data_7035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 2nd SH3 domain of human NCK2 adaptor protein ; _BMRB_accession_number 7035 _BMRB_flat_file_name bmr7035.str _Entry_type original _Submission_date 2006-03-29 _Accession_date 2006-03-29 _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 Liu Jingxian . Sr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 259 "13C chemical shifts" 99 "15N chemical shifts" 53 "T1 relaxation values" 63 "T2 relaxation values" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-09-24 original author . stop_ _Original_release_date 2007-09-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16752908 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jingxian . Sr. 2 Li Minfen . . 3 Ran Xiaoyuan . Sr. 4 Fan Jing-song . . 5 Song Jianxing . Sr. stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7171 _Page_last 7184 _Year 2006 _Details . loop_ _Keyword NMR SH3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NCK2 2nd SH3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NCK2 2nd SH3' $NCK2_2nd_SH3 stop_ _System_molecular_weight 6559 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NCK2_2nd_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NCK2 2nd SH3' _Molecular_mass 6559 _Mol_thiol_state 'all free' loop_ _Biological_function 'modular domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 57 _Mol_residue_sequence ; IPAFVKFAYVAEREDELSLV KGSRVTVMEKCSDGWWRGSY NGQIGWFPSNYVLEEVD ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 PRO 3 ALA 4 PHE 5 VAL 6 LYS 7 PHE 8 ALA 9 TYR 10 VAL 11 ALA 12 GLU 13 ARG 14 GLU 15 ASP 16 GLU 17 LEU 18 SER 19 LEU 20 VAL 21 LYS 22 GLY 23 SER 24 ARG 25 VAL 26 THR 27 VAL 28 MET 29 GLU 30 LYS 31 CYS 32 SER 33 ASP 34 GLY 35 TRP 36 TRP 37 ARG 38 GLY 39 SER 40 TYR 41 ASN 42 GLY 43 GLN 44 ILE 45 GLY 46 TRP 47 PHE 48 PRO 49 SER 50 ASN 51 TYR 52 VAL 53 LEU 54 GLU 55 GLU 56 VAL 57 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 PDB 2FRW "Solution Structure Of The Second Sh3 Domain Of Human Adaptor Protein Nck2" 100.00 57 100.00 100.00 3.23e-33 DBJ BAI47129 "NCK adaptor protein 2 [synthetic construct]" 100.00 380 100.00 100.00 1.77e-31 GB AAC04831 "SH2/SH3 adaptor protein NCK-beta [Homo sapiens]" 100.00 381 100.00 100.00 1.71e-31 GB AAC80284 "Nck-2 [Homo sapiens]" 100.00 380 100.00 100.00 1.75e-31 GB AAH00103 "NCK adaptor protein 2 [Homo sapiens]" 100.00 380 100.00 100.00 1.77e-31 GB AAH07195 "NCK adaptor protein 2 [Homo sapiens]" 100.00 380 100.00 100.00 1.77e-31 GB AAY24332 "unknown [Homo sapiens]" 100.00 304 100.00 100.00 5.52e-32 REF NP_001004720 "cytoplasmic protein NCK2 isoform A [Homo sapiens]" 100.00 380 100.00 100.00 1.77e-31 REF NP_003572 "cytoplasmic protein NCK2 isoform A [Homo sapiens]" 100.00 380 100.00 100.00 1.77e-31 