data_25060 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment for cold shock domain 1 of Drosophila Upstream of N-ras bound with RNA ; _BMRB_accession_number 25060 _BMRB_flat_file_name bmr25060.str _Entry_type original _Submission_date 2014-07-01 _Accession_date 2014-07-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Iren . . 2 Hennig Janosch . . 3 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 199 "13C chemical shifts" 179 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25059 dCSD1 stop_ _Original_release_date 2014-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the assembly of the Sxl-Unr translation regulatory complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hennig Janosch . . 2 Militti Cristina . . 3 Popowicz Grzegorz . . 4 Wang Iren . . 5 Sonntag Miriam . . 6 Geerlof Arie . . 7 Gabel Frank . . 8 Gebauer Fatima . . 9 Sattler Michael . . stop_ _Journal_abbreviation Nature _Journal_volume 515 _Journal_issue 7526 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 287 _Page_last 290 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dCDS1-RNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cold shock domain 1 of drosophila UNR' $dCSD1 RNA $RNA-11mer 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_dCSD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cold_shock_domain_1_of_upstream_of_N-ras _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GAMATRETGIIEKLLHSYGF IQCCERQARLFFHFSQFSGN IDHLKIGDPVEFEMTYDRRT GKPIASQVSKIA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 181 GLY 2 182 ALA 3 183 MET 4 184 ALA 5 185 THR 6 186 ARG 7 187 GLU 8 188 THR 9 189 GLY 10 190 ILE 11 191 ILE 12 192 GLU 13 193 LYS 14 194 LEU 15 195 LEU 16 196 HIS 17 197 SER 18 198 TYR 19 199 GLY 20 200 PHE 21 201 ILE 22 202 GLN 23 203 CYS 24 204 CYS 25 205 GLU 26 206 ARG 27 207 GLN 28 208 ALA 29 209 ARG 30 210 LEU 31 211 PHE 32 212 PHE 33 213 HIS 34 214 PHE 35 215 SER 36 216 GLN 37 217 PHE 38 218 SER 39 219 GLY 40 220 ASN 41 221 ILE 42 222 ASP 43 223 HIS 44 224 LEU 45 225 LYS 46 226 ILE 47 227 GLY 48 228 ASP 49 229 PRO 50 230 VAL 51 231 GLU 52 232 PHE 53 233 GLU 54 234 MET 55 235 THR 56 236 TYR 57 237 ASP 58 238 ARG 59 239 ARG 60 240 THR 61 241 GLY 62 242 LYS 63 243 PRO 64 244 ILE 65 245 ALA 66 246 SER 67 247 GLN 68 248 VAL 69 249 SER 70 250 LYS 71 251 ILE 72 252 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 25059 dCSD1 100.00 72 100.00 100.00 1.32e-45 BMRB 25078 UNR 100.00 72 100.00 100.00 1.32e-45 PDB 4QQB "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" 100.00 72 100.00 100.00 1.32e-45 stop_ save_ save_RNA-11mer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA-11mer _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence