH . . 6 Xiao Rong . . 7 Liu Jinfeng . . 8 BARAN MICHAEL C. . 9 SWAPNA G.V.T . . 10 ACTON THOMAS B. . 11 Rost BURKHARD . . 12 MONTELIONE GAETANO T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 530 "13C chemical shifts" 303 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-06-02 update BMRB 'added time domain data' 2009-02-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'SOLUTION STRUCTURE OF 30S RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 MONTELIONE Gaetano . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword '30S RIBOSOMAL PROTEIN S8E' NESG rps8e stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name rps8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rps8e $rps8e 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_rps8e _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rps8e _Molecular_mass 33088.738 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 294 _Mol_residue_sequence ; GDRRVRLIRTRGGNTKVRLA SDTRINVVDPETGKVEIAEI RNVVENTANPHFVRRNIITR GAVVETNLGNVRVTSRPGQD GVINGVLIRELEHHHHHHGD RRVRLIRTRGGNTKVRLASD TRINVVDPETGKVEIAEIRN VVENTANPHFVRRNIITRGA VVETNLGNVRVTSRPGQDGV INGVLIRELEHHHHHHGDRR VRLIRTRGGNTKVRLASDTR INVVDPETGKVEIAEIRNVV ENTANPHFVRRNIITRGAVV ETNLGNVRVTSRPGQDGVIN GVLIRELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 ARG 4 ARG 5 VAL 6 ARG 7 LEU 8 ILE 9 ARG 10 THR 11 ARG 12 GLY 13 GLY 14 ASN 15 THR 16 LYS 17 VAL 18 ARG 19 LEU 20 ALA 21 SER 22 ASP 23 THR 24 ARG 25 ILE 26 ASN 27 VAL 28 VAL 29 ASP 30 PRO 31 GLU 32 THR 33 GLY 34 LYS 35 VAL 36 GLU 37 ILE 38 ALA 39 GLU 40 ILE 41 ARG 42 ASN 43 VAL 44 VAL 45 GLU 46 ASN 47 THR 48 ALA 49 ASN 50 PRO 51 HIS 52 PHE 53 VAL 54 ARG 55 ARG 56 ASN 57 ILE 58 ILE 59 THR 60 ARG 61 GLY 62 ALA 63 VAL 64 VAL 65 GLU 66 THR 67 ASN 68 LEU 69 GLY 70 ASN 71 VAL 72 ARG 73 VAL 74 THR 75 SER 76 ARG 77 PRO 78 GLY 79 GLN 80 ASP 81 GLY 82 VAL 83 ILE 84 ASN 85 GLY 86 VAL 87 LEU 88 ILE 89 ARG 90 GLU 91 LEU 92 GLU 93 HIS 94 HIS 95 HIS 96 HIS 97 HIS 98 HIS 99 GLY 100 ASP 101 ARG 102 ARG 103 VAL 104 ARG 105 LEU 106 ILE 107 ARG 108 THR 109 ARG 110 GLY 111 GLY 112 ASN 113 THR 114 LYS 115 VAL 116 ARG 117 LEU 118 ALA 119 SER 120 ASP 121 THR 122 ARG 123 ILE 124 ASN 125 VAL 126 VAL 127 ASP 128 PRO 129 GLU 130 THR 131 GLY 132 LYS 133 VAL 134 GLU 135 ILE 136 ALA 137 GLU 138 ILE 139 ARG 140 ASN 141 VAL 142 VAL 143 GLU 144 ASN 145 THR 146 ALA 147 ASN 148 PRO 149 HIS 150 PHE 151 VAL 152 ARG 153 ARG 154 ASN 155 ILE 156 ILE 157 THR 158 ARG 159 GLY 160 ALA 161 VAL 162 VAL 163 GLU 164 THR 165 ASN 166 LEU 167 GLY 168 ASN 169 VAL 170 ARG 171 VAL 172 THR 173 SER 174 ARG 175 PRO 176 GLY 177 GLN 178 ASP 179 GLY 180 VAL 181 ILE 182 ASN 183 GLY 184 VAL 185 LEU 186 ILE 187 ARG 188 GLU 189 LEU 190 GLU 191 HIS 192 HIS 193 HIS 194 HIS 195 HIS 196 HIS 197 GLY 198 ASP 199 ARG 200 ARG 201 VAL 202 ARG 203 LEU 204 ILE 205 ARG 206 THR 207 ARG 208 GLY 209 GLY 210 ASN 211 THR 212 LYS 213 VAL 214 ARG 215 LEU 216 ALA 217 SER 218 ASP 219 THR 220 ARG 221 ILE 222 ASN 223 VAL 224 VAL 225 ASP 226 PRO 227 GLU 228 THR 229 GLY 230 LYS 231 VAL 232 GLU 233 ILE 234 ALA 235 GLU 236 ILE 237 ARG 238 ASN 239 VAL 240 VAL 241 GLU 242 ASN 243 THR 244 ALA 245 ASN 246 PRO 247 HIS 248 PHE 249 VAL 250 ARG 251 ARG 252 ASN 253 ILE 254 ILE 255 THR 256 ARG 257 GLY 258 ALA 259 VAL 260 VAL 261 GLU 262 THR 263 ASN 264 LEU 265 GLY 266 ASN 267 VAL 268 ARG 269 VAL 270 THR 271 SER 272 ARG 273 PRO 274 GLY 275 GLN 276 ASP 277 GLY 278 VAL 279 ILE 280 ASN 281 GLY 282 VAL 283 LEU 284 ILE 285 ARG 286 GLU 287 LEU 288 GLU 289 HIS 290 HIS 291 HIS 292 HIS 293 HIS 294 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-09-14 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 16820 S8E 100.00 294 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rps8e 'Methanobacterium thermoautotrophicum' 145262 Archaea . Methanobacterium thermoautotrophicum 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 $rps8e 'recombinant technology' . Escherichia coli . 