data_25042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Investigation of hnRNP L bound to RNA ; _BMRB_accession_number 25042 _BMRB_flat_file_name bmr25042.str _Entry_type original _Submission_date 2014-06-24 _Accession_date 2014-06-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 738 "13C chemical shifts" 419 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25039 'Second RNA Recognition Motif Domain of hnRNP L' 25040 'most two C-terminal RNA Recognition Motif Domain of hnRNP L' 25041 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' 25043 'Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA' stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA ; _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 Blatter Markus . . 2 Allain Frederic . . stop_ _Journal_abbreviation 'To be Published' _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hnRNP L' $entity_1 "RNA (5'-R(*AP*CP*AP*CP*AP*C)-3')" $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13079.807 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; QKISRPGDSDDSRSVNSVLL FTILNPIYSITTDVLYTICN PCGPVQRIVIFRKNGVQAMV EFDSVQSAQRAKASLNGADI YSGCCTLKIEYAKPTRLNVF KNDQDTWDYTNPNLSGQG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 174 GLN 2 175 LYS 3 176 ILE 4 177 SER 5 178 ARG 6 179 PRO 7 180 GLY 8 181 ASP 9 182 SER 10 183 ASP 11 184 ASP 12 185 SER 13 186 ARG 14 187 SER 15 188 VAL 16 189 ASN 17 190 SER 18 191 VAL 19 192 LEU 20 193 LEU 21 194 PHE 22 195 THR 23 196 ILE 24 197 LEU 25 198 ASN 26 199 PRO 27 200 ILE 28 201 TYR 29 202 SER 30 203 ILE 31 204 THR 32 205 THR 33 206 ASP 34 207 VAL 35 208 LEU 36 209 TYR 37 210 THR 38 211 ILE 39 212 CYS 40 213 ASN 41 214 PRO 42 215 CYS 43 216 GLY 44 217 PRO 45 218 VAL 46 219 GLN 47 220 ARG 48 221 ILE 49 222 VAL 50 223 ILE 51 224 PHE 52 225 ARG 53 226 LYS 54 227 ASN 55 228 GLY 56 229 VAL 57 230 GLN 58 231 ALA 59 232 MET 60 233 VAL 61 234 GLU 62 235 PHE 63 236 ASP 64 237 SER 65 238 VAL 66 239 GLN 67 240 SER 68 241 ALA 69 242 GLN 70 243 ARG 71 244 ALA 72 245 LYS 73 246 ALA 74 247 SER 75 248 LEU 76 249 ASN 77 250 GLY 78 251 ALA 79 252 ASP 80 253 ILE 81 254 TYR 82 255 SER 83 256 GLY 84 257 CYS 85 258 CYS 86 259 THR 87 260 LEU 88 261 LYS 89 262 ILE 90 263 GLU 91 264 TYR 92 265 ALA 93 266 LYS 94 267 PRO 95 268 THR 96 269 ARG 97 270 LEU 98 271 ASN 99 272 VAL 100 273 PHE 101 274 LYS 102 275 ASN 103 276 ASP 104 277 GLN 105 278 ASP 106 279 THR 107 280 TRP 108 281 ASP 109 282 TYR 110 283 THR 111 284 ASN 112 285 PRO 113 286 ASN 114 287 LEU 115 288 SER 116 289 GLY 117 290 GLN 118 291 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') _Molecular_mass 1858.218 _Mol_thiol_state 'all free' _Details . _Residue_count 6 _Mol_residue_sequence ; ACACAC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 A 2 2 C 3 3 A 4 4 C 5 5 A 6 6 C 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 $entity_1 'Norway rat' 10116 Eukaryota Metazoa . . $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') . . . . . . 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' . . . . pTYB11 $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 'chemical synthesis' . . . . . 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_1 2 mM '[U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_1 2 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*AP*CP*AP*CP*AP*C)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_3D_F3-filtered-F2-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F3-filtered-F2-edited NOESY' _Sample_label $sample_4 save_ save_2D_F2-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2-filtered NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 310.15 . 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 internal 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hnRNP L' _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 1 174 1 GLN HA H 4.392 0.020 1 2 174 1 GLN HB2 H 2.065 0.020 2 3 174 1 GLN HB3 H 2.065 0.020 2 4 174 1 GLN HG2 H 2.444 0.020 2 5 174 1 GLN HG3 H 2.444 0.020 2 6 174 1 GLN CA C 59.529 0.400 1 7 174 1 GLN CB C 28.046 0.400 1 8 174 1 GLN CG C 32.071 0.400 1 9 175 2 LYS H H 8.379 0.020 1 10 175 2 LYS HA H 4.386 0.020 1 11 175 2 LYS HB2 H 1.843 0.020 2 12 175 2 LYS HB3 H 1.787 0.020 2 13 175 2 LYS HG2 H 1.465 0.020 2 14 175 2 LYS HG3 H 1.412 0.020 2 15 175 2 LYS HD2 H 1.715 0.020 2 16 175 2 LYS HD3 H 1.715 0.020 2 17 175 2 LYS HE2 H 3.027 0.020 2 18 175 2 LYS HE3 H 3.027 0.020 2 19 175 2 LYS CA C 56.463 0.400 1 20 175 2 LYS CB C 33.121 0.400 1 21 175 2 LYS CG C 24.792 0.400 1 22 175 2 LYS CD C 29.222 0.400 1 23 175 2 LYS CE C 42.242 0.400 1 24 175 2 LYS N N 121.783 0.400 1 25 176 3 ILE H H 8.266 0.020 1 26 176 3 ILE HA H 4.275 0.020 1 27 176 3 ILE HB H 1.884 0.020 1 28 176 3 ILE HG12 H 1.502 0.020 2 29 176 3 ILE HG13 H 1.218 0.020 2 30 176 3 ILE HG2 H 0.929 0.020 1 31 176 3 ILE HD1 H 0.883 0.020 1 32 176 3 ILE CA C 60.828 0.400 1 33 176 3 ILE CB C 39.036 0.400 1 34 176 3 ILE CG1 C 27.281 0.400 1 35 176 3 ILE CG2 C 17.551 0.400 1 36 176 3 ILE CD1 C 12.852 0.400 1 37 176 3 ILE N N 123.154 0.400 1 38 177 4 SER H H 8.436 0.020 1 39 177 4 SER HA H 4.537 0.020 1 40 177 4 SER HB2 H 3.867 0.020 2 41 177 4 SER HB3 H 3.842 0.020 2 42 177 4 SER CA C 58.229 0.400 1 43 177 4 SER CB C 63.965 0.400 1 44 177 4 SER N N 121.064 0.400 1 45 178 5 ARG H H 8.455 0.020 1 46 178 5 ARG HB2 H 1.886 0.020 2 47 178 5 ARG HB3 H 1.765 0.020 2 48 178 5 ARG HG2 H 1.682 0.020 2 49 178 5 ARG HG3 H 1.682 0.020 2 50 178 5 ARG HD2 H 3.243 0.020 2 51 178 5 ARG HD3 H 3.243 0.020 2 52 178 5 ARG HE H 7.092 0.020 1 53 178 5 ARG CB C 30.541 0.400 1 54 178 5 ARG CG C 26.941 0.400 1 55 178 5 ARG CD C 43.492 0.400 1 56 178 5 ARG N N 124.313 0.400 1 57 178 5 ARG NE N 85.698 0.400 1 58 179 6 PRO HA H 4.431 0.020 1 59 179 6 PRO HB2 H 2.335 0.020 2 60 179 6 PRO HB3 H 1.981 0.020 2 61 179 6 PRO HG2 H 2.110 0.020 2 62 179 6 PRO HG3 H 2.031 0.020 2 63 179 6 PRO HD2 H 3.834 0.020 2 64 179 6 PRO HD3 H 3.676 0.020 2 65 179 6 PRO CA C 63.745 0.400 1 66 179 6 PRO CB C 32.020 0.400 1 67 179 6 PRO CG C 27.550 0.400 1 68 179 6 PRO CD C 50.675 0.400 1 69 180 7 GLY H H 8.559 0.020 1 70 180 7 GLY HA2 H 4.037 