data_18499 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; YAP WW1 in complex with a Smad7 derived peptide. ; _BMRB_accession_number 18499 _BMRB_flat_file_name bmr18499.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" 241 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 WW1 in complex with a Smad7 derived peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'YAP WW1' $YAPWW1 '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_YAPWW1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YAPWW1 _Molecular_mass 4151.635 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; DVPLPAGWEMAKTSSGQRYF LNHIDQTTTWQDPRKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 170 ASP 2 171 VAL 3 172 PRO 4 173 LEU 5 174 PRO 6 175 ALA 7 176 GLY 8 177 TRP 9 178 GLU 10 179 MET 11 180 ALA 12 181 LYS 13 182 THR 14 183 SER 15 184 SER 16 185 GLY 17 186 GLN 18 187 ARG 19 188 TYR 20 189 PHE 21 190 LEU 22 191 ASN 23 192 HIS 24 193 ILE 25 194 ASP 26 195 GLN 27 196 THR 28 197 THR 29 198 THR 30 199 TRP 31 200 GLN 32 201 ASP 33 202 PRO 34 203 ARG 35 204 LYS 36 205 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 17539 "first WW domain of human YAP" 100.00 40 100.00 100.00 7.22e-18 BMRB 17540 "human Yap" 100.00 36 100.00 100.00 9.92e-18 PDB 1JMQ "Yap65 (L30k Mutant) Ww Domain In Complex With Gtppppytvg Peptide" 100.00 46 97.22 97.22 8.05e-17 PDB 1K5R "Yap65 Ww Domain S24-Amino-Ethylsulfanyl-Acetic Acid Mutant" 97.22 41 97.14 97.14 2.84e-16 PDB 1K9Q "Yap65 Ww Domain Complexed To N-(N-Octyl)-Gpppy-Nh2" 97.22 40 100.00 100.00 5.37e-17 PDB 1K9R "Yap65 Ww Domain Complexed To Acetyl-Plppy" 97.22 40 100.00 100.00 5.37e-17 PDB 2LAX "Structure Of First Ww Domain Of Human Yap In Complex With A Human Smad1 Doubly-Phosphorilated Derived Peptide" 100.00 40 100.00 100.00 7.22e-18 PDB 2LAY "Structure Of The First Ww Domain Of Human Yap In Complex With A Phosphorylated Human Smad1 Derived Peptide" 100.00 36 100.00 100.00 9.92e-18 PDB 2LTW "Yap Ww1 In Complex With A Smad7 Derived Peptide" 100.00 36 100.00 100.00 9.92e-18 PDB 4REX "Crystal Structure Of The First Ww Domain Of Human Yap2 Isoform" 100.00 49 100.00 100.00 8.20e-18 DBJ BAE34009 "unnamed protein product [Mus musculus]" 58.33 244 100.00 100.00 3.20e-05 DBJ BAJ41471 "yes-associated protein beta [Homo sapiens]" 100.00 466 100.00 100.00 1.04e-16 EMBL CAA56672 "YAP65 (Yes-associated protein of 65kDa MW) [Homo sapiens]" 