data_16750 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone chemical shifts assignments of acid-denatured c-src SH3 with increasing urea concentration ; _BMRB_accession_number 16750 _BMRB_flat_file_name bmr16750.str _Entry_type original _Submission_date 2010-03-03 _Accession_date 2010-03-03 _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 Poulsen Flemming M. . 2 Roesner Heike I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 6 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 372 "13C chemical shifts" 762 "15N chemical shifts" 372 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-03 original author . stop_ _Original_release_date 2010-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Residue-specific description of non-native transient structures in the ensemble of acid-denatured structures of the all-beta protein c-src SH3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20218679 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rosner Heike I. . 2 Poulsen Flemming M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3246 _Page_last 3253 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'c-src SH3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label c-src_SH3 $c-src_SH3 stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_c-src_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common c-src_SH3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MVTTFVALYDYESRTETDLS FKKGERLQIVNNTEGDWWLA HSLTTGQTGYIPSNYVAPSN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 GLY 3 -12 SER 4 -11 SER 5 -10 HIS 6 -9 HIS 7 -8 HIS 8 -7 HIS 9 -6 HIS 10 -5 HIS 11 -4 SER 12 -3 SER 13 -2 GLY 14 -1 LEU 15 0 VAL 16 1 PRO 17 2 ARG 18 3 GLY 19 4 SER 20 5 HIS 21 6 MET 22 7 VAL 23 8 THR 24 9 THR 25 10 PHE 26 11 VAL 27 12 ALA 28 13 LEU 29 14 TYR 30 15 ASP 31 16 TYR 32 17 GLU 33 18 SER 34 19 ARG 35 20 THR 36 21 GLU 37 22 THR 38 23 ASP 39 24 LEU 40 25 SER 41 26 PHE 42 27 LYS 43 28 LYS 44 29 GLY 45 30 GLU 46 31 ARG 47 32 LEU 48 33 GLN 49 34 ILE 50 35 VAL 51 36 ASN 52 37 ASN 53 38 THR 54 39 GLU 55 40 GLY 56 41 ASP 57 42 TRP 58 43 TRP 59 44 LEU 60 45 ALA 61 46 HIS 62 47 SER 63 48 LEU 64 49 THR 65 50 THR 66 51 GLY 67 52 GLN 68 53 THR 69 54 GLY 70 55 TYR 71 56 ILE 72 57 PRO 73 58 SER 74 59 ASN 75 60 TYR 76 61 VAL 77 62 ALA 78 63 PRO 79 64 SER 80 65 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 3433 "Src tyrosine kinase" 72.50 64 100.00 100.00 5.84e-34 PDB 1PRL "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 72.50 64 100.00 100.00 3.51e-34 PDB 1PRM "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 72.50 64 100.00 100.00 3.51e-34 PDB 1RLP "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 72.50 64 100.00 100.00 3.51e-34 PDB 1RLQ "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" 72.50 64 100.00 100.00 3.51e-34 PDB 1SRL "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" 72.50 64 100.00 100.00 3.51e-34 PDB 1SRM "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" 72.50 64 100.00 100.00 3.51e-34 PDB 2PTK "Chicken Src Tyrosine Kinase" 73.75 453 98.31 100.00 2.48e-32 PDB 3FJ5 "Crystal Structure Of The C-Src-Sh3 Domain" 70.00 57 98.21 100.00 3.25e-32 EMBL CAA23696 "pp60-c-src protein [Gallus gallus]" 73.75 533 98.31 100.00 1.28e-31 EMBL CAA36156 "src protein [Avian sarcoma virus]" 73.75 587 98.31 100.00 3.13e-31 GB AAA42565 "src-p60 phosphoprotein [Rous sarcoma virus]" 73.75 526 98.31 100.00 1.13e-31 GB AAA42583 "p66-src protein [Rous sarcoma virus]" 73.75 587 98.31 100.00 3.13e-31 GB AAA49078 "pp60c-scr [Gallus gallus]" 73.75 193 98.31 100.00 1.37e-33 GB AAC37877 "protein-tyrosine kinase [Avian sarcoma virus PR2257/16]" 73.75 587 98.31 100.00 2.97e-31 GB AAD24180 "tyrosine protein kinase pp60-c-src [Rattus norvegicus]" 71.25 536 98.25 100.00 1.51e-30 REF NP_990788 "proto-oncogene tyrosine-protein kinase Src [Gallus gallus]" 73.75 533 98.31 100.00 1.28e-31 REF XP_001372060 "PREDICTED: proto-oncogene tyrosine-protein kinase Src isoform X2 [Monodelphis domestica]" 73.75 533 98.31 100.00 1.40e-31 REF XP_002191434 "PREDICTED: proto-oncogene tyrosine-protein kinase Src isoform X2 [Taeniopygia guttata]" 73.75 533 98.31 100.00 1.22e-31 REF XP_003212004 "PREDICTED: proto-oncogene tyrosine-protein kinase Src [Meleagris gallopavo]" 73.75 533 98.31 100.00 1.39e-31 REF XP_005057157 "PREDICTED: proto-oncogene tyrosine-protein kinase Src isoform X3 [Ficedula albicollis]" 73.75 557 98.31 100.00 1.25e-31 SP P00523 "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" 73.75 533 98.31 100.00 1.28e-31 SP P00524 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 73.75 526 98.31 100.00 1.13e-31 SP P00525 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 73.75 526 98.31 100.00 1.13e-31 SP P14084 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 73.75 568 98.31 100.00 1.43e-31 SP P14085 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 73.75 557 98.31 100.00 1.75e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $c-src_SH3 chicken 9031 Eukaryota Metazoa Gallus gallus 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 $c-src_SH3 'recombinant technology' . Escherichia coli . pET_csrcSH3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 3 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 2 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 4 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 6 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 8 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $c-src_SH3 0.2 mM '[U-13C; U-15N]' 'sodium phosphate' 250 mM 'natural abundance' urea 9.5 M 'natural abundance' DSS 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_5 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_3D_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_6 save_ save_3D_HNCA_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_6 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' 0.25 . M pH 2.0 . pH pressure 1 . atm temperature 298 . 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 HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 176.91 . 