0.020 2 71 180 7 GLY HA3 H 3.999 0.020 2 72 180 7 GLY CA C 45.457 0.400 1 73 180 7 GLY N N 109.761 0.400 1 74 181 8 ASP H H 8.115 0.020 1 75 181 8 ASP HB2 H 2.787 0.020 2 76 181 8 ASP HB3 H 2.741 0.020 2 77 181 8 ASP CB C 41.546 0.400 1 78 181 8 ASP N N 120.659 0.400 1 79 182 9 SER H H 8.289 0.020 1 80 182 9 SER HA H 4.517 0.020 1 81 182 9 SER HB2 H 3.956 0.020 2 82 182 9 SER HB3 H 3.910 0.020 2 83 182 9 SER CA C 58.347 0.400 1 84 182 9 SER CB C 64.143 0.400 1 85 182 9 SER N N 115.580 0.400 1 86 183 10 ASP H H 8.389 0.020 1 87 183 10 ASP HA H 4.704 0.020 1 88 183 10 ASP HB2 H 2.779 0.020 2 89 183 10 ASP HB3 H 2.708 0.020 2 90 183 10 ASP CA C 54.562 0.400 1 91 183 10 ASP CB C 41.280 0.400 1 92 183 10 ASP N N 122.468 0.400 1 93 184 11 ASP H H 8.356 0.020 1 94 184 11 ASP HA H 4.704 0.020 1 95 184 11 ASP HB2 H 2.789 0.020 2 96 184 11 ASP HB3 H 2.789 0.020 2 97 184 11 ASP CA C 54.696 0.400 1 98 184 11 ASP CB C 41.388 0.400 1 99 184 11 ASP N N 121.568 0.400 1 100 185 12 SER H H 8.341 0.020 1 101 185 12 SER HA H 4.379 0.020 1 102 185 12 SER HB2 H 3.988 0.020 2 103 185 12 SER HB3 H 3.957 0.020 2 104 185 12 SER CA C 59.653 0.400 1 105 185 12 SER CB C 63.678 0.400 1 106 185 12 SER N N 116.455 0.400 1 107 186 13 ARG H H 8.197 0.020 1 108 186 13 ARG HA H 4.410 0.020 1 109 186 13 ARG HB2 H 1.982 0.020 1 110 186 13 ARG HB3 H 1.892 0.020 1 111 186 13 ARG HG2 H 1.756 0.020 1 112 186 13 ARG HG3 H 1.713 0.020 1 113 186 13 ARG HD2 H 3.262 0.020 2 114 186 13 ARG HD3 H 3.262 0.020 2 115 186 13 ARG HE H 7.358 0.020 1 116 186 13 ARG CA C 56.475 0.400 1 117 186 13 ARG CB C 30.667 0.400 1 118 186 13 ARG CG C 27.280 0.400 1 119 186 13 ARG CD C 43.444 0.400 1 120 186 13 ARG N N 121.516 0.400 1 121 186 13 ARG NE N 85.147 0.400 1 122 187 14 SER H H 8.107 0.020 1 123 187 14 SER HA H 4.420 0.020 1 124 187 14 SER HB2 H 3.907 0.020 2 125 187 14 SER HB3 H 3.854 0.020 2 126 187 14 SER CA C 58.349 0.400 1 127 187 14 SER CB C 63.847 0.400 1 128 187 14 SER N N 115.985 0.400 1 129 188 15 VAL H H 7.277 0.020 1 130 188 15 VAL HA H 2.472 0.020 1 131 188 15 VAL HB H 1.623 0.020 1 132 188 15 VAL HG1 H 0.723 0.020 2 133 188 15 VAL HG2 H 0.743 0.020 2 134 188 15 VAL CA C 61.583 0.400 1 135 188 15 VAL CB C 32.901 0.400 1 136 188 15 VAL CG1 C 21.348 0.400 1 137 188 15 VAL CG2 C 19.708 0.400 1 138 188 15 VAL N N 116.463 0.400 1 139 189 16 ASN H H 6.692 0.020 1 140 189 16 ASN HA H 4.930 0.020 1 141 189 16 ASN HB2 H 2.956 0.020 2 142 189 16 ASN HB3 H 3.150 0.020 2 143 189 16 ASN HD21 H 7.584 0.020 2 144 189 16 ASN HD22 H 7.171 0.020 2 145 189 16 ASN CA C 51.564 0.400 1 146 189 16 ASN CB C 41.850 0.400 1 147 189 16 ASN N N 118.467 0.400 1 148 189 16 ASN ND2 N 115.537 0.400 1 149 190 17 SER H H 8.286 0.020 1 150 190 17 SER HA H 4.360 0.020 1 151 190 17 SER HB2 H 4.118 0.020 2 152 190 17 SER HB3 H 3.590 0.020 2 153 190 17 SER CA C 59.035 0.400 1 154 190 17 SER CB C 62.813 0.400 1 155 190 17 SER N N 113.427 0.400 1 156 191 18 VAL H H 6.980 0.020 1 157 191 18 VAL HA H 5.205 0.020 1 158 191 18 VAL HB H 2.074 0.020 1 159 191 18 VAL HG1 H 0.664 0.020 2 160 191 18 VAL HG2 H 0.700 0.020 2 161 191 18 VAL CA C 60.448 0.400 1 162 191 18 VAL CB C 32.639 0.400 1 163 191 18 VAL CG1 C 22.299 0.400 1 164 191 18 VAL CG2 C 21.442 0.400 1 165 191 18 VAL N N 120.033 0.400 1 166 192 19 LEU H H 9.115 0.020 1 167 192 19 LEU HA H 5.075 0.020 1 168 192 19 LEU HB2 H 2.043 0.020 1 169 192 19 LEU HB3 H 1.408 0.020 1 170 192 19 LEU HG H 1.988 0.020 1 171 192 19 LEU HD1 H 0.705 0.020 2 172 192 19 LEU HD2 H 1.160 0.020 2 173 192 19 LEU CA C 53.067 0.400 1 174 192 19 LEU CB C 45.863 0.400 1 175 192 19 LEU CG C 26.947 0.400 1 176 192 19 LEU CD1 C 24.248 0.400 1 177 192 19 LEU CD2 C 26.561 0.400 1 178 192 19 LEU N N 124.968 0.400 1 179 193 20 LEU H H 9.430 0.020 1 180 193 20 LEU HA H 5.181 0.020 1 181 193 20 LEU HB2 H 1.687 0.020 1 182 193 20 LEU HB3 H 1.052 0.020 1 183 193 20 LEU HG H 1.419 0.020 1 184 193 20 LEU HD1 H 0.960 0.020 2 185 193 20 LEU HD2 H 0.596 0.020 2 186 193 20 LEU CA C 53.663 0.400 1 187 193 20 LEU CB C 43.984 0.400 1 188 193 20 LEU CG C 27.490 0.400 1 189 193 20 LEU CD1 C 24.090 0.400 1 190 193 20 LEU CD2 C 26.341 0.400 1 191 193 20 LEU N N 123.060 0.400 1 192 194 21 PHE H H 10.324 0.020 1 193 194 21 PHE HA H 5.164 0.020 1 194 194 21 PHE HB2 H 3.288 0.020 1 195 194 21 PHE HB3 H 2.536 0.020 1 196 194 21 PHE HD1 H 7.039 0.020 1 197 194 21 PHE HD2 H 7.039 0.020 1 198 194 21 PHE HE1 H 7.121 0.020 1 199 194 21 PHE HE2 H 7.121 0.020 1 200 194 21 PHE HZ H 7.226 0.020 1 201 194 21 PHE CA C 54.791 0.400 1 202 194 21 PHE CB C 40.154 0.400 1 203 194 21 PHE CD2 C 130.170 0.400 1 204 194 21 PHE CE2 C 130.934 0.400 1 205 194 21 PHE CZ C 129.686 0.400 1 206 194 21 PHE N N 127.649 0.400 1 207 195 22 THR H H 9.365 0.020 1 208 195 22 THR HA H 4.501 0.020 1 209 195 22 THR HB H 3.936 0.020 1 210 195 22 THR HG2 H 0.653 0.020 1 211 195 22 THR CA C 63.709 0.400 1 212 195 22 THR CB C 69.445 0.400 1 213 195 22 THR CG2 C 20.302 0.400 1 214 195 22 THR N N 121.653 0.400 1 215 196 23 ILE H H 8.069 0.020 1 216 196 23 ILE HA H 4.547 0.020 1 217 196 23 ILE HB H 1.977 0.020 1 218 196 23 ILE HG12 H 1.078 0.020 1 219 196 23 ILE HG13 H 1.393 0.020 1 220 196 23 ILE HG2 H 0.677 0.020 1 221 196 23 ILE HD1 H 0.734 0.020 1 222 196 23 ILE CA C 60.677 0.400 1 223 196 23 ILE CB C 36.555 0.400 1 224 196 23 ILE CG1 C 28.377 0.400 1 225 196 23 ILE CG2 C 18.557 0.400 1 226 196 23 ILE CD1 C 13.880 0.400 1 227 196 23 ILE N N 126.504 0.400 1 228 197 24 LEU H H 9.599 0.020 1 229 197 24 LEU HA H 4.488 0.020 1 230 197 24 LEU HB2 H 1.799 0.020 1 231 197 24 LEU HB3 H 1.568 0.020 1 232 197 24 LEU HG H 1.733 0.020 1 233 197 24 LEU HD1 H 0.853 0.020 2 234 197 24 LEU HD2 H 0.870 0.020 2 235 197 24 LEU CA C 54.449 0.400 1 236 197 24 LEU CB C 42.024 0.400 1 237 197 24 LEU CG C 27.153 0.400 1 238 197 24 LEU CD1 C 23.233 0.400 1 239 197 24 LEU CD2 C 25.273 0.400 1 240 197 24 LEU N N 129.421 0.400 1 241 198 25 ASN H H 9.314 0.020 1 242 198 25 ASN HA H 4.552 0.020 1 243 198 25 ASN HB2 H 3.276 0.020 1 244 198 25 ASN HB3 H 2.908 0.020 1 245 198 25 ASN HD21 H 7.823 0.020 1 246 198 25 ASN HD22 H 6.883 0.020 1 