GAGCACGUGAA loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 G 4 C 5 A 6 C 7 G 8 U 9 G 10 A 11 A 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 $dCSD1 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $dCSD1 'recombinant technology' . Escherichia coli . pETtrx-1a 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 $dCSD1 0.5 mM '[U-99% 13C; U-99% 15N]' $RNA-11mer 0.6 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 10 mM 'natural abundance' D2O 10 % '[U-99% 2H]' H2O 90 % '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 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6 . pH pressure 1 . atm 'ionic strength' 0.05 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'cold shock domain 1 of drosophila UNR' _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 1 181 1 GLY HA2 H 3.877 0.015 1 2 181 1 GLY HA3 H 3.877 0.015 1 3 181 1 GLY CA C 43.428 0.150 1 4 182 2 ALA H H 8.642 0.015 1 5 182 2 ALA HA H 4.377 0.015 1 6 182 2 ALA HB H 1.424 0.015 1 7 182 2 ALA CA C 52.598 0.150 1 8 182 2 ALA CB C 19.253 0.150 1 9 182 2 ALA N N 123.750 0.150 1 10 183 3 MET H H 8.488 0.015 1 11 183 3 MET HA H 4.502 0.015 1 12 183 3 MET HB2 H 2.075 0.015 1 13 183 3 MET HB3 H 2.075 0.015 1 14 183 3 MET CA C 55.276 0.150 1 15 183 3 MET CB C 33.013 0.150 1 16 183 3 MET N N 119.788 0.150 1 17 184 4 ALA H H 8.405 0.015 1 18 184 4 ALA HA H 4.436 0.015 1 19 184 4 ALA HB H 1.407 0.015 1 20 184 4 ALA N N 125.844 0.150 1 21 185 5 THR H H 8.331 0.015 1 22 185 5 THR HA H 4.303 0.015 1 23 185 5 THR HB H 4.211 0.015 1 24 185 5 THR C C 174.088 0.150 1 25 185 5 THR CA C 61.966 0.150 1 26 185 5 THR CB C 69.820 0.150 1 27 185 5 THR N N 115.094 0.150 1 28 186 6 ARG H H 8.215 0.015 1 29 186 6 ARG HA H 4.621 0.015 1 30 186 6 ARG HB2 H 1.576 0.015 2 31 186 6 ARG HB3 H 1.646 0.015 2 32 186 6 ARG C C 175.401 0.150 1 33 186 6 ARG CA C 55.407 0.150 1 34 186 6 ARG CB C 30.799 0.150 1 35 186 6 ARG N N 124.284 0.150 1 36 187 7 GLU H H 8.591 0.015 1 37 187 7 GLU HA H 4.702 0.015 1 38 187 7 GLU HB2 H 1.504 0.015 2 39 187 7 GLU HB3 H 1.781 0.015 2 40 187 7 GLU C C 173.572 0.150 1 41 187 7 GLU CA C 54.459 0.150 1 42 187 7 GLU CB C 33.688 0.150 1 43 187 7 GLU N N 121.685 0.150 1 44 188 8 THR H H 8.168 0.015 1 45 188 8 THR HA H 5.531 0.015 1 46 188 8 THR HB H 4.373 0.015 1 47 188 8 THR C C 176.567 0.150 1 48 188 8 THR CA C 60.486 0.150 1 49 188 8 THR CB C 73.048 0.150 1 50 188 8 THR N N 106.523 0.150 1 51 189 9 GLY H H 9.229 0.015 1 52 189 9 GLY HA2 H 3.918 0.015 2 53 189 9 GLY HA3 H 5.335 0.015 2 54 189 9 GLY C C 171.284 0.150 1 55 189 9 GLY CA C 46.632 0.150 1 56 189 9 GLY N N 109.517 0.150 1 57 190 10 ILE H H 8.821 0.015 1 58 190 10 ILE HA H 5.167 0.015 