data_18498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; YAP WW2 in complex with a Smad7 derived peptide. ; _BMRB_accession_number 18498 _BMRB_flat_file_name bmr18498.str _Entry_type original _Submission_date 2012-06-04 _Accession_date 2012-06-04 _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 Macias Maria J. . 2 Aragon Eric . . 3 Goerner Nina . . 4 Xi Qiaoran . . 5 Lopes Tiago . . 6 Gao Sheng . . 7 Massague Joan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-19 original author . stop_ _Original_release_date 2012-11-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for the Versatile Interactions of Smad7 with Regulator WW Domains in TGF-beta Pathways' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22921829 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aragon Eric . . 2 Goerner Nina . . 3 Xi Qiaoran . . 4 Gomes Tiago . . 5 Gao Sheng . . 6 Massague Joan . . 7 Macias Maria J. . stop_ _Journal_abbreviation Structure _Journal_volume 20 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1726 _Page_last 1736 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YAP WW2 in complex with a Smad7 derived peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YAP WW2' $YAPWW2 'Smad7 derived peptide' $SMAD7 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_YAPWW2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YAPWW2 _Molecular_mass 4191.631 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GPLPDGWEQAMTQDGEIYYI NHKNKTTSWLDPRLDP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 230 GLY 2 231 PRO 3 232 LEU 4 233 PRO 5 234 ASP 6 235 GLY 7 236 TRP 8 237 GLU 9 238 GLN 10 239 ALA 11 240 MET 12 241 THR 13 242 GLN 14 243 ASP 15 244 GLY 16 245 GLU 17 246 ILE 18 247 TYR 19 248 TYR 20 249 ILE 21 250 ASN 22 251 HIS 23 252 LYS 24 253 ASN 25 254 LYS 26 255 THR 27 256 THR 28 257 SER 29 258 TRP 30 259 LEU 31 260 ASP 32 261 PRO 33 262 ARG 34 263 LEU 35 264 ASP 36 265 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 17538 "second WW domain from human YAP" 94.44 38 100.00 100.00 3.56e-16 PDB 2LAW "Structure Of The Second Ww Domain From Human Yap In Complex With A Human Smad1 Derived Peptide" 94.44 38 100.00 100.00 3.56e-16 PDB 2LTV "Yap Ww2 In Complex With A Smad7 Derived Peptide" 100.00 36 100.00 100.00 1.45e-17 DBJ BAG62143 "unnamed protein product [Homo sapiens]" 100.00 326 100.00 100.00 1.63e-17 DBJ BAH14487 "unnamed protein product [Homo sapiens]" 100.00 326 100.00 100.00 1.70e-17 EMBL CCI79621 "Yes-associated protein isoform 8, partial [Homo sapiens]" 100.00 152 100.00 100.00 2.94e-18 EMBL CCI79622 "Yes-associated protein isoform 9, partial [Homo sapiens]" 100.00 168 100.00 100.00 3.12e-18 GB EAW67013 "Yes-associated protein 1, 65kDa, isoform