REF XP_001109452 "PREDICTED: cytoplasmic protein NCK2 isoform 1 [Macaca mulatta]" 100.00 382 100.00 100.00 1.71e-31 REF XP_001109500 "PREDICTED: cytoplasmic protein NCK2 isoform 2 [Macaca mulatta]" 100.00 382 100.00 100.00 1.71e-31 REF XP_001488099 "PREDICTED: cytoplasmic protein NCK2 isoform X1 [Equus caballus]" 100.00 380 100.00 100.00 1.95e-31 SP O43639 "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" 100.00 380 100.00 100.00 1.77e-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 $NCK2_2nd_SH3 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 $NCK2_2nd_SH3 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NCK2_2nd_SH3 1.4 mM 0.5 2 '[U-95% 15N]' phosphate 20 mM 10 30 . DTT 10 mM 5 20 . D2O 10 % 5 15 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NCK2_2nd_SH3 1.4 mM 0.5 2 '[U-95% 13C; U-95% 15N]' phosphate 20 mM 10 30 . DTT 10 mM 5 20 . D2O 70 % 5 15 . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'N15,C13 label' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NCK2_2nd_SH3 1.4 mM 0.5 2 '[U-95% 13C; U-95% 15N]' phosphate 20 mM 10 30 . DTT 10 mM 5 20 . D2O 10 % 5 15 . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'raw data processing' stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version . loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_HSQC-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-TOCSY _Sample_label $sample_1 save_ save_HSQC-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-NOESY _Sample_label $sample_1 save_ save_HNCACB/CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB/CBCANH _Sample_label $sample_3 save_ save_HCCH_TOCSY/HCCH_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY/HCCH NOESY' _Sample_label . save_ save_T1/T2/HetNOE_6 _Saveframe_category NMR_applied_experiment _Experiment_name T1/T2/HetNOE _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRview stop_ loop_ _Experiment_label '1H15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'NCK2 2nd 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 1 ILE H H 8.328 0.005 . 2 1 1 ILE HA H 4.669 0.005 . 3 1 1 ILE HB H 1.775 0.005 . 4 1 1 ILE HG12 H 1.1 0.005 . 5 1 1 ILE HG13 H 1.1 0.005 . 6 1 1 ILE HG2 H 1.1 0.005 . 7 1 1 ILE HD1 H 0.976 0.005 . 8 1 1 ILE CA C 55.93 0.01 . 9 1 1 ILE CB C 39.428 0.01 . 10 1 1 ILE N N 122.578 0.01 . 11 3 3 ALA H H 8.796 0.005 . 12 3 3 ALA HA H 5.003 0.005 . 13 3 3 ALA HB H 1.235 0.005 . 14 3 3 ALA N N 121.289 0.01 . 15 4 4 PHE H H 8.885 0.005 . 16 4 4 PHE HA H 4.983 0.005 . 17 4 4 PHE HB2 H 3.063 0.005 . 18 4 4 PHE HB3 H 2.294 0.005 . 19 4 4 PHE CA C 54.489 0.01 . 20 4 4 PHE CB C 40.076 0.01 . 21 4 4 PHE N N 122.043 0.01 . 22 5 5 VAL H H 8.347 0.005 . 23 5 5 VAL HA H 3.71 0.005 . 24 5 5 VAL HB H 1.779 0.005 . 25 5 5 VAL HG1 H 0.471 0.005 . 