'pET 21-23C' 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 $rps8e 0.94 mM '[U-100% 13C; U-100% 15N]' 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 $rps8e 1 mM '[U-10% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_1d20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rps8e 0.94 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'geometry optimization' 'peak picking' refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details NYSBC save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details CABM save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1d20 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1d20 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_1d20 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name rps8e _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.63 . 1 2 2 2 ASP HB2 H 2.60 . 2 3 2 2 ASP HB3 H 2.69 . 2 4 2 2 ASP CA C 54.0 . 1 5 2 2 ASP CB C 41.5 . 1 6 3 3 ARG H H 8.51 . 1 7 3 3 ARG HA H 4.28 . 1 8 3 3 ARG HB2 H 1.77 . 2 9 3 3 ARG HB3 H 1.77 . 2 10 3 3 ARG HD2 H 3.18 . 2 11 3 3 ARG HD3 H 3.18 . 2 12 3 3 ARG HG2 H 1.59 . 2 13 3 3 ARG HG3 H 1.59 . 2 14 3 3 ARG CA C 56.3 . 1 15 3 3 ARG CB C 30.3 . 1 16 3 3 ARG CD C 43.1 . 1 17 3 3 ARG CG C 27.0 . 1 18 3 3 ARG N N 122.3 . 1 19 4 4 ARG H H 8.40 . 1 20 4 4 ARG HA H 4.29 . 1 21 4 4 ARG HB2 H 1.78 . 2 22 4 4 ARG HB3 H 1.76 . 2 23 4 4 ARG HD2 H 3.16 . 2 24 4 4 ARG HD3 H 3.16 . 2 25 4 4 ARG HG2 H 1.60 . 2 26 4 4 ARG HG3 H 1.61 . 2 27 4 4 ARG CA C 56.1 . 1 28 4 4 ARG CB C 30.5 . 1 29 4 4 ARG CD C 43.2 . 1 30 4 4 ARG CG C 27.0 . 1 31 4 4 ARG N N 122.3 . 1 32 5 5 VAL H H 8.12 . 1 33 5 5 VAL HA H 4.08 . 1 34 5 5 VAL HB H 2.01 . 1 35 5 5 VAL HG1 H 0.90 . 2 36 5 5 VAL HG2 H 0.90 . 2 37 5 5 VAL CA C 62.2 . 1 38 5 5 VAL CB C 32.7 . 1 39 5 5 VAL CG1 C 20.8 . 1 40 5 5 VAL CG2 C 20.8 . 1 41 5 5 VAL N N 121.3 . 1 42 6 6 ARG H H 8.38 . 1 43 6 6 ARG HA H 4.35 . 1 44 6 6 ARG HB2 H 1.71 . 2 45 6 6 ARG HB3 H 1.77 . 2 46 6 6 ARG HD2 H 3.16 . 2 47 6 6 ARG HD3 H 3.16 . 2 48 6 6 ARG HG2 H 1.56 . 2 49 6 6 ARG HG3 H 1.60 . 2 50 6 6 ARG CA C 55.7 . 1 51 6 6 ARG CB C 31.1 . 1 52 6 6 ARG CD C 43.2 . 1 53 6 6 ARG CG C 27.1 . 1 54 6 6 ARG N N 125.2 . 1 55 7 7 LEU H H 8.27 . 1 56 7 7 LEU HA H 4.37 . 1 57 7 7 LEU HB2 H 1.57 . 2 58 7 7 LEU HB3 H 1.57 . 2 59 7 7 LEU HD1 H 0.86 . 2 60 7 7 LEU HD2 H 0.81 . 2 61 7 7 LEU HG H 1.57 . 1 62 7 7 LEU CA C 54.9 . 1 63 7 7 LEU CB C 42.5 . 1 64 7 7 LEU CD1 C 24.8 . 1 65 7 7 LEU CD2 C 23.7 . 1 66 7 7 LEU CG C 27.1 . 1 67 7 7 LEU N N 124.3 . 1 68 8 8 ILE H H 8.22 . 1 69 8 8 ILE HA H 4.16 . 1 70 8 8 ILE HB H 1.80 . 1 71 8 8 ILE HD1 H 0.79 . 1 72 8 8 ILE HG12 H 1.12 . 2 73 8 8 ILE HG13 H 1.43 . 2 74 8 8 ILE HG2 H 0.84 . 1 75 8 8 ILE CA C 60.8 . 1 76 8 8 ILE CB C 38.5 . 1 77 8 8 ILE CD1 C 12.8 . 1 78 8 8 ILE CG1 C 27.1 . 1 79 8 8 ILE CG2 C 17.4 . 1 80 8 8 ILE N N 122.8 . 1 81 9 9 ARG H H 8.44 . 1 82 9 9 ARG HA H 4.44 . 1 83 9 9 ARG HB2 H 1.81 . 2 84 9 9 ARG HB3 H 1.74 . 2 85 9 9 ARG HD2 H 3.16 . 2 86 9 9 ARG HD3 H 3.16 . 2 87 9 9 ARG HG2 H 1.57 . 2 88 9 9 ARG HG3 H 1.58 . 2 89 9 9 ARG CA C 55.7 . 1 90 9 9 ARG CB C 30.8 . 1 91 9 9 ARG CD C 43.3 . 1 92 9 9 ARG CG C 27.3 . 1 93 9 9 ARG N N 125.4 . 1 94 10 10 THR H H 8.19 . 1 95 10 10 THR HA H 4.37 . 1 96 10 10 THR HB H 4.20 . 1 97 10 10 THR HG2 H 1.17 . 1 98 10 10 THR CA C 61.6 . 1 99 10 10 THR CB C 69.7 . 1 100 10 10 THR CG2 C 21.8 . 1 101 10 10 THR N N 116.0 . 1 102 11 11 ARG H H 8.45 . 1 103 11 11 ARG HA H 4.36 . 1 104 11 11 ARG HB2 H 1.79 . 2 105 11 11 ARG HB3 H 1.88 . 2 106 11 11 ARG HD2 H 3.17 . 2 107 11 11 ARG HD3 H 3.16 . 2 108 11 11 ARG HG2 H 1.62 . 2 109 11 11 ARG HG3 H 1.63 . 2 110 11 11 ARG CA C 56.1 . 1 111 11 11 ARG CB C 30.7 . 1 112 11 11 ARG CD C 43.4 . 1 113 11 11 ARG CG C 27.1 . 1 114 11 11 ARG N N 123.5 . 1 115 12 12 GLY H H 8.47 . 