CRA_c [Homo sapiens]" 100.00 328 100.00 100.00 1.74e-17 GB ELW64947 "Yorkie like protein [Tupaia chinensis]" 100.00 342 100.00 100.00 1.63e-17 GB EMP37969 "Yorkie like protein [Chelonia mydas]" 100.00 385 100.00 100.00 3.56e-17 GB ETE73276 "Yorkie-like protein [Ophiophagus hannah]" 100.00 325 97.22 100.00 6.41e-17 GB KFP99983 "Yorkie, partial [Haliaeetus albicilla]" 100.00 301 100.00 100.00 1.57e-17 REF NP_001181974 "yorkie homolog isoform 4 [Homo sapiens]" 100.00 326 100.00 100.00 1.63e-17 REF XP_002822438 "PREDICTED: yorkie homolog isoform X2 [Pongo abelii]" 100.00 330 100.00 100.00 1.67e-17 REF XP_003253086 "PREDICTED: transcriptional coactivator YAP1 [Nomascus leucogenys]" 100.00 326 100.00 100.00 1.53e-17 REF XP_004052073 "PREDICTED: yorkie homolog [Gorilla gorilla gorilla]" 100.00 326 100.00 100.00 1.63e-17 REF XP_004283405 "PREDICTED: transcriptional coactivator YAP1 isoform X9 [Orcinus orca]" 100.00 326 100.00 100.00 1.78e-17 stop_ save_ save_SMAD7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SMAD7 _Molecular_mass 1407.580 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence GSPPPPYSRYPMD loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 204 GLY 2 205 SER 3 206 PRO 4 207 PRO 5 208 PRO 6 209 PRO 7 210 TYR 8 211 SER 9 212 ARG 10 213 TYR 11 214 PRO 12 215 MET 13 216 ASP 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 $YAPWW2 Human 9606 Eukaryota Metazoa Homo sapiens $SMAD7 Human 9606 Eukaryota Metazoa Homo sapiens 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 $YAPWW2 'recombinant technology' . . . BL21 petM11 $SMAD7 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Homonuclear _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YAPWW2 1 mM 'natural abundance' $SMAD7 2 mM 'natural abundance' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YAPWW2 1 mM '[U-100% 13C; U-100% 15N]' $SMAD7 3 mM 'natural abundance' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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 $15N13C save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Homonuclear save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Homonuclear save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 285 . K pH 7.2 . pH pressure 1 . atm 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 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Homonuclear stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'YAP WW2' _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 1 231 2 PRO HA H 4.260 0.02 1 2 231 2 PRO HB2 H 1.796 0.02 2 3 231 2 PRO HB3 H 1.721 0.004 2 4 231 2 PRO HG2 H 2.077 0.003 2 5 231 2 PRO HD2 H 3.368 0.02 2 6 232 3 LEU H H 8.585 0.02 1 7 232 3 LEU HA H 3.954 0.02 1 8 232 3 LEU HB2 H 1.607 