26 5 5 VAL HG2 H 0.471 0.005 . 27 5 5 VAL CA C 61.695 0.01 . 28 5 5 VAL CB C 29.699 0.01 . 29 5 5 VAL N N 125.347 0.01 . 30 6 6 LYS H H 8.529 0.005 . 31 6 6 LYS HA H 3.871 0.005 . 32 6 6 LYS HB2 H 1.107 0.005 . 33 6 6 LYS HG2 H 1.017 0.005 . 34 6 6 LYS HD2 H 0.999 0.005 . 35 6 6 LYS HD3 H 0.999 0.005 . 36 6 6 LYS CA C 55.425 0.01 . 37 6 6 LYS CB C 31.717 0.01 . 38 6 6 LYS N N 107.786 0.01 . 39 7 7 PHE H H 7.31 0.005 . 40 7 7 PHE HA H 4.681 0.005 . 41 7 7 PHE HB2 H 3.061 0.005 . 42 7 7 PHE HB3 H 2.461 0.005 . 43 7 7 PHE CA C 52.831 0.01 . 44 7 7 PHE CB C 40.437 0.01 . 45 7 7 PHE N N 114.832 0.01 . 46 8 8 ALA H H 8.269 0.005 . 47 8 8 ALA HA H 3.969 0.005 . 48 8 8 ALA HB H 1.406 0.005 . 49 8 8 ALA CA C 49.877 0.01 . 50 8 8 ALA CB C 17.521 0.01 . 51 8 8 ALA N N 120.069 0.01 . 52 9 9 TYR H H 8.117 0.005 . 53 9 9 TYR HA H 4.797 0.005 . 54 9 9 TYR HB2 H 2.806 0.005 . 55 9 9 TYR HB3 H 2.403 0.005 . 56 9 9 TYR CA C 55.498 0.01 . 57 9 9 TYR CB C 40.653 0.01 . 58 9 9 TYR N N 119.183 0.01 . 59 10 10 VAL H H 7.706 0.005 . 60 10 10 VAL HA H 3.901 0.005 . 61 10 10 VAL HB H 1.655 0.005 . 62 10 10 VAL HG1 H 0.786 0.005 . 63 10 10 VAL HG2 H 0.786 0.005 . 64 10 10 VAL CA C 59.029 0.01 . 65 10 10 VAL CB C 30.06 0.01 . 66 10 10 VAL N N 107.779 0.01 . 67 11 11 ALA H H 8.147 0.005 . 68 11 11 ALA HA H 4.128 0.005 . 69 11 11 ALA HB H 1.385 0.005 . 70 11 11 ALA CA C 51.246 0.01 . 71 11 11 ALA CB C 18.025 0.01 . 72 11 11 ALA N N 127.767 0.01 . 73 12 12 GLU H H 8.809 0.005 . 74 12 12 GLU HA H 4.37 0.005 . 75 12 12 GLU HB2 H 2.202 0.005 . 76 12 12 GLU HB3 H 2.078 0.005 . 77 12 12 GLU HG2 H 2.52 0.005 . 78 12 12 GLU HG3 H 2.313 0.005 . 79 12 12 GLU CA C 54.128 0.01 . 80 12 12 GLU CB C 29.915 0.01 . 81 12 12 GLU N N 120.355 0.01 . 82 13 13 ARG H H 7.224 0.005 . 83 13 13 ARG HA H 4.62 0.005 . 84 13 13 ARG HB2 H 2.054 0.005 . 85 13 13 ARG HB3 H 1.637 0.005 . 86 13 13 ARG HG2 H 1.571 0.005 . 87 13 13 ARG HG3 H 1.571 0.005 . 88 13 13 ARG HD2 H 3.054 0.005 . 89 13 13 ARG HD3 H 3.054 0.005 . 90 13 13 ARG CA C 52.039 0.01 . 91 13 13 ARG CB C 32.366 0.01 . 92 13 13 ARG N N 115.427 0.01 . 93 14 14 GLU H H 9.035 0.005 . 94 14 14 GLU HA H 4.771 0.005 . 95 14 14 GLU HB2 H 2.101 0.005 . 96 14 14 GLU HB3 H 2.101 0.005 . 97 14 14 GLU CA C 57.083 0.01 . 98 14 14 GLU CB C 27.465 0.01 . 99 14 14 GLU N N 119.519 0.01 . 100 15 15 ASP H H 8.494 0.005 . 101 15 15 ASP HA H 4.907 0.005 . 102 15 15 ASP HB2 H 3.323 0.005 . 103 15 15 ASP CA C 51.174 0.01 . 104 15 15 ASP CB C 37.842 0.01 . 105 15 15 ASP N N 115.313 0.01 . 106 16 16 GLU H H 7.618 0.005 . 107 16 16 GLU HA H 5.566 0.005 . 108 16 16 GLU HB2 H 2.405 0.005 . 109 16 16 GLU HB3 H 2.405 0.005 . 110 16 16 GLU HG2 H 2.598 0.005 . 111 16 16 GLU HG3 H 2.519 0.005 . 112 16 16 GLU CA C 53.336 0.01 . 