100.00 454 100.00 100.00 1.01e-16 GB EAW67012 "Yes-associated protein 1, 65kDa, isoform CRA_b [Homo sapiens]" 100.00 454 100.00 100.00 1.01e-16 GB EAW67014 "Yes-associated protein 1, 65kDa, isoform CRA_b [Homo sapiens]" 100.00 454 100.00 100.00 1.01e-16 GB EPY79954 "hypothetical protein CB1_000877029 [Camelus ferus]" 61.11 334 100.00 100.00 3.83e-06 REF NP_001269026 "yorkie homolog isoform 6 [Homo sapiens]" 100.00 466 100.00 100.00 1.04e-16 REF NP_001269027 "transcriptional coactivator YAP1 isoform 5 [Homo sapiens]" 100.00 454 100.00 100.00 1.01e-16 REF NP_001269028 "yorkie homolog isoform 7 [Homo sapiens]" 100.00 470 100.00 100.00 1.06e-16 REF NP_006097 "yorkie homolog isoform 2 [Homo sapiens]" 100.00 450 100.00 100.00 9.71e-17 REF XP_002799821 "PREDICTED: 65 kDa Yes-associated protein-like isoform 3 [Macaca mulatta]" 100.00 454 100.00 100.00 9.37e-17 stop_ save_ save_SMAD7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SMAD7 _Molecular_mass 1593.747 _Mol_thiol_state 'not present' _Details . _Residue_count 14 _Mol_residue_sequence GESPPPPYSRYPMD loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 204 GLY 2 205 GLU 3 206 SER 4 207 PRO 5 208 PRO 6 209 PRO 7 210 PRO 8 211 TYR 9 212 SER 10 213 ARG 11 214 TYR 12 215 PRO 13 216 MET 14 217 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 $YAPWW1 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 $YAPWW1 '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 $YAPWW1 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 $YAPWW1 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 WW1' _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 1 170 1 ASP HA H 4.222 0.02 1 2 170 1 ASP HB2 H 2.513 0.02 2 3 170 1 ASP HB3 H 2.376 0.02 2 4 170 1 ASP H H 7.934 0.02 1 5 171 2 VAL H H 7.178 0.02 1 6 171 2 VAL HA H 4.021 0.02 1 7 171 2 VAL HB H 1.779 0.02 1 8 171 2 VAL HG1 H 0.776 0.02 2 9 171 2 VAL HG2 H 0.753 0.004 2 10 172 3 PRO HA H 4.134 0.02 1 11 172 3 PRO HB2 H 1.764 0.004 2 12 172 3 PRO HB3 H 1.617 0.004 2 13 172 3 PRO HG2 H 2.099 0.001 2 14 172 3 PRO HD2 H 3.797 0.02 2 15 172 3 PRO HD3 H 3.435 0.02 2 16 173 4 LEU H H 8.380 0.02 1 17 173 4 LEU HA H 4.008 0.02 1 18 173 4 LEU HB2 H 1.620 0.02 2 19 173 4 LEU HB3 H 1.555 0.02 2 20 173 4 LEU HG H 1.285 0.02 1 21 173 4 LEU HD1 H 0.907 0.001 2 22 173 4 LEU HD2 H 0.667 0.001 2 23 174 5 PRO HA H 4.270 0.02 1 24 174 5 PRO HB2 H 1.365 0.02 2 25 174 5 PRO HB3 H 