0.002 2 9 232 3 LEU HG H 1.174 0.02 1 10 232 3 LEU HD1 H 0.894 0.071 2 11 232 3 LEU HD2 H 0.582 0.02 2 12 233 4 PRO HA H 4.280 0.02 1 13 233 4 PRO HB2 H 2.217 0.02 2 14 233 4 PRO HB3 H 1.796 0.02 2 15 233 4 PRO HG2 H 1.558 0.02 2 16 233 4 PRO HG3 H 1.353 0.004 2 17 233 4 PRO HD2 H 3.172 0.02 2 18 233 4 PRO HD3 H 2.713 0.02 2 19 234 5 ASP H H 8.308 0.02 1 20 234 5 ASP HA H 4.218 0.02 1 21 234 5 ASP HB2 H 2.511 0.002 2 22 234 5 ASP HB3 H 2.390 0.002 2 23 235 6 GLY H H 8.677 0.02 1 24 235 6 GLY HA2 H 3.550 0.02 2 25 235 6 GLY HA3 H 4.007 0.02 2 26 236 7 TRP H H 7.733 0.02 1 27 236 7 TRP HA H 5.777 0.02 1 28 236 7 TRP HB2 H 3.075 0.02 2 29 236 7 TRP HB3 H 2.799 0.02 2 30 236 7 TRP HD1 H 6.826 0.02 1 31 236 7 TRP HE1 H 10.227 0.02 1 32 236 7 TRP HE3 H 7.222 0.02 1 33 236 7 TRP HZ2 H 7.276 0.02 1 34 236 7 TRP HZ3 H 6.619 0.007 1 35 236 7 TRP HH2 H 6.983 0.02 1 36 237 8 GLU H H 9.389 0.02 1 37 237 8 GLU HA H 4.540 0.02 1 38 237 8 GLU HB2 H 1.898 0.02 2 39 237 8 GLU HB3 H 1.819 0.02 2 40 237 8 GLU HG2 H 2.158 0.02 2 41 237 8 GLU HG3 H 2.057 0.02 2 42 238 9 GLN H H 8.815 0.02 1 43 238 9 GLN HA H 4.354 0.02 1 44 238 9 GLN HB2 H 1.741 0.02 2 45 238 9 GLN HB3 H 1.726 0.02 2 46 238 9 GLN HG2 H 1.935 0.02 2 47 238 9 GLN HG3 H 1.776 0.02 2 48 238 9 GLN HE21 H 7.143 0.02 2 49 238 9 GLN HE22 H 6.897 0.02 2 50 239 10 ALA H H 8.531 0.02 1 51 239 10 ALA HA H 4.223 0.02 1 52 239 10 ALA HB H 0.288 0.02 1 53 240 11 MET H H 7.854 0.02 1 54 240 11 MET HA H 5.391 0.02 1 55 240 11 MET HB2 H 1.712 0.02 2 56 240 11 MET HB3 H 1.597 0.02 2 57 240 11 MET HG2 H 2.419 0.003 2 58 240 11 MET HG3 H 2.100 0.003 2 59 240 11 MET HE H 2.431 0.02 1 60 241 12 THR H H 9.495 0.02 1 61 241 12 THR HA H 4.463 0.02 1 62 241 12 THR HB H 4.588 0.128 1 63 241 12 THR HG1 H 6.811 0.02 1 64 241 12 THR HG2 H 1.310 0.02 1 65 242 13 GLN H H 9.502 0.02 1 66 242 13 GLN HA H 3.975 0.02 1 67 242 13 GLN HB2 H 2.027 0.02 2 68 242 13 GLN HB3 H 1.917 0.02 2 69 242 13 GLN HG2 H 2.428 0.02 2 70 242 13 GLN HG3 H 2.088 0.02 2 71 242 13 GLN HE21 H 7.455 0.02 2 72 242 13 GLN HE22 H 6.789 0.02 2 73 243 14 ASP H H 7.529 0.02 1 74 243 14 ASP HA H 4.628 0.02 1 75 243 14 ASP HB2 H 2.673 0.02 2 76 243 14 ASP HB3 H 2.328 0.02 2 77 244 15 GLY H H 7.824 0.02 1 78 244 15 GLY HA2 H 3.614 0.02 2 79 244 15 GLY HA3 H 3.979 0.02 2 80 245 16 GLU H H 7.549 0.02 1 81 245 16 GLU HA H 4.325 0.002 1 82 245 16 GLU HB2 H 1.914 0.02 2 83 245 16 GLU HB3 H 1.725 0.02 2 84 245 16 GLU HG2 H 2.034 0.02 2 85 246 17 ILE H H 8.593 0.001 1 86 246 17 ILE HA H 4.465 0.02 1 87 246 17 ILE HB H 1.583 0.02 1 88 246 17 ILE HG12 H 1.245 0.304 2 89 246 17 ILE HG13 H 0.954 0.001 2 90 246 17 ILE HG2 H 0.501 0.02 1 91 246 17 ILE HD1 H 0.655 0.02 1 92 247 18 TYR H H 8.413 0.02 1 93 