113 16 16 GLU CB C 31.285 0.01 . 114 16 16 GLU N N 117.936 0.01 . 115 17 17 LEU H H 8.769 0.005 . 116 17 17 LEU HA H 4.626 0.005 . 117 17 17 LEU HB2 H 1.757 0.005 . 118 17 17 LEU HG H 1.575 0.005 . 119 17 17 LEU HD1 H 0.941 0.005 . 120 17 17 LEU HD2 H 0.941 0.005 . 121 17 17 LEU CA C 51.102 0.01 . 122 17 17 LEU CB C 44.544 0.01 . 123 17 17 LEU N N 124.801 0.01 . 124 18 18 SER H H 8.027 0.005 . 125 18 18 SER HA H 4.727 0.005 . 126 18 18 SER HB2 H 3.961 0.005 . 127 18 18 SER HB3 H 3.884 0.005 . 128 18 18 SER CA C 57.371 0.01 . 129 18 18 SER CB C 61.479 0.01 . 130 18 18 SER N N 118.761 0.01 . 131 19 19 LEU H H 9.085 0.005 . 132 19 19 LEU HA H 4.563 0.005 . 133 19 19 LEU HB2 H 1.711 0.005 . 134 19 19 LEU HB3 H 1.711 0.005 . 135 19 19 LEU HD1 H 1.182 0.005 . 136 19 19 LEU HD2 H 1.182 0.005 . 137 19 19 LEU CA C 50.021 0.01 . 138 19 19 LEU CB C 42.742 0.01 . 139 19 19 LEU N N 121.673 0.01 . 140 20 20 VAL H H 8.598 0.005 . 141 20 20 VAL HA H 4.474 0.005 . 142 20 20 VAL HG1 H 1.535 0.005 . 143 20 20 VAL HG2 H 0.866 0.005 . 144 20 20 VAL CA C 58.596 0.01 . 145 20 20 VAL CB C 30.78 0.01 . 146 20 20 VAL N N 124.007 0.01 . 147 21 21 LYS H H 8.842 0.005 . 148 21 21 LYS HA H 4.766 0.005 . 149 21 21 LYS HB2 H 1.537 0.005 . 150 21 21 LYS HB3 H 1.537 0.005 . 151 21 21 LYS HG2 H 0.871 0.005 . 152 21 21 LYS HG3 H 0.871 0.005 . 153 21 21 LYS HD2 H 1.395 0.005 . 154 21 21 LYS HD3 H 1.395 0.005 . 155 21 21 LYS HE3 H 3.231 0.005 . 156 21 21 LYS CA C 57.227 0.01 . 157 21 21 LYS CB C 30.348 0.01 . 158 21 21 LYS N N 108.804 0.01 . 159 22 22 GLY H H 8.522 0.005 . 160 22 22 GLY HA2 H 4.137 0.005 . 161 22 22 GLY HA3 H 3.47 0.005 . 162 22 22 GLY CA C 43.031 0.01 . 163 22 22 GLY N N 114.074 0.01 . 164 23 23 SER H H 7.377 0.005 . 165 23 23 SER HA H 4.503 0.005 . 166 23 23 SER HB2 H 3.97 0.005 . 167 23 23 SER HB3 H 3.56 0.005 . 168 23 23 SER CA C 55.714 0.01 . 169 23 23 SER CB C 63.713 0.01 . 170 23 23 SER N N 114.184 0.01 . 171 24 24 ARG H H 8.124 0.005 . 172 24 24 ARG HA H 5.303 0.005 . 173 24 24 ARG HB2 H 1.712 0.005 . 174 24 24 ARG HB3 H 1.712 0.005 . 175 24 24 ARG HG2 H 1.516 0.005 . 176 24 24 ARG HG3 H 1.516 0.005 . 177 24 24 ARG HD2 H 3.162 0.005 . 178 24 24 ARG HD3 H 3.162 0.005 . 179 24 24 ARG CA C 52.543 0.01 . 180 24 24 ARG CB C 30.636 0.01 . 181 24 24 ARG N N 116.761 0.01 . 182 25 25 VAL H H 8.853 0.005 . 183 25 25 VAL HA H 4.752 0.005 . 184 25 25 VAL HB H 1.733 0.005 . 185 25 25 VAL HG2 H 0.461 0.005 . 186 25 25 VAL CA C 57.371 0.01 . 187 25 25 VAL CB C 32.798 0.01 . 188 25 25 VAL N N 119.112 0.01 . 189 26 26 THR H H 8.4 0.005 . 190 26 26 THR HA H 4.589 0.005 . 191 26 26 THR HB H 4.196 0.005 . 192 26 26 THR HG2 H 1.074 0.005 . 193 26 26 THR CA C 60.11 0.01 . 194 26 26 THR CB C 67.532 0.01 . 195 26 26 THR N N 119.171 0.01 . 196 27 27 VAL H H 9.666 0.005 . 