247 198 25 ASN CA C 53.713 0.400 1 248 198 25 ASN CB C 37.856 0.400 1 249 198 25 ASN N N 116.213 0.400 1 250 198 25 ASN ND2 N 111.710 0.400 1 251 199 26 PRO HA H 5.309 0.020 1 252 199 26 PRO HB2 H 2.418 0.020 1 253 199 26 PRO HB3 H 1.642 0.020 1 254 199 26 PRO HG2 H 2.150 0.020 2 255 199 26 PRO HG3 H 2.150 0.020 2 256 199 26 PRO HD2 H 4.098 0.020 1 257 199 26 PRO HD3 H 3.722 0.020 1 258 199 26 PRO CA C 62.899 0.400 1 259 199 26 PRO CB C 28.360 0.400 1 260 199 26 PRO CG C 27.725 0.400 1 261 199 26 PRO CD C 49.825 0.400 1 262 200 27 ILE H H 8.093 0.020 1 263 200 27 ILE HA H 3.914 0.020 1 264 200 27 ILE HB H 1.732 0.020 1 265 200 27 ILE HG12 H 1.056 0.020 1 266 200 27 ILE HG13 H 0.908 0.020 1 267 200 27 ILE HG2 H 0.587 0.020 1 268 200 27 ILE HD1 H 0.775 0.020 1 269 200 27 ILE CA C 63.036 0.400 1 270 200 27 ILE CB C 38.369 0.400 1 271 200 27 ILE CG1 C 27.175 0.400 1 272 200 27 ILE CG2 C 17.435 0.400 1 273 200 27 ILE CD1 C 13.068 0.400 1 274 200 27 ILE N N 120.769 0.400 1 275 201 28 TYR H H 6.623 0.020 1 276 201 28 TYR HA H 4.640 0.020 1 277 201 28 TYR HB2 H 2.282 0.020 1 278 201 28 TYR HB3 H 2.870 0.020 1 279 201 28 TYR HD1 H 6.827 0.020 1 280 201 28 TYR HD2 H 6.827 0.020 1 281 201 28 TYR HE1 H 6.658 0.020 1 282 201 28 TYR HE2 H 6.658 0.020 1 283 201 28 TYR CA C 56.175 0.400 1 284 201 28 TYR CB C 40.971 0.400 1 285 201 28 TYR CD2 C 132.874 0.400 1 286 201 28 TYR CE2 C 117.914 0.400 1 287 201 28 TYR N N 117.236 0.400 1 288 202 29 SER H H 8.180 0.020 1 289 202 29 SER HA H 4.296 0.020 1 290 202 29 SER HB2 H 3.861 0.020 2 291 202 29 SER HB3 H 3.811 0.020 2 292 202 29 SER CA C 59.258 0.400 1 293 202 29 SER CB C 63.442 0.400 1 294 202 29 SER N N 113.124 0.400 1 295 203 30 ILE H H 8.628 0.020 1 296 203 30 ILE HA H 4.272 0.020 1 297 203 30 ILE HB H 2.109 0.020 1 298 203 30 ILE HG12 H 1.937 0.020 1 299 203 30 ILE HG13 H 1.380 0.020 1 300 203 30 ILE HG2 H 0.772 0.020 1 301 203 30 ILE HD1 H 0.920 0.020 1 302 203 30 ILE CA C 59.592 0.400 1 303 203 30 ILE CB C 37.173 0.400 1 304 203 30 ILE CG1 C 25.846 0.400 1 305 203 30 ILE CG2 C 16.901 0.400 1 306 203 30 ILE CD1 C 10.912 0.400 1 307 203 30 ILE N N 125.908 0.400 1 308 204 31 THR H H 6.440 0.020 1 309 204 31 THR HA H 4.971 0.020 1 310 204 31 THR HB H 4.776 0.020 1 311 204 31 THR HG2 H 1.240 0.020 1 312 204 31 THR CA C 59.061 0.400 1 313 204 31 THR CB C 73.066 0.400 1 314 204 31 THR CG2 C 21.908 0.400 1 315 204 31 THR N N 113.401 0.400 1 316 205 32 THR H H 8.883 0.020 1 317 205 32 THR HA H 3.589 0.020 1 318 205 32 THR HB H 4.321 0.020 1 319 205 32 THR HG2 H 1.296 0.020 1 320 205 32 THR CA C 65.958 0.400 1 321 205 32 THR CB C 67.551 0.400 1 322 205 32 THR CG2 C 23.965 0.400 1 323 205 32 THR N N 113.363 0.400 1 324 206 33 ASP H H 7.800 0.020 1 325 206 33 ASP HA H 4.231 0.020 1 326 206 33 ASP HB2 H 2.478 0.020 2 327 206 33 ASP HB3 H 2.478 0.020 2 328 206 33 ASP CA C 57.205 0.400 1 329 206 33 ASP CB C 40.654 0.400 1 330 206 33 ASP N N 117.316 0.400 1 331 207 34 VAL H H 7.284 0.020 1 332 207 34 VAL HA H 3.717 0.020 1 333 207 34 VAL HB H 2.184 0.020 1 334 207 34 VAL HG1 H 1.234 0.020 2 335 207 34 VAL HG2 H 1.038 0.020 2 336 207 34 VAL CA C 66.073 0.400 1 337 207 34 VAL CB C 32.911 0.400 1 338 207 34 VAL CG1 C 22.469 0.400 1 339 207 34 VAL CG2 C 20.956 0.400 1 340 207 34 VAL N N 121.078 0.400 1 341 208 35 LEU H H 7.466 0.020 1 342 208 35 LEU HA H 4.121 0.020 1 343 208 35 LEU HB2 H 1.818 0.020 1 344 208 35 LEU HB3 H 1.086 0.020 1 345 208 35 LEU HG H 1.598 0.020 1 346 208 35 LEU HD1 H 0.575 0.020 2 347 208 35 LEU HD2 H 0.440 0.020 2 348 208 35 LEU CA C 56.899 0.400 1 349 208 35 LEU CB C 41.928 0.400 1 350 208 35 LEU CG C 26.960 0.400 1 351 208 35 LEU CD1 C 22.171 0.400 1 352 208 35 LEU CD2 C 26.402 0.400 1 353 208 35 LEU N N 116.237 0.400 1 354 209 36 TYR H H 9.116 0.020 1 355 209 36 TYR HA H 3.489 0.020 1 356 209 36 TYR HB2 H 2.735 0.020 1 357 209 36 TYR HB3 H 3.151 0.020 1 358 209 36 TYR HD1 H 6.219 0.020 1 359 209 36 TYR HD2 H 6.219 0.020 1 360 209 36 TYR HE1 H 6.227 0.020 1 361 209 36 TYR HE2 H 6.227 0.020 1 362 209 36 TYR CA C 63.557 0.400 1 363 209 36 TYR CB C 38.318 0.400 1 364 209 36 TYR CD1 C 132.277 0.400 1 365 209 36 TYR CE1 C 117.637 0.400 1 366 209 36 TYR N N 123.122 0.400 1 367 210 37 THR H H 7.808 0.020 1 368 210 37 THR HA H 3.722 0.020 1 369 210 37 THR HB H 4.331 0.020 1 370 210 37 THR HG2 H 1.235 0.020 1 371 210 37 THR CA C 66.546 0.400 1 372 210 37 THR CB C 69.060 0.400 1 373 210 37 THR CG2 C 21.553 0.400 1 374 210 37 THR N N 112.696 0.400 1 375 211 38 ILE H H 7.066 0.020 1 376 211 38 ILE HA H 4.273 0.020 1 377 211 38 ILE HB H 1.942 0.020 1 378 211 38 ILE HG12 H 1.660 0.020 1 379 211 38 ILE HG13 H 1.502 0.020 1 380 211 38 ILE HG2 H 0.977 0.020 1 381 211 38 ILE HD1 H 0.814 0.020 1 382 211 38 ILE CA C 62.669 0.400 1 383 211 38 ILE CB C 38.494 0.400 1 384 211 38 ILE CG1 C 27.585 0.400 1 385 211 38 ILE CG2 C 17.673 0.400 1 386 211 38 ILE CD1 C 14.226 0.400 1 387 211 38 ILE N N 113.801 0.400 1 388 212 39 CYS H H 7.926 0.020 1 389 212 39 CYS HA H 4.463 0.020 1 390 212 39 CYS HB2 H 2.758 0.020 1 391 212 39 CYS HB3 H 2.660 0.020 1 392 212 39 CYS CA C 63.679 0.400 1 393 212 39 CYS CB C 29.634 0.400 1 394 212 39 CYS N N 117.072 0.400 1 395 213 40 ASN H H 8.415 0.020 1 396 213 40 ASN HA H 4.906 0.020 1 397 213 40 ASN HB2 H 2.008 0.020 1 398 213 40 ASN HB3 H 1.460 0.020 1 399 213 40 ASN HD21 H 7.096 0.020 1 400 213 40 ASN HD22 H 6.474 0.020 1 401 213 40 ASN CA C 56.761 0.400 1 402 213 40 ASN CB C 37.273 0.400 1 403 213 40 ASN N N 120.412 0.400 1 404 213 40 ASN ND2 N 114.027 0.400 1 405 214 41 PRO HA H 4.301 0.020 1 406 214 41 PRO HB2 H 2.389 0.020 1 407 214 41 PRO HB3 H 1.671 0.020 1 408 214 41 PRO HG2 H 2.078 0.020 1 409 214 41 PRO HG3 H 1.853 0.020 1 410 214 41 PRO HD2 H 3.400 0.020 1 411 214 41 PRO HD3 H 3.147 0.020 1 412 214 41 PRO CA C 65.469 0.400 1 413 214 41 PRO CB C 31.649 0.400 1 414 214 41 PRO CG C 28.956 0.400 1 415 214 41 PRO CD C 51.735 0.400 1 416 215 42 CYS H H 7.849 0.020 1 417 215 42 CYS HA H 4.183 0.020 1 418 215 42 CYS HB2 H 3.189 0.020 1 419 215 42 CYS HB3 H 2.624 0.020 1 420 215 42 CYS CA C 60.623 0.400 1 421 215 42 CYS CB C 