1 2 1 16 PRO CA C 63.13 . 1 3 2 17 ARG H H 8.51 . 1 4 2 17 ARG C C 177.07 . 1 5 2 17 ARG CA C 56.52 . 1 6 2 17 ARG N N 122.24 . 1 7 3 18 GLY H H 8.49 . 1 8 3 18 GLY C C 174.09 . 1 9 3 18 GLY CA C 58.16 . 1 10 3 18 GLY N N 122.03 . 1 11 4 19 SER H H 8.21 . 1 12 4 19 SER C C 174.45 . 1 13 4 19 SER CA C 58.38 . 1 14 4 19 SER N N 115.45 . 1 15 5 20 HIS H H 8.64 . 1 16 5 20 HIS C C 174.09 . 1 17 5 20 HIS CA C 55.29 . 1 18 5 20 HIS N N 120.37 . 1 19 6 21 MET H H 8.43 . 1 20 6 21 MET C C 175.93 . 1 21 6 21 MET CA C 55.67 . 1 22 6 21 MET N N 122.28 . 1 23 7 22 VAL H H 8.34 . 1 24 7 22 VAL C C 176.26 . 1 25 7 22 VAL CA C 62.32 . 1 26 7 22 VAL N N 122.36 . 1 27 8 23 THR H H 8.31 . 1 28 8 23 THR C C 174.43 . 1 29 8 23 THR CA C 61.74 . 1 30 8 23 THR N N 118.44 . 1 31 9 24 THR H H 8.09 . 1 32 9 24 THR C C 173.93 . 1 33 9 24 THR CA C 61.77 . 1 34 9 24 THR N N 116.7 . 1 35 10 25 PHE H H 8.29 . 1 36 10 25 PHE C C 175.33 . 1 37 10 25 PHE CA C 58.04 . 1 38 10 25 PHE N N 123.19 . 1 39 11 26 VAL H H 7.98 . 1 40 11 26 VAL C C 175.19 . 1 41 11 26 VAL CA C 62.28 . 1 42 11 26 VAL N N 123.36 . 1 43 12 27 ALA H H 8.19 . 1 44 12 27 ALA C C 177.47 . 1 45 12 27 ALA CA C 52.56 . 1 46 12 27 ALA N N 115.97 . 1 47 13 28 LEU H H 8.05 . 1 48 13 28 LEU C C 177.11 . 1 49 13 28 LEU CA C 55.51 . 1 50 13 28 LEU N N 121.36 . 1 51 14 29 TYR H H 8 . 1 52 14 29 TYR C C 175.67 . 1 53 14 29 TYR CA C 57.82 . 1 54 14 29 TYR N N 119.73 . 1 55 15 30 ASP H H 8.27 . 1 56 15 30 ASP C C 174.87 . 1 57 15 30 ASP CA C 52.97 . 1 58 15 30 ASP N N 120.43 . 1 59 16 31 TYR H H 7.99 . 1 60 16 31 TYR C C 173.75 . 1 61 16 31 TYR CA C 58.68 . 1 62 16 31 TYR N N 120.79 . 1 63 17 32 GLU H H 8.12 . 1 64 17 32 GLU C C 175.93 . 1 65 17 32 GLU CA C 56.07 . 1 66 17 32 GLU N N 121.02 . 1 67 18 33 SER H H 8.15 . 1 68 18 33 SER C C 174.86 . 1 69 18 33 SER CA C 58.6 . 1 70 18 33 SER N N 116.28 . 1 71 19 34 ARG H H 8.34 . 1 72 19 34 ARG C C 176.61 . 1 73 19 34 ARG CA C 56.64 . 1 74 19 34 ARG N N 122.79 . 1 75 20 35 THR H H 8.09 . 1 76 20 35 THR C C 174.73 . 1 77 20 35 THR CA C 62.23 . 1 78 20 35 THR N N 125.84 . 1 79 21 36 GLU H H 8.31 . 1 80 21 36 GLU C C 176.25 . 1 81 21 36 GLU CA C 56.09 . 1 82 21 36 GLU N N 122.4 . 1 83 22 37 THR H H 8.18 . 1 84 22 37 THR C C 174.38 . 1 85 22 37 THR CA C 62.26 . 1 86 22 37 THR N N 114.89 . 1 87 23 38 ASP H H 8.45 . 1 88 23 38 ASP C C 175.21 . 1 89 23 38 ASP CA C 53.2 . 1 90 23 38 ASP N N 120.92 . 1 91 24 39 LEU H H 8.18 . 1 92 24 39 LEU C C 177.37 . 1 93 24 39 LEU CA C 55.58 . 1 94 24 39 LEU N N 122.56 . 1 95 25 40 SER H H 8.11 . 1 96 25 40 SER C C 174.25 . 1 97 25 40 SER CA C 58.54 . 1 98 25 40 SER N N 115.67 . 1 99 26 41 PHE H H 8.09 . 1 100 26 41 PHE C C 175.64 . 1 101 26 41 PHE CA C 57.84 . 1 102 26 41 PHE N N 122.13 . 1 103 27 42 LYS H H 8.09 . 1 104 27 42 LYS C C 176.27 . 1 105 27 42 LYS CA C 56.25 . 1 106 27 42 LYS N N 122.96 . 1 107 28 43 LYS H H 8.3 . 1 108 28 43 LYS C C 177.17 . 1 109 28 43 LYS CA C 57.07 . 1 110 28 43 LYS N N 122.78 . 1 111 29 44 GLY H H 8.48 . 1 112 29 44 GLY C C 174.09 . 1 113 29 44 GLY CA C 58.16 . 1 114 29 44 GLY N N 121.97 . 1 115 30 45 GLU H H 8.08 . 1 116 30 45 GLU C C 175.86 . 1 117 30 45 GLU CA C 55.77 . 1 118 30 45 GLU N N 119.86 . 1 119 31 46 ARG H H 8.45 . 1 120 31 46 ARG C C 176 . 1 121 31 46 ARG CA C 56.19 . 1 122 31 46 ARG N N 122.7 . 1 123 32 47 LEU H H 8.29 . 1 124 32 47 LEU C C 177 . 1 125 32 47 LEU CA C 55.17 . 1 126 32 47 LEU N N 123.94 . 1 127 33 48 GLN H H 8.43 . 1 128 33 48 GLN C C 175.51 . 1 129 33 48 GLN CA C 55.69 . 1 130 33 48 GLN N N 122.08 . 1 131 34 49 ILE H H 8.22 . 1 132 34 49 ILE C C 176.12 . 1 133 34 49 ILE CA C 61.09 . 1 134 34 49 ILE N N 123.19 . 1 135 35 50 VAL H H 8.24 . 1 136 35 50 VAL C C 175.57 . 1 137 35 50 VAL CA C 62.16 . 1 138 35 50 VAL N N 124.62 . 1 139 36 51 ASN H H 8.49 . 1 140 36 51 ASN C C 174.87 . 1 141 36 51 ASN CA C 53.17 . 1 142 36 51 ASN N N 122.75 . 1 143 37 52 ASN H H 8.46 . 1 144 37 52 ASN C C 175.66 . 1 145 37 52 ASN CA C 53.49 . 1 146 37 52 ASN N N 119.9 . 1 147 38 53 THR H H 8.18 . 1 148 38 53 THR C C 174.96 . 1 149 38 53 THR CA C 62.33 . 1 150 38 53 THR N N 125.32 . 1 151 39 54 GLU H H 8.27 . 1 152 39 54 GLU C C 176.57 . 1 153 39 54 GLU CA C 56.4 . 1 154 39 54 GLU N N 121.76 . 1 155 40 55 GLY H H 8.31 . 1 156 40 55 GLY C C 174.22 . 1 157 40 55 GLY CA C 58.4 . 1 158 40 55 GLY N N 120.6 . 1 159 41 56 ASP H H 8.22 . 1 160 41 56 ASP C C 175.83 . 1 161 41 56 ASP CA C 52.67 . 1 162 41 56 ASP N N 119.03 . 1 163 42 57 TRP H H 7.91 . 1 164 42 57 TRP C C 176.87 . 1 165 42 57 TRP CA C 59.05 . 1 166 42 57 TRP N N 122.52 . 1 167 43 58 TRP H H 7.27 . 1 168 43 58 TRP C C 176.34 . 1 169 43 58 TRP CA C 58.54 . 1 170 43 58 TRP N N 119.59 . 1 171 44 59 LEU H H 7.28 . 1 172 44 59 LEU C C 177.28 . 1 173 44 59 LEU CA C 55.45 . 1 174 44 59 LEU N N 121.67 . 1 175 45 60 ALA H H 7.75 . 1 176 45 60 ALA C C 177.59 . 1 177 45 60 ALA CA C 52.9 . 1 178 45 60 ALA N N 122.42 . 1 179 46 61 HIS H H 8.14 . 1 180 46 61 HIS C C 174.3 . 1 181 46 61 HIS CA C 55.47 . 1 182 46 61 HIS N N 116.43 . 1 183 47 62 SER H H 8.18 . 1 184 47 62 SER C C 174.53 . 1 185 47 62 SER CA C 58.55 . 1 186 47 62 SER N N 116.25 . 1 187 48 63 LEU H H 8.36 . 1 188 48 63 LEU C C 177.73 . 1 189 48 63 LEU CA C 55.5 . 1 190 48 63 LEU N N 123.85 . 1 191 49 64 THR H H 8.18 . 1 192 49 64 THR C C 174.85 . 1 193 49 64 THR CA C 61.74 . 1 194 49 64 THR N N 125.57 . 1 195 50 65 THR H H 8.06 . 1 196 50 65 THR C C 175.02 . 1 197 50 65 THR CA C 62.16 . 1 198 50 65 THR N N 115.28 . 1 199 51 66 GLY H H 8.39 . 1 200 51 66 GLY C C 174.16 . 1 201 51 66 GLY CA C 58.16 . 1 202 51 66 GLY N N 122.71 . 1 203 52 67 GLN H H 8.24 . 1 204 52 67 GLN C C 176.35 . 1 205 52 67 GLN CA C 55.97 . 1 206 52 67 GLN N N 119.89 . 1 207 53 68 THR H H 8.28 . 1 208 53 68 THR C C 175.04 . 1 209 53 68 THR CA C 62.19 . 1 210 53 68 THR N N 115.09 . 1 211 54 69 GLY H H 8.38 . 1 212 54 69 GLY C C 178.9 . 1 213 54 69 GLY CA C 58.16 . 1 214 54 69 GLY N N 122.57 . 1 215 55 70 TYR H H 8.05 . 1 216 55 70 TYR C C 174.97 . 1 217 55 70 TYR CA C 58.05 . 1 218 55 70 TYR N N 120.69 . 1 219 56 71 ILE H H 7.98 . 1 220 56 71 ILE CA C 57.98 . 