1.292 0.02 2 26 174 5 PRO HG2 H 1.772 0.02 2 27 174 5 PRO HG3 H 1.620 0.02 2 28 174 5 PRO HD2 H 3.147 0.02 2 29 174 5 PRO HD3 H 2.694 0.001 2 30 175 6 ALA H H 8.264 0.02 1 31 175 6 ALA HA H 3.986 0.02 1 32 175 6 ALA HB H 1.209 0.02 1 33 176 7 GLY H H 8.592 0.02 1 34 176 7 GLY HA2 H 3.389 0.02 2 35 177 8 TRP H H 7.519 0.02 1 36 177 8 TRP HA H 5.507 0.02 1 37 177 8 TRP HB2 H 3.089 0.001 2 38 177 8 TRP HB3 H 2.862 0.001 2 39 177 8 TRP HD1 H 6.869 0.02 1 40 177 8 TRP HE1 H 10.225 0.02 1 41 177 8 TRP HE3 H 6.651 0.003 1 42 177 8 TRP HZ2 H 7.257 0.02 1 43 177 8 TRP HZ3 H 6.965 0.003 1 44 177 8 TRP HH2 H 7.202 0.003 1 45 178 9 GLU H H 9.269 0.02 1 46 178 9 GLU HA H 4.527 0.02 1 47 178 9 GLU HB2 H 1.958 0.02 2 48 178 9 GLU HB3 H 1.855 0.02 2 49 178 9 GLU HG2 H 2.178 0.02 2 50 178 9 GLU HG3 H 2.028 0.02 2 51 179 10 MET H H 8.833 0.02 1 52 179 10 MET HA H 4.228 0.02 1 53 179 10 MET HB2 H 1.788 0.085 2 54 179 10 MET HB3 H 1.629 0.059 2 55 179 10 MET HG2 H 2.192 0.02 2 56 180 11 ALA H H 8.195 0.02 1 57 180 11 ALA HA H 4.150 0.02 1 58 180 11 ALA HB H 0.336 0.02 1 59 181 12 LYS H H 7.878 0.02 1 60 181 12 LYS HA H 5.245 0.007 1 61 181 12 LYS HB2 H 1.344 0.006 2 62 181 12 LYS HB3 H 1.367 0.02 2 63 181 12 LYS HG2 H 1.424 0.009 2 64 181 12 LYS HG3 H 0.961 0.02 2 65 181 12 LYS HD2 H 1.089 0.02 2 66 181 12 LYS HD3 H 0.963 0.003 2 67 181 12 LYS HE2 H 2.641 0.02 2 68 182 13 THR H H 9.008 0.02 1 69 182 13 THR HA H 4.232 0.02 1 70 182 13 THR HG1 H 4.762 0.02 1 71 182 13 THR HG2 H 1.345 0.02 1 72 183 14 SER H H 8.473 0.02 1 73 183 14 SER HA H 4.065 0.02 1 74 183 14 SER HB2 H 3.864 0.02 2 75 183 14 SER HB3 H 3.803 0.02 2 76 184 15 SER H H 7.975 0.02 1 77 184 15 SER HA H 4.405 0.02 1 78 184 15 SER HB2 H 3.896 0.001 2 79 184 15 SER HB3 H 3.654 0.002 2 80 185 16 GLY H H 7.972 0.02 1 81 185 16 GLY HA2 H 3.382 0.02 2 82 186 17 GLN H H 7.379 0.02 1 83 186 17 GLN HA H 4.221 0.02 1 84 186 17 GLN HB2 H 2.093 0.001 2 85 186 17 GLN HB3 H 2.049 0.02 2 86 186 17 GLN HG2 H 2.191 0.02 2 87 186 17 GLN HG3 H 2.123 0.02 2 88 186 17 GLN HE21 H 7.299 0.02 2 89 186 17 GLN HE22 H 6.446 0.02 2 90 187 18 ARG H H 8.775 0.02 1 91 187 18 ARG HA H 4.239 0.002 1 92 187 18 ARG HB2 H 1.613 0.004 2 93 187 18 ARG HB3 H 1.536 0.062 2 94 187 18 ARG HG2 H 1.463 0.009 2 95 187 18 ARG HG3 H 1.224 0.02 2 96 188 19 TYR H H 8.452 0.02 1 97 188 19 TYR HA H 4.467 0.02 1 98 188 19 TYR HB2 H 2.424 0.005 2 99 188 19 TYR HB3 H 