197 27 27 VAL HA H 3.971 0.005 . 198 27 27 VAL HB H 2.218 0.005 . 199 27 27 VAL HG1 H 1.227 0.005 . 200 27 27 VAL HG2 H 0.536 0.005 . 201 27 27 VAL CA C 62.271 0.01 . 202 27 27 VAL CB C 30.132 0.01 . 203 27 27 VAL N N 128.241 0.01 . 204 28 28 MET H H 9.284 0.005 . 205 28 28 MET HA H 4.544 0.005 . 206 28 28 MET HB2 H 1.466 0.005 . 207 28 28 MET HB3 H 1.466 0.005 . 208 28 28 MET HG2 H 2.499 0.005 . 209 28 28 MET HG3 H 2.328 0.005 . 210 28 28 MET CA C 54.345 0.01 . 211 28 28 MET CB C 34.239 0.01 . 212 28 28 MET N N 124.164 0.01 . 213 29 29 GLU H H 7.699 0.005 . 214 29 29 GLU HA H 4.541 0.005 . 215 29 29 GLU HB2 H 1.776 0.005 . 216 29 29 GLU HB3 H 1.776 0.005 . 217 29 29 GLU HG2 H 2.012 0.005 . 218 29 29 GLU HG3 H 2.1 0.005 . 219 29 29 GLU CA C 53.408 0.01 . 220 29 29 GLU CB C 31.861 0.01 . 221 29 29 GLU N N 117.122 0.01 . 222 30 30 LYS H H 8.682 0.005 . 223 30 30 LYS HA H 4.535 0.005 . 224 30 30 LYS HB2 H 1.414 0.005 . 225 30 30 LYS HG2 H 1.327 0.005 . 226 30 30 LYS CA C 53.552 0.01 . 227 30 30 LYS CB C 34.167 0.01 . 228 30 30 LYS N N 121.591 0.01 . 229 31 31 CYS H H 8.325 0.005 . 230 31 31 CYS HA H 5.058 0.005 . 231 31 31 CYS HB2 H 3.593 0.005 . 232 31 31 CYS HB3 H 3.349 0.005 . 233 31 31 CYS CA C 55.93 0.01 . 234 31 31 CYS CB C 27.898 0.01 . 235 31 31 CYS N N 121.115 0.01 . 236 32 32 SER HA H 4.773 0.005 . 237 32 32 SER HB2 H 3.944 0.005 . 238 33 33 ASP H H 8.148 0.005 . 239 33 33 ASP HA H 4.609 0.005 . 240 33 33 ASP HB2 H 3.213 0.005 . 241 33 33 ASP HB3 H 2.672 0.005 . 242 33 33 ASP CA C 51.606 0.01 . 243 33 33 ASP CB C 38.347 0.01 . 244 33 33 ASP N N 121.47 0.01 . 245 34 34 GLY H H 8.074 0.005 . 246 34 34 GLY HA2 H 3.627 0.005 . 247 34 34 GLY HA3 H 4.277 0.005 . 248 34 34 GLY CA C 42.815 0.01 . 249 34 34 GLY N N 127.957 0.01 . 250 35 35 TRP H H 8.391 0.005 . 251 35 35 TRP HA H 4.687 0.005 . 252 35 35 TRP HB2 H 2.793 0.005 . 253 35 35 TRP HB3 H 2.632 0.005 . 254 35 35 TRP HD1 H 6.851 0.005 . 255 35 35 TRP HE1 H 10.024 0.005 . 256 35 35 TRP CA C 55.281 0.01 . 257 35 35 TRP CB C 26.745 0.01 . 258 35 35 TRP N N 123.635 0.01 . 259 36 36 TRP H H 8.752 0.005 . 260 36 36 TRP HA H 4.626 0.005 . 261 36 36 TRP HD1 H 7.364 0.005 . 262 36 36 TRP HE1 H 10.467 0.005 . 263 36 36 TRP CA C 50.597 0.01 . 264 36 36 TRP CB C 31.861 0.01 . 265 36 36 TRP N N 122.866 0.01 . 266 37 37 ARG H H 8.622 0.005 . 267 37 37 ARG HA H 4.46 0.005 . 268 37 37 ARG CA C 51.318 0.01 . 269 37 37 ARG CB C 30.132 0.01 . 270 37 37 ARG N N 121.34 0.01 . 271 38 38 GLY H H 8.988 0.005 . 272 38 38 GLY HA2 H 4.82 0.005 . 273 38 38 GLY HA3 H 4.167 0.005 . 274 38 38 GLY CA C 44.328 0.01 . 275 38 38 GLY N N 113.86 0.01 . 276 39 39 SER H H 8.972 0.005 . 277 39 39 SER HA H 5.84 0.005 . 278 39 39 SER HB2 H 3.706 0.005 . 279 39 39 SER HB3 H 3.613 0.005 . 