1 116 12 12 GLY HA2 H 3.95 . 2 117 12 12 GLY HA3 H 3.95 . 2 118 12 12 GLY CA C 45.0 . 1 119 12 12 GLY N N 110.4 . 1 120 13 13 GLY H H 8.28 . 1 121 13 13 GLY HA2 H 3.96 . 2 122 13 13 GLY HA3 H 3.96 . 2 123 13 13 GLY CA C 45.1 . 1 124 13 13 GLY N N 108.8 . 1 125 14 14 ASN H H 8.38 . 1 126 14 14 ASN HA H 4.79 . 1 127 14 14 ASN HB2 H 2.75 . 2 128 14 14 ASN HB3 H 2.83 . 2 129 14 14 ASN HD21 H 7.59 . 2 130 14 14 ASN HD22 H 6.91 . 2 131 14 14 ASN CA C 53.0 . 1 132 14 14 ASN CB C 38.7 . 1 133 14 14 ASN N N 118.7 . 1 134 14 14 ASN ND2 N 112.9 . 1 135 15 15 THR H H 8.15 . 1 136 15 15 THR HA H 4.31 . 1 137 15 15 THR HB H 4.19 . 1 138 15 15 THR HG2 H 1.16 . 1 139 15 15 THR CA C 62.1 . 1 140 15 15 THR CB C 69.7 . 1 141 15 15 THR CG2 C 21.5 . 1 142 15 15 THR N N 114.7 . 1 143 16 16 LYS H H 8.32 . 1 144 16 16 LYS HA H 4.38 . 1 145 16 16 LYS HB2 H 1.73 . 2 146 16 16 LYS HB3 H 1.76 . 2 147 16 16 LYS HD2 H 1.64 . 2 148 16 16 LYS HD3 H 1.64 . 2 149 16 16 LYS HE2 H 2.96 . 2 150 16 16 LYS HE3 H 2.95 . 2 151 16 16 LYS HG2 H 1.35 . 2 152 16 16 LYS HG3 H 1.41 . 2 153 16 16 LYS CA C 56.1 . 1 154 16 16 LYS CB C 32.9 . 1 155 16 16 LYS CD C 28.9 . 1 156 16 16 LYS CE C 42.0 . 1 157 16 16 LYS CG C 24.7 . 1 158 16 16 LYS N N 123.7 . 1 159 17 17 VAL H H 8.16 . 1 160 17 17 VAL HA H 4.08 . 1 161 17 17 VAL HB H 1.97 . 1 162 17 17 VAL HG1 H 0.85 . 2 163 17 17 VAL HG2 H 0.87 . 2 164 17 17 VAL CA C 61.9 . 1 165 17 17 VAL CB C 32.8 . 1 166 17 17 VAL CG1 C 21.0 . 1 167 17 17 VAL CG2 C 20.9 . 1 168 17 17 VAL N N 121.7 . 1 169 18 18 ARG H H 8.39 . 1 170 18 18 ARG HA H 4.41 . 1 171 18 18 ARG HB2 H 1.72 . 2 172 18 18 ARG HB3 H 1.79 . 2 173 18 18 ARG HD2 H 3.16 . 2 174 18 18 ARG HD3 H 3.16 . 2 175 18 18 ARG HG2 H 1.57 . 2 176 18 18 ARG HG3 H 1.61 . 2 177 18 18 ARG CA C 55.5 . 1 178 18 18 ARG CB C 31.1 . 1 179 18 18 ARG CD C 43.2 . 1 180 18 18 ARG CG C 27.3 . 1 181 18 18 ARG N N 125.5 . 1 182 19 19 LEU H H 8.38 . 1 183 19 19 LEU HA H 4.32 . 1 184 19 19 LEU HB2 H 1.56 . 2 185 19 19 LEU HB3 H 1.56 . 2 186 19 19 LEU HD1 H 0.86 . 2 187 19 19 LEU HD2 H 0.80 . 2 188 19 19 LEU HG H 1.55 . 1 189 19 19 LEU CA C 54.9 . 1 190 19 19 LEU CB C 42.4 . 1 191 19 19 LEU CD1 C 24.9 . 1 192 19 19 LEU CD2 C 23.5 . 1 193 19 19 LEU CG C 27.1 . 1 194 19 19 LEU N N 124.2 . 1 195 20 20 ALA H H 8.42 . 1 196 20 20 ALA HA H 4.32 . 1 197 20 20 ALA HB H 1.38 . 1 198 20 20 ALA CA C 52.3 . 1 199 20 20 ALA CB C 19.2 . 1 200 20 20 ALA N N 125.4 . 1 201 21 21 SER H H 8.21 . 1 202 21 21 SER HA H 4.34 . 1 203 21 21 SER HB2 H 3.80 . 2 204 21 21 SER HB3 H 3.89 . 2 205 21 21 SER CA C 58.7 . 1 206 21 21 SER CB C 63.5 . 1 207 21 21 SER N N 114.0 . 1 208 22 22 ASP H H 8.24 . 1 209 22 22 ASP HA H 4.66 . 1 210 22 22 ASP HB2 H 2.70 . 2 211 22 22 ASP HB3 H 2.70 . 2 212 22 22 ASP CA C 54.1 . 1 213 22 22 ASP CB C 41.0 . 1 214 22 22 ASP N N 121.1 . 1 215 23 23 THR H H 8.12 . 1 216 23 23 THR HA H 4.30 . 1 217 23 23 THR HB H 4.30 . 1 218 23 23 THR HG2 H 1.15 . 1 219 23 23 THR CA C 62.0 . 1 220 23 23 THR CB C 69.2 . 1 221 23 23 THR CG2 C 22.1 . 1 222 23 23 THR N N 113.3 . 1 223 24 24 ARG H H 8.03 . 1 224 24 24 ARG HA H 5.01 . 1 225 24 24 ARG HB2 H 1.71 . 2 226 24 24 ARG HB3 H 1.72 . 2 227 24 24 ARG HD2 H 3.04 . 2 228 24 24 ARG HD3 H 3.15 . 2 229 24 24 ARG HG2 H 1.54 . 2 230 24 24 ARG HG3 H 1.54 . 2 231 24 24 ARG CA C 55.0 . 1 232 24 24 ARG CB C 32.7 . 1 233 24 24 ARG CD C 43.4 . 1 234 24 24 ARG CG C 27.3 . 1 235 24 24 ARG N N 124.2 . 1 236 25 25 ILE H H 8.65 . 1 237 25 25 ILE HA H 4.66 . 1 238 25 25 ILE HB H 1.37 . 1 239 25 25 ILE HD1 H 0.50 . 1 240 25 25 ILE HG12 H 0.59 . 2 241 25 25 ILE HG13 H 1.29 . 2 242 25 25 ILE HG2 H 0.63 . 1 243 25 25 ILE CA C 58.1 . 1 244 25 25 ILE CB C 42.0 . 1 245 25 25 ILE CD1 C 16.0 . 1 246 25 25 ILE CG1 C 27.8 . 1 247 25 25 ILE CG2 C 15.7 . 1 248 25 25 ILE N N 118.3 . 1 249 26 26 ASN H H 8.82 . 1 250 26 26 ASN HA H 4.79 . 1 251 26 26 ASN HB2 H 2.34 . 