2.152 0.003 2 100 188 19 TYR HD2 H 6.513 0.02 3 101 188 19 TYR HE2 H 6.102 0.003 3 102 189 20 PHE H H 8.695 0.02 1 103 189 20 PHE HA H 5.102 0.02 1 104 189 20 PHE HB2 H 2.975 0.02 2 105 189 20 PHE HB3 H 2.849 0.002 2 106 189 20 PHE HD1 H 6.799 0.02 3 107 189 20 PHE HE1 H 7.005 0.001 3 108 189 20 PHE HZ H 7.203 0.002 1 109 190 21 LEU H H 9.185 0.001 1 110 190 21 LEU HA H 4.531 0.02 1 111 190 21 LEU HB2 H 1.082 0.02 2 112 190 21 LEU HB3 H 1.055 0.02 2 113 190 21 LEU HG H 0.885 0.02 1 114 190 21 LEU HD1 H 0.495 0.02 2 115 190 21 LEU HD2 H 0.391 0.02 2 116 191 22 ASN H H 8.135 0.02 1 117 191 22 ASN HA H 3.691 0.02 1 118 191 22 ASN HB2 H 2.361 0.02 2 119 191 22 ASN HB3 H 0.019 0.02 2 120 191 22 ASN HD21 H 6.436 0.02 2 121 191 22 ASN HD22 H 5.636 0.02 2 122 192 23 HIS H H 8.502 0.02 1 123 192 23 HIS HA H 4.076 0.02 1 124 192 23 HIS HB2 H 2.859 0.02 2 125 192 23 HIS HD1 H 6.592 0.02 1 126 192 23 HIS HE1 H 7.525 0.02 1 127 193 24 ILE H H 8.024 0.02 1 128 193 24 ILE HA H 3.611 0.02 1 129 193 24 ILE HB H 1.780 0.02 1 130 193 24 ILE HG2 H 1.303 0.02 1 131 193 24 ILE HG2 H 0.969 0.02 1 132 193 24 ILE HG2 H 0.627 0.02 1 133 193 24 ILE HD1 H 0.965 0.02 1 134 194 25 ASP H H 6.873 0.02 1 135 194 25 ASP HA H 4.352 0.02 1 136 194 25 ASP HB2 H 2.345 0.005 2 137 194 25 ASP HB3 H 2.188 0.004 2 138 195 26 GLN H H 7.575 0.02 1 139 195 26 GLN HA H 3.620 0.001 1 140 195 26 GLN HB2 H 1.985 0.004 2 141 195 26 GLN HG2 H 2.078 0.02 2 142 195 26 GLN HE21 H 7.380 0.02 2 143 195 26 GLN HE22 H 6.671 0.02 2 144 196 27 THR H H 7.632 0.003 1 145 196 27 THR HA H 4.413 0.003 1 146 196 27 THR HB H 3.930 0.001 1 147 196 27 THR HG2 H 0.865 0.003 1 148 197 28 THR H H 8.056 0.02 1 149 197 28 THR HA H 5.298 0.02 1 150 197 28 THR HB H 3.747 0.02 1 151 197 28 THR HG2 H 0.897 0.02 1 152 198 29 THR H H 9.007 0.02 1 153 198 29 THR HA H 4.633 0.02 1 154 198 29 THR HB H 4.528 0.02 1 155 198 29 THR HG2 H 1.361 0.02 1 156 199 30 TRP H H 8.518 0.02 1 157 199 30 TRP HA H 4.886 0.02 1 158 199 30 TRP HB2 H 3.476 0.02 2 159 199 30 TRP HB3 H 2.987 0.02 2 160 199 30 TRP HD1 H 7.185 0.008 1 161 199 30 TRP HE1 H 10.046 0.02 1 162 199 30 TRP HE3 H 7.953 0.02 1 163 199 30 TRP HZ2 H 7.146 0.02 1 164 199 30 TRP HZ3 H 6.664 0.02 1 165 199 30 TRP HH2 H 6.796 0.02 1 166 200 31 GLN H H 8.453 0.02 1 167 200 31 GLN HA H 4.017 0.02 1 168 200 31 GLN HB2 H 1.893 0.02 2 169 200 31 GLN HB3 H 1.813 0.02 2 170 200 31 GLN HG2 H 2.064 