28.087 0.400 1 422 215 42 CYS N N 113.781 0.400 1 423 216 43 GLY H H 7.612 0.020 1 424 216 43 GLY HA2 H 4.084 0.020 2 425 216 43 GLY HA3 H 4.055 0.020 2 426 216 43 GLY CA C 44.558 0.400 1 427 216 43 GLY N N 108.397 0.400 1 428 217 44 PRO HA H 4.394 0.020 1 429 217 44 PRO HB2 H 2.222 0.020 1 430 217 44 PRO HB3 H 1.829 0.020 1 431 217 44 PRO HG2 H 2.084 0.020 1 432 217 44 PRO HG3 H 1.897 0.020 1 433 217 44 PRO HD2 H 3.717 0.020 2 434 217 44 PRO HD3 H 3.655 0.020 2 435 217 44 PRO CA C 63.804 0.400 1 436 217 44 PRO CB C 31.940 0.400 1 437 217 44 PRO CG C 27.992 0.400 1 438 217 44 PRO CD C 49.840 0.400 1 439 218 45 VAL H H 8.170 0.020 1 440 218 45 VAL HA H 3.435 0.020 1 441 218 45 VAL HB H 1.654 0.020 1 442 218 45 VAL HG1 H 0.459 0.020 2 443 218 45 VAL HG2 H 0.588 0.020 2 444 218 45 VAL CA C 63.051 0.400 1 445 218 45 VAL CB C 32.861 0.400 1 446 218 45 VAL CG1 C 22.973 0.400 1 447 218 45 VAL CG2 C 22.688 0.400 1 448 218 45 VAL N N 128.178 0.400 1 449 219 46 GLN H H 9.463 0.020 1 450 219 46 GLN HA H 4.575 0.020 1 451 219 46 GLN HB2 H 2.011 0.020 2 452 219 46 GLN HB3 H 1.659 0.020 2 453 219 46 GLN HG2 H 2.251 0.020 1 454 219 46 GLN HG3 H 2.098 0.020 1 455 219 46 GLN HE21 H 7.197 0.020 1 456 219 46 GLN HE22 H 6.814 0.020 1 457 219 46 GLN CA C 56.474 0.400 1 458 219 46 GLN CB C 30.401 0.400 1 459 219 46 GLN CG C 33.807 0.400 1 460 219 46 GLN N N 122.530 0.400 1 461 219 46 GLN NE2 N 112.232 0.400 1 462 220 47 ARG H H 7.587 0.020 1 463 220 47 ARG HA H 5.732 0.020 1 464 220 47 ARG HB2 H 1.859 0.020 1 465 220 47 ARG HB3 H 1.748 0.020 1 466 220 47 ARG HG2 H 1.892 0.020 1 467 220 47 ARG HG3 H 1.783 0.020 1 468 220 47 ARG HD2 H 3.321 0.020 2 469 220 47 ARG HD3 H 2.966 0.020 2 470 220 47 ARG HE H 7.276 0.020 1 471 220 47 ARG CA C 54.830 0.400 1 472 220 47 ARG CB C 40.061 0.400 1 473 220 47 ARG CG C 31.441 0.400 1 474 220 47 ARG CD C 42.559 0.400 1 475 220 47 ARG N N 116.922 0.400 1 476 220 47 ARG NE N 84.589 0.400 1 477 221 48 ILE H H 9.072 0.020 1 478 221 48 ILE HA H 4.879 0.020 1 479 221 48 ILE HB H 1.695 0.020 1 480 221 48 ILE HG12 H 1.746 0.020 1 481 221 48 ILE HG13 H 1.066 0.020 1 482 221 48 ILE HG2 H 0.849 0.020 1 483 221 48 ILE HD1 H 0.985 0.020 1 484 221 48 ILE CA C 61.220 0.400 1 485 221 48 ILE CB C 43.615 0.400 1 486 221 48 ILE CG1 C 28.521 0.400 1 487 221 48 ILE CG2 C 17.973 0.400 1 488 221 48 ILE CD1 C 14.079 0.400 1 489 221 48 ILE N N 119.465 0.400 1 490 222 49 VAL H H 8.942 0.020 1 491 222 49 VAL HA H 4.856 0.020 1 492 222 49 VAL HB H 2.069 0.020 1 493 222 49 VAL HG1 H 1.025 0.020 2 494 222 49 VAL HG2 H 1.187 0.020 2 495 222 49 VAL CA C 61.195 0.400 1 496 222 49 VAL CB C 36.167 0.400 1 497 222 49 VAL CG1 C 21.937 0.400 1 498 222 49 VAL CG2 C 21.901 0.400 1 499 222 49 VAL N N 123.147 0.400 1 500 223 50 ILE H H 9.260 0.020 1 501 223 50 ILE HA H 4.789 0.020 1 502 223 50 ILE HB H 2.148 0.020 1 503 223 50 ILE HG12 H 1.665 0.020 1 504 223 50 ILE HG13 H 0.722 0.020 1 505 223 50 ILE HG2 H 0.941 0.020 1 506 223 50 ILE HD1 H 0.869 0.020 1 507 223 50 ILE CA C 61.182 0.400 1 508 223 50 ILE CB C 39.312 0.400 1 509 223 50 ILE CG1 C 29.160 0.400 1 510 223 50 ILE CG2 C 16.726 0.400 1 511 223 50 ILE CD1 C 14.512 0.400 1 512 223 50 ILE N N 127.851 0.400 1 513 224 51 PHE H H 8.998 0.020 1 514 224 51 PHE HA H 5.242 0.020 1 515 224 51 PHE HB2 H 3.314 0.020 1 516 224 51 PHE HB3 H 3.225 0.020 1 517 224 51 PHE HD1 H 7.143 0.020 1 518 224 51 PHE HD2 H 7.143 0.020 1 519 224 51 PHE HE1 H 7.130 0.020 1 520 224 51 PHE HE2 H 7.130 0.020 1 521 224 51 PHE HZ H 7.038 0.020 1 522 224 51 PHE CA C 55.960 0.400 1 523 224 51 PHE CB C 41.364 0.400 1 524 224 51 PHE CD2 C 132.769 0.400 1 525 224 51 PHE CE2 C 130.819 0.400 1 526 224 51 PHE CZ C 129.326 0.400 1 527 224 51 PHE N N 123.775 0.400 1 528 225 52 ARG H H 8.819 0.020 1 529 225 52 ARG HA H 5.367 0.020 1 530 225 52 ARG HB2 H 2.235 0.020 1 531 225 52 ARG HB3 H 1.646 0.020 1 532 225 52 ARG HG2 H 1.670 0.020 2 533 225 52 ARG HG3 H 1.574 0.020 2 534 225 52 ARG HD2 H 3.416 0.020 2 535 225 52 ARG HD3 H 3.261 0.020 2 536 225 52 ARG HE H 7.511 0.020 1 537 225 52 ARG HH11 H 7.071 0.020 2 538 225 52 ARG HH12 H 7.071 0.020 2 539 225 52 ARG CA C 55.776 0.400 1 540 225 52 ARG CB C 30.636 0.400 1 541 225 52 ARG CG C 29.063 0.400 1 542 225 52 ARG CD C 43.187 0.400 1 543 225 52 ARG N N 122.532 0.400 1 544 225 52 ARG NE N 85.245 0.400 1 545 225 52 ARG NH1 N 71.533 0.400 1 546 226 53 LYS H H 7.583 0.020 1 547 226 53 LYS HA H 4.303 0.020 1 548 226 53 LYS HB2 H 2.076 0.020 1 549 226 53 LYS HB3 H 1.961 0.020 1 550 226 53 LYS HG2 H 1.631 0.020 1 551 226 53 LYS HG3 H 1.570 0.020 1 552 226 53 LYS HD2 H 1.867 0.020 2 553 226 53 LYS HD3 H 1.834 0.020 2 554 226 53 LYS HE2 H 3.107 0.020 2 555 226 53 LYS HE3 H 3.107 0.020 2 556 226 53 LYS CA C 58.481 0.400 1 557 226 53 LYS CB C 33.446 0.400 1 558 226 53 LYS CG C 24.889 0.400 1 559 226 53 LYS CD C 29.458 0.400 1 560 226 53 LYS CE C 42.248 0.400 1 561 226 53 LYS N N 121.550 0.400 1 562 227 54 ASN H H 8.960 0.020 1 563 227 54 ASN HA H 5.023 0.020 1 564 227 54 ASN HB2 H 2.765 0.020 2 565 227 54 ASN HB3 H 2.711 0.020 2 566 227 54 ASN HD21 H 7.877 0.020 2 567 227 54 ASN HD22 H 7.283 0.020 2 568 227 54 ASN CA C 52.740 0.400 1 569 227 54 ASN CB C 40.031 0.400 1 570 227 54 ASN N N 116.894 0.400 1 571 227 54 ASN ND2 N 114.687 0.400 1 572 228 55 GLY H H 7.556 0.020 1 573 228 55 GLY HA2 H 4.225 0.020 2 574 228 55 GLY HA3 H 3.722 0.020 2 575 228 55 GLY CA C 45.492 0.400 1 576 228 55 GLY N N 109.415 0.400 1 577 229 56 VAL H H 9.261 0.020 1 578 229 56 VAL HA H 4.308 0.020 1 579 229 56 VAL HB H 2.018 0.020 1 580 229 56 VAL HG1 H 1.078 0.020 2 581 229 56 VAL HG2 H 0.871 0.020 2 582 229 56 VAL CA C 63.736 0.400 1 583 229 56 VAL CB C 33.413 0.400 1 584 229 56 VAL CG1 C 21.744 0.400 1 585 229 56 VAL CG2 C 21.625 0.400 1 586 229 56 VAL N N 124.414 0.400 1 587 230 57 GLN H H 8.005 0.020 1 588 230 57 GLN HA H 5.117 0.020 1 589 230 57 GLN HB2 H 1.709 0.020 1 590 230 57 GLN HB3 H 0.867 0.020 1 591 230 57 GLN HG2 H 2.388 0.020 1 592 230 57 GLN HG3 H 2.181 0.020 1 593 230 57 GLN HE21 H 7.148 0.020 1 594 230 57 GLN HE22 H 7.089 0.020 1 595 230 57 GLN CA C 53.200 0.400 1 