2 252 26 26 ASN HB3 H 3.14 . 2 253 26 26 ASN HD21 H 6.56 . 2 254 26 26 ASN HD22 H 7.15 . 2 255 26 26 ASN CA C 52.5 . 1 256 26 26 ASN CB C 38.4 . 1 257 26 26 ASN N N 126.4 . 1 258 26 26 ASN ND2 N 112.1 . 1 259 27 27 VAL H H 9.22 . 1 260 27 27 VAL HA H 4.15 . 1 261 27 27 VAL HB H 2.05 . 1 262 27 27 VAL HG1 H 0.68 . 2 263 27 27 VAL HG2 H 0.79 . 2 264 27 27 VAL CA C 61.9 . 1 265 27 27 VAL CB C 32.7 . 1 266 27 27 VAL CG1 C 22.9 . 1 267 27 27 VAL CG2 C 24.3 . 1 268 27 27 VAL N N 126.6 . 1 269 28 28 VAL H H 8.68 . 1 270 28 28 VAL HA H 4.56 . 1 271 28 28 VAL HB H 1.94 . 1 272 28 28 VAL HG1 H 0.76 . 2 273 28 28 VAL HG2 H 0.86 . 2 274 28 28 VAL CA C 60.6 . 1 275 28 28 VAL CB C 33.8 . 1 276 28 28 VAL CG1 C 20.4 . 1 277 28 28 VAL CG2 C 21.6 . 1 278 28 28 VAL N N 128.7 . 1 279 29 29 ASP H H 8.40 . 1 280 29 29 ASP HA H 5.01 . 1 281 29 29 ASP HB2 H 3.15 . 2 282 29 29 ASP HB3 H 2.61 . 2 283 29 29 ASP CA C 50.5 . 1 284 29 29 ASP CB C 42.1 . 1 285 29 29 ASP N N 128.4 . 1 286 30 30 PRO HA H 4.33 . 1 287 30 30 PRO HB2 H 2.04 . 2 288 30 30 PRO HB3 H 2.27 . 2 289 30 30 PRO HD2 H 4.00 . 2 290 30 30 PRO HD3 H 4.28 . 2 291 30 30 PRO HG2 H 2.08 . 2 292 30 30 PRO HG3 H 2.07 . 2 293 30 30 PRO CA C 64.1 . 1 294 30 30 PRO CB C 32.0 . 1 295 30 30 PRO CD C 51.5 . 1 296 30 30 PRO CG C 27.0 . 1 297 31 31 GLU H H 8.30 . 1 298 31 31 GLU HA H 4.21 . 1 299 31 31 GLU HB2 H 2.09 . 2 300 31 31 GLU HB3 H 2.09 . 2 301 31 31 GLU HG2 H 2.20 . 2 302 31 31 GLU HG3 H 2.29 . 2 303 31 31 GLU CA C 58.1 . 1 304 31 31 GLU CB C 30.2 . 1 305 31 31 GLU CG C 36.6 . 1 306 31 31 GLU N N 116.8 . 1 307 32 32 THR H H 7.36 . 1 308 32 32 THR HA H 4.46 . 1 309 32 32 THR HB H 4.31 . 1 310 32 32 THR HG2 H 1.17 . 1 311 32 32 THR CA C 61.1 . 1 312 32 32 THR CB C 71.2 . 1 313 32 32 THR CG2 C 21.0 . 1 314 32 32 THR N N 105.0 . 1 315 33 33 GLY H H 8.75 . 1 316 33 33 GLY HA2 H 4.14 . 2 317 33 33 GLY HA3 H 3.56 . 2 318 33 33 GLY CA C 45.4 . 1 319 33 33 GLY N N 111.9 . 1 320 34 34 LYS H H 7.82 . 1 321 34 34 LYS HA H 4.18 . 1 322 34 34 LYS HB2 H 1.72 . 2 323 34 34 LYS HB3 H 1.76 . 2 324 34 34 LYS HD2 H 1.67 . 2 325 34 34 LYS HD3 H 1.67 . 2 326 34 34 LYS HE2 H 2.96 . 2 327 34 34 LYS HE3 H 2.96 . 2 328 34 34 LYS HG2 H 1.33 . 2 329 34 34 LYS HG3 H 1.40 . 2 330 34 34 LYS CA C 56.6 . 1 331 34 34 LYS CB C 33.3 . 1 332 34 34 LYS CD C 29.0 . 1 333 34 34 LYS CE C 42.0 . 1 334 34 34 LYS CG C 25.1 . 1 335 34 34 LYS N N 121.0 . 1 336 35 35 VAL H H 8.38 . 1 337 35 35 VAL HA H 4.86 . 1 338 35 35 VAL HB H 1.84 . 1 339 35 35 VAL HG1 H 0.71 . 2 340 35 35 VAL HG2 H 0.88 . 2 341 35 35 VAL CA C 60.6 . 1 342 35 35 VAL CB C 33.4 . 1 343 35 35 VAL CG1 C 21.2 . 1 344 35 35 VAL CG2 C 21.4 . 1 345 35 35 VAL N N 123.9 . 1 346 36 36 GLU H H 8.81 . 1 347 36 36 GLU HA H 4.64 . 1 348 36 36 GLU HB2 H 1.74 . 2 349 36 36 GLU HB3 H 1.87 . 2 350 36 36 GLU HG2 H 2.16 . 2 351 36 36 GLU HG3 H 2.16 . 2 352 36 36 GLU CA C 54.3 . 1 353 36 36 GLU CB C 33.6 . 1 354 36 36 GLU CG C 36.0 . 1 355 36 36 GLU N N 127.5 . 1 356 37 37 ILE H H 8.57 . 1 357 37 37 ILE HA H 4.58 . 1 358 37 37 ILE HB H 1.73 . 1 359 37 37 ILE HD1 H 0.81 . 1 360 37 37 ILE HG12 H 1.17 . 2 361 37 37 ILE HG13 H 1.53 . 2 362 37 37 ILE HG2 H 0.83 . 1 363 37 37 ILE CA C 61.2 . 1 364 37 37 ILE CB C 37.8 . 1 365 37 37 ILE CD1 C 13.0 . 1 366 37 37 ILE CG1 C 27.7 . 1 367 37 37 ILE CG2 C 17.8 . 1 368 37 37 ILE N N 123.8 . 1 369 38 38 ALA H H 9.25 . 1 370 38 38 ALA HA H 4.90 . 1 371 38 38 ALA HB H 1.36 . 1 372 38 38 ALA CA C 49.9 . 1 373 38 38 ALA CB C 22.8 . 1 374 38 38 ALA N N 131.9 . 1 375 39 39 GLU H H 8.52 . 1 376 39 39 GLU HA H 4.74 . 1 377 39 39 GLU HB2 H 1.78 . 2 378 39 39 GLU HB3 H 1.91 . 2 379 39 39 GLU HG2 H 2.08 . 2 380 39 39 GLU HG3 H 2.18 . 2 381 39 39 GLU CA C 54.4 . 1 382 39 39 GLU CB C 31.8 . 1 383 39 39 GLU CG C 36.0 . 1 384 39 39 GLU N N 118.9 . 1 385 40 40 ILE H H 8.63 . 1 386 40 40 ILE HA H 3.80 . 1 387 40 40 ILE HB H 1.59 . 