data_11007 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; FBP28WW2 domain in complex with PTPPPLPP peptide ; _BMRB_accession_number 11007 _BMRB_flat_file_name bmr11007.str _Entry_type original _Submission_date 2007-09-03 _Accession_date 2007-09-03 _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 Ramirez-Espain Ximena . . 2 Ruiz Lidia . . 3 Martin-Malpartida Pau . . 4 Oschkinat Hartmut . . 5 Macias Maria J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 245 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity names' 2008-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_FBP28WW2-PTPPPLPP _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of a new binding motif and a novel binding mode in group 2 WW domains' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17915251 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramirez-Espain Ximena . . 2 Ruiz Lidia . . 3 Martin-Malpartida Pau . . 4 Oschkinat Hartmut . . 5 Macias Maria J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 373 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1255 _Page_last 1268 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FBP28WW2-PTPPPLPP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FBP28WW2 $entity_1 PTPPPLPP $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FBP28WW2 _Molecular_mass 4365.766 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; GATAVSEWTEYKTADGKTYY YNNRTLESTWEKPQELK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 THR 4 ALA 5 VAL 6 SER 7 GLU 8 TRP 9 THR 10 GLU 11 TYR 12 LYS 13 THR 14 ALA 15 ASP 16 GLY 17 LYS 18 THR 19 TYR 20 TYR 21 TYR 22 ASN 23 ASN 24 ARG 25 THR 26 LEU 27 GLU 28 SER 29 THR 30 TRP 31 GLU 32 LYS 33 PRO 34 GLN 35 GLU 36 LEU 37 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 11008 FBP28WW2 100.00 37 100.00 100.00 1.55e-16 BMRB 15453 FBP28WW2 100.00 37 100.00 100.00 1.55e-16 BMRB 25309 entity 100.00 37 97.30 97.30 1.69e-15 BMRB 25310 entity 100.00 37 97.30 97.30 1.17e-15 BMRB 25311 entity 100.00 37 97.30 100.00 8.68e-16 BMRB 25678 entity 100.00 37 97.30 97.30 2.47e-15 BMRB 25679 entity 100.00 37 97.30 97.30 2.49e-15 BMRB 25680 entity 100.00 37 97.30 97.30 2.41e-15 BMRB 25681 entity 100.00 37 97.30 97.30 2.08e-15 BMRB 25682 entity 100.00 37 97.30 97.30 9.16e-16 BMRB 25683 entity 100.00 37 97.30 97.30 1.71e-15 BMRB 4714 "Formin binding WW domain" 100.00 40 100.00 100.00 1.18e-16 PDB 1E0L "Fbp28ww Domain From Mus Musculus" 100.00 37 100.00 100.00 1.55e-16 PDB 2JUP "Fbp28ww2 Domain In Complex With The Pplipppp Peptide" 100.00 37 100.00 100.00 1.55e-16 PDB 2MW9 "Nmr Structure Of Fbp28 Ww2 Y438r Mutant" 100.00 37 97.30 97.30 1.69e-15 PDB 2MWA "Nmr Structure Of Fbp28 Ww2 Mutant Y446l" 100.00 37 97.30 97.30 1.17e-15 PDB 2MWB "Fbp28 Ww2 Mutant W457f" 100.00 37 97.30 100.00 8.68e-16 PDB 2N4R "Nmr