data_17241 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; YAP WW2 ; _BMRB_accession_number 17241 _BMRB_flat_file_name bmr17241.str _Entry_type original _Submission_date 2010-10-07 _Accession_date 2010-10-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the second WW domain of YAP from medaka fish.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Webb Claire . . 2 Upadhyay Abhishek . . 3 Furutani-Seiki Makoto . . 4 Bagby Stefan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 232 "13C chemical shifts" 193 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-21 update BMRB 'update entry citation' 2011-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Features and Ligand Binding Properties of Tandem WW Domains from YAP and TAZ, Nuclear Effectors of the Hippo Pathway.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21417403 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Webb Claire . . 2 Upadhyay Abhishek . . 3 Giuntini Francesca . . 4 Eggleston Ian . . 5 Furutani-Seiki Makoto . . 6 Ishima Rieko . . 7 Bagby Stefan . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 50 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3300 _Page_last 3309 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YAP $YAP 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_YAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5130.625 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSPNSSPASGPLPEGWEQAI TPEGEIYYINHKNKTTSWLD PRLETR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 177 GLY 2 178 SER 3 179 PRO 4 180 ASN 5 181 SER 6 182 SER 7 183 PRO 8 184 ALA 9 185 SER 10 186 GLY 11 187 PRO 12 188 LEU 13 189 PRO 14 190 GLU 15 191 GLY 16 192 TRP 17 193 GLU 18 194 GLN 19 195 ALA 20 196 ILE 21 197 THR 22 198 PRO 23 199 GLU 24 200 GLY 25 201 GLU 26 202 ILE 27 203 TYR 28 204 TYR 29 205 ILE 30 206 ASN 31 207 HIS 32 208 LYS 33 209 ASN 34 210 LYS 35 211 THR 36 212 THR 37 213 SER 38 214 TRP 39 215 LEU 40 216 ASP 41 217 PRO 42 218 ARG 43 219 LEU 44 220 GLU 45 221 THR 46 222 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 PDB 2L4J "Yap Ww2" 100.00 46 100.00 100.00 3.04e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YAP 'Japanese medaka' 8090 Eukaryota Metazoa Oryzias latipes 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 $YAP 'recombinant technology' . Escherichia coli BL21(DE3) pSV281 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' EDTA 5 mM . . 'natural abundance' $YAP . mM 400 600 [U-15N] H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'potassium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' EDTA 5 mM . . 