1 221 56 71 ILE N N 115.13 . 1 222 57 72 PRO C C 176.9 . 1 223 57 72 PRO CA C 58.37 . 1 224 58 73 SER H H 8.36 . 1 225 58 73 SER C C 174.44 . 1 226 58 73 SER CA C 63.09 . 1 227 58 73 SER N N 115.73 . 1 228 59 74 ASN H H 8.36 . 1 229 59 74 ASN C C 174.58 . 1 230 59 74 ASN CA C 53.17 . 1 231 59 74 ASN N N 119.96 . 1 232 60 75 TYR H H 8.04 . 1 233 60 75 TYR C C 174.98 . 1 234 60 75 TYR CA C 58.48 . 1 235 60 75 TYR N N 121.08 . 1 236 61 76 VAL H H 7.78 . 1 237 61 76 VAL C C 174.57 . 1 238 61 76 VAL CA C 61.43 . 1 239 61 76 VAL N N 125.6 . 1 240 62 77 ALA H H 8.27 . 1 241 62 77 ALA CA C 63.54 . 1 242 62 77 ALA N N 118.23 . 1 243 63 78 PRO C C 176.89 . 1 244 63 78 PRO CA C 63.07 . 1 245 64 79 SER H H 8.38 . 1 246 64 79 SER C C 174.09 . 1 247 64 79 SER CA C 58.77 . 1 248 64 79 SER N N 115.91 . 1 249 65 80 ASN H H 8.33 . 1 250 65 80 ASN CA C 52.07 . 1 251 65 80 ASN N N 120.9 . 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 176.9 . 1 2 1 16 PRO CA C 63.13 . 1 3 2 17 ARG H H 8.51 . 1 4 2 17 ARG C C 177.07 . 1 5 2 17 ARG CA C 56.55 . 1 6 2 17 ARG N N 122.24 . 1 7 3 18 GLY H H 8.5 . 1 8 3 18 GLY C C 174.07 . 1 9 3 18 GLY CA C 58.21 . 1 10 3 18 GLY N N 122.03 . 1 11 4 19 SER H H 8.22 . 1 12 4 19 SER C C 174.5 . 1 13 4 19 SER CA C 58.38 . 1 14 4 19 SER N N 115.45 . 1 15 5 20 HIS H H 8.66 . 1 16 5 20 HIS C C 174.13 . 1 17 5 20 HIS CA C 55.31 . 1 18 5 20 HIS N N 120.44 . 1 19 6 21 MET H H 8.46 . 1 20 6 21 MET C C 175.94 . 1 21 6 21 MET CA C 55.71 . 1 22 6 21 MET N N 122.34 . 1 23 7 22 VAL H H 8.36 . 1 24 7 22 VAL C C 176.25 . 1 25 7 22 VAL CA C 62.32 . 1 26 7 22 VAL N N 122.41 . 1 27 8 23 THR H H 8.33 . 1 28 8 23 THR C C 174.43 . 1 29 8 23 THR CA C 61.72 . 1 30 8 23 THR N N 118.48 . 1 31 9 24 THR H H 8.11 . 1 32 9 24 THR C C 173.92 . 1 33 9 24 THR CA C 61.75 . 1 34 9 24 THR N N 116.73 . 1 35 10 25 PHE H H 8.31 . 1 36 10 25 PHE C C 175.29 . 1 37 10 25 PHE CA C 58 . 1 38 10 25 PHE N N 123.27 . 1 39 11 26 VAL H H 8 . 1 40 11 26 VAL C C 175.16 . 1 41 11 26 VAL CA C 62.2 . 1 42 11 26 VAL N N 123.52 . 1 43 12 27 ALA H H 8.21 . 1 44 12 27 ALA C C 177.4 . 1 45 12 27 ALA CA C 52.46 . 1 46 12 27 ALA N N 116.17 . 1 47 13 28 LEU H H 8.08 . 1 48 13 28 LEU C C 177.08 . 1 49 13 28 LEU CA C 55.45 . 1 50 13 28 LEU N N 121.51 . 1 51 14 29 TYR H H 8.03 . 1 52 14 29 TYR C C 175.62 . 1 53 14 29 TYR CA C 57.76 . 1 54 14 29 TYR N N 119.84 . 1 55 15 30 ASP H H 8.29 . 1 56 15 30 ASP C C 174.81 . 1 57 15 30 ASP CA C 52.92 . 1 58 15 30 ASP N N 120.53 . 1 59 16 31 TYR H H 8 . 1 60 16 31 TYR C C 173.74 . 1 61 16 31 TYR CA C 58.61 . 1 62 16 31 TYR N N 120.87 . 1 63 17 32 GLU H H 8.13 . 1 64 17 32 GLU C C 175.88 . 1 65 17 32 GLU CA C 55.98 . 1 66 17 32 GLU N N 121.17 . 1 67 18 33 SER H H 8.18 . 1 68 18 33 SER C C 174.83 . 1 69 18 33 SER CA C 58.61 . 1 70 18 33 SER N N 116.49 . 1 71 19 34 ARG H H 8.38 . 1 72 19 34 ARG C C 176.58 . 1 73 19 34 ARG CA C 56.6 . 1 74 19 34 ARG N N 122.91 . 1 75 20 35 THR H H 8.13 . 1 76 20 35 THR C C 174.7 . 1 77 20 35 THR CA C 62.2 . 1 78 20 35 THR N N 126.02 . 1 79 21 36 GLU H H 8.34 . 1 80 21 36 GLU C C 176.22 . 1 81 21 36 GLU CA C 56.05 . 1 82 21 36 GLU N N 122.49 . 1 83 22 37 THR H H 8.2 . 1 84 22 37 THR C C 174.35 . 1 85 22 37 THR CA C 62.2 . 1 86 22 37 THR N N 114.96 . 1 87 23 38 ASP H H 8.47 . 1 88 23 38 ASP C C 175.18 . 1 89 23 38 ASP CA C 53.17 . 1 90 23 38 ASP N N 121.01 . 1 91 24 39 LEU H H 8.19 . 1 92 24 39 LEU C C 177.34 . 1 93 24 39 LEU CA C 55.54 . 1 94 24 39 LEU N N 122.65 . 1 95 25 40 SER H H 8.14 . 1 96 25 40 SER C C 174.25 . 1 97 25 40 SER CA C 58.49 . 1 98 25 40 SER N N 115.75 . 1 99 26 41 PHE H H 8.11 . 1 100 26 41 PHE C C 175.63 . 1 101 26 41 PHE CA C 57.8 . 1 102 26 41 PHE N N 122.19 . 1 103 27 42 LYS H H 8.13 . 1 104 27 42 LYS C C 176.25 . 1 105 27 42 LYS CA C 56.26 . 1 106 27 42 LYS N N 123.08 . 1 107 28 43 LYS H H 8.33 . 1 108 28 43 LYS C C 177.12 . 1 109 28 43 LYS CA C 57.03 . 1 110 28 43 LYS N N 122.94 . 1 111 29 44 GLY H H 8.49 . 1 112 29 44 GLY C C 174.07 . 1 113 29 44 GLY CA C 58.21 . 1 114 29 44 GLY N N 121.97 . 1 115 30 45 GLU H H 8.12 . 1 116 30 45 GLU C C 175.88 . 1 117 30 45 GLU CA C 55.76 . 1 118 30 45 GLU N N 119.89 . 1 119 31 46 ARG H H 8.48 . 1 120 31 46 ARG C C 176.03 . 1 121 31 46 ARG CA C 56.19 . 1 122 31 46 ARG N N 122.85 . 1 123 32 47 LEU H H 8.33 . 1 124 32 47 LEU C C 177.03 . 1 125 32 47 LEU CA C 55.17 . 1 126 32 47 LEU N N 124.12 . 1 127 33 48 GLN H H 8.47 . 1 128 33 48 GLN C C 175.54 . 1 129 33 48 GLN CA C 55.71 . 1 130 33 48 GLN N N 122.21 . 1 131 34 49 ILE H H 8.25 . 1 132 34 49 ILE C C 176.1 . 1 133 34 49 ILE CA C 61.09 . 1 134 34 49 ILE N N 123.33 . 1 135 35 50 VAL H H 8.26 . 1 136 35 50 VAL C C 175.57 . 1 137 35 50 VAL CA C 62.14 . 1 138 35 50 VAL N N 124.72 . 1 139 36 51 ASN H H 8.52 . 1 140 36 51 ASN C C 174.87 . 1 141 36 51 ASN CA C 53.16 . 1 142 36 51 ASN N N 122.89 . 1 143 37 52 ASN H H 8.48 . 1 144 37 52 ASN C C 175.64 . 1 145 37 52 ASN CA C 53.48 . 1 146 37 52 ASN N N 120.01 . 1 147 38 53 THR H H 8.2 . 1 148 38 53 THR C C 174.94 . 1 149 38 53 THR CA C 62.26 . 1 150 38 53 THR N N 125.35 . 1 151 39 54 GLU H H 8.28 . 1 152 39 54 GLU C C 176.55 . 1 153 39 54 GLU CA C 56.37 . 1 154 39 54 GLU N N 121.81 . 1 155 40 55 GLY H H 8.31 . 1 156 40 55 GLY C C 174.16 . 1 157 40 55 GLY CA C 58.44 . 1 158 40 55 GLY N N 120.65 . 1 159 41 56 ASP H H 8.23 . 1 160 41 56 ASP C C 175.78 . 1 161 41 56 ASP CA C 52.64 . 1 162 41 56 ASP N N 119.03 . 1 163 42 57 TRP H H 7.91 . 1 164 42 57 TRP C C 176.78 . 1 165 42 57 TRP CA C 58.95 . 1 166 42 57 TRP N N 122.52 . 1 167 43 58 TRP H H 7.27 . 1 168 43 58 TRP C C 176.24 . 1 169 43 58 TRP CA C 58.46 . 1 170 43 58 TRP N N 119.65 . 1 171 44 59 LEU H H 7.29 . 1 172 44 59 LEU C C 177.19 . 1 173 44 59 LEU CA C 55.35 . 1 174 44 59 LEU N N 121.79 . 1 175 45 60 ALA H H 7.78 . 1 176 45 60 ALA C C 177.59 . 1 177 45 60 ALA CA C 52.88 . 1 178 45 60 ALA N N 122.64 . 1 179 46 61 HIS H H 8.18 . 1 180 46 61 HIS C C 174.32 . 1 181 46 61 HIS CA C 55.43 . 1 182 46 61 HIS N N 116.57 . 1 183 47 62 SER H H 8.22 . 1 184 47 62 SER C C 174.53 . 1 185 47 62 SER CA C 58.53 . 