1 388 40 40 ILE HD1 H 0.65 . 1 389 40 40 ILE HG12 H 0.53 . 2 390 40 40 ILE HG13 H 1.51 . 2 391 40 40 ILE HG2 H 0.72 . 1 392 40 40 ILE CA C 62.6 . 1 393 40 40 ILE CB C 38.4 . 1 394 40 40 ILE CD1 C 13.9 . 1 395 40 40 ILE CG1 C 28.6 . 1 396 40 40 ILE CG2 C 17.2 . 1 397 40 40 ILE N N 123.1 . 1 398 41 41 ARG H H 8.90 . 1 399 41 41 ARG HA H 4.38 . 1 400 41 41 ARG HB2 H 1.44 . 2 401 41 41 ARG HB3 H 1.75 . 2 402 41 41 ARG HD2 H 3.00 . 2 403 41 41 ARG HD3 H 3.00 . 2 404 41 41 ARG HG2 H 1.51 . 2 405 41 41 ARG HG3 H 1.51 . 2 406 41 41 ARG CA C 56.5 . 1 407 41 41 ARG CB C 31.4 . 1 408 41 41 ARG CD C 43.2 . 1 409 41 41 ARG CG C 27.3 . 1 410 41 41 ARG N N 127.0 . 1 411 42 42 ASN H H 7.75 . 1 412 42 42 ASN HA H 4.79 . 1 413 42 42 ASN HB2 H 2.68 . 2 414 42 42 ASN HB3 H 2.69 . 2 415 42 42 ASN HD21 H 6.86 . 2 416 42 42 ASN HD22 H 7.54 . 2 417 42 42 ASN CA C 52.7 . 1 418 42 42 ASN CB C 40.9 . 1 419 42 42 ASN N N 114.6 . 1 420 42 42 ASN ND2 N 113.6 . 1 421 43 43 VAL H H 8.57 . 1 422 43 43 VAL HA H 4.20 . 1 423 43 43 VAL HB H 2.06 . 1 424 43 43 VAL HG1 H 0.83 . 2 425 43 43 VAL HG2 H 0.91 . 2 426 43 43 VAL CA C 62.6 . 1 427 43 43 VAL CB C 32.5 . 1 428 43 43 VAL CG1 C 21.0 . 1 429 43 43 VAL CG2 C 21.4 . 1 430 43 43 VAL N N 121.9 . 1 431 44 44 VAL H H 8.63 . 1 432 44 44 VAL HA H 4.05 . 1 433 44 44 VAL HB H 1.90 . 1 434 44 44 VAL HG1 H 0.86 . 2 435 44 44 VAL HG2 H 0.85 . 2 436 44 44 VAL CA C 62.9 . 1 437 44 44 VAL CB C 32.5 . 1 438 44 44 VAL CG1 C 21.0 . 1 439 44 44 VAL CG2 C 21.0 . 1 440 44 44 VAL N N 125.8 . 1 441 45 45 GLU H H 8.33 . 1 442 45 45 GLU HA H 4.37 . 1 443 45 45 GLU HB2 H 1.89 . 2 444 45 45 GLU HB3 H 1.98 . 2 445 45 45 GLU HG2 H 2.19 . 2 446 45 45 GLU HG3 H 2.19 . 2 447 45 45 GLU CA C 55.8 . 1 448 45 45 GLU CB C 31.4 . 1 449 45 45 GLU CG C 36.0 . 1 450 45 45 GLU N N 123.3 . 1 451 46 46 ASN H H 8.62 . 1 452 46 46 ASN HA H 4.74 . 1 453 46 46 ASN HB2 H 2.66 . 2 454 46 46 ASN HB3 H 2.91 . 2 455 46 46 ASN HD21 H 7.03 . 2 456 46 46 ASN HD22 H 7.56 . 2 457 46 46 ASN CA C 52.9 . 1 458 46 46 ASN CB C 38.4 . 1 459 46 46 ASN N N 121.0 . 1 460 46 46 ASN ND2 N 112.0 . 1 461 47 47 THR H H 8.28 . 1 462 47 47 THR HA H 4.09 . 1 463 47 47 THR HB H 4.22 . 1 464 47 47 THR HG2 H 1.14 . 1 465 47 47 THR CA C 62.5 . 1 466 47 47 THR CB C 69.0 . 1 467 47 47 THR CG2 C 21.5 . 1 468 47 47 THR N N 114.7 . 1 469 48 48 ALA H H 8.13 . 1 470 48 48 ALA HA H 4.24 . 1 471 48 48 ALA HB H 1.36 . 1 472 48 48 ALA CA C 52.7 . 1 473 48 48 ALA CB C 19.0 . 1 474 48 48 ALA N N 124.0 . 1 475 49 49 ASN HA H 4.87 . 1 476 49 49 ASN HB2 H 2.50 . 2 477 49 49 ASN HD21 H 6.99 . 2 478 49 49 ASN HD22 H 7.53 . 2 479 49 49 ASN CA C 50.7 . 1 480 49 49 ASN CB C 39.3 . 1 481 49 49 ASN ND2 N 113.5 . 1 482 50 50 PRO HA H 4.37 . 1 483 50 50 PRO HB2 H 1.71 . 2 484 50 50 PRO HB3 H 2.21 . 2 485 50 50 PRO HD2 H 3.66 . 2 486 50 50 PRO HD3 H 3.66 . 2 487 50 50 PRO HG2 H 1.74 . 2 488 50 50 PRO HG3 H 1.94 . 2 489 50 50 PRO CA C 64.1 . 1 490 50 50 PRO CB C 32.0 . 1 491 50 50 PRO CD C 50.5 . 1 492 50 50 PRO CG C 26.9 . 1 493 51 51 HIS H H 8.35 . 1 494 51 51 HIS HA H 4.56 . 1 495 51 51 HIS HB2 H 3.10 . 2 496 51 51 HIS HB3 H 3.02 . 2 497 51 51 HIS HD2 H 7.00 . 1 498 51 51 HIS CA C 56.1 . 1 499 51 51 HIS CB C 29.7 . 1 500 51 51 HIS N N 117.0 . 1 501 52 52 PHE H H 7.87 . 1 502 52 52 PHE HA H 4.52 . 1 503 52 52 PHE HB2 H 3.12 . 2 504 52 52 PHE HB3 H 3.20 . 2 505 52 52 PHE HD1 H 7.08 . 3 506 52 52 PHE HD2 H 7.08 . 3 507 52 52 PHE CA C 57.5 . 1 508 52 52 PHE CB C 38.7 . 1 509 52 52 PHE N N 120.0 . 1 510 53 53 VAL H H 7.89 . 1 511 53 53 VAL HA H 3.88 . 1 512 53 53 VAL HB H 2.01 . 1 513 53 53 VAL HG1 H 0.85 . 2 514 53 53 VAL HG2 H 0.85 . 2 515 53 53 VAL CA C 63.3 . 1 516 53 53 VAL CB C 32.7 . 1 517 53 53 VAL CG1 C 20.9 . 1 518 53 53 VAL CG2 C 21.0 . 1 519 53 53 VAL N N 121.8 . 1 520 54 54 ARG H H 8.20 . 1 521 54 54 ARG HA H 4.22 . 1 522 54 54 ARG HB2 H 1.79 . 2 523 54 54 ARG HB3 H 1.85 . 