'natural abundance' $YAP . mM 400 600 '[U-13C; U-15N]' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity 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_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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 'ionic strength' 0.2 . M pH 5.5 . pH pressure 1 . atm temperature 273 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D HNHA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YAP _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 1 177 1 GLY H H 7.882 0.02 1 2 177 1 GLY HA2 H 3.854 0.02 1 3 177 1 GLY C C 173.598 0.05 1 4 177 1 GLY CA C 45.322 0.05 1 5 177 1 GLY N N 109.844 0.05 1 6 178 2 SER H H 8.116 0.02 1 7 178 2 SER HA H 4.687 0.02 1 8 178 2 SER HB2 H 3.788 0.02 2 9 178 2 SER C C 173.625 0.05 1 10 178 2 SER CA C 56.378 0.05 1 11 178 2 SER CB C 63.626 0.05 1 12 178 2 SER N N 116.883 0.05 1 13 179 3 PRO HA H 4.370 0.02 1 14 179 3 PRO HB2 H 1.879 0.02 2 15 179 3 PRO HB3 H 2.171 0.02 2 16 179 3 PRO HD2 H 3.677 0.02 2 17 179 3 PRO C C 176.740 0.05 1 18 179 3 PRO CA C 63.760 0.05 1 19 179 3 PRO CB C 32.262 0.05 1 20 180 4 ASN H H 8.344 0.02 1 21 180 4 ASN HA H 4.633 0.02 1 22 180 4 ASN HB2 H 2.710 0.02 2 23 180 4 ASN HB3 H 2.812 0.02 2 24 180 4 ASN HD21 H 6.900 0.02 2 25 180 4 ASN HD22 H 7.549 0.02 2 26 180 4 ASN C C 175.065 0.05 1 27 180 4 ASN CA C 53.527 0.05 1 28 180 4 ASN CB C 39.036 0.05 1 29 180 4 ASN N N 118.206 0.05 1 30 180 4 ASN ND2 N 113.236 0.05 1 31 181 5 SER H H 8.073 0.02 1 32 181 5 SER HA H 4.424 0.02 1 33 181 5 SER HB2 H 3.828 0.02 2 34 181 5 SER C C 174.090 0.05 1 35 181 5 SER CA C 58.340 0.05 1 36 181 5 SER CB C 64.046 0.05 1 37 181 5 SER N N 116.074 0.05 1 38 182 6 SER H H 8.248 0.02 1 39 182 6 SER HA H 4.710 0.02 1 40 182 6 SER HB2 H 3.794 0.02 2 41 182 6 SER CA C 56.437 0.05 1 42 182 6 SER CB C 63.585 0.05 1 43 182 6 SER N N 118.893 0.05 1 44 183 7 PRO HA H 4.366 0.02 1 45 183 7 PRO HB2 H 1.875 0.02 2 46 183 7 PRO HB3 H 2.197 0.02 2 47 183 7 PRO HD2 H 3.635 0.02 2 48 183 7 PRO HD3 H 3.781 0.02 2 49 183 7 PRO C C 176.756 0.05 1 50 183 7 PRO CA C 63.595 0.05 1 51 183 7 PRO CB C 32.314 0.05 1 52 183 7 PRO CD C 50.695 0.05 1 53 183 7 PRO CG C 27.317 0.05 1 54 184 8 ALA H H 8.230 0.02 1 55 184 8 ALA HA H 4.226 0.02 1 56 184 8 ALA HB H 1.257 0.02 1 57 184 8 ALA C C 177.228 0.05 1 58 184 8 ALA CA C 52.582 0.05 1 59 184 8 ALA CB C 19.353 0.05 1 60 184 8 ALA N N 124.061 0.05 1 61 185 9 SER H H 8.093 0.02 1 62 185 9 SER HA H 4.463 0.02 1 63 185 9 SER HB2 H 3.788 0.02 2 64 185 9 SER C C 174.505 0.05 1 65 185 9 SER CA C 58.205 0.05 1 66 185 9 SER CB C 64.590 0.05 1 67 185 9 SER N N 114.384 0.05 1 68 186 10 GLY H H 8.125 0.02 1 69 186 10 GLY HA2 H 4.024 0.02 2 70 186 10 GLY HA3 H 4.099 0.02 2 71 186 10 GLY C C 171.346 0.05 1 72 186 10 GLY CA C 44.727 0.05 1 73 186 