0.02 2 171 200 31 GLN HG3 H 1.954 0.02 2 172 200 31 GLN HE21 H 7.004 0.02 2 173 200 31 GLN HE22 H 6.802 0.02 2 174 201 32 ASP H H 8.083 0.02 1 175 201 32 ASP HA H 2.364 0.02 1 176 201 32 ASP HB2 H 2.061 0.02 2 177 201 32 ASP HB3 H 1.963 0.02 2 178 202 33 PRO HA H 3.786 0.003 1 179 202 33 PRO HB2 H 0.335 0.007 2 180 202 33 PRO HB3 H 0.124 0.02 2 181 202 33 PRO HG2 H 0.647 0.02 2 182 202 33 PRO HG3 H 0.583 0.001 2 183 202 33 PRO HD2 H 2.372 0.02 2 184 202 33 PRO HD3 H 2.249 0.02 2 185 203 34 ARG H H 8.145 0.02 1 186 203 34 ARG HA H 3.718 0.02 1 187 203 34 ARG HB2 H 1.614 0.002 2 188 203 34 ARG HB3 H 1.553 0.02 2 189 203 34 ARG HG2 H 1.473 0.02 2 190 203 34 ARG HG3 H 0.971 0.02 2 191 203 34 ARG HD2 H 2.764 0.004 2 192 203 34 ARG HD3 H 2.478 0.005 2 193 203 34 ARG HE H 8.739 0.02 1 194 204 35 LYS H H 6.954 0.02 1 195 204 35 LYS HA H 3.735 0.02 1 196 204 35 LYS HB2 H 1.535 0.02 2 197 204 35 LYS HG2 H 1.370 0.02 2 198 204 35 LYS HD2 H 1.065 0.02 2 199 205 36 ALA H H 6.940 0.02 1 200 205 36 ALA HA H 3.762 0.02 1 201 205 36 ALA HB H 0.487 0.02 1 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 HA2 H 4.077 0.02 2 2 204 1 GLY HA3 H 4.077 0.02 2 3 204 1 GLY H H 8.132 0.02 1 4 206 3 SER HA H 4.441 0.02 1 5 206 3 SER HB2 H 4.024 0.02 2 6 207 4 PRO HA H 4.466 0.02 1 7 207 4 PRO HB2 H 2.090 0.02 2 8 207 4 PRO HG2 H 1.800 0.02 2 9 207 4 PRO HD2 H 3.576 0.02 2 10 207 4 PRO HD3 H 3.371 0.005 2 11 210 7 PRO HA H 4.268 0.02 1 12 210 7 PRO HG2 H 1.031 0.02 2 13 211 8 TYR H H 7.860 0.003 1 14 211 8 TYR HA H 4.131 0.02 1 15 211 8 TYR HB2 H 2.803 0.001 2 16 211 8 TYR HB3 H 2.771 0.02 2 17 211 8 TYR HD1 H 6.870 0.004 3 18 211 8 TYR HD2 H 6.870 0.004 3 19 211 8 TYR HE1 H 6.429 0.003 3 20 211 8 TYR HE2 H 6.429 0.003 3 21 213 10 ARG H H 8.221 0.02 1 22 213 10 ARG HA H 4.082 0.02 1 23 213 10 ARG HB2 H 1.509 0.073 2 24 213 10 ARG HB3 H 1.353 0.02 2 25 213 10 ARG HG2 H 1.449 0.02 2 26 213 10 ARG HG3 H 1.333 0.02 2 27 213 10 ARG HD2 H 2.942 0.005 2 28 214 11 TYR H H 7.969 0.02 1 29 214 11 TYR HA H 4.594 0.002 1 30 214 11 TYR HB2 H 2.896 0.02 2 31 214 11 TYR HB3 H 2.578 0.02 2 32 214 11 TYR HD1 H 6.944 0.003 3 33 214 11 TYR HD2 H 6.944 0.003 3 34 214 11 TYR HE1 H 6.594 0.02 3 35 214 11 TYR HE2 H 6.594 0.02 3 36 215 12 PRO HA H 4.116 0.02 1 37 215 12 PRO HB2 H 1.995 0.02 2 38 215 12 PRO HG2 H 1.633 0.02 2 39 215 12 PRO HD2 H 3.551 0.02 2 40 215 12 PRO HD3 H 3.373 0.013 2 stop_ save_