247 18 TYR HA H 4.682 0.02 1 94 247 18 TYR HB2 H 2.245 0.02 2 95 247 18 TYR HB3 H 1.942 0.02 2 96 247 18 TYR HD1 H 6.592 0.02 3 97 247 18 TYR HE1 H 6.058 0.02 3 98 248 19 TYR H H 8.826 0.02 1 99 248 19 TYR HA H 4.998 0.02 1 100 248 19 TYR HB2 H 2.979 0.02 2 101 248 19 TYR HB3 H 2.667 0.02 2 102 248 19 TYR HD2 H 6.591 0.02 3 103 248 19 TYR HE2 H 6.507 0.001 3 104 249 20 ILE H H 9.279 0.02 1 105 249 20 ILE HA H 4.144 0.02 1 106 249 20 ILE HB H 0.501 0.004 1 107 249 20 ILE HG12 H 1.190 0.02 2 108 249 20 ILE HG13 H 0.972 0.02 2 109 249 20 ILE HG2 H 0.325 0.002 1 110 249 20 ILE HD1 H 0.134 0.02 1 111 250 21 ASN H H 8.348 0.02 1 112 250 21 ASN HA H 3.802 0.02 1 113 250 21 ASN HB2 H 2.235 0.005 2 114 250 21 ASN HB3 H -0.387 0.02 2 115 250 21 ASN HD21 H 5.680 0.02 2 116 250 21 ASN HD22 H 6.468 0.02 2 117 251 22 HIS H H 8.580 0.02 1 118 251 22 HIS HA H 4.103 0.02 1 119 251 22 HIS HB2 H 2.864 0.02 2 120 251 22 HIS HD1 H 6.688 0.001 1 121 251 22 HIS HE1 H 7.535 0.02 1 122 252 23 LYS H H 7.959 0.02 1 123 252 23 LYS HA H 3.849 0.02 1 124 252 23 LYS HB2 H 1.635 0.006 2 125 252 23 LYS HB3 H 1.475 0.02 2 126 252 23 LYS HG2 H 1.227 0.02 2 127 252 23 LYS HG3 H 1.137 0.02 2 128 252 23 LYS HD2 H 0.974 0.02 2 129 252 23 LYS HD3 H 0.754 0.02 2 130 252 23 LYS HE2 H 2.683 0.02 2 131 253 24 ASN H H 6.530 0.02 1 132 253 24 ASN HA H 4.389 0.02 1 133 253 24 ASN HB2 H 2.455 0.015 2 134 253 24 ASN HB3 H 2.362 0.009 2 135 253 24 ASN HD21 H 7.193 0.02 2 136 253 24 ASN HD22 H 6.525 0.02 2 137 254 25 LYS H H 7.069 0.02 1 138 254 25 LYS HA H 2.370 0.491 1 139 254 25 LYS HB2 H 1.354 0.02 2 140 254 25 LYS HB3 H 1.282 0.02 2 141 254 25 LYS HG2 H 1.429 0.02 2 142 254 25 LYS HG3 H 1.156 0.02 2 143 254 25 LYS HD2 H 0.517 0.02 2 144 254 25 LYS HE2 H 2.696 0.002 2 145 255 26 THR H H 7.365 0.003 1 146 255 26 THR HA H 4.607 0.02 1 147 255 26 THR HB H 3.969 0.02 1 148 255 26 THR HG2 H 0.775 0.02 1 149 256 27 THR H H 7.959 0.02 1 150 256 27 THR HA H 5.255 0.02 1 151 256 27 THR HB H 3.971 0.02 1 152 256 27 THR HG1 H 4.850 0.003 1 153 256 27 THR HG2 H 0.979 0.02 1 154 257 28 SER H H 9.219 0.02 1 155 257 28 SER HA H 4.517 0.02 1 156 257 28 SER HB2 H 3.941 0.005 2 157 257 28 SER HB3 H 3.535 0.001 2 158 258 29 TRP H H 9.082 0.02 1 159 258 29 TRP HA H 5.062 0.02 1 160 258 29 TRP HB2 H 3.504 0.02 2 161 258 29 TRP HB3 H 2.997 0.215 2 162 258 29 TRP HD1 H 7.146 0.02 1 163 258 29 TRP HE1 H 9.959 0.02 1 164 258 29 TRP HE3 H 8.027 0.02 1 165 258 29 TRP HZ2 H 6.967 0.02 1 166 258 29 TRP HZ3 H 6.652 0.02 1 167 258 29 TRP HH2 H 6.832 0.02 1 168 259 30 LEU H H 8.397 0.02 1 169 259 30 LEU HA H 4.194 0.02 1 170 259 30 LEU HB2 H 1.393 0.02 2 171 259 30 LEU HB3 H 1.382 0.02 2 172 259 30 LEU HG H 1.207 0.02 1 173 259 30 LEU HD1 H 0.709 