10 GLY N N 110.370 0.05 1 74 187 11 PRO HA H 4.424 0.02 1 75 187 11 PRO HB2 H 1.877 0.02 2 76 187 11 PRO HB3 H 2.217 0.02 2 77 187 11 PRO HD3 H 3.383 0.02 2 78 187 11 PRO CA C 62.717 0.05 1 79 187 11 PRO CB C 32.272 0.05 1 80 187 11 PRO CD C 49.816 0.05 1 81 187 11 PRO CG C 26.895 0.05 1 82 188 12 LEU H H 8.566 0.02 1 83 188 12 LEU HA H 4.163 0.02 1 84 188 12 LEU HB2 H 1.354 0.02 2 85 188 12 LEU HB3 H 1.740 0.02 2 86 188 12 LEU HD1 H 0.735 0.02 2 87 188 12 LEU HG H 1.006 0.02 1 88 188 12 LEU CA C 53.572 0.05 1 89 188 12 LEU CB C 41.443 0.05 1 90 188 12 LEU CD1 C 24.144 0.05 2 91 188 12 LEU CG C 26.800 0.05 1 92 188 12 LEU N N 122.659 0.05 1 93 189 13 PRO HA H 4.428 0.02 1 94 189 13 PRO HB2 H 1.956 0.02 2 95 189 13 PRO HB3 H 2.421 0.02 2 96 189 13 PRO HD2 H 2.923 0.02 2 97 189 13 PRO HD3 H 3.400 0.02 2 98 189 13 PRO HG2 H 1.535 0.02 2 99 189 13 PRO HG3 H 1.722 0.02 2 100 189 13 PRO C C 175.569 0.05 1 101 189 13 PRO CA C 62.323 0.05 1 102 189 13 PRO CB C 31.670 0.05 1 103 189 13 PRO CD C 50.292 0.05 1 104 189 13 PRO CG C 27.322 0.05 1 105 190 14 GLU H H 8.417 0.02 1 106 190 14 GLU HA H 4.060 0.02 1 107 190 14 GLU HB2 H 1.950 0.02 2 108 190 14 GLU HB3 H 2.067 0.02 2 109 190 14 GLU HG2 H 2.238 0.02 2 110 190 14 GLU HG3 H 2.313 0.02 2 111 190 14 GLU C C 177.197 0.05 1 112 190 14 GLU CA C 58.539 0.05 1 113 190 14 GLU CB C 30.026 0.05 1 114 190 14 GLU CG C 36.219 0.05 1 115 190 14 GLU N N 121.570 0.05 1 116 191 15 GLY H H 8.826 0.02 1 117 191 15 GLY HA2 H 3.648 0.02 2 118 191 15 GLY HA3 H 4.190 0.02 2 119 191 15 GLY C C 173.377 0.05 1 120 191 15 GLY CA C 45.242 0.05 1 121 191 15 GLY N N 113.873 0.05 1 122 192 16 TRP H H 7.872 0.02 1 123 192 16 TRP HA H 5.563 0.02 1 124 192 16 TRP HB2 H 2.929 0.02 2 125 192 16 TRP HB3 H 3.232 0.02 2 126 192 16 TRP HD1 H 7.006 0.02 1 127 192 16 TRP HE1 H 10.337 0.02 1 128 192 16 TRP HE3 H 7.332 0.02 1 129 192 16 TRP HH2 H 7.078 0.02 1 130 192 16 TRP HZ2 H 7.495 0.02 3 131 192 16 TRP HZ3 H 6.771 0.02 3 132 192 16 TRP C C 176.355 0.05 1 133 192 16 TRP CA C 56.852 0.05 1 134 192 16 TRP CB C 32.170 0.05 1 135 192 16 TRP CD1 C 126.16 0.05 1 136 192 16 TRP CE3 C 120.38 0.05 1 137 192 16 TRP CH2 C 123.75 0.05 1 138 192 16 TRP CZ2 C 114.19 0.05 2 139 192 16 TRP CZ3 C 121.57 0.05 2 140 192 16 TRP N N 119.088 0.05 1 141 192 16 TRP NE1 N 130.172 0.05 1 142 193 17 GLU H H 9.315 0.02 1 143 193 17 GLU HA H 4.697 0.02 1 144 193 17 GLU HB2 H 1.996 0.02 2 145 193 17 GLU HG2 H 2.266 0.02 2 146 193 17 GLU C C 174.189 0.05 1 147 193 17 GLU CA C 54.946 0.05 1 148 193 17 GLU CB C 34.746 0.05 1 149 193 17 GLU CG C 36.179 0.05 1 150 193 17 GLU N N 121.155 0.05 1 151 194 18 GLN H H 8.868 0.02 1 152 194 18 GLN HA H 4.453 0.02 1 153 194 18 GLN HB2 H 