596 230 57 GLN CB C 36.206 0.400 1 597 230 57 GLN CG C 36.734 0.400 1 598 230 57 GLN N N 123.721 0.400 1 599 230 57 GLN NE2 N 112.306 0.400 1 600 231 58 ALA H H 9.264 0.020 1 601 231 58 ALA HA H 5.534 0.020 1 602 231 58 ALA HB H 1.000 0.020 1 603 231 58 ALA CA C 50.373 0.400 1 604 231 58 ALA CB C 24.155 0.400 1 605 231 58 ALA N N 118.720 0.400 1 606 232 59 MET H H 9.639 0.020 1 607 232 59 MET HA H 5.719 0.020 1 608 232 59 MET HB2 H 1.594 0.020 2 609 232 59 MET HB3 H 1.594 0.020 2 610 232 59 MET HG2 H 2.585 0.020 1 611 232 59 MET HG3 H 2.384 0.020 1 612 232 59 MET HE H 1.996 0.020 1 613 232 59 MET CA C 54.493 0.400 1 614 232 59 MET CB C 35.750 0.400 1 615 232 59 MET CG C 34.867 0.400 1 616 232 59 MET CE C 18.692 0.400 1 617 232 59 MET N N 119.984 0.400 1 618 233 60 VAL H H 8.782 0.020 1 619 233 60 VAL HA H 4.370 0.020 1 620 233 60 VAL HB H 1.729 0.020 1 621 233 60 VAL HG1 H 0.267 0.020 2 622 233 60 VAL HG2 H 0.304 0.020 2 623 233 60 VAL CA C 61.256 0.400 1 624 233 60 VAL CB C 34.855 0.400 1 625 233 60 VAL CG1 C 19.887 0.400 1 626 233 60 VAL CG2 C 22.187 0.400 1 627 233 60 VAL N N 121.842 0.400 1 628 234 61 GLU H H 9.069 0.020 1 629 234 61 GLU HA H 4.864 0.020 1 630 234 61 GLU HB2 H 2.074 0.020 1 631 234 61 GLU HB3 H 1.838 0.020 1 632 234 61 GLU HG2 H 2.361 0.020 1 633 234 61 GLU HG3 H 2.168 0.020 1 634 234 61 GLU CA C 54.618 0.400 1 635 234 61 GLU CB C 32.626 0.400 1 636 234 61 GLU CG C 35.374 0.400 1 637 234 61 GLU N N 128.930 0.400 1 638 235 62 PHE H H 9.094 0.020 1 639 235 62 PHE HA H 5.175 0.020 1 640 235 62 PHE HB2 H 3.399 0.020 1 641 235 62 PHE HB3 H 3.277 0.020 1 642 235 62 PHE HD1 H 7.185 0.020 1 643 235 62 PHE HD2 H 7.185 0.020 1 644 235 62 PHE HE1 H 7.147 0.020 1 645 235 62 PHE HE2 H 7.147 0.020 1 646 235 62 PHE HZ H 6.826 0.020 1 647 235 62 PHE CA C 58.188 0.400 1 648 235 62 PHE CB C 41.893 0.400 1 649 235 62 PHE CD2 C 132.140 0.400 1 650 235 62 PHE CE2 C 131.575 0.400 1 651 235 62 PHE CZ C 128.623 0.400 1 652 235 62 PHE N N 127.018 0.400 1 653 236 63 ASP H H 8.850 0.020 1 654 236 63 ASP HA H 4.189 0.020 1 655 236 63 ASP HB2 H 2.925 0.020 1 656 236 63 ASP HB3 H 2.813 0.020 1 657 236 63 ASP CA C 56.198 0.400 1 658 236 63 ASP CB C 40.122 0.400 1 659 236 63 ASP N N 118.832 0.400 1 660 237 64 SER H H 7.783 0.020 1 661 237 64 SER HA H 4.939 0.020 1 662 237 64 SER HB2 H 4.309 0.020 2 663 237 64 SER HB3 H 4.041 0.020 2 664 237 64 SER CA C 56.694 0.400 1 665 237 64 SER CB C 67.255 0.400 1 666 237 64 SER N N 111.005 0.400 1 667 238 65 VAL H H 8.911 0.020 1 668 238 65 VAL HA H 3.669 0.020 1 669 238 65 VAL HB H 1.988 0.020 1 670 238 65 VAL HG1 H 0.862 0.020 2 671 238 65 VAL HG2 H 0.962 0.020 2 672 238 65 VAL CA C 65.667 0.400 1 673 238 65 VAL CB C 31.608 0.400 1 674 238 65 VAL CG1 C 21.335 0.400 1 675 238 65 VAL CG2 C 21.647 0.400 1 676 238 65 VAL N N 119.961 0.400 1 677 239 66 GLN H H 8.324 0.020 1 678 239 66 GLN HA H 4.146 0.020 1 679 239 66 GLN HB2 H 2.191 0.020 1 680 239 66 GLN HB3 H 2.040 0.020 1 681 239 66 GLN HG2 H 2.527 0.020 2 682 239 66 GLN HG3 H 2.446 0.020 2 683 239 66 GLN HE21 H 7.564 0.020 2 684 239 66 GLN HE22 H 6.900 0.020 2 685 239 66 GLN CA C 60.172 0.400 1 686 239 66 GLN CB C 27.950 0.400 1 687 239 66 GLN CG C 34.719 0.400 1 688 239 66 GLN N N 119.529 0.400 1 689 239 66 GLN NE2 N 112.054 0.400 1 690 240 67 SER H H 7.956 0.020 1 691 240 67 SER HA H 4.110 0.020 1 692 240 67 SER HB2 H 4.119 0.020 1 693 240 67 SER HB3 H 3.638 0.020 1 694 240 67 SER CA C 61.367 0.400 1 695 240 67 SER CB C 62.944 0.400 1 696 240 67 SER N N 117.614 0.400 1 697 241 68 ALA H H 7.386 0.020 1 698 241 68 ALA HA H 3.064 0.020 1 699 241 68 ALA HB H 1.699 0.020 1 700 241 68 ALA CA C 55.121 0.400 1 701 241 68 ALA CB C 18.759 0.400 1 702 241 68 ALA N N 123.539 0.400 1 703 242 69 GLN H H 8.891 0.020 1 704 242 69 GLN HA H 4.180 0.020 1 705 242 69 GLN HB2 H 2.326 0.020 1 706 242 69 GLN HB3 H 2.105 0.020 1 707 242 69 GLN HG2 H 2.651 0.020 1 708 242 69 GLN HG3 H 2.610 0.020 1 709 242 69 GLN HE21 H 6.984 0.020 1 710 242 69 GLN HE22 H 6.873 0.020 1 711 242 69 GLN CA C 59.482 0.400 1 712 242 69 GLN CB C 29.234 0.400 1 713 242 69 GLN CG C 34.808 0.400 1 714 242 69 GLN N N 117.015 0.400 1 715 242 69 GLN NE2 N 110.387 0.400 1 716 243 70 ARG H H 7.717 0.020 1 717 243 70 ARG HA H 4.081 0.020 1 718 243 70 ARG HB2 H 1.985 0.020 1 719 243 70 ARG HB3 H 1.940 0.020 1 720 243 70 ARG HG2 H 1.838 0.020 1 721 243 70 ARG HG3 H 1.588 0.020 1 722 243 70 ARG HD2 H 3.366 0.020 2 723 243 70 ARG HD3 H 3.336 0.020 2 724 243 70 ARG HE H 7.370 0.020 1 725 243 70 ARG CA C 59.453 0.400 1 726 243 70 ARG CB C 30.087 0.400 1 727 243 70 ARG CG C 28.114 0.400 1 728 243 70 ARG CD C 43.609 0.400 1 729 243 70 ARG N N 120.594 0.400 1 730 243 70 ARG NE N 85.371 0.400 1 731 244 71 ALA H H 8.003 0.020 1 732 244 71 ALA HA H 4.318 0.020 1 733 244 71 ALA HB H 1.127 0.020 1 734 244 71 ALA CA C 55.148 0.400 1 735 244 71 ALA CB C 19.245 0.400 1 736 244 71 ALA N N 123.238 0.400 1 737 245 72 LYS H H 8.524 0.020 1 738 245 72 LYS HA H 3.586 0.020 1 739 245 72 LYS HB2 H 1.853 0.020 1 740 245 72 LYS HB3 H 1.507 0.020 1 741 245 72 LYS HG2 H 1.382 0.020 1 742 245 72 LYS HG3 H 0.772 0.020 1 743 245 72 LYS HD2 H 1.261 0.020 1 744 245 72 LYS HD3 H 0.732 0.020 1 745 245 72 LYS HE2 H 2.788 0.020 1 746 245 72 LYS HE3 H 2.605 0.020 1 747 245 72 LYS CA C 60.344 0.400 1 748 245 72 LYS CB C 32.765 0.400 1 749 245 72 LYS CG C 25.114 0.400 1 750 245 72 LYS CD C 29.694 0.400 1 751 245 72 LYS CE C 41.974 0.400 1 752 245 72 LYS N N 118.522 0.400 1 753 246 73 ALA H H 7.808 0.020 1 754 246 73 ALA HA H 4.154 0.020 1 755 246 73 ALA HB H 1.522 0.020 1 756 246 73 ALA CA C 54.560 0.400 1 757 246 73 ALA CB C 18.621 0.400 1 758 246 73 ALA N N 117.907 0.400 1 759 247 74 SER H H 7.949 0.020 1 760 247 74 SER HA H 4.379 0.020 1 761 247 74 SER HB2 H 3.966 0.020 1 762 247 74 SER HB3 H 3.885 0.020 1 763 247 74 SER CA C 61.256 0.400 1 764 247 74 SER CB C 64.475 0.400 1 765 247 74 SER N N 111.233 0.400 1 766 248 75 LEU H H 8.186 0.020 1 767 248 75 LEU HA H 4.361 0.020 1 768 248 75 LEU HB2 H 1.679 0.020 1 769 248 75 LEU HB3 H 1.310 0.020 1 770 248 75 LEU HG H 1.721 0.020 1 771 248 75 