1 59 190 10 ILE HB H 1.667 0.015 1 60 190 10 ILE C C 176.549 0.150 1 61 190 10 ILE CA C 58.559 0.150 1 62 190 10 ILE CB C 41.985 0.150 1 63 190 10 ILE N N 118.587 0.150 1 64 191 11 ILE H H 8.635 0.015 1 65 191 11 ILE HA H 3.969 0.015 1 66 191 11 ILE HB H 2.469 0.015 1 67 191 11 ILE C C 175.937 0.150 1 68 191 11 ILE CA C 60.539 0.150 1 69 191 11 ILE CB C 35.267 0.150 1 70 191 11 ILE N N 124.036 0.150 1 71 192 12 GLU H H 9.378 0.015 1 72 192 12 GLU HA H 4.555 0.015 1 73 192 12 GLU HB2 H 2.011 0.015 1 74 192 12 GLU HB3 H 2.011 0.015 1 75 192 12 GLU C C 175.025 0.150 1 76 192 12 GLU CA C 57.400 0.150 1 77 192 12 GLU CB C 32.775 0.150 1 78 192 12 GLU N N 132.251 0.150 1 79 193 13 LYS H H 7.648 0.015 1 80 193 13 LYS C C 174.031 0.150 1 81 193 13 LYS CA C 56.355 0.150 1 82 193 13 LYS CB C 37.492 0.150 1 83 193 13 LYS N N 116.555 0.150 1 84 194 14 LEU H H 8.506 0.015 1 85 194 14 LEU HA H 4.585 0.015 1 86 194 14 LEU HB2 H 1.495 0.015 2 87 194 14 LEU HB3 H 1.717 0.015 2 88 194 14 LEU C C 174.408 0.150 1 89 194 14 LEU CA C 54.961 0.150 1 90 194 14 LEU CB C 44.699 0.150 1 91 194 14 LEU N N 124.177 0.150 1 92 195 15 LEU H H 8.499 0.015 1 93 195 15 LEU CA C 53.256 0.150 1 94 195 15 LEU CB C 38.087 0.150 1 95 195 15 LEU N N 127.710 0.150 1 96 198 18 TYR C C 171.008 0.150 1 97 199 19 GLY H H 7.602 0.015 1 98 199 19 GLY HA2 H 3.551 0.015 2 99 199 19 GLY HA3 H 3.763 0.015 2 100 199 19 GLY C C 169.270 0.150 1 101 199 19 GLY CA C 45.315 0.150 1 102 199 19 GLY N N 104.903 0.150 1 103 200 20 PHE H H 8.528 0.015 1 104 200 20 PHE HA H 5.635 0.015 1 105 200 20 PHE HB2 H 2.625 0.015 2 106 200 20 PHE C C 175.457 0.150 1 107 200 20 PHE CA C 56.856 0.150 1 108 200 20 PHE CB C 44.081 0.150 1 109 200 20 PHE N N 112.002 0.150 1 110 201 21 ILE H H 9.703 0.015 1 111 201 21 ILE HA H 4.419 0.015 1 112 201 21 ILE HB H 1.169 0.015 1 113 201 21 ILE C C 175.340 0.150 1 114 201 21 ILE CA C 59.931 0.150 1 115 201 21 ILE CB C 43.091 0.150 1 116 201 21 ILE N N 124.572 0.150 1 117 202 22 GLN H H 9.292 0.015 1 118 202 22 GLN HA H 4.817 0.015 1 119 202 22 GLN HB2 H 2.037 0.015 2 120 202 22 GLN HE21 H 6.771 0.015 2 121 202 22 GLN HE22 H 7.848 0.015 2 122 202 22 GLN C C 176.002 0.150 1 123 202 22 GLN CA C 54.898 0.150 1 124 202 22 GLN CB C 29.420 0.150 1 125 202 22 GLN N N 126.506 0.150 1 126 202 22 GLN NE2 N 111.348 0.150 1 127 203 23 CYS H H 8.775 0.015 1 128 203 23 CYS C C 175.236 0.150 1 129 203 23 CYS CA C 62.577 0.150 1 130 203 23 CYS CB C 28.706 0.150 1 131 203 23 CYS N N 127.232 0.150 1 132 204 24 CYS H H 8.882 0.015 1 133 204 24 CYS HA H 4.627 0.015 1 134 204 24 CYS HB2 H 2.899 0.015 2 135 204 24 CYS HB3 H 3.263 0.015 2 136 204 24 CYS C C 176.117 0.150 1 137 204 24 CYS CA C 61.027 0.150 