1.912 0.02 2 154 194 18 GLN HE21 H 6.966 0.02 2 155 194 18 GLN HE22 H 7.074 0.02 2 156 194 18 GLN HG2 H 2.014 0.02 2 157 194 18 GLN C C 173.530 0.05 1 158 194 18 GLN CA C 55.599 0.05 1 159 194 18 GLN CB C 31.294 0.05 1 160 194 18 GLN CG C 34.813 0.05 1 161 194 18 GLN N N 125.086 0.05 1 162 194 18 GLN NE2 N 112.387 0.05 1 163 195 19 ALA H H 8.710 0.02 1 164 195 19 ALA HA H 4.386 0.02 1 165 195 19 ALA HB H 0.450 0.02 1 166 195 19 ALA C C 173.778 0.05 1 167 195 19 ALA CA C 50.826 0.05 1 168 195 19 ALA CB C 22.004 0.05 1 169 195 19 ALA N N 131.851 0.05 1 170 196 20 ILE H H 7.758 0.02 1 171 196 20 ILE HA H 5.232 0.02 1 172 196 20 ILE HB H 1.517 0.02 1 173 196 20 ILE HD1 H 0.738 0.02 2 174 196 20 ILE HG12 H 1.060 0.02 2 175 196 20 ILE HG13 H 1.306 0.02 2 176 196 20 ILE HG2 H 0.834 0.02 2 177 196 20 ILE C C 176.970 0.05 1 178 196 20 ILE CA C 59.375 0.05 1 179 196 20 ILE CB C 41.690 0.05 1 180 196 20 ILE CD1 C 13.689 0.05 1 181 196 20 ILE CG1 C 27.521 0.05 2 182 196 20 ILE CG2 C 16.641 0.05 2 183 196 20 ILE N N 116.628 0.05 1 184 197 21 THR H H 9.362 0.02 1 185 197 21 THR HB H 4.866 0.02 1 186 197 21 THR CA C 60.685 0.05 1 187 197 21 THR CB C 69.240 0.05 1 188 197 21 THR N N 119.292 0.05 1 189 198 22 PRO HA H 4.336 0.02 1 190 198 22 PRO C C 177.224 0.05 1 191 198 22 PRO CA C 65.461 0.05 1 192 198 22 PRO CB C 31.783 0.05 1 193 198 22 PRO CG C 27.874 0.05 1 194 199 23 GLU H H 7.496 0.02 1 195 199 23 GLU HA H 4.314 0.02 1 196 199 23 GLU HB2 H 1.931 0.02 2 197 199 23 GLU HB3 H 2.220 0.02 2 198 199 23 GLU HG2 H 2.214 0.02 2 199 199 23 GLU HG3 H 2.392 0.02 2 200 199 23 GLU C C 176.675 0.05 1 201 199 23 GLU CA C 56.835 0.05 1 202 199 23 GLU CB C 29.458 0.05 1 203 199 23 GLU CG C 37.099 0.05 1 204 199 23 GLU N N 112.803 0.05 1 205 200 24 GLY H H 8.296 0.02 1 206 200 24 GLY HA2 H 3.512 0.02 2 207 200 24 GLY HA3 H 4.206 0.02 2 208 200 24 GLY C C 174.209 0.05 1 209 200 24 GLY CA C 45.724 0.05 1 210 200 24 GLY N N 108.843 0.05 1 211 201 25 GLU H H 7.567 0.02 1 212 201 25 GLU HA H 4.517 0.02 1 213 201 25 GLU HB2 H 2.179 0.02 2 214 201 25 GLU HB3 H 2.256 0.02 2 215 201 25 GLU HG2 H 2.183 0.02 2 216 201 25 GLU C C 175.435 0.05 1 217 201 25 GLU CA C 55.865 0.05 1 218 201 25 GLU CB C 31.005 0.05 1 219 201 25 GLU CG C 36.321 0.05 1 220 201 25 GLU N N 119.995 0.05 1 221 202 26 ILE H H 8.558 0.02 1 222 202 26 ILE HA H 4.608 0.02 1 223 202 26 ILE HB H 1.701 0.02 1 224 202 26 ILE HD1 H 0.805 0.02 2 225 202 26 ILE HG12 H 1.039 0.02 2 226 202 26 ILE HG13 H 1.605 0.02 2 227 202 26 ILE HG2 H 0.644 0.02 2 228 202 26 ILE C C 175.468 0.05 1 229 202 26 ILE CA C 61.424 0.05 1 230 202 26 ILE CB C 38.955 0.05 1 231 202 26 ILE CD1 C 13.137 0.05 1 232 202 26 ILE CG1 C 28.787 0.05 2 233 202 26 