280 39 39 SER CA C 53.624 0.01 . 281 39 39 SER CB C 64.938 0.01 . 282 39 39 SER N N 111.017 0.01 . 283 40 40 TYR H H 8.888 0.005 . 284 40 40 TYR HA H 4.82 0.005 . 285 40 40 TYR HB2 H 3.16 0.005 . 286 40 40 TYR HB3 H 2.773 0.005 . 287 40 40 TYR CA C 55.786 0.01 . 288 40 40 TYR CB C 39.428 0.01 . 289 40 40 TYR N N 122.774 0.01 . 290 41 41 ASN H H 9.105 0.005 . 291 41 41 ASN HA H 4.106 0.005 . 292 41 41 ASN HB2 H 2.864 0.005 . 293 41 41 ASN HB3 H 1.73 0.005 . 294 41 41 ASN HD21 H 6.553 0.005 . 295 41 41 ASN HD22 H 7.25 0.005 . 296 41 41 ASN CA C 51.03 0.01 . 297 41 41 ASN CB C 34.96 0.01 . 298 41 41 ASN N N 128.431 0.01 . 299 42 42 GLY H H 8.585 0.005 . 300 42 42 GLY HA2 H 4.122 0.005 . 301 42 42 GLY HA3 H 3.528 0.005 . 302 42 42 GLY CA C 43.103 0.01 . 303 42 42 GLY N N 125.351 0.01 . 304 43 43 GLN H H 7.858 0.005 . 305 43 43 GLN HA H 4.613 0.005 . 306 43 43 GLN HB2 H 2.177 0.005 . 307 43 43 GLN HB3 H 2.113 0.005 . 308 43 43 GLN HG2 H 2.444 0.005 . 309 43 43 GLN HG3 H 2.331 0.005 . 310 43 43 GLN HE21 H 6.936 0.005 . 311 43 43 GLN HE22 H 7.6 0.005 . 312 43 43 GLN CA C 52.183 0.01 . 313 43 43 GLN CB C 28.979 0.01 . 314 43 43 GLN N N 120.581 0.01 . 315 44 44 ILE H H 8.487 0.005 . 316 44 44 ILE HA H 5.305 0.005 . 317 44 44 ILE HB H 1.548 0.005 . 318 44 44 ILE HG12 H 0.784 0.005 . 319 44 44 ILE HG13 H 0.7 0.005 . 320 44 44 ILE HD1 H 0.696 0.005 . 321 44 44 ILE CA C 57.371 0.01 . 322 44 44 ILE CB C 39.284 0.01 . 323 44 44 ILE N N 121.447 0.01 . 324 45 45 GLY H H 8.75 0.005 . 325 45 45 GLY HA2 H 4.171 0.005 . 326 45 45 GLY HA3 H 3.914 0.005 . 327 45 45 GLY CA C 43.463 0.01 . 328 45 45 GLY N N 111.328 0.01 . 329 46 46 TRP H H 9.104 0.005 . 330 46 46 TRP HA H 5.543 0.005 . 331 46 46 TRP HB2 H 2.845 0.005 . 332 46 46 TRP HB3 H 2.845 0.005 . 333 46 46 TRP HD1 H 7.498 0.005 . 334 46 46 TRP HE1 H 10.178 0.005 . 335 46 46 TRP CA C 54.993 0.01 . 336 46 46 TRP CB C 29.843 0.01 . 337 46 46 TRP N N 120.359 0.01 . 338 47 47 PHE H H 9.571 0.005 . 339 47 47 PHE HA H 5.097 0.005 . 340 47 47 PHE HB2 H 3.321 0.005 . 341 47 47 PHE HB3 H 2.534 0.005 . 342 47 47 PHE CA C 53.552 0.01 . 343 47 47 PHE CB C 36.473 0.01 . 344 47 47 PHE N N 117.732 0.01 . 345 50 50 ASN H H 8.105 0.005 . 346 50 50 ASN HA H 4.457 0.005 . 347 50 50 ASN HB2 H 2.741 0.005 . 348 50 50 ASN HB3 H 2.57 0.005 . 349 50 50 ASN HD21 H 6.557 0.005 . 350 50 50 ASN HD22 H 7.382 0.005 . 351 50 50 ASN CA C 53.183 0.01 . 352 50 50 ASN CB C 34.383 0.01 . 353 50 50 ASN N N 115.521 0.01 . 354 51 51 TYR H H 7.639 0.005 . 355 51 51 TYR HA H 4.399 0.005 . 356 51 51 TYR HB2 H 3.466 0.005 . 357 51 51 TYR HB3 H 2.859 0.005 . 358 51 51 TYR CA C 57.155 0.01 . 359 51 51 TYR CB C 35.392 0.01 . 360 51 51 TYR N N 119.035 0.01 . 361 52 52 VAL H H 7.484 0.005 . 362 52 52 VAL HA H 5.351 0.005 . 