1 186 47 62 SER N N 116.38 . 1 187 48 63 LEU H H 8.39 . 1 188 48 63 LEU C C 177.71 . 1 189 48 63 LEU CA C 55.49 . 1 190 48 63 LEU N N 123.95 . 1 191 49 64 THR H H 8.21 . 1 192 49 64 THR C C 174.86 . 1 193 49 64 THR CA C 61.72 . 1 194 49 64 THR N N 125.66 . 1 195 50 65 THR H H 8.09 . 1 196 50 65 THR C C 175.02 . 1 197 50 65 THR CA C 62.12 . 1 198 50 65 THR N N 115.31 . 1 199 51 66 GLY H H 8.4 . 1 200 51 66 GLY C C 174.15 . 1 201 51 66 GLY CA C 58.2 . 1 202 51 66 GLY N N 122.67 . 1 203 52 67 GLN H H 8.26 . 1 204 52 67 GLN C C 176.35 . 1 205 52 67 GLN CA C 56 . 1 206 52 67 GLN N N 119.91 . 1 207 53 68 THR H H 8.29 . 1 208 53 68 THR C C 175.05 . 1 209 53 68 THR CA C 62.16 . 1 210 53 68 THR N N 115.05 . 1 211 54 69 GLY H H 8.39 . 1 212 54 69 GLY C C 178.89 . 1 213 54 69 GLY CA C 58.2 . 1 214 54 69 GLY N N 122.53 . 1 215 55 70 TYR H H 8.07 . 1 216 55 70 TYR C C 175 . 1 217 55 70 TYR CA C 58.06 . 1 218 55 70 TYR N N 120.74 . 1 219 56 71 ILE H H 8 . 1 220 56 71 ILE CA C 58 . 1 221 56 71 ILE N N 115.15 . 1 222 57 72 PRO C C 176.9 . 1 223 57 72 PRO CA C 58.36 . 1 224 58 73 SER H H 8.38 . 1 225 58 73 SER C C 174.45 . 1 226 58 73 SER CA C 63.08 . 1 227 58 73 SER N N 115.78 . 1 228 59 74 ASN H H 8.39 . 1 229 59 74 ASN C C 174.59 . 1 230 59 74 ASN CA C 53.18 . 1 231 59 74 ASN N N 120.06 . 1 232 60 75 TYR H H 8.06 . 1 233 60 75 TYR C C 175.01 . 1 234 60 75 TYR CA C 58.47 . 1 235 60 75 TYR N N 121.12 . 1 236 61 76 VAL H H 7.81 . 1 237 61 76 VAL C C 174.61 . 1 238 61 76 VAL CA C 61.45 . 1 239 61 76 VAL N N 125.57 . 1 240 62 77 ALA H H 8.28 . 1 241 62 77 ALA CA C 63.55 . 1 242 62 77 ALA N N 118.22 . 1 243 63 78 PRO C C 176.88 . 1 244 63 78 PRO CA C 63.06 . 1 245 64 79 SER H H 8.39 . 1 246 64 79 SER C C 174.12 . 1 247 64 79 SER CA C 58.71 . 1 248 64 79 SER N N 115.91 . 1 249 65 80 ASN H H 8.33 . 1 250 65 80 ASN CA C 52.09 . 1 251 65 80 ASN N N 120.88 . 1 stop_ save_ save_assigned_chemical_shifts_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 176.89 . 1 2 1 16 PRO CA C 63.14 . 1 3 2 17 ARG H H 8.53 . 1 4 2 17 ARG C C 177.06 . 1 5 2 17 ARG CA C 56.56 . 1 6 2 17 ARG N N 122.28 . 1 7 3 18 GLY H H 8.5 . 1 8 3 18 GLY C C 174.06 . 1 9 3 18 GLY CA C 58.22 . 1 10 3 18 GLY N N 122.02 . 1 11 4 19 SER H H 8.23 . 1 12 4 19 SER C C 174.48 . 1 13 4 19 SER CA C 58.4 . 1 14 4 19 SER N N 115.45 . 1 15 5 20 HIS H H 8.67 . 1 16 5 20 HIS C C 174.13 . 1 17 5 20 HIS CA C 55.32 . 1 18 5 20 HIS N N 120.47 . 1 19 6 21 MET H H 8.47 . 1 20 6 21 MET C C 175.94 . 1 21 6 21 MET CA C 55.71 . 1 22 6 21 MET N N 122.38 . 1 23 7 22 VAL H H 8.37 . 1 24 7 22 VAL C C 176.25 . 1 25 7 22 VAL CA C 62.32 . 1 26 7 22 VAL N N 122.44 . 1 27 8 23 THR H H 8.33 . 1 28 8 23 THR C C 174.43 . 1 29 8 23 THR CA C 61.71 . 1 30 8 23 THR N N 118.49 . 1 31 9 24 THR H H 8.12 . 1 32 9 24 THR C C 173.93 . 1 33 9 24 THR CA C 61.74 . 1 34 9 24 THR N N 116.74 . 1 35 10 25 PHE H H 8.32 . 1 36 10 25 PHE C C 175.28 . 1 37 10 25 PHE CA C 57.98 . 1 38 10 25 PHE N N 123.29 . 1 39 11 26 VAL H H 8.02 . 1 40 11 26 VAL C C 175.14 . 1 41 11 26 VAL CA C 62.17 . 1 42 11 26 VAL N N 123.58 . 1 43 12 27 ALA H H 8.21 . 1 44 12 27 ALA C C 177.36 . 1 45 12 27 ALA CA C 52.46 . 1 46 12 27 ALA N N 116.25 . 1 47 13 28 LEU H H 8.09 . 1 48 13 28 LEU C C 177.06 . 1 49 13 28 LEU CA C 55.43 . 1 50 13 28 LEU N N 121.58 . 1 51 14 29 TYR H H 8.05 . 1 52 14 29 TYR C C 175.59 . 1 53 14 29 TYR CA C 57.75 . 1 54 14 29 TYR N N 119.9 . 1 55 15 30 ASP H H 8.3 . 1 56 15 30 ASP C C 174.78 . 1 57 15 30 ASP CA C 52.9 . 1 58 15 30 ASP N N 120.58 . 1 59 16 31 TYR H H 8.01 . 1 60 16 31 TYR C C 173.76 . 1 61 16 31 TYR CA C 58.58 . 1 62 16 31 TYR N N 120.9 . 1 63 17 32 GLU H H 8.14 . 1 64 17 32 GLU C C 175.86 . 1 65 17 32 GLU CA C 55.95 . 1 66 17 32 GLU N N 121.21 . 1 67 18 33 SER H H 8.19 . 1 68 18 33 SER C C 174.82 . 1 69 18 33 SER CA C 58.57 . 1 70 18 33 SER N N 116.57 . 1 71 19 34 ARG H H 8.39 . 1 72 19 34 ARG C C 176.58 . 1 73 19 34 ARG CA C 56.58 . 1 74 19 34 ARG N N 122.96 . 1 75 20 35 THR H H 8.14 . 1 76 20 35 THR C C 174.69 . 1 77 20 35 THR CA C 62.18 . 1 78 20 35 THR N N 126.1 . 1 79 21 36 GLU H H 8.35 . 1 80 21 36 GLU C C 176.2 . 1 81 21 36 GLU CA C 56.03 . 1 82 21 36 GLU N N 122.53 . 1 83 22 37 THR H H 8.2 . 1 84 22 37 THR C C 174.34 . 1 85 22 37 THR CA C 62.18 . 1 86 22 37 THR N N 114.97 . 1 87 23 38 ASP H H 8.48 . 1 88 23 38 ASP C C 175.16 . 1 89 23 38 ASP CA C 53.16 . 1 90 23 38 ASP N N 121.05 . 1 91 24 39 LEU H H 8.2 . 1 92 24 39 LEU C C 177.32 . 1 93 24 39 LEU CA C 55.52 . 1 94 24 39 LEU N N 122.69 . 1 95 25 40 SER H H 8.15 . 1 96 25 40 SER C C 174.24 . 1 97 25 40 SER CA C 58.47 . 1 98 25 40 SER N N 115.8 . 1 99 26 41 PHE H H 8.13 . 1 100 26 41 PHE C C 175.63 . 1 101 26 41 PHE CA C 57.79 . 1 102 26 41 PHE N N 122.22 . 1 103 27 42 LYS H H 8.14 . 1 104 27 42 LYS C C 176.25 . 1 105 27 42 LYS CA C 56.26 . 1 106 27 42 LYS N N 123.13 . 1 107 28 43 LYS H H 8.34 . 1 108 28 43 LYS C C 177.09 . 1 109 28 43 LYS CA C 57.01 . 1 110 28 43 LYS N N 123 . 1 111 29 44 GLY H H 8.49 . 1 112 29 44 GLY C C 174.04 . 1 113 29 44 GLY CA C 58.23 . 1 114 29 44 GLY N N 121.98 . 1 115 30 45 GLU H H 8.13 . 1 116 30 45 GLU C C 175.88 . 1 117 30 45 GLU CA C 55.76 . 1 118 30 45 GLU N N 119.9 . 1 119 31 46 ARG H H 8.49 . 1 120 31 46 ARG C C 176.03 . 1 121 31 46 ARG CA C 56.19 . 1 122 31 46 ARG N N 122.91 . 1 123 32 47 LEU H H 8.35 . 1 124 32 47 LEU C C 177.05 . 1 125 32 47 LEU CA C 55.17 . 1 126 32 47 LEU N N 124.19 . 1 127 33 48 GLN H H 8.48 . 1 128 33 48 GLN C C 175.55 . 1 129 33 48 GLN CA C 55.71 . 1 130 33 48 GLN N N 122.27 . 1 131 34 49 ILE H H 8.27 . 1 132 34 49 ILE C C 176.09 . 1 133 34 49 ILE CA C 61.09 . 1 134 34 49 ILE N N 123.39 . 1 135 35 50 VAL H H 8.27 . 1 136 35 50 VAL C C 175.58 . 1 137 35 50 VAL CA C 62.13 . 1 138 35 50 VAL N N 124.75 . 1 139 36 51 ASN H H 8.52 . 1 140 36 51 ASN C C 174.87 . 1 141 36 51 ASN CA C 53.16 . 1 142 36 51 ASN N N 122.92 . 1 143 37 52 ASN H H 8.49 . 1 144 37 52 ASN C C 175.65 . 1 145 37 52 ASN CA C 53.48 . 1 146 37 52 ASN N N 120.05 . 1 147 38 53 THR H H 8.2 . 1 148 38 53 THR C C 174.93 . 1 149 38 53 THR CA C 62.27 . 1 150 38 53 THR N N 125.37 . 