LEU HD1 H 0.699 0.020 2 772 248 75 LEU HD2 H 0.938 0.020 2 773 248 75 LEU CA C 54.929 0.400 1 774 248 75 LEU CB C 43.596 0.400 1 775 248 75 LEU CG C 26.841 0.400 1 776 248 75 LEU CD1 C 21.988 0.400 1 777 248 75 LEU CD2 C 26.995 0.400 1 778 248 75 LEU N N 117.464 0.400 1 779 249 76 ASN H H 7.369 0.020 1 780 249 76 ASN HA H 4.135 0.020 1 781 249 76 ASN HB2 H 2.987 0.020 1 782 249 76 ASN HB3 H 2.896 0.020 1 783 249 76 ASN HD21 H 7.605 0.020 1 784 249 76 ASN HD22 H 6.928 0.020 1 785 249 76 ASN CA C 56.098 0.400 1 786 249 76 ASN CB C 38.380 0.400 1 787 249 76 ASN N N 117.299 0.400 1 788 249 76 ASN ND2 N 112.553 0.400 1 789 250 77 GLY H H 8.856 0.020 1 790 250 77 GLY HA2 H 4.214 0.020 2 791 250 77 GLY HA3 H 3.607 0.020 2 792 250 77 GLY CA C 45.602 0.400 1 793 250 77 GLY N N 116.117 0.400 1 794 251 78 ALA H H 8.078 0.020 1 795 251 78 ALA HA H 4.370 0.020 1 796 251 78 ALA HB H 1.389 0.020 1 797 251 78 ALA CA C 51.807 0.400 1 798 251 78 ALA CB C 19.601 0.400 1 799 251 78 ALA N N 123.886 0.400 1 800 252 79 ASP H H 8.158 0.020 1 801 252 79 ASP HA H 5.022 0.020 1 802 252 79 ASP HB2 H 3.578 0.020 2 803 252 79 ASP HB3 H 2.446 0.020 2 804 252 79 ASP CA C 53.098 0.400 1 805 252 79 ASP CB C 41.642 0.400 1 806 252 79 ASP N N 119.699 0.400 1 807 253 80 ILE H H 8.684 0.020 1 808 253 80 ILE HA H 3.533 0.020 1 809 253 80 ILE HB H 1.520 0.020 1 810 253 80 ILE HG12 H 1.984 0.020 1 811 253 80 ILE HG13 H 0.862 0.020 1 812 253 80 ILE HG2 H 0.261 0.020 1 813 253 80 ILE HD1 H 0.772 0.020 1 814 253 80 ILE CA C 65.195 0.400 1 815 253 80 ILE CB C 38.437 0.400 1 816 253 80 ILE CG1 C 28.298 0.400 1 817 253 80 ILE CG2 C 16.992 0.400 1 818 253 80 ILE CD1 C 14.034 0.400 1 819 253 80 ILE N N 122.520 0.400 1 820 254 81 TYR H H 7.005 0.020 1 821 254 81 TYR HA H 4.687 0.020 1 822 254 81 TYR HB2 H 2.919 0.020 2 823 254 81 TYR HB3 H 2.469 0.020 2 824 254 81 TYR HD1 H 7.066 0.020 1 825 254 81 TYR HD2 H 7.066 0.020 1 826 254 81 TYR HE1 H 6.631 0.020 1 827 254 81 TYR HE2 H 6.631 0.020 1 828 254 81 TYR CA C 55.540 0.400 1 829 254 81 TYR CB C 41.604 0.400 1 830 254 81 TYR CD2 C 133.806 0.400 1 831 254 81 TYR CE2 C 117.913 0.400 1 832 254 81 TYR N N 114.184 0.400 1 833 255 82 SER H H 8.382 0.020 1 834 255 82 SER HA H 4.211 0.020 1 835 255 82 SER HB2 H 3.930 0.020 1 836 255 82 SER HB3 H 3.892 0.020 1 837 255 82 SER CA C 60.624 0.400 1 838 255 82 SER CB C 63.153 0.400 1 839 255 82 SER N N 113.713 0.400 1 840 256 83 GLY H H 9.145 0.020 1 841 256 83 GLY HA2 H 4.201 0.020 2 842 256 83 GLY HA3 H 3.824 0.020 2 843 256 83 GLY CA C 46.181 0.400 1 844 256 83 GLY N N 115.406 0.400 1 845 257 84 CYS H H 8.440 0.020 1 846 257 84 CYS HA H 5.138 0.020 1 847 257 84 CYS HB2 H 3.504 0.020 1 848 257 84 CYS HB3 H 3.327 0.020 1 849 257 84 CYS CA C 57.088 0.400 1 850 257 84 CYS CB C 29.542 0.400 1 851 257 84 CYS N N 114.851 0.400 1 852 258 85 CYS H H 8.197 0.020 1 853 258 85 CYS HA H 3.957 0.020 1 854 258 85 CYS HB2 H 3.549 0.020 1 855 258 85 CYS HB3 H 2.760 0.020 1 856 258 85 CYS CA C 59.887 0.400 1 857 258 85 CYS CB C 27.671 0.400 1 858 258 85 CYS N N 110.308 0.400 1 859 259 86 THR H H 8.024 0.020 1 860 259 86 THR HA H 4.924 0.020 1 861 259 86 THR HB H 3.697 0.020 1 862 259 86 THR HG2 H 1.115 0.020 1 863 259 86 THR CA C 62.875 0.400 1 864 259 86 THR CB C 70.396 0.400 1 865 259 86 THR CG2 C 21.731 0.400 1 866 259 86 THR N N 118.802 0.400 1 867 260 87 LEU H H 9.085 0.020 1 868 260 87 LEU HA H 4.459 0.020 1 869 260 87 LEU HB2 H 2.332 0.020 1 870 260 87 LEU HB3 H 0.839 0.020 1 871 260 87 LEU HG H 1.957 0.020 1 872 260 87 LEU HD1 H 0.813 0.020 2 873 260 87 LEU HD2 H 0.665 0.020 2 874 260 87 LEU CA C 55.406 0.400 1 875 260 87 LEU CB C 43.026 0.400 1 876 260 87 LEU CG C 26.378 0.400 1 877 260 87 LEU CD1 C 25.944 0.400 1 878 260 87 LEU CD2 C 24.974 0.400 1 879 260 87 LEU N N 125.383 0.400 1 880 261 88 LYS H H 8.677 0.020 1 881 261 88 LYS HA H 4.812 0.020 1 882 261 88 LYS HB2 H 1.857 0.020 1 883 261 88 LYS HB3 H 1.685 0.020 1 884 261 88 LYS HG2 H 1.492 0.020 2 885 261 88 LYS HG3 H 1.284 0.020 2 886 261 88 LYS HD2 H 1.732 0.020 2 887 261 88 LYS HD3 H 1.582 0.020 2 888 261 88 LYS HE2 H 2.962 0.020 2 889 261 88 LYS HE3 H 2.934 0.020 2 890 261 88 LYS CA C 55.651 0.400 1 891 261 88 LYS CB C 33.944 0.400 1 892 261 88 LYS CG C 24.797 0.400 1 893 261 88 LYS CD C 29.507 0.400 1 894 261 88 LYS CE C 42.188 0.400 1 895 261 88 LYS N N 126.477 0.400 1 896 262 89 ILE H H 8.372 0.020 1 897 262 89 ILE HA H 5.035 0.020 1 898 262 89 ILE HB H 1.223 0.020 1 899 262 89 ILE HG12 H 1.279 0.020 1 900 262 89 ILE HG13 H 0.108 0.020 1 901 262 89 ILE HG2 H 0.514 0.020 1 902 262 89 ILE HD1 H 0.356 0.020 1 903 262 89 ILE CA C 60.975 0.400 1 904 262 89 ILE CB C 40.877 0.400 1 905 262 89 ILE CG1 C 27.040 0.400 1 906 262 89 ILE CG2 C 19.881 0.400 1 907 262 89 ILE CD1 C 15.533 0.400 1 908 262 89 ILE N N 125.970 0.400 1 909 263 90 GLU H H 8.886 0.020 1 910 263 90 GLU HA H 4.577 0.020 1 911 263 90 GLU HB2 H 2.171 0.020 2 912 263 90 GLU HB3 H 1.813 0.020 2 913 263 90 GLU HG2 H 2.244 0.020 2 914 263 90 GLU HG3 H 2.148 0.020 2 915 263 90 GLU CA C 53.751 0.400 1 916 263 90 GLU CB C 35.041 0.400 1 917 263 90 GLU CG C 36.628 0.400 1 918 263 90 GLU N N 125.621 0.400 1 919 264 91 TYR H H 8.927 0.020 1 920 264 91 TYR HA H 4.692 0.020 1 921 264 91 TYR HB2 H 3.133 0.020 1 922 264 91 TYR HB3 H 2.884 0.020 1 923 264 91 TYR HD1 H 7.251 0.020 1 924 264 91 TYR HD2 H 7.251 0.020 1 925 264 91 TYR HE1 H 6.858 0.020 1 926 264 91 TYR HE2 H 6.858 0.020 1 927 264 91 TYR CA C 61.128 0.400 1 928 264 91 TYR CB C 39.086 0.400 1 929 264 91 TYR CD1 C 133.865 0.400 1 930 264 91 TYR CE1 C 118.327 0.400 1 931 264 91 TYR N N 120.965 0.400 1 932 265 92 ALA H H 8.844 0.020 1 933 265 92 ALA HA H 5.866 0.020 1 934 265 92 ALA HB H 1.332 0.020 1 935 265 92 ALA CA C 50.367 0.400 1 936 265 92 ALA CB C 21.002 0.400 1 937 265 92 ALA N N 126.368 0.400 1 938 266 93 LYS H H 9.917 0.020 1 939 266 93 LYS HA H 4.374 0.020 1 940 266 93 LYS HB2 H 1.921 0.020 2 941 266 93 LYS HB3 H 1.866 0.020 2 942 266 93 LYS HG2 H 1.513 0.020 2 943 266 93 LYS HG3 H 1.433 0.020 2 944 266 93 LYS HD2 H 1.654 0.020 2 945 266 93 LYS HD3 H 1.609 0.020 2 946 266 