363 52 52 VAL HB H 1.931 0.005 . 364 52 52 VAL HG1 H 0.856 0.005 . 365 52 52 VAL HG2 H 0.559 0.005 . 366 52 52 VAL CA C 56.074 0.01 . 367 52 52 VAL CB C 33.23 0.01 . 368 52 52 VAL N N 108.996 0.01 . 369 53 53 LEU H H 9.246 0.005 . 370 53 53 LEU HA H 4.865 0.005 . 371 53 53 LEU HB2 H 1.808 0.005 . 372 53 53 LEU HB3 H 1.808 0.005 . 373 53 53 LEU HG H 1.56 0.005 . 374 53 53 LEU HD1 H 1.47 0.005 . 375 53 53 LEU HD2 H 1.47 0.005 . 376 53 53 LEU CA C 51.462 0.01 . 377 53 53 LEU CB C 43.679 0.01 . 378 53 53 LEU N N 121.07 0.01 . 379 54 54 GLU H H 9.252 0.005 . 380 54 54 GLU HA H 4.444 0.005 . 381 54 54 GLU HB2 H 2.134 0.005 . 382 54 54 GLU HB3 H 2.134 0.005 . 383 54 54 GLU HG2 H 2.471 0.005 . 384 54 54 GLU HG3 H 2.242 0.005 . 385 54 54 GLU CA C 55.425 0.01 . 386 54 54 GLU CB C 28.979 0.01 . 387 54 54 GLU N N 126.07 0.01 . 388 55 55 GLU H H 8.591 0.005 . 389 55 55 GLU HA H 4.474 0.005 . 390 55 55 GLU HB2 H 2.02 0.005 . 391 55 55 GLU HB3 H 1.883 0.005 . 392 55 55 GLU HG2 H 2.263 0.005 . 393 55 55 GLU HG3 H 2.132 0.005 . 394 55 55 GLU CA C 54.2 0.01 . 395 55 55 GLU CB C 28.69 0.01 . 396 55 55 GLU N N 124.328 0.01 . 397 56 56 VAL H H 8.039 0.005 . 398 56 56 VAL HA H 4.216 0.005 . 399 56 56 VAL HB H 2.105 0.005 . 400 56 56 VAL HG1 H 0.893 0.005 . 401 56 56 VAL HG2 H 0.893 0.005 . 402 56 56 VAL CA C 59.677 0.01 . 403 56 56 VAL CB C 31.501 0.01 . 404 56 56 VAL N N 119.454 0.01 . 405 57 57 ASP H H 7.971 0.005 . 406 57 57 ASP HA H 4.371 0.005 . 407 57 57 ASP HB2 H 2.637 0.005 . 408 57 57 ASP HB3 H 2.539 0.005 . 409 57 57 ASP CA C 53.696 0.01 . 410 57 57 ASP CB C 40.292 0.01 . 411 57 57 ASP N N 128.234 0.01 . stop_ save_ save_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRview stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 800.145 _T1_coherence_type NzHz _T1_value_units ms _Mol_system_component_name 'NCK2 2nd SH3' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 ILE H 448.069851 . 2 3 ALA H 431.394785 . 3 4 PHE H 468.558245 . 4 5 VAL H 438.879981 . 5 6 LYS H 468.37905 . 6 7 PHE H 514.017634 . 7 8 ALA H 490.811192 . 8 9 TYR H 479.466177 . 9 10 VAL H 482.667741 . 10 11 ALA H 424.187176 . 11 12 GLU H 429.67406 . 12 13 ARG H 538.044837 . 13 14 GLU H 351.395806 . 14 15 ASP H 374.408548 . 15 16 GLU H 405.763901 . 16 17 LEU H 426.011371 . 17 18 SER H 407.56227 . 18 19 LEU H 491.711398 . 19 20 VAL H 445.095914 . 20 21 LYS H 443.464379 . 21 22 GLY H 417.825417 . 22 23 SER H 374.440434 . 23 24 ARG H 408.873904 . 24 25 VAL H 459.749225 . 25 26 THR H 392.599985 . 26 27 VAL H 521.249937 . 27 28 MET H 476.709147 . 28 29 GLU H 473.177112 . 29 30 LYS H 426.630759 . 30 31 CYS H 392.350196 . 31 33 ASP H 299.533832 . 32 34 GLY H 343.879571 . 33 35 TRP HE1 593.893023 . 34 35 TRP H 382.964315 . 35 36 TRP HE1 619.746874 . 36 36 TRP H 444.462917 . 