1 138 204 24 CYS CB C 28.591 0.150 1 139 204 24 CYS N N 118.926 0.150 1 140 205 25 GLU H H 9.190 0.015 1 141 205 25 GLU HA H 4.472 0.015 1 142 205 25 GLU HB2 H 2.145 0.015 2 143 205 25 GLU HB3 H 2.379 0.015 2 144 205 25 GLU C C 175.105 0.150 1 145 205 25 GLU CA C 57.198 0.150 1 146 205 25 GLU CB C 29.614 0.150 1 147 205 25 GLU N N 118.856 0.150 1 148 206 26 ARG H H 7.667 0.015 1 149 206 26 ARG HA H 4.554 0.015 1 150 206 26 ARG HB3 H 2.064 0.015 2 151 206 26 ARG C C 174.042 0.150 1 152 206 26 ARG CA C 53.915 0.150 1 153 206 26 ARG CB C 31.463 0.150 1 154 206 26 ARG N N 114.766 0.150 1 155 207 27 GLN H H 8.558 0.015 1 156 207 27 GLN HA H 4.653 0.015 1 157 207 27 GLN HB2 H 2.025 0.015 2 158 207 27 GLN HB3 H 2.097 0.015 2 159 207 27 GLN HE21 H 6.862 0.015 2 160 207 27 GLN HE22 H 7.605 0.015 2 161 207 27 GLN C C 174.976 0.150 1 162 207 27 GLN CA C 55.155 0.150 1 163 207 27 GLN CB C 27.422 0.150 1 164 207 27 GLN N N 120.114 0.150 1 165 207 27 GLN NE2 N 112.636 0.150 1 166 208 28 ALA H H 8.224 0.015 1 167 208 28 ALA HA H 4.537 0.015 1 168 208 28 ALA HB H 1.411 0.015 1 169 208 28 ALA C C 174.073 0.150 1 170 208 28 ALA CA C 52.526 0.150 1 171 208 28 ALA CB C 21.404 0.150 1 172 208 28 ALA N N 125.426 0.150 1 173 209 29 ARG H H 8.503 0.015 1 174 209 29 ARG C C 175.854 0.150 1 175 209 29 ARG CA C 54.678 0.150 1 176 209 29 ARG CB C 32.586 0.150 1 177 209 29 ARG N N 123.250 0.150 1 178 210 30 LEU H H 9.296 0.015 1 179 210 30 LEU N N 125.072 0.150 1 180 211 31 PHE H H 8.756 0.015 1 181 211 31 PHE C C 173.803 0.150 1 182 211 31 PHE CA C 57.515 0.150 1 183 211 31 PHE N N 126.185 0.150 1 184 212 32 PHE H H 7.624 0.015 1 185 212 32 PHE HA H 4.836 0.015 1 186 212 32 PHE C C 170.599 0.150 1 187 212 32 PHE CA C 55.717 0.150 1 188 212 32 PHE CB C 43.515 0.150 1 189 212 32 PHE N N 122.861 0.150 1 190 213 33 HIS H H 9.361 0.015 1 191 213 33 HIS CA C 56.533 0.150 1 192 213 33 HIS CB C 32.497 0.150 1 193 213 33 HIS N N 122.104 0.150 1 194 214 34 PHE H H 7.730 0.015 1 195 214 34 PHE N N 125.735 0.150 1 196 215 35 SER HA H 4.468 0.015 1 197 215 35 SER C C 176.226 0.150 1 198 216 36 GLN H H 8.335 0.015 1 199 216 36 GLN HA H 4.476 0.015 1 200 216 36 GLN HB2 H 2.564 0.015 2 201 216 36 GLN HB3 H 2.902 0.015 2 202 216 36 GLN HE21 H 7.054 0.015 2 203 216 36 GLN HE22 H 7.943 0.015 2 204 216 36 GLN C C 174.476 0.150 1 205 216 36 GLN CA C 55.142 0.150 1 206 216 36 GLN CB C 28.669 0.150 1 207 216 36 GLN N N 119.975 0.150 1 208 216 36 GLN NE2 N 115.107 0.150 1 209 217 37 PHE H H 7.984 0.015 1 210 217 37 PHE HA H 5.165 0.015 1 211 217 37 PHE HB2 H 2.663 0.015 2 212 217 37 PHE HB3 H 3.282 0.015 2 213 217 37 PHE C C 174.567 0.150 1 214 217 37 PHE CA C 56.975 0.150 1 215 217 37 PHE CB C 