0.02 2 174 259 30 LEU HD2 H 0.645 0.02 2 175 260 31 ASP H H 7.989 0.02 1 176 260 31 ASP HA H 2.669 0.02 1 177 260 31 ASP HB2 H 2.341 0.002 2 178 260 31 ASP HB3 H 2.189 0.02 2 179 261 32 PRO HA H 3.639 0.02 1 180 261 32 PRO HB2 H 0.511 0.02 2 181 261 32 PRO HB3 H 0.241 0.002 2 182 261 32 PRO HG2 H 0.393 0.02 2 183 261 32 PRO HG3 H 0.090 0.02 2 184 261 32 PRO HD2 H 2.531 0.02 2 185 261 32 PRO HD3 H 2.320 0.02 2 186 262 33 ARG H H 8.147 0.02 1 187 262 33 ARG HA H 3.625 0.02 1 188 262 33 ARG HB2 H 1.325 0.02 2 189 262 33 ARG HB3 H 1.016 0.02 2 190 262 33 ARG HG2 H 1.610 0.02 2 191 262 33 ARG HG3 H 1.550 0.02 2 192 262 33 ARG HD2 H 2.649 0.02 2 193 262 33 ARG HD3 H 2.592 0.02 2 194 262 33 ARG HE H 8.411 0.02 1 195 263 34 LEU H H 7.075 0.02 1 196 263 34 LEU HA H 3.991 0.02 1 197 263 34 LEU HB2 H 1.270 0.02 2 198 263 34 LEU HB3 H 1.184 0.004 2 199 263 34 LEU HG H 1.160 0.004 1 200 263 34 LEU HD1 H 0.696 0.02 2 201 263 34 LEU HD2 H 0.522 0.02 2 202 264 35 ASP H H 7.543 0.02 1 203 264 35 ASP HA H 4.525 0.02 1 204 264 35 ASP HB2 H 2.462 0.003 2 205 264 35 ASP HB3 H 2.188 0.003 2 206 265 36 PRO HA H 4.168 0.02 1 207 265 36 PRO HB2 H 1.950 0.02 2 208 265 36 PRO HG2 H 1.760 0.02 2 209 265 36 PRO HD2 H 3.486 0.003 2 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Homonuclear stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Smad7 derived peptide' _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 1 204 1 GLY H H 8.132 0.02 1 2 204 1 GLY HA2 H 4.077 0.02 2 3 204 1 GLY HA3 H 4.077 0.02 2 4 206 2 SER HA H 4.441 0.02 1 5 206 2 SER HB2 H 4.024 0.02 2 6 207 3 PRO HA H 4.466 0.02 1 7 207 3 PRO HB2 H 2.090 0.02 2 8 207 3 PRO HG2 H 1.800 0.02 2 9 207 3 PRO HD2 H 3.576 0.02 2 10 207 3 PRO HD3 H 3.371 0.005 2 11 210 6 PRO HA H 4.268 0.02 1 12 210 6 PRO HG2 H 1.031 0.02 2 13 211 7 TYR H H 7.860 0.003 1 14 211 7 TYR HA H 4.131 0.02 1 15 211 7 TYR HB2 H 2.803 0.001 2 16 211 7 TYR HB3 H 2.771 0.02 2 17 211 7 TYR HD1 H 6.870 0.004 3 18 211 7 TYR HD2 H 6.870 0.004 3 19 211 7 TYR HE1 H 6.429 0.003 3 20 211 7 TYR HE2 H 6.429 0.003 3 21 213 9 ARG H H 8.221 0.02 1 22 213 9 ARG HA H 4.082 0.02 1 23 213 9 ARG HB2 H 1.509 0.073 2 24 213 9 ARG HB3 H 1.353 0.02 2 25 213 9 ARG HG2 H 1.449 0.02 2 26 213 9 ARG HG3 H 1.333 0.02 2 27 213 9 ARG HD2 H 2.942 0.005 2 28 214 10 TYR H H 7.969 0.02 1 29 214 10 TYR HA H 4.594 0.002 1 30 214 10 TYR HB2 H 2.896 0.02 2 31 214 10 TYR HB3 H 2.578 0.02 2 32 214 10 TYR HD1 H 6.944 0.003 3 33 214 10 TYR HD2 H 6.944 0.003 3 34 214 10 TYR HE1 H 6.594 0.02 3 35 214 10 TYR HE2 H 6.594 0.02 3 36 215 11 PRO HA H 4.116 0.02 1 37 215 11 PRO HB2 H 1.995 0.02 2 38 215 11 PRO HG2 H 1.633 0.02 2 39 215 11 PRO HD2 H 3.551 0.02 2 40 215 11 PRO HD3 H 3.373 0.013 2 stop_ save_