ILE CG2 C 17.818 0.05 2 234 202 26 ILE N N 125.921 0.05 1 235 203 27 TYR H H 8.519 0.02 1 236 203 27 TYR HA H 4.574 0.02 1 237 203 27 TYR HB2 H 2.290 0.02 2 238 203 27 TYR HD1 H 6.683 0.02 3 239 203 27 TYR HD2 H 6.683 0.02 3 240 203 27 TYR HE1 H 6.289 0.02 3 241 203 27 TYR HE2 H 6.289 0.02 3 242 203 27 TYR C C 170.800 0.05 1 243 203 27 TYR CA C 55.566 0.05 1 244 203 27 TYR CB C 39.105 0.05 1 245 203 27 TYR CD1 C 132.54 0.05 3 246 203 27 TYR CD2 C 132.26 0.05 3 247 203 27 TYR CE1 C 117.81 0.05 3 248 203 27 TYR CE2 C 117.91 0.05 3 249 203 27 TYR N N 124.383 0.05 1 250 204 28 TYR H H 8.720 0.02 1 251 204 28 TYR HA H 5.219 0.02 1 252 204 28 TYR HB2 H 2.793 0.02 2 253 204 28 TYR HB3 H 3.062 0.02 2 254 204 28 TYR HD1 H 6.755 0.02 3 255 204 28 TYR HD2 H 6.755 0.02 3 256 204 28 TYR HE1 H 6.635 0.02 3 257 204 28 TYR HE2 H 6.635 0.02 3 258 204 28 TYR C C 174.752 0.05 1 259 204 28 TYR CA C 56.891 0.05 1 260 204 28 TYR CB C 42.173 0.05 1 261 204 28 TYR CD1 C 132.54 0.05 3 262 204 28 TYR CD2 C 132.26 0.05 3 263 204 28 TYR CE1 C 117.81 0.05 3 264 204 28 TYR CE2 C 117.91 0.05 3 265 204 28 TYR N N 116.263 0.05 1 266 205 29 ILE H H 9.295 0.02 1 267 205 29 ILE HA H 4.471 0.02 1 268 205 29 ILE HB H 1.346 0.02 1 269 205 29 ILE HD1 H 0.627 0.02 2 270 205 29 ILE HG12 H 0.691 0.02 2 271 205 29 ILE HG13 H 1.201 0.02 2 272 205 29 ILE HG2 H 0.352 0.02 2 273 205 29 ILE C C 173.814 0.05 1 274 205 29 ILE CA C 60.273 0.05 1 275 205 29 ILE CB C 42.412 0.05 1 276 205 29 ILE CD1 C 14.572 0.05 1 277 205 29 ILE CG1 C 28.064 0.05 2 278 205 29 ILE CG2 C 16.485 0.05 2 279 205 29 ILE N N 122.356 0.05 1 280 206 30 ASN H H 8.364 0.02 1 281 206 30 ASN HA H 4.103 0.02 1 282 206 30 ASN HB2 H 2.381 0.02 2 283 206 30 ASN HD21 H 7.27 0.02 2 284 206 30 ASN HD22 H 6.583 0.02 2 285 206 30 ASN C C 176.131 0.05 1 286 206 30 ASN CA C 51.045 0.05 1 287 206 30 ASN CB C 36.912 0.05 1 288 206 30 ASN N N 125.650 0.05 1 289 206 30 ASN ND2 N 109.905 0.05 1 290 207 31 HIS H H 8.749 0.02 1 291 207 31 HIS HA H 4.236 0.02 1 292 207 31 HIS HB2 H 3.121 0.02 2 293 207 31 HIS C C 176.309 0.05 1 294 207 31 HIS CA C 58.242 0.05 1 295 207 31 HIS CB C 29.216 0.05 1 296 207 31 HIS N N 122.096 0.05 1 297 208 32 LYS H H 8.247 0.02 1 298 208 32 LYS HA H 4.055 0.02 1 299 208 32 LYS HB2 H 1.720 0.02 2 300 208 32 LYS HB3 H 1.785 0.02 2 301 208 32 LYS HD2 H 1.627 0.02 2 302 208 32 LYS HE2 H 2.912 0.02 2 303 208 32 LYS HG2 H 1.325 0.02 2 304 208 32 LYS HG3 H 1.385 0.02 2 305 208 32 LYS C C 177.610 0.05 1 306 208 32 LYS CA C 58.835 0.05 1 307 208 32 LYS CB C 31.899 0.05 1 308 208 32 LYS CD C 29.047 0.05 1 309 208 32 LYS CE C 42.097 0.05 1 310 208 32 LYS CG C 24.995 0.05 1 311 208 32 LYS N N 119.796 0.05 1 312 209 33 ASN H H 7.058 