2 524 54 54 ARG HD2 H 3.21 . 2 525 54 54 ARG HD3 H 3.21 . 2 526 54 54 ARG HG2 H 1.64 . 2 527 54 54 ARG HG3 H 1.64 . 2 528 54 54 ARG CA C 56.5 . 1 529 54 54 ARG CB C 30.4 . 1 530 54 54 ARG CD C 43.3 . 1 531 54 54 ARG CG C 27.3 . 1 532 54 54 ARG N N 123.1 . 1 533 55 55 ARG H H 8.08 . 1 534 55 55 ARG HA H 4.28 . 1 535 55 55 ARG HB2 H 1.79 . 2 536 55 55 ARG HB3 H 1.88 . 2 537 55 55 ARG HD2 H 3.15 . 2 538 55 55 ARG HD3 H 3.16 . 2 539 55 55 ARG HG2 H 1.59 . 2 540 55 55 ARG HG3 H 1.66 . 2 541 55 55 ARG CA C 56.0 . 1 542 55 55 ARG CB C 30.9 . 1 543 55 55 ARG CD C 43.4 . 1 544 55 55 ARG CG C 27.3 . 1 545 56 56 ASN H H 8.41 . 1 546 56 56 ASN HA H 4.50 . 1 547 56 56 ASN HB2 H 2.75 . 2 548 56 56 ASN HB3 H 2.87 . 2 549 56 56 ASN HD21 H 6.86 . 2 550 56 56 ASN HD22 H 7.55 . 2 551 56 56 ASN CA C 53.3 . 1 552 56 56 ASN CB C 38.2 . 1 553 56 56 ASN N N 118.5 . 1 554 56 56 ASN ND2 N 112.4 . 1 555 57 57 ILE H H 7.78 . 1 556 57 57 ILE HA H 4.19 . 1 557 57 57 ILE HB H 1.65 . 1 558 57 57 ILE HD1 H 0.70 . 1 559 57 57 ILE HG12 H 0.99 . 2 560 57 57 ILE HG13 H 1.33 . 2 561 57 57 ILE HG2 H 0.67 . 1 562 57 57 ILE CA C 60.6 . 1 563 57 57 ILE CB C 38.7 . 1 564 57 57 ILE CD1 C 12.8 . 1 565 57 57 ILE CG1 C 27.2 . 1 566 57 57 ILE CG2 C 17.4 . 1 567 57 57 ILE N N 118.7 . 1 568 58 58 ILE H H 8.41 . 1 569 58 58 ILE HA H 3.86 . 1 570 58 58 ILE HB H 1.75 . 1 571 58 58 ILE HD1 H 0.73 . 1 572 58 58 ILE HG12 H 1.52 . 2 573 58 58 ILE HG13 H 0.90 . 2 574 58 58 ILE HG2 H 0.77 . 1 575 58 58 ILE CA C 61.5 . 1 576 58 58 ILE CB C 37.5 . 1 577 58 58 ILE CD1 C 13.1 . 1 578 58 58 ILE CG1 C 27.3 . 1 579 58 58 ILE CG2 C 18.9 . 1 580 58 58 ILE N N 125.1 . 1 581 59 59 THR H H 7.02 . 1 582 59 59 THR HA H 4.49 . 1 583 59 59 THR HB H 4.27 . 1 584 59 59 THR HG2 H 1.11 . 1 585 59 59 THR CA C 59.2 . 1 586 59 59 THR CB C 71.3 . 1 587 59 59 THR CG2 C 21.3 . 1 588 59 59 THR N N 116.8 . 1 589 60 60 ARG H H 8.49 . 1 590 60 60 ARG HA H 3.75 . 1 591 60 60 ARG HB2 H 1.75 . 2 592 60 60 ARG HB3 H 1.74 . 2 593 60 60 ARG HD2 H 3.10 . 2 594 60 60 ARG HD3 H 3.10 . 2 595 60 60 ARG HG2 H 1.47 . 2 596 60 60 ARG HG3 H 1.48 . 2 597 60 60 ARG CA C 58.9 . 1 598 60 60 ARG CB C 29.9 . 1 599 60 60 ARG CD C 43.4 . 1 600 60 60 ARG CG C 27.2 . 1 601 60 60 ARG N N 122.3 . 1 602 61 61 GLY H H 8.87 . 1 603 61 61 GLY HA2 H 3.52 . 2 604 61 61 GLY HA3 H 4.46 . 2 605 61 61 GLY CA C 44.9 . 1 606 61 61 GLY N N 115.8 . 1 607 62 62 ALA H H 8.02 . 1 608 62 62 ALA HA H 4.38 . 1 609 62 62 ALA HB H 1.53 . 1 610 62 62 ALA CA C 52.2 . 1 611 62 62 ALA CB C 19.4 . 1 612 62 62 ALA N N 123.3 . 1 613 63 63 VAL H H 8.59 . 1 614 63 63 VAL HA H 4.99 . 1 615 63 63 VAL HB H 1.85 . 1 616 63 63 VAL HG1 H 0.74 . 2 617 63 63 VAL HG2 H 0.90 . 2 618 63 63 VAL CA C 61.3 . 1 619 63 63 VAL CB C 32.8 . 1 620 63 63 VAL CG1 C 21.1 . 1 621 63 63 VAL CG2 C 21.4 . 1 622 63 63 VAL N N 120.3 . 1 623 64 64 VAL H H 9.38 . 1 624 64 64 VAL HA H 4.92 . 1 625 64 64 VAL HB H 2.09 . 1 626 64 64 VAL HG1 H 0.79 . 2 627 64 64 VAL HG2 H 0.68 . 2 628 64 64 VAL CA C 58.0 . 1 629 64 64 VAL CB C 34.0 . 1 630 64 64 VAL CG1 C 22.1 . 1 631 64 64 VAL CG2 C 18.8 . 1 632 64 64 VAL N N 119.9 . 1 633 65 65 GLU H H 8.78 . 1 634 65 65 GLU HA H 4.58 . 1 635 65 65 GLU HB2 H 1.91 . 2 636 65 65 GLU HB3 H 1.93 . 2 637 65 65 GLU HG2 H 2.08 . 2 638 65 65 GLU HG3 H 2.29 . 2 639 65 65 GLU CA C 56.2 . 1 640 65 65 GLU CB C 30.7 . 1 641 65 65 GLU CG C 36.3 . 1 642 65 65 GLU N N 123.8 . 1 643 66 66 THR H H 7.90 . 1 644 66 66 THR HA H 5.65 . 1 645 66 66 THR HB H 4.32 . 1 646 66 66 THR HG1 H 4.96 . 1 647 66 66 THR HG2 H 0.97 . 1 648 66 66 THR CA C 59.6 . 1 649 66 66 THR CB C 73.9 . 1 650 66 66 THR CG2 C 21.9 . 1 651 66 66 THR N N 115.6 . 1 652 67 67 ASN H H 9.22 . 1 653 67 67 ASN HA H 4.45 . 1 654 67 67 ASN HB2 H 2.75 . 2 655 67 67 ASN HB3 H 2.97 . 2 656 67 67 ASN HD21 H 7.61 . 2 657 67 67 ASN HD22 H 7.75 . 2 658 67 67 ASN CA C 56.0 . 1 659 67 67 ASN CB C 36.7 . 