Structure Of Fbp28 Ww Domain L453d Mutant" 100.00 37 97.30 97.30 2.47e-15 PDB 2N4S "Nmr Structure Of Fbp28 Ww Domain L453e Mutant" 100.00 37 97.30 97.30 2.49e-15 PDB 2N4T "Nmr Structure Of Fbp28 Ww Domain L453w Mutant" 100.00 37 97.30 97.30 2.41e-15 PDB 2N4U "Nmr Structure Of Fbp28 Ww Domain E454y Mutant" 100.00 37 97.30 97.30 2.08e-15 PDB 2N4V "Nmr Structure Of Fbp28 Ww Domain T456d Mutant" 100.00 37 97.30 97.30 9.16e-16 PDB 2N4W "Nmr Structure Of Fbp28 Ww Domain T456y Mutant" 100.00 37 97.30 97.30 1.71e-15 PDB 2NNT "General Structural Motifs Of Amyloid Protofilaments" 100.00 40 97.30 100.00 2.21e-16 PDB 2RLY "Fbp28ww2 Domain In Complex With Ptppplpp Peptide" 100.00 37 100.00 100.00 1.55e-16 PDB 2RM0 "Fbp28ww2 Domain In Complex With A Ppplipppp Peptide" 100.00 37 100.00 100.00 1.55e-16 GB AAC52477 "FBP 28, partial [Mus musculus]" 70.27 26 100.00 100.00 1.14e-08 GB EGW05321 "Transcription elongation regulator 1 [Cricetulus griseus]" 100.00 414 100.00 100.00 2.44e-16 GB EHB12574 "Transcription elongation regulator 1-like protein [Heterocephalus glaber]" 100.00 967 100.00 100.00 6.91e-16 GB ELW66441 "Transcription elongation regulator 1, partial [Tupaia chinensis]" 100.00 1001 100.00 100.00 5.07e-16 GB EMP40899 "Transcription elongation regulator 1 [Chelonia mydas]" 100.00 945 97.30 100.00 1.46e-15 REF XP_004697122 "PREDICTED: transcription elongation regulator 1 [Echinops telfairi]" 100.00 1004 100.00 100.00 6.10e-16 REF XP_006977759 "PREDICTED: transcription elongation regulator 1 [Peromyscus maniculatus bairdii]" 100.00 1057 100.00 100.00 4.88e-16 REF XP_007653449 "PREDICTED: uncharacterized protein LOC100076344 [Ornithorhynchus anatinus]" 100.00 774 100.00 100.00 8.82e-16 REF XP_008253407 "PREDICTED: transcription elongation regulator 1 isoform X9 [Oryctolagus cuniculus]" 100.00 770 100.00 100.00 9.58e-16 REF XP_008926141 "PREDICTED: transcription elongation regulator 1 [Manacus vitellinus]" 100.00 814 100.00 100.00 6.10e-16 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTPPPLPP _Molecular_mass 821.025 _Mol_thiol_state 'not present' _Details . _Residue_count 8 _Mol_residue_sequence PTPPPLPP loop_ _Residue_seq_code _Residue_label 1 PRO 2 THR 3 PRO 4 PRO 5 PRO 6 LEU 7 PRO 8 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus $entity_2 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . petm30 $entity_2 'chemical synthesis' . . . . 'no applicable' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' $entity_2 3 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' $entity_2 3 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 15N]' $entity_2 3 mM 'natural abundance' 'sodium phosphate' 100 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _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_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure display' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 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' 0.100 . M pH 5.8 . pH pressure 1 . atm temperature 285 . 