1 151 39 54 GLU H H 8.29 . 1 152 39 54 GLU C C 176.53 . 1 153 39 54 GLU CA C 56.37 . 1 154 39 54 GLU N N 121.83 . 1 155 40 55 GLY H H 8.31 . 1 156 40 55 GLY C C 174.13 . 1 157 40 55 GLY CA C 58.46 . 1 158 40 55 GLY N N 120.67 . 1 159 41 56 ASP H H 8.23 . 1 160 41 56 ASP C C 175.75 . 1 161 41 56 ASP CA C 52.63 . 1 162 41 56 ASP N N 119.03 . 1 163 42 57 TRP H H 7.91 . 1 164 42 57 TRP C C 176.74 . 1 165 42 57 TRP CA C 58.9 . 1 166 42 57 TRP N N 122.49 . 1 167 43 58 TRP H H 7.27 . 1 168 43 58 TRP C C 176.21 . 1 169 43 58 TRP CA C 58.42 . 1 170 43 58 TRP N N 119.65 . 1 171 44 59 LEU H H 7.3 . 1 172 44 59 LEU C C 177.15 . 1 173 44 59 LEU CA C 55.31 . 1 174 44 59 LEU N N 121.84 . 1 175 45 60 ALA H H 7.8 . 1 176 45 60 ALA C C 177.58 . 1 177 45 60 ALA CA C 52.87 . 1 178 45 60 ALA N N 122.75 . 1 179 46 61 HIS H H 8.2 . 1 180 46 61 HIS C C 174.32 . 1 181 46 61 HIS CA C 55.42 . 1 182 46 61 HIS N N 116.63 . 1 183 47 62 SER H H 8.24 . 1 184 47 62 SER C C 174.52 . 1 185 47 62 SER CA C 58.51 . 1 186 47 62 SER N N 116.43 . 1 187 48 63 LEU H H 8.4 . 1 188 48 63 LEU C C 177.7 . 1 189 48 63 LEU CA C 55.48 . 1 190 48 63 LEU N N 123.99 . 1 191 49 64 THR H H 8.22 . 1 192 49 64 THR C C 174.86 . 1 193 49 64 THR CA C 61.72 . 1 194 49 64 THR N N 125.71 . 1 195 50 65 THR H H 8.1 . 1 196 50 65 THR C C 175.04 . 1 197 50 65 THR CA C 62.1 . 1 198 50 65 THR N N 115.32 . 1 199 51 66 GLY H H 8.4 . 1 200 51 66 GLY C C 174.13 . 1 201 51 66 GLY CA C 58.21 . 1 202 51 66 GLY N N 122.64 . 1 203 52 67 GLN H H 8.27 . 1 204 52 67 GLN C C 176.35 . 1 205 52 67 GLN CA C 56.01 . 1 206 52 67 GLN N N 119.92 . 1 207 53 68 THR H H 8.29 . 1 208 53 68 THR C C 175.05 . 1 209 53 68 THR CA C 62.15 . 1 210 53 68 THR N N 115.03 . 1 211 54 69 GLY H H 8.4 . 1 212 54 69 GLY C C 178.89 . 1 213 54 69 GLY CA C 58.22 . 1 214 54 69 GLY N N 122.49 . 1 215 55 70 TYR H H 8.08 . 1 216 55 70 TYR C C 175 . 1 217 55 70 TYR CA C 58.06 . 1 218 55 70 TYR N N 120.76 . 1 219 56 71 ILE H H 8.02 . 1 220 56 71 ILE CA C 58.01 . 1 221 56 71 ILE N N 115.15 . 1 222 57 72 PRO C C 176.87 . 1 223 57 72 PRO CA C 58.38 . 1 224 58 73 SER H H 8.38 . 1 225 58 73 SER C C 174.46 . 1 226 58 73 SER CA C 63.07 . 1 227 58 73 SER N N 115.8 . 1 228 59 74 ASN H H 8.39 . 1 229 59 74 ASN C C 174.59 . 1 230 59 74 ASN CA C 53.19 . 1 231 59 74 ASN N N 120.11 . 1 232 60 75 TYR H H 8.07 . 1 233 60 75 TYR C C 175.01 . 1 234 60 75 TYR CA C 58.47 . 1 235 60 75 TYR N N 121.14 . 1 236 61 76 VAL H H 7.82 . 1 237 61 76 VAL C C 174.64 . 1 238 61 76 VAL CA C 61.46 . 1 239 61 76 VAL N N 125.55 . 1 240 62 77 ALA H H 8.28 . 1 241 62 77 ALA CA C 63.56 . 1 242 62 77 ALA N N 118.21 . 1 243 63 78 PRO C C 176.89 . 1 244 63 78 PRO CA C 63.07 . 1 245 64 79 SER H H 8.4 . 1 246 64 79 SER C C 174.12 . 1 247 64 79 SER CA C 58.71 . 1 248 64 79 SER N N 115.91 . 1 249 65 80 ASN H H 8.33 . 1 250 65 80 ASN CA C 52.12 . 1 251 65 80 ASN N N 120.91 . 1 stop_ save_ save_assigned_chemical_shifts_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 175.88 . 1 2 1 16 PRO CA C 63.16 . 1 3 2 17 ARG H H 8.52 . 1 4 2 17 ARG C C 176.91 . 1 5 2 17 ARG CA C 56.61 . 1 6 2 17 ARG N N 122.32 . 1 7 3 18 GLY H H 8.49 . 1 8 3 18 GLY C C 174.06 . 1 9 3 18 GLY CA C 58.29 . 1 10 3 18 GLY N N 122.01 . 1 11 4 19 SER H H 8.22 . 1 12 4 19 SER C C 174.5 . 1 13 4 19 SER CA C 58.45 . 1 14 4 19 SER N N 115.44 . 1 15 5 20 HIS H H 8.67 . 1 16 5 20 HIS C C 174.15 . 1 17 5 20 HIS CA C 55.33 . 1 18 5 20 HIS N N 120.5 . 1 19 6 21 MET H H 8.48 . 1 20 6 21 MET C C 175.94 . 1 21 6 21 MET CA C 55.74 . 1 22 6 21 MET N N 122.39 . 1 23 7 22 VAL H H 8.37 . 1 24 7 22 VAL C C 176.26 . 1 25 7 22 VAL CA C 62.33 . 1 26 7 22 VAL N N 122.4 . 1 27 8 23 THR H H 8.33 . 1 28 8 23 THR C C 174.44 . 1 29 8 23 THR CA C 61.7 . 1 30 8 23 THR N N 118.41 . 1 31 9 24 THR H H 8.13 . 1 32 9 24 THR C C 173.93 . 1 33 9 24 THR CA C 61.73 . 1 34 9 24 THR N N 116.66 . 1 35 10 25 PHE H H 8.32 . 1 36 10 25 PHE C C 175.27 . 1 37 10 25 PHE CA C 57.96 . 1 38 10 25 PHE N N 123.26 . 1 39 11 26 VAL H H 8.03 . 1 40 11 26 VAL C C 175.14 . 1 41 11 26 VAL CA C 62.13 . 1 42 11 26 VAL N N 123.58 . 1 43 12 27 ALA H H 8.22 . 1 44 12 27 ALA C C 177.33 . 1 45 12 27 ALA CA C 52.43 . 1 46 12 27 ALA N N 116.33 . 1 47 13 28 LEU H H 8.11 . 1 48 13 28 LEU C C 177.05 . 1 49 13 28 LEU CA C 55.4 . 1 50 13 28 LEU N N 121.68 . 1 51 14 29 TYR H H 8.07 . 1 52 14 29 TYR C C 175.58 . 1 53 14 29 TYR CA C 57.72 . 1 54 14 29 TYR N N 119.93 . 1 55 15 30 ASP H H 8.32 . 1 56 15 30 ASP C C 174.76 . 1 57 15 30 ASP CA C 52.87 . 1 58 15 30 ASP N N 120.6 . 1 59 16 31 TYR H H 8.03 . 1 60 16 31 TYR C C 173.76 . 1 61 16 31 TYR CA C 58.54 . 1 62 16 31 TYR N N 120.93 . 1 63 17 32 GLU H H 8.15 . 1 64 17 32 GLU C C 175.81 . 1 65 17 32 GLU CA C 55.9 . 1 66 17 32 GLU N N 121.27 . 1 67 18 33 SER H H 8.21 . 1 68 18 33 SER C C 174.78 . 1 69 18 33 SER CA C 58.58 . 1 70 18 33 SER N N 116.7 . 1 71 19 34 ARG H H 8.41 . 1 72 19 34 ARG C C 176.56 . 1 73 19 34 ARG CA C 56.57 . 1 74 19 34 ARG N N 123.02 . 1 75 20 35 THR H H 8.16 . 1 76 20 35 THR C C 174.69 . 1 77 20 35 THR CA C 62.15 . 1 78 20 35 THR N N 126.17 . 1 79 21 36 GLU H H 8.36 . 1 80 21 36 GLU C C 176.15 . 1 81 21 36 GLU CA C 56 . 1 82 21 36 GLU N N 122.54 . 1 83 22 37 THR H H 8.21 . 1 84 22 37 THR C C 174.32 . 1 85 22 37 THR CA C 62.11 . 1 86 22 37 THR N N 115 . 1 87 23 38 ASP H H 8.5 . 1 88 23 38 ASP C C 175.1 . 1 89 23 38 ASP CA C 53.11 . 1 90 23 38 ASP N N 121.08 . 1 91 24 39 LEU H H 8.2 . 1 92 24 39 LEU C C 177.27 . 1 93 24 39 LEU CA C 55.47 . 1 94 24 39 LEU N N 122.71 . 1 95 25 40 SER H H 8.17 . 1 96 25 40 SER C C 174.24 . 1 97 25 40 SER CA C 58.44 . 1 98 25 40 SER N N 115.88 . 1 99 26 41 PHE H H 8.15 . 1 100 26 41 PHE C C 175.59 . 1 101 26 41 PHE CA C 57.76 . 1 102 26 41 PHE N N 122.27 . 1 103 27 42 LYS H H 8.18 . 1 104 27 42 LYS C C 176.27 . 1 105 27 42 LYS CA C 56.27 . 1 106 27 42 LYS N N 123.18 . 1 107 28 43 LYS H H 8.35 . 1 108 28 43 LYS C C 177.06 . 1 109 28 43 LYS CA C 56.98 . 1 110 28 43 LYS N N 123.1 . 1 111 29 44 GLY H H 8.48 . 1 112 29 44 GLY C C 174 . 1 113 29 44 GLY CA C 58.29 . 1 114 29 44 GLY N N 121.97 . 1 115 30 45 GLU H H 8.15 . 