1 660 67 67 ASN N N 117.2 . 1 661 67 67 ASN ND2 N 115.9 . 1 662 68 68 LEU H H 8.03 . 1 663 68 68 LEU HA H 4.43 . 1 664 68 68 LEU HB2 H 1.28 . 2 665 68 68 LEU HB3 H 1.53 . 2 666 68 68 LEU HD1 H 0.69 . 2 667 68 68 LEU HD2 H 0.76 . 2 668 68 68 LEU HG H 1.53 . 1 669 68 68 LEU CA C 54.4 . 1 670 68 68 LEU CB C 42.9 . 1 671 68 68 LEU CD1 C 25.4 . 1 672 68 68 LEU CD2 C 22.0 . 1 673 68 68 LEU CG C 26.6 . 1 674 68 68 LEU N N 117.6 . 1 675 69 69 GLY H H 7.16 . 1 676 69 69 GLY HA2 H 3.81 . 2 677 69 69 GLY HA3 H 4.56 . 2 678 69 69 GLY CA C 43.2 . 1 679 69 69 GLY N N 105.5 . 1 680 70 70 ASN H H 9.07 . 1 681 70 70 ASN HA H 5.31 . 1 682 70 70 ASN HB2 H 2.27 . 2 683 70 70 ASN HB3 H 2.75 . 2 684 70 70 ASN HD21 H 7.44 . 2 685 70 70 ASN HD22 H 6.82 . 2 686 70 70 ASN CA C 53.2 . 1 687 70 70 ASN CB C 38.0 . 1 688 70 70 ASN N N 122.7 . 1 689 70 70 ASN ND2 N 110.0 . 1 690 71 71 VAL H H 9.14 . 1 691 71 71 VAL HA H 4.62 . 1 692 71 71 VAL HB H 1.70 . 1 693 71 71 VAL HG1 H 0.61 . 2 694 71 71 VAL HG2 H 0.71 . 2 695 71 71 VAL CA C 60.0 . 1 696 71 71 VAL CB C 36.0 . 1 697 71 71 VAL CG1 C 22.1 . 1 698 71 71 VAL CG2 C 23.6 . 1 699 71 71 VAL N N 122.4 . 1 700 72 72 ARG H H 8.96 . 1 701 72 72 ARG HA H 5.08 . 1 702 72 72 ARG HB2 H 1.58 . 2 703 72 72 ARG HB3 H 1.79 . 2 704 72 72 ARG HD2 H 3.14 . 2 705 72 72 ARG HD3 H 3.18 . 2 706 72 72 ARG HG2 H 1.39 . 2 707 72 72 ARG HG3 H 1.39 . 2 708 72 72 ARG CA C 53.8 . 1 709 72 72 ARG CB C 31.2 . 1 710 72 72 ARG CD C 42.7 . 1 711 72 72 ARG CG C 27.2 . 1 712 72 72 ARG N N 127.1 . 1 713 73 73 VAL H H 9.27 . 1 714 73 73 VAL HA H 4.11 . 1 715 73 73 VAL HB H 2.30 . 1 716 73 73 VAL HG1 H 1.02 . 2 717 73 73 VAL HG2 H 0.85 . 2 718 73 73 VAL CA C 64.2 . 1 719 73 73 VAL CB C 31.8 . 1 720 73 73 VAL CG1 C 21.6 . 1 721 73 73 VAL CG2 C 22.4 . 1 722 73 73 VAL N N 129.1 . 1 723 74 74 THR H H 9.52 . 1 724 74 74 THR HA H 4.54 . 1 725 74 74 THR HB H 4.38 . 1 726 74 74 THR HG2 H 1.20 . 1 727 74 74 THR CA C 61.8 . 1 728 74 74 THR CB C 69.4 . 1 729 74 74 THR CG2 C 22.0 . 1 730 74 74 THR N N 120.9 . 1 731 75 75 SER H H 7.49 . 1 732 75 75 SER HA H 4.70 . 1 733 75 75 SER HB2 H 4.09 . 2 734 75 75 SER HB3 H 3.88 . 2 735 75 75 SER CA C 57.4 . 1 736 75 75 SER CB C 65.2 . 1 737 75 75 SER N N 116.7 . 1 738 76 76 ARG H H 8.53 . 1 739 76 76 ARG HA H 4.82 . 1 740 76 76 ARG HB2 H 1.76 . 2 741 76 76 ARG HB3 H 1.86 . 2 742 76 76 ARG HD2 H 3.19 . 2 743 76 76 ARG HD3 H 3.19 . 2 744 76 76 ARG HG2 H 1.66 . 2 745 76 76 ARG HG3 H 1.67 . 2 746 76 76 ARG CA C 53.8 . 1 747 76 76 ARG CB C 30.1 . 1 748 76 76 ARG CD C 43.4 . 1 749 76 76 ARG CG C 27.0 . 1 750 76 76 ARG N N 118.8 . 1 751 77 77 PRO HA H 4.26 . 1 752 77 77 PRO HB2 H 2.12 . 2 753 77 77 PRO HB3 H 1.90 . 2 754 77 77 PRO HD2 H 3.72 . 2 755 77 77 PRO HD3 H 3.98 . 2 756 77 77 PRO HG2 H 1.77 . 2 757 77 77 PRO HG3 H 1.99 . 2 758 77 77 PRO CA C 64.2 . 1 759 77 77 PRO CB C 31.8 . 1 760 77 77 PRO CD C 50.5 . 1 761 77 77 PRO CG C 27.7 . 1 762 78 78 GLY H H 8.66 . 1 763 78 78 GLY HA2 H 3.96 . 2 764 78 78 GLY HA3 H 4.03 . 2 765 78 78 GLY CA C 45.1 . 1 766 78 78 GLY N N 109.2 . 1 767 79 79 GLN H H 8.23 . 1 768 79 79 GLN HA H 4.24 . 1 769 79 79 GLN HB2 H 2.00 . 2 770 79 79 GLN HB3 H 2.06 . 2 771 79 79 GLN HE21 H 6.84 . 2 772 79 79 GLN HE22 H 7.58 . 2 773 79 79 GLN HG2 H 2.36 . 2 774 79 79 GLN HG3 H 2.36 . 2 775 79 79 GLN CA C 57.1 . 1 776 79 79 GLN CB C 29.4 . 1 777 79 79 GLN CG C 33.7 . 1 778 79 79 GLN N N 120.3 . 1 779 79 79 GLN NE2 N 112.5 . 1 780 80 80 ASP H H 8.48 . 1 781 80 80 ASP HA H 4.57 . 1 782 80 80 ASP HB2 H 2.72 . 2 783 80 80 ASP HB3 H 2.72 . 2 784 80 80 ASP CA C 54.3 . 1 785 80 80 ASP CB C 41.1 . 1 786 80 80 ASP N N 117.8 . 1 787 81 81 GLY H H 8.07 . 1 788 81 81 GLY HA2 H 3.75 . 2 789 81 81 GLY HA3 H 4.04 . 2 790 81 81 GLY CA C 45.4 . 1 791 81 81 GLY N N 107.8 . 1 792 82 82 VAL H H 7.54 . 1 793 82 82 VAL HA H 4.12 . 1 794 82 82 VAL HB H 1.92 . 1 795 82 82 VAL HG1 H 0.81 . 