0.02 1 313 209 33 ASN HA H 4.658 0.02 1 314 209 33 ASN HB2 H 2.637 0.02 2 315 209 33 ASN HD21 H 6.691 0.02 2 316 209 33 ASN HD22 H 7.357 0.02 2 317 209 33 ASN C C 174.532 0.05 1 318 209 33 ASN CA C 51.977 0.05 1 319 209 33 ASN CB C 38.926 0.05 1 320 209 33 ASN N N 113.809 0.05 1 321 209 33 ASN ND2 N 110.823 0.05 1 322 210 34 LYS H H 7.725 0.02 1 323 210 34 LYS HA H 3.825 0.02 1 324 210 34 LYS HB2 H 1.799 0.02 2 325 210 34 LYS HB3 H 1.973 0.02 2 326 210 34 LYS HD2 H 1.596 0.02 2 327 210 34 LYS HE2 H 2.964 0.02 2 328 210 34 LYS HG2 H 1.271 0.02 2 329 210 34 LYS C C 175.652 0.05 1 330 210 34 LYS CA C 57.256 0.05 1 331 210 34 LYS CB C 29.284 0.05 1 332 210 34 LYS CD C 29.390 0.05 1 333 210 34 LYS CE C 42.525 0.05 1 334 210 34 LYS CG C 25.097 0.05 1 335 210 34 LYS N N 116.609 0.05 1 336 211 35 THR H H 7.630 0.02 1 337 211 35 THR HA H 4.681 0.02 1 338 211 35 THR HB H 4.139 0.02 1 339 211 35 THR HG2 H 1.084 0.02 1 340 211 35 THR C C 173.794 0.05 1 341 211 35 THR CA C 60.713 0.05 1 342 211 35 THR CB C 72.178 0.05 1 343 211 35 THR CG2 C 21.488 0.05 1 344 211 35 THR N N 110.570 0.05 1 345 212 36 THR H H 8.245 0.02 1 346 212 36 THR HA H 5.325 0.02 1 347 212 36 THR HB H 4.088 0.02 1 348 212 36 THR HG2 H 1.083 0.02 1 349 212 36 THR C C 174.264 0.05 1 350 212 36 THR CA C 60.191 0.05 1 351 212 36 THR CB C 72.176 0.05 1 352 212 36 THR CG2 C 22.402 0.05 1 353 212 36 THR N N 112.409 0.05 1 354 213 37 SER H H 9.322 0.02 1 355 213 37 SER HA H 4.798 0.02 1 356 213 37 SER HB2 H 4.025 0.02 2 357 213 37 SER HB3 H 4.021 0.02 2 358 213 37 SER C C 174.424 0.05 1 359 213 37 SER CA C 57.299 0.05 1 360 213 37 SER CB C 65.978 0.05 1 361 213 37 SER N N 114.724 0.05 1 362 214 38 TRP H H 8.978 0.02 1 363 214 38 TRP HA H 4.945 0.02 1 364 214 38 TRP HB2 H 3.076 0.02 2 365 214 38 TRP HB3 H 3.604 0.02 2 366 214 38 TRP HD1 H 7.305 0.02 1 367 214 38 TRP HE1 H 10.211 0.02 1 368 214 38 TRP HE3 H 7.926 0.02 1 369 214 38 TRP HH2 H 6.933 0.02 1 370 214 38 TRP HZ2 H 7.209 0.02 3 371 214 38 TRP HZ3 H 6.884 0.02 3 372 214 38 TRP C C 175.916 0.05 1 373 214 38 TRP CA C 58.488 0.05 1 374 214 38 TRP CB C 30.174 0.05 1 375 214 38 TRP CD1 C 126.16 0.05 1 376 214 38 TRP CE3 C 120.38 0.05 1 377 214 38 TRP CH2 C 123.75 0.05 1 378 214 38 TRP CZ2 C 114.19 0.05 3 379 214 38 TRP CZ3 C 121.57 0.05 3 380 214 38 TRP N N 126.173 0.05 1 381 214 38 TRP NE1 N 129.422 0.05 1 382 215 39 LEU H H 8.235 0.02 1 383 215 39 LEU HA H 4.426 0.02 1 384 215 39 LEU HB2 H 1.374 0.02 2 385 215 39 LEU HD1 H 0.792 0.02 2 386 215 39 LEU HD2 H 0.850 0.02 2 387 215 39 LEU HG H 1.498 0.02 1 388 215 39 LEU C C 175.510 0.05 1 389 215 39 LEU CA C 53.950 0.05 1 390 215 39 LEU CB C 43.128 0.05 1 391 215 39 LEU CD1 C 23.908 0.05 2 392 215 39 LEU