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 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FBP28WW2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY H H 8.332 0.000 1 2 1 1 GLY HA2 H 3.740 0.000 2 3 2 2 ALA H H 8.094 0.000 1 4 2 2 ALA HA H 4.152 0.000 1 5 2 2 ALA HB H 1.185 0.002 1 6 3 3 THR H H 8.054 0.000 1 7 3 3 THR HA H 4.090 0.000 1 8 3 3 THR HB H 3.984 0.000 1 9 3 3 THR HG2 H 0.988 0.002 1 10 4 4 ALA H H 8.184 0.000 1 11 4 4 ALA HA H 4.154 0.004 1 12 4 4 ALA HB H 1.173 0.002 1 13 5 5 VAL H H 8.050 0.000 1 14 5 5 VAL HA H 3.898 0.002 1 15 5 5 VAL HB H 1.855 0.004 1 16 5 5 VAL HG1 H 0.734 0.002 1 17 6 6 SER H H 8.258 0.002 1 18 6 6 SER HA H 4.302 0.001 1 19 6 6 SER HB2 H 3.807 0.002 1 20 6 6 SER HB3 H 3.689 0.000 1 21 7 7 GLU H H 8.672 0.000 1 22 7 7 GLU HA H 4.010 0.002 1 23 7 7 GLU HB2 H 1.710 0.002 1 24 7 7 GLU HB3 H 1.622 0.002 1 25 7 7 GLU HG2 H 1.836 0.002 2 26 8 8 TRP H H 8.081 0.001 1 27 8 8 TRP HA H 5.130 0.000 1 28 8 8 TRP HB2 H 2.910 0.001 1 29 8 8 TRP HB3 H 2.734 0.002 1 30 8 8 TRP HD1 H 7.009 0.002 1 31 8 8 TRP HE1 H 10.079 0.002 1 32 8 8 TRP HE3 H 7.152 0.000 1 33 8 8 TRP HZ2 H 7.312 0.000 1 34 8 8 TRP HZ3 H 6.781 0.000 1 35 8 8 TRP HH2 H 6.915 0.000 1 36 9 9 THR H H 9.193 0.000 1 37 9 9 THR HA H 4.349 0.000 1 38 9 9 THR HB H 3.760 0.002 1 39 9 9 THR HG2 H 0.725 0.000 1 40 10 10 GLU H H 8.349 0.000 1 41 10 10 GLU HA H 4.245 0.000 1 42 10 10 GLU HB2 H 1.613 0.002 2 43 10 10 GLU HG2 H 1.656 0.003 2 44 11 11 TYR H H 8.432 0.002 1 45 11 11 TYR HA H 4.253 0.000 1 46 11 11 TYR HB2 H 2.298 0.002 1 47 11 11 TYR HB3 H 0.760 0.000 1 48 11 11 TYR HD1 H 6.621 0.000 3 49 11 11 TYR HD2 H 6.621 0.000 3 50 11 11 TYR HE1 H 6.435 0.000 3 51 11 11 TYR HE2 H 6.435 0.000 3 52 12 12 LYS H H 7.975 0.000 1 53 12 12 LYS HA H 5.364 0.000 1 54 12 12 LYS HB2 H 1.423 0.006 1 55 12 12 LYS HB3 H 1.160 0.002 1 56 12 12 LYS HG2 H 1.504 0.002 2 57 12 12 LYS HE2 H 2.675 0.002 2 58 13 13 THR H H 9.157 0.000 1 59 13 13 THR HA H 4.625 0.000 1 60 13 13 THR HB H 4.472 0.002 1 61 13 13 THR HG2 H 1.365 0.000 1 62 14 14 ALA H H 9.132 0.000 1 63 14 14 ALA HA H 3.969 0.000 1 64 14 14 ALA HB H 1.309 0.002 1 65 15 15 ASP H H 7.899 0.000 1 66 15 15 ASP HA H 4.479 0.000 1 67 15 15 ASP HB2 H 2.652 0.000 1 68 15 15 ASP HB3 H 2.458 0.000 1 69 16 16 GLY H H 7.820 0.000 1 70 16 16 GLY HA2 H 3.988 0.000 1 71 16 16 GLY HA3 H 3.447 0.002 1 72 17 17 LYS H H 7.824 0.000 1 73 17 17 LYS HA H 4.357 0.000 1 74 17 17 LYS HB2 H 1.833 0.002 1 75 17 17 LYS HB3 H 1.330 0.299 1 76 17 17 LYS HG2 H 1.385 0.002 2 77 17 17 LYS HD2 H 1.118 0.000 2 78 17 17 LYS HE2 H 2.503 0.000 2 79 18 18 THR H H 8.632 0.000 1 80 18 18 