1 116 30 45 GLU C C 175.89 . 1 117 30 45 GLU CA C 55.77 . 1 118 30 45 GLU N N 119.92 . 1 119 31 46 ARG H H 8.5 . 1 120 31 46 ARG C C 176.03 . 1 121 31 46 ARG CA C 56.21 . 1 122 31 46 ARG N N 122.96 . 1 123 32 47 LEU H H 8.36 . 1 124 32 47 LEU C C 177.09 . 1 125 32 47 LEU CA C 55.18 . 1 126 32 47 LEU N N 124.26 . 1 127 33 48 GLN H H 8.51 . 1 128 33 48 GLN C C 175.59 . 1 129 33 48 GLN CA C 55.76 . 1 130 33 48 GLN N N 122.29 . 1 131 34 49 ILE H H 8.27 . 1 132 34 49 ILE C C 176.09 . 1 133 34 49 ILE CA C 61.11 . 1 134 34 49 ILE N N 123.42 . 1 135 35 50 VAL H H 8.27 . 1 136 35 50 VAL C C 175.59 . 1 137 35 50 VAL CA C 62.12 . 1 138 35 50 VAL N N 124.72 . 1 139 36 51 ASN H H 8.53 . 1 140 36 51 ASN C C 174.88 . 1 141 36 51 ASN CA C 53.17 . 1 142 36 51 ASN N N 122.92 . 1 143 37 52 ASN H H 8.5 . 1 144 37 52 ASN C C 175.63 . 1 145 37 52 ASN CA C 53.48 . 1 146 37 52 ASN N N 120.09 . 1 147 38 53 THR H H 8.21 . 1 148 38 53 THR C C 174.92 . 1 149 38 53 THR CA C 62.18 . 1 150 38 53 THR N N 125.35 . 1 151 39 54 GLU H H 8.29 . 1 152 39 54 GLU C C 176.5 . 1 153 39 54 GLU CA C 56.34 . 1 154 39 54 GLU N N 121.83 . 1 155 40 55 GLY H H 8.31 . 1 156 40 55 GLY C C 174.07 . 1 157 40 55 GLY CA C 58.46 . 1 158 40 55 GLY N N 120.71 . 1 159 41 56 ASP H H 8.24 . 1 160 41 56 ASP C C 175.65 . 1 161 41 56 ASP CA C 52.61 . 1 162 41 56 ASP N N 119.02 . 1 163 42 57 TRP H H 7.92 . 1 164 42 57 TRP C C 176.64 . 1 165 42 57 TRP CA C 58.79 . 1 166 42 57 TRP N N 122.44 . 1 167 43 58 TRP H H 7.29 . 1 168 43 58 TRP C C 176.11 . 1 169 43 58 TRP CA C 58.33 . 1 170 43 58 TRP N N 119.81 . 1 171 44 59 LEU H H 7.33 . 1 172 44 59 LEU C C 177.08 . 1 173 44 59 LEU CA C 55.22 . 1 174 44 59 LEU N N 121.97 . 1 175 45 60 ALA H H 7.83 . 1 176 45 60 ALA C C 177.57 . 1 177 45 60 ALA CA C 52.84 . 1 178 45 60 ALA N N 122.99 . 1 179 46 61 HIS H H 8.24 . 1 180 46 61 HIS C C 174.35 . 1 181 46 61 HIS CA C 55.39 . 1 182 46 61 HIS N N 116.78 . 1 183 47 62 SER H H 8.26 . 1 184 47 62 SER C C 174.53 . 1 185 47 62 SER CA C 58.5 . 1 186 47 62 SER N N 116.55 . 1 187 48 63 LEU H H 8.42 . 1 188 48 63 LEU C C 177.68 . 1 189 48 63 LEU CA C 55.48 . 1 190 48 63 LEU N N 124.08 . 1 191 49 64 THR H H 8.23 . 1 192 49 64 THR C C 174.87 . 1 193 49 64 THR CA C 61.71 . 1 194 49 64 THR N N 125.76 . 1 195 50 65 THR H H 8.12 . 1 196 50 65 THR C C 175.05 . 1 197 50 65 THR CA C 62.06 . 1 198 50 65 THR N N 115.29 . 1 199 51 66 GLY H H 8.39 . 1 200 51 66 GLY C C 174.11 . 1 201 51 66 GLY CA C 58.28 . 1 202 51 66 GLY N N 122.59 . 1 203 52 67 GLN H H 8.28 . 1 204 52 67 GLN C C 176.35 . 1 205 52 67 GLN CA C 56.04 . 1 206 52 67 GLN N N 119.94 . 1 207 53 68 THR H H 8.29 . 1 208 53 68 THR C C 175.06 . 1 209 53 68 THR CA C 62.11 . 1 210 53 68 THR N N 114.92 . 1 211 54 69 GLY H H 8.39 . 1 212 54 69 GLY C C 178.89 . 1 213 54 69 GLY CA C 58.28 . 1 214 54 69 GLY N N 122.42 . 1 215 55 70 TYR H H 8.09 . 1 216 55 70 TYR C C 175.01 . 1 217 55 70 TYR CA C 58.06 . 1 218 55 70 TYR N N 120.81 . 1 219 56 71 ILE H H 8.04 . 1 220 56 71 ILE CA C 58.03 . 1 221 56 71 ILE N N 115.1 . 1 222 57 72 PRO C C 176.86 . 1 223 57 72 PRO CA C 58.4 . 1 224 58 73 SER H H 8.4 . 1 225 58 73 SER C C 174.48 . 1 226 58 73 SER CA C 63.07 . 1 227 58 73 SER N N 115.87 . 1 228 59 74 ASN H H 8.41 . 1 229 59 74 ASN C C 174.61 . 1 230 59 74 ASN CA C 53.2 . 1 231 59 74 ASN N N 120.21 . 1 232 60 75 TYR H H 8.08 . 1 233 60 75 TYR C C 175.04 . 1 234 60 75 TYR CA C 58.45 . 1 235 60 75 TYR N N 121.14 . 1 236 61 76 VAL H H 7.84 . 1 237 61 76 VAL C C 174.69 . 1 238 61 76 VAL CA C 61.49 . 1 239 61 76 VAL N N 125.43 . 1 240 62 77 ALA H H 8.28 . 1 241 62 77 ALA CA C 63.56 . 1 242 62 77 ALA N N 118.16 . 1 243 63 78 PRO C C 176.83 . 1 244 63 78 PRO CA C 63.07 . 1 245 64 79 SER H H 8.4 . 1 246 64 79 SER C C 174.16 . 1 247 64 79 SER CA C 58.68 . 1 248 64 79 SER N N 115.87 . 1 249 65 80 ASN H H 8.33 . 1 250 65 80 ASN CA C 52.09 . 1 251 65 80 ASN N N 120.77 . 1 stop_ save_ save_assigned_chemical_shifts_5 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 176.87 . 1 2 1 16 PRO CA C 63.18 . 1 3 2 17 ARG H H 8.54 . 1 4 2 17 ARG C C 177.01 . 1 5 2 17 ARG CA C 56.64 . 1 6 2 17 ARG N N 122.37 . 1 7 3 18 GLY H H 8.49 . 1 8 3 18 GLY C C 174.03 . 1 9 3 18 GLY CA C 58.33 . 1 10 3 18 GLY N N 122.01 . 1 11 4 19 SER H H 8.22 . 1 12 4 19 SER C C 174.52 . 1 13 4 19 SER CA C 58.46 . 1 14 4 19 SER N N 115.44 . 1 15 5 20 HIS H H 8.69 . 1 16 5 20 HIS C C 174.16 . 1 17 5 20 HIS CA C 55.36 . 1 18 5 20 HIS N N 120.55 . 1 19 6 21 MET H H 8.5 . 1 20 6 21 MET C C 175.92 . 1 21 6 21 MET CA C 55.79 . 1 22 6 21 MET N N 122.45 . 1 23 7 22 VAL H H 8.39 . 1 24 7 22 VAL C C 176.25 . 1 25 7 22 VAL CA C 62.34 . 1 26 7 22 VAL N N 122.41 . 1 27 8 23 THR H H 8.34 . 1 28 8 23 THR C C 174.45 . 1 29 8 23 THR CA C 61.69 . 1 30 8 23 THR N N 118.4 . 1 31 9 24 THR H H 8.14 . 1 32 9 24 THR C C 173.93 . 1 33 9 24 THR CA C 61.73 . 1 34 9 24 THR N N 116.64 . 1 35 10 25 PHE H H 8.33 . 1 36 10 25 PHE C C 175.24 . 1 37 10 25 PHE CA C 57.93 . 1 38 10 25 PHE N N 123.27 . 1 39 11 26 VAL H H 8.06 . 1 40 11 26 VAL C C 175.13 . 1 41 11 26 VAL CA C 62.08 . 1 42 11 26 VAL N N 123.63 . 1 43 12 27 ALA H H 8.23 . 1 44 12 27 ALA C C 177.26 . 1 45 12 27 ALA CA C 52.39 . 1 46 12 27 ALA N N 116.46 . 1 47 13 28 LEU H H 8.13 . 1 48 13 28 LEU C C 177.01 . 1 49 13 28 LEU CA C 55.37 . 1 50 13 28 LEU N N 121.84 . 1 51 14 29 TYR H H 8.1 . 1 52 14 29 TYR C C 175.56 . 1 53 14 29 TYR CA C 57.7 . 1 54 14 29 TYR N N 120.04 . 1 55 15 30 ASP H H 8.35 . 1 56 15 30 ASP C C 174.71 . 1 57 15 30 ASP CA C 52.85 . 1 58 15 30 ASP N N 120.69 . 1 59 16 31 TYR H H 8.05 . 1 60 16 31 TYR C C 173.71 . 1 61 16 31 TYR CA C 58.51 . 1 62 16 31 TYR N N 121.01 . 1 63 17 32 GLU H H 8.17 . 1 64 17 32 GLU C C 175.77 . 1 65 17 32 GLU CA C 55.85 . 1 66 17 32 GLU N N 121.37 . 1 67 18 33 SER H H 8.23 . 1 68 18 33 SER C C 174.71 . 1 69 18 33 SER CA C 58.55 . 1 70 18 33 SER N N 116.87 . 1 71 19 34 ARG H H 8.44 . 1 72 19 34 ARG C C 176.54 . 1 73 19 34 ARG CA C 56.56 . 1 74 19 34 ARG N N 123.1 . 1 75 20 35 THR H H 8.19 . 1 76 20 35 THR C C 174.68 . 1 77 20 35 THR CA C 62.12 . 1 78 20 35 THR N N 126.27 . 