37 37 ARG H 430.043241 . 38 38 GLY H 450.818845 . 39 39 SER H 463.487367 . 40 40 TYR H 460.649436 . 41 41 ASN H 309.460215 . 42 41 ASN HD21 591.717199 . 43 41 ASN HD22 570.868731 . 44 42 GLY H 332.983245 . 45 43 GLN H 464.344033 . 46 43 GLN HE21 1074.387717 . 47 43 GLN HE22 923.09944 . 48 44 ILE H 526.749899 . 49 45 GLY H 455.742565 . 50 46 TRP HE1 588.34994 . 51 46 TRP H 414.508905 . 52 47 PHE H 414.635651 . 53 49 SER H 423.465987 . 54 50 ASN H 367.441975 . 55 50 ASN HD21 219.246256 . 56 50 ASN HD22 160.632848 . 57 51 TYR H 437.298453 . 58 52 VAL H 408.732206 . 59 53 LEU H 468.739051 . 60 54 GLU H 473.192328 . 61 55 GLU H 460.094981 . 62 56 VAL H 510.257642 . 63 57 ASP H 575.185888 . stop_ save_ save_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRview stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 800.154 _T2_coherence_type NzHz _T2_value_units ms _Mol_system_component_name 'NCK2 2nd SH3' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 1 ILE H 88.155643 . . . 2 3 ALA H 86.685748 . . . 3 4 PHE H 89.58992 . . . 4 5 VAL H 88.527829 . . . 5 6 LYS H 89.042735 . . . 6 7 PHE H 84.868246 . . . 7 8 ALA H 88.766308 . . . 8 9 TYR H 94.867828 . . . 9 10 VAL H 98.273833 . . . 10 11 ALA H 87.292832 . . . 11 12 GLU H 91.669126 . . . 12 13 ARG H 90.189902 . . . 13 14 GLU H 79.386567 . . . 14 15 ASP H 87.575889 . . . 15 16 GLU H 71.261887 . . . 16 17 LEU H 88.53149 . . . 17 18 SER H 94.030585 . . . 18 19 LEU H 87.868456 . . . 19 20 VAL H 88.937217 . . . 20 21 LYS H 97.429248 . . . 21 22 GLY H 88.153261 . . . 22 23 SER H 78.268009 . . . 23 24 ARG H 90.445636 . . . 24 25 VAL H 89.405573 . . . 25 26 THR H 75.538475 . . . 26 27 VAL H 93.550564 . . . 27 28 MET H 80.116509 . . . 28 29 GLU H 72.825863 . . . 29 30 LYS H 72.617038 . . . 30 31 CYS H 81.870819 . . . 31 33 ASP H 79.120237 . . . 32 34 GLY H 103.703525 . . . 33 35 TRP HE1 118.494136 . . . 34 35 TRP H 78.337986 . . . 35 36 TRP HE1 116.523495 . . . 36 36 TRP H 83.296415 . . . 37 37 ARG H 75.802208 . . . 38 38 GLY H 87.55349 . . . 39 39 SER H 98.308978 . . . 40 40 TYR H 80.842746 . . . 41 41 ASN H 84.115892 . . . 42 41 ASN HD21 132.003647 . . . 43 41 ASN HD22 179.242853 . . . 44 42 GLY H 113.492981 . . . 45 43 GLN H 78.879697 . . . 46 43 GLN HE21 475.26463 . . . 47 43 GLN HE22 218.686314 . . . 48 44 ILE H 92.726449 . . . 49 45 GLY H 88.714204 . . . 50 46 TRP HE1 104.818647 . . . 51 46 TRP H 77.607892 . . . 52 47 PHE H 83.6987 . . . 53 49 SER H 75.1231 . . . 54 50 ASN H 75.893759 . . . 55 50 ASN HD21 226.004006 . . . 56 50 ASN HD22 127.332956 . . . 57 51 TYR H 76.468685 . . . 58 52 VAL H 89.820798 . . . 59 53 LEU H 89.112856 . . . 60 54 GLU H 100.127107 . . . 61 55 GLU H 95.56573 . . . 62 56 VAL H 195.246953 . . . 63 57 ASP H 371.570099 . . . stop_ save_