THR HA H 4.842 0.000 1 81 18 18 THR HB H 3.758 0.002 1 82 18 18 THR HG2 H 0.710 0.000 1 83 19 19 TYR H H 8.732 0.000 1 84 19 19 TYR HA H 4.612 0.000 1 85 19 19 TYR HB2 H 2.363 0.000 1 86 19 19 TYR HB3 H 2.117 0.000 1 87 19 19 TYR HD1 H 6.591 0.000 3 88 19 19 TYR HD2 H 6.591 0.000 3 89 19 19 TYR HE1 H 6.003 0.000 3 90 19 19 TYR HE2 H 6.003 0.000 3 91 20 20 TYR H H 8.796 0.002 1 92 20 20 TYR HA H 5.030 0.000 1 93 20 20 TYR HB2 H 2.560 0.000 1 94 20 20 TYR HB3 H 2.488 0.000 1 95 20 20 TYR HD1 H 6.528 0.001 3 96 20 20 TYR HD2 H 6.528 0.001 3 97 20 20 TYR HE1 H 6.493 0.000 3 98 20 20 TYR HE2 H 6.493 0.000 3 99 21 21 TYR H H 9.214 0.000 1 100 21 21 TYR HA H 5.588 0.000 1 101 21 21 TYR HB2 H 2.762 0.000 1 102 21 21 TYR HB3 H 2.692 0.000 1 103 21 21 TYR HD1 H 6.838 0.000 3 104 21 21 TYR HD2 H 6.838 0.000 3 105 21 21 TYR HE1 H 6.414 0.000 3 106 21 21 TYR HE2 H 6.414 0.000 3 107 22 22 ASN H H 8.025 0.000 1 108 22 22 ASN HA H 4.157 0.002 1 109 22 22 ASN HB2 H 2.146 0.002 1 110 22 22 ASN HB3 H -0.141 0.002 1 111 23 23 ASN H H 8.244 0.000 1 112 23 23 ASN HA H 3.908 0.001 1 113 23 23 ASN HB2 H 2.620 0.002 1 114 23 23 ASN HB3 H 2.524 0.002 1 115 23 23 ASN HD21 H 7.182 0.002 1 116 23 23 ASN HD22 H 6.974 0.002 1 117 24 24 ARG H H 8.393 0.001 1 118 24 24 ARG HA H 4.069 0.000 1 119 24 24 ARG HB2 H 1.724 0.002 1 120 24 24 ARG HB3 H 1.416 0.004 1 121 24 24 ARG HG2 H 1.250 0.001 1 122 24 24 ARG HG3 H 1.049 0.004 1 123 24 24 ARG HD2 H 3.048 0.001 1 124 24 24 ARG HD3 H 2.785 0.002 1 125 24 24 ARG HE H 7.830 0.000 1 126 25 25 THR H H 7.755 0.000 1 127 25 25 THR HA H 3.753 0.002 1 128 25 25 THR HB H 3.990 0.002 1 129 25 25 THR HG2 H 0.718 0.002 1 130 26 26 LEU H H 7.614 0.002 1 131 26 26 LEU HA H 3.557 0.000 1 132 26 26 LEU HB2 H 1.897 0.005 1 133 26 26 LEU HB3 H 1.498 0.002 1 134 26 26 LEU HD1 H 0.632 0.003 1 135 26 26 LEU HD2 H 0.540 0.002 1 136 26 26 LEU HG H 1.069 0.002 1 137 27 27 GLU H H 6.940 0.000 1 138 27 27 GLU HA H 4.090 0.000 1 139 27 27 GLU HB2 H 1.658 0.000 1 140 27 27 GLU HB3 H 1.552 0.002 1 141 27 27 GLU HG2 H 2.056 0.002 1 142 27 27 GLU HG3 H 1.893 0.002 1 143 28 28 SER H H 8.229 0.002 1 144 28 28 SER HA H 5.849 0.002 1 145 28 28 SER HB2 H 3.462 0.001 2 146 29 29 THR H H 9.329 0.000 1 147 29 29 THR HA H 4.696 0.000 1 148 29 29 THR HB H 4.094 0.000 1 149 29 29 THR HG2 H 1.088 0.000 1 150 30 30 TRP H H 8.163 0.000 1 151 30 30 TRP HA H 4.902 0.000 1 152 30 30 TRP HB2 H 3.449 0.000 1 153 30 30 TRP HB3 H 3.028 0.000 1 154 30 30 TRP HD1 H 7.220 0.002 1 155 30 30 TRP HE1 H 9.936 0.004 1 156 30 30 TRP HE3 H 8.010 0.000 1 157 30 30 TRP HZ2 H 7.112 0.000 1 158 30 30 TRP HZ3 H 6.660 0.000 1 159 30 30 TRP HH2 H 6.859 0.000 1 160 31 31 GLU H H 8.044 0.000 1 161 31 31 GLU HA H 4.097 0.000 1 162 31 31 GLU HB2 H 1.616 0.002 1 163 31 31 GLU HB3 H 1.509 0.000 1 164 31 31 GLU HG2 H 1.955 