41.075 0.150 1 216 217 37 PHE N N 121.910 0.150 1 217 218 38 SER H H 8.252 0.015 1 218 218 38 SER HA H 4.422 0.015 1 219 218 38 SER HB2 H 3.610 0.015 1 220 218 38 SER HB3 H 3.610 0.015 1 221 218 38 SER C C 172.654 0.150 1 222 218 38 SER CA C 57.323 0.150 1 223 218 38 SER CB C 63.248 0.150 1 224 218 38 SER N N 124.302 0.150 1 225 219 39 GLY H H 7.319 0.015 1 226 219 39 GLY CA C 43.905 0.150 1 227 219 39 GLY N N 111.277 0.150 1 228 220 40 ASN H H 8.531 0.015 1 229 220 40 ASN HA H 4.857 0.015 1 230 220 40 ASN HB2 H 2.627 0.015 2 231 220 40 ASN HB3 H 2.738 0.015 2 232 220 40 ASN HD21 H 6.967 0.015 2 233 220 40 ASN HD22 H 7.388 0.015 2 234 220 40 ASN CA C 52.418 0.150 1 235 220 40 ASN CB C 38.099 0.150 1 236 220 40 ASN N N 118.168 0.150 1 237 220 40 ASN ND2 N 110.887 0.150 1 238 221 41 ILE H H 8.850 0.015 1 239 221 41 ILE HA H 3.598 0.015 1 240 221 41 ILE HB H 1.606 0.015 1 241 221 41 ILE C C 176.004 0.150 1 242 221 41 ILE CA C 61.417 0.150 1 243 221 41 ILE CB C 38.252 0.150 1 244 221 41 ILE N N 129.418 0.150 1 245 222 42 ASP H H 8.074 0.015 1 246 222 42 ASP HA H 4.328 0.015 1 247 222 42 ASP HB2 H 2.444 0.015 2 248 222 42 ASP HB3 H 2.526 0.015 2 249 222 42 ASP C C 177.012 0.150 1 250 222 42 ASP CA C 56.208 0.150 1 251 222 42 ASP CB C 39.729 0.150 1 252 222 42 ASP N N 120.336 0.150 1 253 223 43 HIS H H 7.617 0.015 1 254 223 43 HIS HA H 4.748 0.015 1 255 223 43 HIS HB2 H 3.044 0.015 2 256 223 43 HIS HB3 H 3.507 0.015 2 257 223 43 HIS C C 173.629 0.150 1 258 223 43 HIS CA C 53.823 0.150 1 259 223 43 HIS CB C 30.146 0.150 1 260 223 43 HIS N N 115.290 0.150 1 261 224 44 LEU H H 7.311 0.015 1 262 224 44 LEU HB2 H 0.835 0.015 2 263 224 44 LEU HB3 H 1.586 0.015 2 264 224 44 LEU C C 174.395 0.150 1 265 224 44 LEU CA C 54.774 0.150 1 266 224 44 LEU CB C 43.633 0.150 1 267 224 44 LEU N N 124.219 0.150 1 268 225 45 LYS H H 8.811 0.015 1 269 225 45 LYS HA H 4.605 0.015 1 270 225 45 LYS HB2 H 1.699 0.015 1 271 225 45 LYS HB3 H 1.699 0.015 1 272 225 45 LYS C C 176.040 0.150 1 273 225 45 LYS CA C 53.946 0.150 1 274 225 45 LYS CB C 35.699 0.150 1 275 225 45 LYS N N 125.304 0.150 1 276 226 46 ILE H H 8.210 0.015 1 277 226 46 ILE HA H 3.391 0.015 1 278 226 46 ILE HB H 1.742 0.015 1 279 226 46 ILE C C 177.519 0.150 1 280 226 46 ILE CA C 63.403 0.150 1 281 226 46 ILE CB C 36.873 0.150 1 282 226 46 ILE N N 119.293 0.150 1 283 227 47 GLY H H 9.097 0.015 1 284 227 47 GLY HA2 H 3.543 0.015 2 285 227 47 GLY HA3 H 4.491 0.015 2 286 227 47 GLY C C 174.017 0.150 1 287 227 47 GLY CA C 44.710 0.150 1 288 227 47 GLY N N 116.039 0.150 1 289 228 48 ASP H H 8.039 0.015 1 290 228 48 ASP CA C 53.583 0.150 1 291 228 48 ASP CB C 40.125 0.150 1 292 228 48 ASP N N 122.204 0.150 1 293 229 49 PRO