1 79 21 36 GLU H H 8.38 . 1 80 21 36 GLU C C 176.13 . 1 81 21 36 GLU CA C 55.98 . 1 82 21 36 GLU N N 122.58 . 1 83 22 37 THR H H 8.22 . 1 84 22 37 THR C C 174.28 . 1 85 22 37 THR CA C 62.05 . 1 86 22 37 THR N N 115.04 . 1 87 23 38 ASP H H 8.51 . 1 88 23 38 ASP C C 175.05 . 1 89 23 38 ASP CA C 53.08 . 1 90 23 38 ASP N N 121.16 . 1 91 24 39 LEU H H 8.21 . 1 92 24 39 LEU C C 177.23 . 1 93 24 39 LEU CA C 55.43 . 1 94 24 39 LEU N N 122.75 . 1 95 25 40 SER H H 8.2 . 1 96 25 40 SER C C 174.24 . 1 97 25 40 SER CA C 58.4 . 1 98 25 40 SER N N 115.99 . 1 99 26 41 PHE H H 8.18 . 1 100 26 41 PHE C C 175.57 . 1 101 26 41 PHE CA C 57.74 . 1 102 26 41 PHE N N 122.34 . 1 103 27 42 LYS H H 8.22 . 1 104 27 42 LYS C C 176.27 . 1 105 27 42 LYS CA C 56.29 . 1 106 27 42 LYS N N 123.25 . 1 107 28 43 LYS H H 8.38 . 1 108 28 43 LYS C C 177.06 . 1 109 28 43 LYS CA C 56.95 . 1 110 28 43 LYS N N 123.2 . 1 111 29 44 GLY H H 8.48 . 1 112 29 44 GLY C C 173.93 . 1 113 29 44 GLY CA C 58.32 . 1 114 29 44 GLY N N 121.96 . 1 115 30 45 GLU H H 8.17 . 1 116 30 45 GLU C C 175.91 . 1 117 30 45 GLU CA C 55.78 . 1 118 30 45 GLU N N 119.96 . 1 119 31 46 ARG H H 8.51 . 1 120 31 46 ARG C C 176.08 . 1 121 31 46 ARG CA C 56.23 . 1 122 31 46 ARG N N 123.05 . 1 123 32 47 LEU H H 8.39 . 1 124 32 47 LEU C C 177.05 . 1 125 32 47 LEU CA C 55.19 . 1 126 32 47 LEU N N 124.39 . 1 127 33 48 GLN H H 8.53 . 1 128 33 48 GLN C C 175.59 . 1 129 33 48 GLN CA C 55.77 . 1 130 33 48 GLN N N 122.38 . 1 131 34 49 ILE H H 8.3 . 1 132 34 49 ILE C C 176.07 . 1 133 34 49 ILE CA C 61.11 . 1 134 34 49 ILE N N 123.51 . 1 135 35 50 VAL H H 8.29 . 1 136 35 50 VAL C C 175.58 . 1 137 35 50 VAL CA C 62.11 . 1 138 35 50 VAL N N 124.74 . 1 139 36 51 ASN H H 8.54 . 1 140 36 51 ASN C C 174.88 . 1 141 36 51 ASN CA C 53.18 . 1 142 36 51 ASN N N 122.97 . 1 143 37 52 ASN H H 8.51 . 1 144 37 52 ASN C C 175.62 . 1 145 37 52 ASN CA C 53.48 . 1 146 37 52 ASN N N 120.15 . 1 147 38 53 THR H H 8.22 . 1 148 38 53 THR C C 174.88 . 1 149 38 53 THR CA C 62.15 . 1 150 38 53 THR N N 125.35 . 1 151 39 54 GLU H H 8.3 . 1 152 39 54 GLU C C 176.47 . 1 153 39 54 GLU CA C 56.32 . 1 154 39 54 GLU N N 121.85 . 1 155 40 55 GLY H H 8.3 . 1 156 40 55 GLY C C 174 . 1 157 40 55 GLY CA C 58.49 . 1 158 40 55 GLY N N 120.77 . 1 159 41 56 ASP H H 8.25 . 1 160 41 56 ASP C C 175.56 . 1 161 41 56 ASP CA C 52.63 . 1 162 41 56 ASP N N 119.02 . 1 163 42 57 TRP H H 7.93 . 1 164 42 57 TRP C C 176.51 . 1 165 42 57 TRP CA C 58.66 . 1 166 42 57 TRP N N 122.38 . 1 167 43 58 TRP H H 7.33 . 1 168 43 58 TRP C C 176.03 . 1 169 43 58 TRP CA C 58.23 . 1 170 43 58 TRP N N 119.97 . 1 171 44 59 LEU H H 7.38 . 1 172 44 59 LEU C C 177 . 1 173 44 59 LEU CA C 55.14 . 1 174 44 59 LEU N N 122.14 . 1 175 45 60 ALA H H 7.88 . 1 176 45 60 ALA C C 177.54 . 1 177 45 60 ALA CA C 52.82 . 1 178 45 60 ALA N N 123.26 . 1 179 46 61 HIS H H 8.28 . 1 180 46 61 HIS C C 174.36 . 1 181 46 61 HIS CA C 55.38 . 1 182 46 61 HIS N N 116.91 . 1 183 47 62 SER H H 8.3 . 1 184 47 62 SER C C 174.52 . 1 185 47 62 SER CA C 58.5 . 1 186 47 62 SER N N 116.68 . 1 187 48 63 LEU H H 8.44 . 1 188 48 63 LEU C C 177.65 . 1 189 48 63 LEU CA C 55.48 . 1 190 48 63 LEU N N 124.17 . 1 191 49 64 THR H H 8.25 . 1 192 49 64 THR C C 174.88 . 1 193 49 64 THR CA C 61.69 . 1 194 49 64 THR N N 125.81 . 1 195 50 65 THR H H 8.15 . 1 196 50 65 THR C C 175.06 . 1 197 50 65 THR CA C 62.03 . 1 198 50 65 THR N N 115.26 . 1 199 51 66 GLY H H 8.39 . 1 200 51 66 GLY C C 174.09 . 1 201 51 66 GLY CA C 58.33 . 1 202 51 66 GLY N N 122.54 . 1 203 52 67 GLN H H 8.29 . 1 204 52 67 GLN C C 176.34 . 1 205 52 67 GLN CA C 56.07 . 1 206 52 67 GLN N N 119.95 . 1 207 53 68 THR H H 8.29 . 1 208 53 68 THR C C 175.1 . 1 209 53 68 THR CA C 62.07 . 1 210 53 68 THR N N 114.92 . 1 211 54 69 GLY H H 8.4 . 1 212 54 69 GLY C C 178.88 . 1 213 54 69 GLY CA C 58.34 . 1 214 54 69 GLY N N 122.37 . 1 215 55 70 TYR H H 8.11 . 1 216 55 70 TYR C C 175.02 . 1 217 55 70 TYR CA C 58.07 . 1 218 55 70 TYR N N 120.86 . 1 219 56 71 ILE H H 8.07 . 1 220 56 71 ILE CA C 58.06 . 1 221 56 71 ILE N N 115.06 . 1 222 57 72 PRO C C 176.83 . 1 223 57 72 PRO CA C 58.42 . 1 224 58 73 SER H H 8.41 . 1 225 58 73 SER C C 174.49 . 1 226 58 73 SER CA C 63.11 . 1 227 58 73 SER N N 115.89 . 1 228 59 74 ASN H H 8.43 . 1 229 59 74 ASN C C 174.66 . 1 230 59 74 ASN CA C 53.21 . 1 231 59 74 ASN N N 120.31 . 1 232 60 75 TYR H H 8.09 . 1 233 60 75 TYR C C 175.04 . 1 234 60 75 TYR CA C 58.44 . 1 235 60 75 TYR N N 121.14 . 1 236 61 76 VAL H H 7.87 . 1 237 61 76 VAL C C 174.74 . 1 238 61 76 VAL CA C 61.51 . 1 239 61 76 VAL N N 125.33 . 1 240 62 77 ALA H H 8.29 . 1 241 62 77 ALA CA C 63.61 . 1 242 62 77 ALA N N 118.12 . 1 243 63 78 PRO C C 176.83 . 1 244 63 78 PRO CA C 63.1 . 1 245 64 79 SER H H 8.4 . 1 246 64 79 SER C C 174.18 . 1 247 64 79 SER CA C 58.68 . 1 248 64 79 SER N N 115.89 . 1 249 65 80 ASN H H 8.34 . 1 250 65 80 ASN CA C 52.11 . 1 251 65 80 ASN N N 120.73 . 1 stop_ save_ save_assigned_chemical_shifts_6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' stop_ loop_ _Sample_label $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c-src_SH3 _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 16 PRO C C 176.85 . 1 2 1 16 PRO CA C 63.19 . 1 3 2 17 ARG H H 8.53 . 1 4 2 17 ARG C C 177 . 1 5 2 17 ARG CA C 56.66 . 1 6 2 17 ARG N N 122.41 . 1 7 3 18 GLY H H 8.5 . 1 8 3 18 GLY C C 174.02 . 1 9 3 18 GLY CA C 58.32 . 1 10 3 18 GLY N N 122 . 1 11 4 19 SER H H 8.23 . 1 12 4 19 SER C C 174.53 . 1 13 4 19 SER CA C 58.45 . 1 14 4 19 SER N N 115.44 . 1 15 5 20 HIS H H 8.7 . 1 16 5 20 HIS C C 174.18 . 1 17 5 20 HIS CA C 55.38 . 1 18 5 20 HIS N N 120.6 . 1 19 6 21 MET H H 8.52 . 1 20 6 21 MET C C 175.92 . 1 21 6 21 MET CA C 55.81 . 1 22 6 21 MET N N 122.51 . 1 23 7 22 VAL H H 8.41 . 1 24 7 22 VAL C C 176.25 . 1 25 7 22 VAL CA C 62.33 . 1 26 7 22 VAL N N 122.45 . 1 27 8 23 THR H H 8.35 . 1 28 8 23 THR C C 174.47 . 1 29 8 23 THR CA C 61.68 . 1 30 8 23 THR N N 118.4 . 1 31 9 24 THR H H 8.17 . 1 32 9 24 THR C C 173.93 . 1 33 9 24 THR CA C 61.72 . 1 34 9 24 THR N N 116.62 . 1 35 10 25 PHE H H 8.34 . 1 36 10 25 PHE C C 175.23 . 