2 796 82 82 VAL HG2 H 0.80 . 2 797 82 82 VAL CA C 61.7 . 1 798 82 82 VAL CB C 33.3 . 1 799 82 82 VAL CG1 C 21.0 . 1 800 82 82 VAL CG2 C 21.0 . 1 801 82 82 VAL N N 118.9 . 1 802 83 83 ILE H H 8.48 . 1 803 83 83 ILE HA H 4.02 . 1 804 83 83 ILE HB H 1.89 . 1 805 83 83 ILE HD1 H 0.78 . 1 806 83 83 ILE HG12 H 0.86 . 2 807 83 83 ILE HG13 H 1.59 . 2 808 83 83 ILE HG2 H 0.81 . 1 809 83 83 ILE CA C 61.2 . 1 810 83 83 ILE CB C 38.7 . 1 811 83 83 ILE CD1 C 13.7 . 1 812 83 83 ILE CG1 C 27.2 . 1 813 83 83 ILE CG2 C 18.7 . 1 814 83 83 ILE N N 125.9 . 1 815 84 84 ASN H H 8.29 . 1 816 84 84 ASN HA H 5.74 . 1 817 84 84 ASN HB2 H 2.73 . 2 818 84 84 ASN HB3 H 2.56 . 2 819 84 84 ASN HD21 H 6.71 . 2 820 84 84 ASN HD22 H 7.17 . 2 821 84 84 ASN CA C 51.4 . 1 822 84 84 ASN CB C 42.1 . 1 823 84 84 ASN N N 123.3 . 1 824 84 84 ASN ND2 N 112.1 . 1 825 85 85 GLY H H 8.78 . 1 826 85 85 GLY HA2 H 3.65 . 2 827 85 85 GLY HA3 H 5.06 . 2 828 85 85 GLY CA C 46.3 . 1 829 85 85 GLY N N 106.6 . 1 830 86 86 VAL H H 8.78 . 1 831 86 86 VAL HA H 4.96 . 1 832 86 86 VAL HB H 1.94 . 1 833 86 86 VAL HG1 H 0.99 . 2 834 86 86 VAL HG2 H 0.99 . 2 835 86 86 VAL CA C 59.1 . 1 836 86 86 VAL CB C 35.5 . 1 837 86 86 VAL CG1 C 20.5 . 1 838 86 86 VAL CG2 C 20.6 . 1 839 86 86 VAL N N 118.0 . 1 840 87 87 LEU H H 8.49 . 1 841 87 87 LEU HA H 4.17 . 1 842 87 87 LEU HB2 H 1.26 . 2 843 87 87 LEU HB3 H 1.69 . 2 844 87 87 LEU HD1 H 0.73 . 2 845 87 87 LEU HD2 H 0.75 . 2 846 87 87 LEU HG H 1.40 . 1 847 87 87 LEU CA C 56.0 . 1 848 87 87 LEU CB C 43.5 . 1 849 87 87 LEU CD1 C 23.7 . 1 850 87 87 LEU CD2 C 25.3 . 1 851 87 87 LEU CG C 27.0 . 1 852 87 87 LEU N N 128.1 . 1 853 88 88 ILE H H 8.41 . 1 854 88 88 ILE HA H 4.10 . 1 855 88 88 ILE HB H 1.69 . 1 856 88 88 ILE HD1 H 0.78 . 1 857 88 88 ILE HG12 H 0.97 . 2 858 88 88 ILE HG13 H 1.56 . 2 859 88 88 ILE HG2 H 0.86 . 1 860 88 88 ILE CA C 61.1 . 1 861 88 88 ILE CB C 38.4 . 1 862 88 88 ILE CD1 C 14.6 . 1 863 88 88 ILE CG1 C 27.3 . 1 864 88 88 ILE CG2 C 17.7 . 1 865 88 88 ILE N N 125.2 . 1 866 89 89 ARG H H 8.39 . 1 867 89 89 ARG HA H 4.41 . 1 868 89 89 ARG HB2 H 1.72 . 2 869 89 89 ARG HB3 H 1.80 . 2 870 89 89 ARG HD2 H 3.16 . 2 871 89 89 ARG HD3 H 3.15 . 2 872 89 89 ARG HG2 H 1.54 . 2 873 89 89 ARG HG3 H 1.60 . 2 874 89 89 ARG CA C 55.5 . 1 875 89 89 ARG CB C 31.2 . 1 876 89 89 ARG CD C 43.4 . 1 877 89 89 ARG CG C 27.3 . 1 878 89 89 ARG N N 126.3 . 1 879 90 90 GLU H H 8.50 . 1 880 90 90 GLU HA H 4.29 . 1 881 90 90 GLU HB2 H 1.89 . 2 882 90 90 GLU HB3 H 2.01 . 2 883 90 90 GLU HG2 H 2.23 . 2 884 90 90 GLU HG3 H 2.23 . 2 885 90 90 GLU CA C 56.2 . 1 886 90 90 GLU CB C 30.3 . 1 887 90 90 GLU CG C 36.0 . 1 888 90 90 GLU N N 122.4 . 1 889 91 91 LEU H H 8.31 . 1 890 91 91 LEU HA H 4.25 . 1 891 91 91 LEU HB2 H 1.48 . 2 892 91 91 LEU HB3 H 1.55 . 2 893 91 91 LEU HD1 H 0.85 . 2 894 91 91 LEU HD2 H 0.80 . 2 895 91 91 LEU HG H 1.57 . 1 896 91 91 LEU CA C 55.2 . 1 897 91 91 LEU CB C 42.3 . 1 898 91 91 LEU CD1 C 24.8 . 1 899 91 91 LEU CD2 C 23.4 . 1 900 91 91 LEU CG C 27.0 . 1 901 91 91 LEU N N 123.3 . 1 902 92 92 GLU H H 8.34 . 1 903 92 92 GLU HA H 4.13 . 1 904 92 92 GLU HB2 H 1.86 . 2 905 92 92 GLU HB3 H 1.86 . 2 906 92 92 GLU HG2 H 2.10 . 2 907 92 92 GLU HG3 H 2.10 . 2 908 92 92 GLU CA C 56.3 . 1 909 92 92 GLU CB C 30.1 . 1 910 92 92 GLU CG C 36.0 . 1 911 92 92 GLU N N 120.9 . 1 912 93 93 HIS H H 8.31 . 1 913 93 93 HIS HA H 4.54 . 1 914 93 93 HIS HB2 H 3.02 . 2 915 93 93 HIS HB3 H 2.99 . 2 916 93 93 HIS CA C 55.7 . 1 917 93 93 HIS CB C 29.8 . 1 918 93 93 HIS N N 119.5 . 1 919 95 95 HIS HA H 4.57 . 1 920 95 95 HIS HB2 H 3.10 . 2 921 95 95 HIS HB3 H 3.08 . 2 922 95 95 HIS CA C 55.6 . 1 923 95 95 HIS CB C 30.0 . 1 924 96 96 HIS H H 8.13 . 1 925 96 96 HIS HA H 4.40 . 1 926 96 96 HIS HB2 H 3.06 . 2 927 96 96 HIS HB3 H 3.18 . 2 928 96 96 HIS CA C 57.0 . 1 929 96 96 HIS CB C 30.2 . 1 930 96 96 HIS N N 125.3 . 1 stop_ save_