CD2 C 24.772 0.05 2 393 215 39 LEU CG C 26.913 0.05 1 394 215 39 LEU N N 121.391 0.05 1 395 216 40 ASP H H 8.133 0.02 1 396 216 40 ASP HA H 3.140 0.02 1 397 216 40 ASP HB2 H 2.412 0.02 2 398 216 40 ASP HB3 H 2.538 0.02 2 399 216 40 ASP C C 175.823 0.05 1 400 216 40 ASP CA C 51.301 0.05 1 401 216 40 ASP CB C 41.444 0.05 1 402 216 40 ASP N N 125.050 0.05 1 403 217 41 PRO HA H 3.769 0.02 1 404 217 41 PRO HB2 H 2.05 0.02 2 405 217 41 PRO HB3 H 2.05 0.02 2 406 217 41 PRO HG2 H 2.529 0.02 2 407 217 41 PRO HG3 H 2.590 0.02 2 408 217 41 PRO C C 177.781 0.05 1 409 217 41 PRO CA C 63.190 0.05 1 410 217 41 PRO CB C 30.872 0.05 1 411 217 41 PRO CD C 49.808 0.05 1 412 217 41 PRO CG C 26.403 0.05 1 413 218 42 ARG H H 8.393 0.02 1 414 218 42 ARG HA H 3.839 0.02 1 415 218 42 ARG HB2 H 1.506 0.02 2 416 218 42 ARG HB3 H 1.756 0.02 2 417 218 42 ARG HD2 H 2.827 0.02 2 418 218 42 ARG HD3 H 2.912 0.02 2 419 218 42 ARG HG2 H 1.221 0.02 2 420 218 42 ARG C C 177.056 0.05 1 421 218 42 ARG CA C 57.496 0.05 1 422 218 42 ARG CB C 30.361 0.05 1 423 218 42 ARG CD C 43.143 0.05 1 424 218 42 ARG CG C 27.372 0.05 1 425 218 42 ARG N N 118.634 0.05 1 426 219 43 LEU H H 7.389 0.02 1 427 219 43 LEU HA H 4.162 0.02 1 428 219 43 LEU HB2 H 1.487 0.02 2 429 219 43 LEU HB3 H 1.646 0.02 2 430 219 43 LEU HD1 H 0.736 0.02 2 431 219 43 LEU HD2 H 0.880 0.02 2 432 219 43 LEU HG H 1.397 0.02 1 433 219 43 LEU C C 177.101 0.05 1 434 219 43 LEU CA C 55.045 0.05 1 435 219 43 LEU CB C 42.017 0.05 1 436 219 43 LEU CD1 C 22.798 0.05 2 437 219 43 LEU CD2 C 25.513 0.05 2 438 219 43 LEU CG C 26.933 0.05 1 439 219 43 LEU N N 118.227 0.05 1 440 220 44 GLU H H 7.603 0.02 1 441 220 44 GLU HA H 4.228 0.02 1 442 220 44 GLU HB2 H 1.835 0.02 2 443 220 44 GLU HB3 H 1.974 0.02 2 444 220 44 GLU HG2 H 2.122 0.02 2 445 220 44 GLU HG3 H 2.188 0.02 2 446 220 44 GLU C C 176.257 0.05 1 447 220 44 GLU CA C 56.564 0.05 1 448 220 44 GLU CB C 30.628 0.05 1 449 220 44 GLU CG C 35.971 0.05 1 450 220 44 GLU N N 120.350 0.05 1 451 221 45 THR H H 8.010 0.02 1 452 221 45 THR HA H 4.281 0.02 1 453 221 45 THR HB H 4.167 0.02 1 454 221 45 THR HG2 H 1.120 0.02 1 455 221 45 THR C C 173.653 0.05 1 456 221 45 THR CA C 61.748 0.05 1 457 221 45 THR CB C 69.926 0.05 1 458 221 45 THR CG2 C 21.588 0.05 1 459 221 45 THR N N 116.071 0.05 1 460 222 46 ARG H H 7.916 0.02 1 461 222 46 ARG HA H 4.121 0.02 1 462 222 46 ARG HB2 H 1.663 0.02 2 463 222 46 ARG HB3 H 1.814 0.02 2 464 222 46 ARG HD2 H 3.152 0.02 2 465 222 46 ARG HG2 H 1.548 0.02 2 466 222 46 ARG C C 180.888 0.05 1 467 222 46 ARG CA C 57.514 0.05 1 468 222 46 ARG CB C 31.840 0.05 1 469 222 46 ARG CD C 43.600 0.05 1 470 222 46 ARG CG C 31.664 0.05 1 471 222 46 ARG N N 129.099 0.05 1 stop_ save_