1 37 10 25 PHE CA C 57.9 . 1 38 10 25 PHE N N 123.28 . 1 39 11 26 VAL H H 8.1 . 1 40 11 26 VAL C C 175.13 . 1 41 11 26 VAL CA C 62.03 . 1 42 11 26 VAL N N 123.68 . 1 43 12 27 ALA H H 8.24 . 1 44 12 27 ALA C C 177.21 . 1 45 12 27 ALA CA C 52.34 . 1 46 12 27 ALA N N 116.56 . 1 47 13 28 LEU H H 8.14 . 1 48 13 28 LEU C C 177 . 1 49 13 28 LEU CA C 55.34 . 1 50 13 28 LEU N N 121.87 . 1 51 14 29 TYR H H 8.14 . 1 52 14 29 TYR C C 175.56 . 1 53 14 29 TYR CA C 57.69 . 1 54 14 29 TYR N N 120.16 . 1 55 15 30 ASP H H 8.39 . 1 56 15 30 ASP C C 174.7 . 1 57 15 30 ASP CA C 52.82 . 1 58 15 30 ASP N N 120.77 . 1 59 16 31 TYR H H 8.07 . 1 60 16 31 TYR C C 173.69 . 1 61 16 31 TYR CA C 58.46 . 1 62 16 31 TYR N N 121.09 . 1 63 17 32 GLU H H 8.2 . 1 64 17 32 GLU C C 175.73 . 1 65 17 32 GLU CA C 55.8 . 1 66 17 32 GLU N N 121.45 . 1 67 18 33 SER H H 8.26 . 1 68 18 33 SER C C 174.73 . 1 69 18 33 SER CA C 58.53 . 1 70 18 33 SER N N 117 . 1 71 19 34 ARG H H 8.47 . 1 72 19 34 ARG C C 176.52 . 1 73 19 34 ARG CA C 56.54 . 1 74 19 34 ARG N N 123.16 . 1 75 20 35 THR H H 8.22 . 1 76 20 35 THR C C 174.67 . 1 77 20 35 THR CA C 62.09 . 1 78 20 35 THR N N 126.35 . 1 79 21 36 GLU H H 8.41 . 1 80 21 36 GLU C C 176.09 . 1 81 21 36 GLU CA C 55.94 . 1 82 21 36 GLU N N 122.62 . 1 83 22 37 THR H H 8.24 . 1 84 22 37 THR C C 174.27 . 1 85 22 37 THR CA C 62.02 . 1 86 22 37 THR N N 115.1 . 1 87 23 38 ASP H H 8.54 . 1 88 23 38 ASP C C 175.03 . 1 89 23 38 ASP CA C 53.06 . 1 90 23 38 ASP N N 121.24 . 1 91 24 39 LEU H H 8.23 . 1 92 24 39 LEU C C 177.2 . 1 93 24 39 LEU CA C 55.39 . 1 94 24 39 LEU N N 122.79 . 1 95 25 40 SER H H 8.22 . 1 96 25 40 SER C C 174.24 . 1 97 25 40 SER CA C 58.36 . 1 98 25 40 SER N N 116.07 . 1 99 26 41 PHE H H 8.21 . 1 100 26 41 PHE C C 175.57 . 1 101 26 41 PHE CA C 57.71 . 1 102 26 41 PHE N N 122.4 . 1 103 27 42 LYS H H 8.26 . 1 104 27 42 LYS C C 176.29 . 1 105 27 42 LYS CA C 56.3 . 1 106 27 42 LYS N N 123.3 . 1 107 28 43 LYS H H 8.4 . 1 108 28 43 LYS C C 177.04 . 1 109 28 43 LYS CA C 56.92 . 1 110 28 43 LYS N N 123.27 . 1 111 29 44 GLY H H 8.49 . 1 112 29 44 GLY C C 173.93 . 1 113 29 44 GLY CA C 58.31 . 1 114 29 44 GLY N N 121.94 . 1 115 30 45 GLU H H 8.2 . 1 116 30 45 GLU C C 175.92 . 1 117 30 45 GLU CA C 55.78 . 1 118 30 45 GLU N N 119.99 . 1 119 31 46 ARG H H 8.53 . 1 120 31 46 ARG C C 176.09 . 1 121 31 46 ARG CA C 56.23 . 1 122 31 46 ARG N N 123.13 . 1 123 32 47 LEU H H 8.42 . 1 124 32 47 LEU C C 177.04 . 1 125 32 47 LEU CA C 55.18 . 1 126 32 47 LEU N N 124.47 . 1 127 33 48 GLN H H 8.58 . 1 128 33 48 GLN C C 175.64 . 1 129 33 48 GLN CA C 55.78 . 1 130 33 48 GLN N N 122.45 . 1 131 34 49 ILE H H 8.32 . 1 132 34 49 ILE C C 176.07 . 1 133 34 49 ILE CA C 61.12 . 1 134 34 49 ILE N N 123.6 . 1 135 35 50 VAL H H 8.31 . 1 136 35 50 VAL C C 175.59 . 1 137 35 50 VAL CA C 62.09 . 1 138 35 50 VAL N N 124.76 . 1 139 36 51 ASN H H 8.56 . 1 140 36 51 ASN C C 174.89 . 1 141 36 51 ASN CA C 53.2 . 1 142 36 51 ASN N N 123.02 . 1 143 37 52 ASN H H 8.53 . 1 144 37 52 ASN C C 175.6 . 1 145 37 52 ASN CA C 53.48 . 1 146 37 52 ASN N N 120.18 . 1 147 38 53 THR H H 8.24 . 1 148 38 53 THR C C 174.88 . 1 149 38 53 THR CA C 62.11 . 1 150 38 53 THR N N 125.35 . 1 151 39 54 GLU H H 8.31 . 1 152 39 54 GLU C C 176.44 . 1 153 39 54 GLU CA C 56.3 . 1 154 39 54 GLU N N 121.86 . 1 155 40 55 GLY H H 8.31 . 1 156 40 55 GLY C C 174 . 1 157 40 55 GLY CA C 58.49 . 1 158 40 55 GLY N N 120.81 . 1 159 41 56 ASP H H 8.27 . 1 160 41 56 ASP C C 175.49 . 1 161 41 56 ASP CA C 52.63 . 1 162 41 56 ASP N N 119.01 . 1 163 42 57 TRP H H 7.95 . 1 164 42 57 TRP C C 176.46 . 1 165 42 57 TRP CA C 58.55 . 1 166 42 57 TRP N N 122.33 . 1 167 43 58 TRP H H 7.38 . 1 168 43 58 TRP C C 176.03 . 1 169 43 58 TRP CA C 58.13 . 1 170 43 58 TRP N N 120.12 . 1 171 44 59 LEU H H 7.44 . 1 172 44 59 LEU C C 176.93 . 1 173 44 59 LEU CA C 55.07 . 1 174 44 59 LEU N N 122.29 . 1 175 45 60 ALA H H 7.92 . 1 176 45 60 ALA C C 177.54 . 1 177 45 60 ALA CA C 52.78 . 1 178 45 60 ALA N N 123.49 . 1 179 46 61 HIS H H 8.33 . 1 180 46 61 HIS C C 174.38 . 1 181 46 61 HIS CA C 55.37 . 1 182 46 61 HIS N N 117.06 . 1 183 47 62 SER H H 8.33 . 1 184 47 62 SER C C 174.52 . 1 185 47 62 SER CA C 58.46 . 1 186 47 62 SER N N 116.79 . 1 187 48 63 LEU H H 8.47 . 1 188 48 63 LEU C C 177.62 . 1 189 48 63 LEU CA C 55.47 . 1 190 48 63 LEU N N 124.24 . 1 191 49 64 THR H H 8.27 . 1 192 49 64 THR C C 174.9 . 1 193 49 64 THR CA C 61.69 . 1 194 49 64 THR N N 125.85 . 1 195 50 65 THR H H 8.18 . 1 196 50 65 THR C C 175.07 . 1 197 50 65 THR CA C 61.98 . 1 198 50 65 THR N N 115.25 . 1 199 51 66 GLY H H 8.4 . 1 200 51 66 GLY C C 174.06 . 1 201 51 66 GLY CA C 58.34 . 1 202 51 66 GLY N N 122.48 . 1 203 52 67 GLN H H 8.31 . 1 204 52 67 GLN C C 176.34 . 1 205 52 67 GLN CA C 56.1 . 1 206 52 67 GLN N N 119.96 . 1 207 53 68 THR H H 8.29 . 1 208 53 68 THR C C 175.1 . 1 209 53 68 THR CA C 62.06 . 1 210 53 68 THR N N 114.76 . 1 211 54 69 GLY H H 8.4 . 1 212 54 69 GLY C C 178.86 . 1 213 54 69 GLY CA C 58.34 . 1 214 54 69 GLY N N 122.3 . 1 215 55 70 TYR H H 8.12 . 1 216 55 70 TYR C C 175.03 . 1 217 55 70 TYR CA C 58.06 . 1 218 55 70 TYR N N 120.89 . 1 219 56 71 ILE H H 8.1 . 1 220 56 71 ILE CA C 58.07 . 1 221 56 71 ILE N N 114.99 . 1 222 57 72 PRO C C 176.82 . 1 223 57 72 PRO CA C 58.44 . 1 224 58 73 SER H H 8.43 . 1 225 58 73 SER C C 174.5 . 1 226 58 73 SER CA C 63.08 . 1 227 58 73 SER N N 115.95 . 1 228 59 74 ASN H H 8.45 . 1 229 59 74 ASN C C 174.63 . 1 230 59 74 ASN CA C 53.22 . 1 231 59 74 ASN N N 120.4 . 1 232 60 75 TYR H H 8.11 . 1 233 60 75 TYR C C 175.06 . 1 234 60 75 TYR CA C 58.41 . 1 235 60 75 TYR N N 121.14 . 1 236 61 76 VAL H H 7.91 . 1 237 61 76 VAL C C 174.79 . 1 238 61 76 VAL CA C 61.53 . 1 239 61 76 VAL N N 125.24 . 1 240 62 77 ALA H H 8.3 . 1 241 62 77 ALA CA C 63.62 . 1 242 62 77 ALA N N 118.09 . 1 243 63 78 PRO C C 176.83 . 1 244 63 78 PRO CA C 63.1 . 1 245 64 79 SER H H 8.42 . 1 246 64 79 SER C C 174.2 . 1 247 64 79 SER CA C 58.67 . 1 248 64 79 SER N N 115.89 . 1 249 65 80 ASN H H 8.34 . 1 250 65 80 ASN CA C 52.13 . 1 251 65 80 ASN N N 120.7 . 1 stop_ save_