93 LYS HE2 H 2.871 0.020 2 947 266 93 LYS HE3 H 2.889 0.020 2 948 266 93 LYS CA C 59.391 0.400 1 949 266 93 LYS CB C 31.374 0.400 1 950 266 93 LYS CG C 25.426 0.400 1 951 266 93 LYS CD C 29.068 0.400 1 952 266 93 LYS CE C 42.284 0.400 1 953 266 93 LYS N N 121.936 0.400 1 954 267 94 PRO HA H 4.514 0.020 1 955 267 94 PRO HB2 H 1.918 0.020 2 956 267 94 PRO HB3 H 1.665 0.020 2 957 267 94 PRO HG2 H 2.045 0.020 2 958 267 94 PRO HG3 H 1.825 0.020 2 959 267 94 PRO HD2 H 3.993 0.020 2 960 267 94 PRO HD3 H 3.599 0.020 2 961 267 94 PRO CA C 64.209 0.400 1 962 267 94 PRO CB C 32.879 0.400 1 963 267 94 PRO CG C 28.591 0.400 1 964 267 94 PRO CD C 50.567 0.400 1 965 268 95 THR H H 8.396 0.020 1 966 268 95 THR HA H 4.543 0.020 1 967 268 95 THR HB H 4.452 0.020 1 968 268 95 THR HG2 H 1.346 0.020 1 969 268 95 THR CA C 62.104 0.400 1 970 268 95 THR CB C 69.481 0.400 1 971 268 95 THR CG2 C 21.950 0.400 1 972 268 95 THR N N 109.742 0.400 1 973 269 96 ARG H H 7.304 0.020 1 974 269 96 ARG HA H 4.152 0.020 1 975 269 96 ARG HB2 H 2.468 0.020 1 976 269 96 ARG HB3 H 1.464 0.020 1 977 269 96 ARG HG2 H 1.657 0.020 2 978 269 96 ARG HG3 H 1.657 0.020 2 979 269 96 ARG HD2 H 3.210 0.020 2 980 269 96 ARG HD3 H 3.210 0.020 2 981 269 96 ARG HE H 8.385 0.020 1 982 269 96 ARG CA C 55.736 0.400 1 983 269 96 ARG CB C 32.096 0.400 1 984 269 96 ARG CG C 26.823 0.400 1 985 269 96 ARG CD C 43.413 0.400 1 986 269 96 ARG N N 119.096 0.400 1 987 269 96 ARG NE N 85.759 0.400 1 988 270 97 LEU H H 8.737 0.020 1 989 270 97 LEU HA H 4.641 0.020 1 990 270 97 LEU HB2 H 1.683 0.020 1 991 270 97 LEU HB3 H 0.898 0.020 1 992 270 97 LEU HG H 1.533 0.020 1 993 270 97 LEU HD1 H 0.141 0.020 2 994 270 97 LEU HD2 H 0.601 0.020 2 995 270 97 LEU CA C 53.102 0.400 1 996 270 97 LEU CB C 42.173 0.400 1 997 270 97 LEU CG C 26.818 0.400 1 998 270 97 LEU CD1 C 21.847 0.400 1 999 270 97 LEU CD2 C 26.165 0.400 1 1000 270 97 LEU N N 124.726 0.400 1 1001 271 98 ASN H H 10.335 0.020 1 1002 271 98 ASN HA H 4.772 0.020 1 1003 271 98 ASN HB2 H 3.051 0.020 2 1004 271 98 ASN HB3 H 2.531 0.020 2 1005 271 98 ASN HD21 H 8.456 0.020 1 1006 271 98 ASN HD22 H 6.931 0.020 1 1007 271 98 ASN CA C 52.989 0.400 1 1008 271 98 ASN CB C 39.669 0.400 1 1009 271 98 ASN N N 123.361 0.400 1 1010 271 98 ASN ND2 N 116.928 0.400 1 1011 272 99 VAL H H 7.872 0.020 1 1012 272 99 VAL HA H 4.074 0.020 1 1013 272 99 VAL HB H 1.643 0.020 1 1014 272 99 VAL HG1 H 0.805 0.020 2 1015 272 99 VAL HG2 H 0.737 0.020 2 1016 272 99 VAL CA C 62.085 0.400 1 1017 272 99 VAL CB C 35.474 0.400 1 1018 272 99 VAL CG1 C 22.835 0.400 1 1019 272 99 VAL CG2 C 21.964 0.400 1 1020 272 99 VAL N N 123.211 0.400 1 1021 273 100 PHE H H 9.068 0.020 1 1022 273 100 PHE HA H 4.698 0.020 1 1023 273 100 PHE HB2 H 3.225 0.020 1 1024 273 100 PHE HB3 H 2.809 0.020 1 1025 273 100 PHE HD1 H 7.155 0.020 1 1026 273 100 PHE HD2 H 7.155 0.020 1 1027 273 100 PHE HE1 H 7.306 0.020 1 1028 273 100 PHE HE2 H 7.306 0.020 1 1029 273 100 PHE HZ H 7.232 0.020 1 1030 273 100 PHE CA C 57.543 0.400 1 1031 273 100 PHE CB C 40.944 0.400 1 1032 273 100 PHE CD2 C 131.982 0.400 1 1033 273 100 PHE CE2 C 131.361 0.400 1 1034 273 100 PHE CZ C 131.788 0.400 1 1035 273 100 PHE N N 124.981 0.400 1 1036 274 101 LYS H H 7.373 0.020 1 1037 274 101 LYS HA H 4.297 0.020 1 1038 274 101 LYS HB2 H 1.751 0.020 2 1039 274 101 LYS HB3 H 1.594 0.020 2 1040 274 101 LYS HG2 H 1.114 0.020 2 1041 274 101 LYS HG3 H 1.063 0.020 2 1042 274 101 LYS HD2 H 1.630 0.020 2 1043 274 101 LYS HD3 H 1.630 0.020 2 1044 274 101 LYS HE2 H 3.114 0.020 2 1045 274 101 LYS HE3 H 3.021 0.020 2 1046 274 101 LYS CA C 55.108 0.400 1 1047 274 101 LYS CB C 34.620 0.400 1 1048 274 101 LYS CG C 23.413 0.400 1 1049 274 101 LYS CD C 29.094 0.400 1 1050 274 101 LYS CE C 42.611 0.400 1 1051 274 101 LYS N N 118.456 0.400 1 1052 275 102 ASN H H 7.799 0.020 1 1053 275 102 ASN HA H 5.171 0.020 1 1054 275 102 ASN HB2 H 1.624 0.020 2 1055 275 102 ASN HB3 H -0.271 0.020 2 1056 275 102 ASN HD21 H 6.097 0.020 1 1057 275 102 ASN HD22 H 5.548 0.020 1 1058 275 102 ASN CA C 50.588 0.400 1 1059 275 102 ASN CB C 35.692 0.400 1 1060 275 102 ASN N N 122.409 0.400 1 1061 275 102 ASN ND2 N 106.412 0.400 1 1062 276 103 ASP H H 10.337 0.020 1 1063 276 103 ASP HA H 4.800 0.020 1 1064 276 103 ASP HB2 H 3.283 0.020 1 1065 276 103 ASP HB3 H 2.858 0.020 1 1066 276 103 ASP CA C 53.389 0.400 1 1067 276 103 ASP CB C 40.730 0.400 1 1068 276 103 ASP N N 129.301 0.400 1 1069 277 104 GLN H H 8.290 0.020 1 1070 277 104 GLN HA H 4.467 0.020 1 1071 277 104 GLN HB2 H 2.314 0.020 2 1072 277 104 GLN HB3 H 2.208 0.020 2 1073 277 104 GLN HG2 H 2.596 0.020 1 1074 277 104 GLN HG3 H 2.556 0.020 1 1075 277 104 GLN HE21 H 7.644 0.020 1 1076 277 104 GLN HE22 H 6.886 0.020 1 1077 277 104 GLN CA C 59.219 0.400 1 1078 277 104 GLN CB C 28.506 0.400 1 1079 277 104 GLN CG C 33.698 0.400 1 1080 277 104 GLN N N 113.980 0.400 1 1081 277 104 GLN NE2 N 112.481 0.400 1 1082 278 105 ASP H H 8.837 0.020 1 1083 278 105 ASP HA H 5.259 0.020 1 1084 278 105 ASP HB2 H 3.082 0.020 1 1085 278 105 ASP HB3 H 2.963 0.020 1 1086 278 105 ASP CA C 56.030 0.400 1 1087 278 105 ASP CB C 43.814 0.400 1 1088 278 105 ASP N N 119.322 0.400 1 1089 279 106 THR H H 8.488 0.020 1 1090 279 106 THR HA H 5.636 0.020 1 1091 279 106 THR HB H 4.534 0.020 1 1092 279 106 THR HG2 H 1.541 0.020 1 1093 279 106 THR CA C 58.354 0.400 1 1094 279 106 THR CB C 73.211 0.400 1 1095 279 106 THR CG2 C 21.996 0.400 1 1096 279 106 THR N N 110.464 0.400 1 1097 280 107 TRP H H 9.365 0.020 1 1098 280 107 TRP HA H 4.679 0.020 1 1099 280 107 TRP HB2 H 3.128 0.020 1 1100 280 107 TRP HB3 H 2.674 0.020 1 1101 280 107 TRP HD1 H 7.089 0.020 1 1102 280 107 TRP HE1 H 9.471 0.020 1 1103 280 107 TRP HE3 H 8.238 0.020 1 1104 280 107 TRP HZ2 H 7.295 0.020 1 1105 280 107 TRP HZ3 H 6.705 0.020 1 1106 280 107 TRP HH2 H 7.209 0.020 1 1107 280 107 TRP CA C 57.599 0.400 1 1108 280 107 TRP CB C 32.704 0.400 1 1109 280 107 TRP CD1 C 123.917 0.400 1 1110 280 107 TRP CE3 C 121.957 0.400 1 1111 280 107 TRP CZ2 C 113.782 0.400 1 1112 280 107 TRP CZ3 C 120.598 0.400 1 1113 280 107 TRP CH2 C 129.290 0.400 1 1114 280 107 TRP N N 