0.002 1 165 32 32 LYS H H 8.230 0.000 1 166 32 32 LYS HA H 2.440 0.002 1 167 32 32 LYS HB2 H 1.156 0.002 1 168 32 32 LYS HB3 H 0.818 0.008 1 169 32 32 LYS HG2 H 0.344 0.002 2 170 32 32 LYS HE2 H 2.494 0.002 2 171 33 33 PRO HA H 3.715 0.004 1 172 33 33 PRO HB2 H 1.027 0.001 1 173 33 33 PRO HB3 H 0.872 0.002 1 174 33 33 PRO HG2 H 0.096 0.002 1 175 33 33 PRO HG3 H -0.138 0.007 1 176 33 33 PRO HD2 H 2.414 0.002 1 177 33 33 PRO HD3 H 1.967 0.002 1 178 34 34 GLN H H 8.358 0.002 1 179 34 34 GLN HA H 3.544 0.000 1 180 34 34 GLN HB2 H 1.808 0.002 1 181 34 34 GLN HB3 H 1.747 0.000 1 182 34 34 GLN HG2 H 2.146 0.003 2 183 34 34 GLN HE21 H 7.408 0.000 1 184 34 34 GLN HE22 H 6.706 0.000 1 185 35 35 GLU H H 8.903 0.001 1 186 35 35 GLU HA H 3.911 0.000 1 187 35 35 GLU HB2 H 1.840 0.002 1 188 35 35 GLU HB3 H 1.800 0.027 1 189 35 35 GLU HG2 H 2.108 0.004 2 190 36 36 LEU H H 7.344 0.002 1 191 36 36 LEU HA H 4.214 0.000 1 192 36 36 LEU HB2 H 1.147 0.000 1 193 36 36 LEU HB3 H 1.040 0.000 1 194 36 36 LEU HD1 H 0.675 0.002 1 195 36 36 LEU HD2 H 0.594 0.000 1 196 36 36 LEU HG H 1.407 0.001 1 197 37 37 LYS H H 7.428 0.000 1 198 37 37 LYS HA H 3.727 0.000 1 199 37 37 LYS HB2 H 1.591 0.010 2 200 37 37 LYS HB3 H 1.498 0.004 2 201 37 37 LYS HG2 H 1.098 0.077 2 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PTPPPLPP _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 1 103 1 PRO HA H 4.176 0.000 1 2 103 1 PRO HB2 H 1.727 0.056 1 3 103 1 PRO HB3 H 1.626 0.008 1 4 103 1 PRO HG2 H 2.013 0.001 1 5 103 1 PRO HG3 H 1.771 0.003 1 6 103 1 PRO HD2 H 3.538 0.005 1 7 103 1 PRO HD3 H 3.370 0.007 1 8 104 2 THR H H 8.329 0.000 1 9 104 2 THR HA H 4.296 0.000 1 10 104 2 THR HB H 3.794 0.000 1 11 104 2 THR HG2 H 1.008 0.000 1 12 105 3 PRO HA H 4.252 0.000 1 13 105 3 PRO HB2 H 1.535 0.000 2 14 105 3 PRO HG2 H 2.085 0.000 2 15 105 3 PRO HD2 H 3.514 0.006 1 16 105 3 PRO HD3 H 3.357 0.010 1 17 106 4 PRO HA H 4.648 0.001 1 18 106 4 PRO HB2 H 2.058 0.000 2 19 106 4 PRO HG2 H 1.672 0.000 2 20 106 4 PRO HD2 H 3.538 0.008 1 21 106 4 PRO HD3 H 3.284 0.000 1 22 107 5 PRO HA H 4.308 0.026 1 23 107 5 PRO HB2 H 2.037 0.000 2 24 107 5 PRO HB3 H 2.031 0.000 2 25 107 5 PRO HG2 H 1.748 0.000 1 26 107 5 PRO HG3 H 1.688 0.008 1 27 107 5 PRO HD2 H 3.571 0.000 1 28 107 5 PRO HD3 H 3.323 0.000 1 29 108 6 LEU H H 8.167 0.000 1 30 108 6 LEU HA H 4.042 0.004 1 31 108 6 LEU HB2 H 1.251 0.004 1 32 108 6 LEU HD1 H 0.877 0.004 1 33 108 6 LEU HD2 H 0.716 0.000 1 34 108 6 LEU HG H 1.299 0.002 1 35 109 7 PRO HB2 H 2.031 0.000 1 36 109 7 PRO HG2 H 1.448 0.000 1 37 109 7 PRO HG3 H 1.388 0.008 1 38 109 7 PRO HD2 H 3.571 0.000 1 39 109 7 PRO HD3 H 3.223 0.000 1 40 110 8 PRO HA H 4.308 0.026 1 41 110 8 PRO HB2 H 1.832 0.000 2 42 110 8 PRO HG2 H 1.630 0.000 2 43 110 8 PRO HD2 H 3.222 0.000 1 44 110 8 PRO HD3 H 3.157 0.000 1 stop_ save_