HA H 5.379 0.015 1 294 229 49 PRO HB2 H 2.043 0.015 2 295 229 49 PRO HB3 H 2.317 0.015 2 296 229 49 PRO C C 177.129 0.150 1 297 229 49 PRO CA C 61.887 0.150 1 298 229 49 PRO CB C 32.072 0.150 1 299 230 50 VAL H H 8.880 0.015 1 300 230 50 VAL HA H 5.325 0.015 1 301 230 50 VAL HB H 2.114 0.015 1 302 230 50 VAL C C 173.534 0.150 1 303 230 50 VAL CA C 58.614 0.150 1 304 230 50 VAL CB C 36.772 0.150 1 305 230 50 VAL N N 114.665 0.150 1 306 231 51 GLU H H 9.141 0.015 1 307 231 51 GLU HA H 5.397 0.015 1 308 231 51 GLU HB2 H 1.847 0.015 1 309 231 51 GLU HB3 H 1.847 0.015 1 310 231 51 GLU C C 174.719 0.150 1 311 231 51 GLU CA C 53.646 0.150 1 312 231 51 GLU CB C 34.169 0.150 1 313 231 51 GLU N N 120.203 0.150 1 314 232 52 PHE H H 8.250 0.015 1 315 232 52 PHE HA H 5.118 0.015 1 316 232 52 PHE C C 171.917 0.150 1 317 232 52 PHE CA C 56.493 0.150 1 318 232 52 PHE CB C 41.325 0.150 1 319 232 52 PHE N N 117.118 0.150 1 320 233 53 GLU H H 8.784 0.015 1 321 233 53 GLU HA H 4.893 0.015 1 322 233 53 GLU HB2 H 1.862 0.015 1 323 233 53 GLU HB3 H 1.862 0.015 1 324 233 53 GLU C C 175.790 0.150 1 325 233 53 GLU CA C 54.192 0.150 1 326 233 53 GLU CB C 32.745 0.150 1 327 233 53 GLU N N 117.484 0.150 1 328 234 54 MET H H 9.653 0.015 1 329 234 54 MET HA H 5.119 0.015 1 330 234 54 MET C C 175.506 0.150 1 331 234 54 MET CA C 56.295 0.150 1 332 234 54 MET CB C 33.419 0.150 1 333 234 54 MET N N 128.948 0.150 1 334 235 55 THR H H 8.854 0.015 1 335 235 55 THR HA H 4.550 0.015 1 336 235 55 THR HB H 4.274 0.015 1 337 235 55 THR C C 171.430 0.150 1 338 235 55 THR CA C 59.632 0.150 1 339 235 55 THR CB C 70.245 0.150 1 340 235 55 THR N N 122.266 0.150 1 341 236 56 TYR H H 8.332 0.015 1 342 236 56 TYR HA H 4.969 0.015 1 343 236 56 TYR C C 175.976 0.150 1 344 236 56 TYR CA C 57.038 0.150 1 345 236 56 TYR CB C 40.121 0.150 1 346 236 56 TYR N N 117.444 0.150 1 347 237 57 ASP H H 9.059 0.015 1 348 237 57 ASP HA H 4.571 0.015 1 349 237 57 ASP C C 177.966 0.150 1 350 237 57 ASP CA C 54.683 0.150 1 351 237 57 ASP CB C 43.124 0.150 1 352 237 57 ASP N N 125.857 0.150 1 353 238 58 ARG H H 9.096 0.015 1 354 238 58 ARG HA H 4.113 0.015 1 355 238 58 ARG HB2 H 1.936 0.015 1 356 238 58 ARG HB3 H 1.936 0.015 1 357 238 58 ARG C C 177.126 0.150 1 358 238 58 ARG CA C 58.923 0.150 1 359 238 58 ARG CB C 30.108 0.150 1 360 238 58 ARG N N 128.020 0.150 1 361 239 59 ARG H H 8.669 0.015 1 362 239 59 ARG CA C 58.528 0.150 1 363 239 59 ARG CB C 30.513 0.150 1 364 239 59 ARG N N 117.898 0.150 1 365 240 60 THR H H 8.020 0.015 1 366 240 60 THR HA H 4.383 0.015 1 367 240 60 THR HB H 4.266 0.015 1 368 240 60 THR C C 176.506 0.150 1 369 240 60 THR CA C 61.916 0.150 1 370 240 60 THR CB C 71.444 0.150 1 371 240 60 THR N