122.424 0.400 1 1115 280 107 TRP NE1 N 129.697 0.400 1 1116 281 108 ASP H H 8.468 0.020 1 1117 281 108 ASP HA H 5.213 0.020 1 1118 281 108 ASP HB2 H 2.982 0.020 2 1119 281 108 ASP HB3 H 1.949 0.020 2 1120 281 108 ASP CA C 52.913 0.400 1 1121 281 108 ASP CB C 42.542 0.400 1 1122 281 108 ASP N N 127.623 0.400 1 1123 282 109 TYR H H 8.921 0.020 1 1124 282 109 TYR HA H 4.235 0.020 1 1125 282 109 TYR HB2 H 3.369 0.020 1 1126 282 109 TYR HB3 H 2.925 0.020 1 1127 282 109 TYR HD1 H 6.668 0.020 1 1128 282 109 TYR HD2 H 6.668 0.020 1 1129 282 109 TYR CA C 61.114 0.400 1 1130 282 109 TYR CB C 37.846 0.400 1 1131 282 109 TYR CD2 C 132.595 0.400 1 1132 282 109 TYR N N 124.872 0.400 1 1133 283 110 THR H H 9.324 0.020 1 1134 283 110 THR HA H 4.585 0.020 1 1135 283 110 THR HB H 4.435 0.020 1 1136 283 110 THR HG2 H 1.359 0.020 1 1137 283 110 THR CA C 62.212 0.400 1 1138 283 110 THR CB C 70.226 0.400 1 1139 283 110 THR CG2 C 21.838 0.400 1 1140 283 110 THR N N 112.222 0.400 1 1141 284 111 ASN H H 7.256 0.020 1 1142 284 111 ASN HA H 5.134 0.020 1 1143 284 111 ASN HB2 H 2.840 0.020 1 1144 284 111 ASN HB3 H 2.518 0.020 1 1145 284 111 ASN HD21 H 7.635 0.020 2 1146 284 111 ASN HD22 H 6.938 0.020 2 1147 284 111 ASN CA C 50.231 0.400 1 1148 284 111 ASN CB C 39.100 0.400 1 1149 284 111 ASN N N 118.923 0.400 1 1150 284 111 ASN ND2 N 111.478 0.400 1 1151 285 112 PRO HA H 4.407 0.020 1 1152 285 112 PRO HB2 H 2.356 0.020 1 1153 285 112 PRO HB3 H 2.028 0.020 1 1154 285 112 PRO HG2 H 2.067 0.020 1 1155 285 112 PRO HG3 H 1.962 0.020 1 1156 285 112 PRO HD2 H 3.842 0.020 1 1157 285 112 PRO HD3 H 3.705 0.020 1 1158 285 112 PRO CA C 63.752 0.400 1 1159 285 112 PRO CB C 32.175 0.400 1 1160 285 112 PRO CG C 26.831 0.400 1 1161 285 112 PRO CD C 50.660 0.400 1 1162 286 113 ASN H H 8.128 0.020 1 1163 286 113 ASN HA H 4.736 0.020 1 1164 286 113 ASN HB2 H 2.915 0.020 1 1165 286 113 ASN HB3 H 2.761 0.020 1 1166 286 113 ASN HD21 H 7.606 0.020 1 1167 286 113 ASN HD22 H 6.978 0.020 1 1168 286 113 ASN CA C 53.794 0.400 1 1169 286 113 ASN CB C 38.614 0.400 1 1170 286 113 ASN N N 116.723 0.400 1 1171 286 113 ASN ND2 N 113.251 0.400 1 1172 287 114 LEU H H 7.375 0.020 1 1173 287 114 LEU HA H 4.256 0.020 1 1174 287 114 LEU HB2 H 1.533 0.020 1 1175 287 114 LEU HB3 H 1.379 0.020 1 1176 287 114 LEU HG H 1.461 0.020 1 1177 287 114 LEU HD1 H 0.743 0.020 2 1178 287 114 LEU HD2 H 0.713 0.020 2 1179 287 114 LEU CA C 55.557 0.400 1 1180 287 114 LEU CB C 42.114 0.400 1 1181 287 114 LEU CG C 26.579 0.400 1 1182 287 114 LEU CD1 C 25.391 0.400 1 1183 287 114 LEU CD2 C 23.255 0.400 1 1184 287 114 LEU N N 120.632 0.400 1 1185 288 115 SER H H 8.115 0.020 1 1186 288 115 SER HA H 4.508 0.020 1 1187 288 115 SER HB2 H 3.957 0.020 2 1188 288 115 SER HB3 H 3.957 0.020 2 1189 288 115 SER CA C 58.560 0.400 1 1190 288 115 SER CB C 64.081 0.400 1 1191 288 115 SER N N 115.980 0.400 1 1192 289 116 GLY H H 8.298 0.020 1 1193 289 116 GLY HA2 H 4.100 0.020 2 1194 289 116 GLY HA3 H 4.031 0.020 2 1195 289 116 GLY CA C 45.642 0.400 1 1196 289 116 GLY N N 110.318 0.400 1 1197 290 117 GLN H H 8.221 0.020 1 1198 290 117 GLN HA H 4.460 0.020 1 1199 290 117 GLN HB2 H 2.226 0.020 2 1200 290 117 GLN HB3 H 2.024 0.020 2 1201 290 117 GLN HG2 H 2.405 0.020 2 1202 290 117 GLN HG3 H 2.405 0.020 2 1203 290 117 GLN HE21 H 7.549 0.020 2 1204 290 117 GLN HE22 H 6.846 0.020 2 1205 290 117 GLN CA C 55.762 0.400 1 1206 290 117 GLN CB C 29.965 0.400 1 1207 290 117 GLN CG C 34.009 0.400 1 1208 290 117 GLN N N 119.816 0.400 1 1209 290 117 GLN NE2 N 112.322 0.400 1 1210 291 118 GLY H H 8.085 0.020 1 1211 291 118 GLY HA2 H 3.802 0.020 2 1212 291 118 GLY HA3 H 3.802 0.020 2 1213 291 118 GLY CA C 46.288 0.400 1 1214 291 118 GLY N N 116.493 0.400 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*AP*CP*AP*CP*AP*C)-3')" _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 1 1 A H1' H 6.136 0.001 1 2 1 1 A H2 H 8.140 0.003 1 3 1 1 A H2' H 4.966 0.002 1 4 1 1 A H3' H 4.855 0.026 1 5 1 1 A H4' H 4.507 0.003 1 6 1 1 A H5' H 3.947 0.005 1 7 1 1 A H8 H 8.391 0.001 1 8 1 1 A C1' C 90.573 0.000 1 9 1 1 A C2 C 155.232 0.000 1 10 1 1 A C2' C 75.721 0.000 1 11 1 1 A C3' C 75.808 0.000 1 12 1 1 A C4' C 87.595 0.000 1 13 1 1 A C8 C 143.123 0.000 1 14 2 2 C H1' H 6.089 0.003 1 15 2 2 C H2' H 4.486 0.006 1 16 2 2 C H3' H 4.797 0.006 1 17 2 2 C H4' H 4.426 0.004 1 18 2 2 C H5 H 5.985 0.004 1 19 2 2 C H5' H 4.319 0.000 1 20 2 2 C H5'' H 4.291 0.000 1 21 2 2 C H6 H 7.847 0.002 1 22 2 2 C C1' C 90.562 0.000 1 23 2 2 C C2' C 75.940 0.000 1 24 2 2 C C3' C 75.694 0.000 1 25 2 2 C C4' C 85.360 0.000 1 26 2 2 C C5 C 99.502 0.000 1 27 2 2 C C6 C 143.822 0.000 1 28 3 3 A H1' H 5.819 0.002 1 29 3 3 A H2 H 8.258 0.004 1 30 3 3 A H2' H 4.666 0.014 1 31 3 3 A H3' H 4.642 0.003 1 32 3 3 A H4' H 4.372 0.009 1 33 3 3 A H8 H 8.289 0.009 1 34 3 3 A C1' C 91.974 0.000 1 35 3 3 A C2 C 155.570 0.000 1 36 3 3 A C2' C 74.546 0.000 1 37 3 3 A C3' C 74.003 0.000 1 38 3 3 A C4' C 84.366 0.000 1 39 3 3 A C8 C 141.383 0.000 1 40 4 4 C H1' H 5.739 0.005 1 41 4 4 C H2' H 4.095 0.004 1 42 4 4 C H3' H 4.236 0.001 1 43 4 4 C H4' H 4.255 0.005 1 44 4 4 C H5 H 5.690 0.004 1 45 4 4 C H5' H 4.250 0.000 1 46 4 4 C H5'' H 4.123 0.000 1 47 4 4 C H6 H 7.667 0.002 1 48 4 4 C C1' C 92.715 0.000 1 49 4 4 C C2' C 77.460 0.000 1 50 4 4 C C3' C 70.722 0.000 1 51 4 4 C C4' C 84.330 0.000 1 52 4 4 C C5 C 97.994 0.000 1 53 4 4 C C6 C 142.389 0.000 1 54 5 5 A H1' H 5.679 0.007 1 55 5 5 A H2 H 8.291 0.003 1 56 5 5 A H2' H 4.546 0.010 1 57 5 5 A H3' H 4.255 0.001 1 58 5 5 A H4' H 4.420 0.000 1 59 5 5 A H8 H 8.411 0.003 1 60 5 5 A C1' C 92.718 0.000 1 61 5 5 A C2 C 155.288 0.000 1 62 5 5 A C2' C 75.855 0.000 1 63 5 5 A C3' C 76.566 0.000 1 64 5 5 A C4' C 84.100 0.000 1 65 5 5 A C8 C 143.122 0.000 1 66 6 6 C H1' H 5.821 0.007 1 67 6 6 C H2' H 4.405 0.006 1 68 6 6 C H3' H 4.849 0.012 1 69 6 6 C H4' H 4.428 0.003 1 70 6 6 C H5 H 5.745 0.008 1 71 6 6 C H6 H 7.684 0.007 1 72 6 6 C C1' C 92.082 0.000 1 73 6 6 C C2' C 76.198 0.000 1 74 6 6 C C3' C 77.628 0.000 1 75 6 6 C C4' C 84.381 0.000 1 76 6 6 C C5 C 98.104 0.000 1 77 6 6 C C6 C 142.455 0.000 1 stop_ save_