N 106.147 0.150 1 372 241 61 GLY H H 8.455 0.015 1 373 241 61 GLY HA2 H 3.839 0.015 2 374 241 61 GLY HA3 H 4.164 0.015 2 375 241 61 GLY C C 173.691 0.150 1 376 241 61 GLY CA C 45.849 0.150 1 377 241 61 GLY N N 111.353 0.150 1 378 242 62 LYS H H 7.718 0.015 1 379 242 62 LYS CA C 54.991 0.150 1 380 242 62 LYS CB C 32.861 0.150 1 381 242 62 LYS N N 120.444 0.150 1 382 243 63 PRO C C 176.521 0.150 1 383 243 63 PRO CA C 62.939 0.150 1 384 243 63 PRO CB C 32.353 0.150 1 385 244 64 ILE H H 8.970 0.015 1 386 244 64 ILE C C 173.579 0.150 1 387 244 64 ILE CA C 60.504 0.150 1 388 244 64 ILE CB C 43.717 0.150 1 389 244 64 ILE N N 118.345 0.150 1 390 245 65 ALA H H 8.800 0.015 1 391 245 65 ALA HA H 4.928 0.015 1 392 245 65 ALA HB H 0.699 0.015 1 393 245 65 ALA C C 175.079 0.150 1 394 245 65 ALA CA C 50.757 0.150 1 395 245 65 ALA CB C 21.292 0.150 1 396 245 65 ALA N N 122.684 0.150 1 397 246 66 SER H H 8.891 0.015 1 398 246 66 SER HA H 4.830 0.015 1 399 246 66 SER HB2 H 3.792 0.015 2 400 246 66 SER HB3 H 3.938 0.015 2 401 246 66 SER C C 172.621 0.150 1 402 246 66 SER CA C 56.381 0.150 1 403 246 66 SER CB C 66.029 0.150 1 404 246 66 SER N N 114.897 0.150 1 405 247 67 GLN H H 9.390 0.015 1 406 247 67 GLN HA H 4.056 0.015 1 407 247 67 GLN HB2 H 2.052 0.015 2 408 247 67 GLN HB3 H 2.172 0.015 2 409 247 67 GLN HE21 H 6.846 0.015 2 410 247 67 GLN HE22 H 7.702 0.015 2 411 247 67 GLN C C 175.121 0.150 1 412 247 67 GLN CA C 56.534 0.150 1 413 247 67 GLN CB C 27.293 0.150 1 414 247 67 GLN N N 120.106 0.150 1 415 247 67 GLN NE2 N 113.363 0.150 1 416 248 68 VAL H H 8.407 0.015 1 417 248 68 VAL HA H 4.729 0.015 1 418 248 68 VAL HB H 1.861 0.015 1 419 248 68 VAL C C 175.279 0.150 1 420 248 68 VAL CA C 61.905 0.150 1 421 248 68 VAL CB C 32.767 0.150 1 422 248 68 VAL N N 120.605 0.150 1 423 249 69 SER H H 9.267 0.015 1 424 249 69 SER HA H 4.502 0.015 1 425 249 69 SER HB3 H 3.668 0.015 2 426 249 69 SER C C 173.387 0.150 1 427 249 69 SER CA C 56.978 0.150 1 428 249 69 SER CB C 65.841 0.150 1 429 249 69 SER N N 120.209 0.150 1 430 250 70 LYS H H 8.977 0.015 1 431 250 70 LYS HA H 4.697 0.015 1 432 250 70 LYS HB2 H 1.722 0.015 2 433 250 70 LYS HB3 H 2.046 0.015 2 434 250 70 LYS C C 177.007 0.150 1 435 250 70 LYS CA C 57.484 0.150 1 436 250 70 LYS CB C 33.490 0.150 1 437 250 70 LYS N N 123.047 0.150 1 438 251 71 ILE H H 7.981 0.015 1 439 251 71 ILE HA H 4.128 0.015 1 440 251 71 ILE HB H 1.730 0.015 1 441 251 71 ILE C C 174.534 0.150 1 442 251 71 ILE CA C 61.986 0.150 1 443 251 71 ILE CB C 38.434 0.150 1 444 251 71 ILE N N 125.567 0.150 1 445 252 72 ALA H H 7.993 0.015 1 446 252 72 ALA CA C 53.666 0.150 1 447 252 72 ALA CB C 20.382 0.150 1 448 252 72 ALA N N 133.903 0.150 1 stop_ save_