data_7205 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Transmembrane Segment of ErbB4 ; _BMRB_accession_number 7205 _BMRB_flat_file_name bmr7205.str _Entry_type original _Submission_date 2006-07-03 _Accession_date 2006-07-03 _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 Mineev Konstantin S. . 2 Bocharov Eduard V. . 3 Maslennikov Innokenty V. . 4 Goncharuk Marina V. . 5 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 "13C chemical shifts" 179 "15N chemical shifts" 40 "coupling constants" 37 "T1 relaxation values" 36 "T2 relaxation values" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2007-01-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Spatial structure of the dimeric transmembrane domain of the growth factor receptor ErbB2 presumably corresponding to the receptor active state' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18178548 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocharov Eduard V. . 2 Mineev Konstantin S. . 3 Volynsky Pavel E. . 4 Ermolyuk Y. S. . 5 Tkach E. N. . 6 Sobol A. G. . 7 Chupin V. V. . 8 Kirpichnikov M. P. . 9 Efremov R. G. . 10 Arseniev Alexander S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6950 _Page_last 6956 _Year 2008 _Details . loop_ _Keyword dimer ErbB4 human kinase protein transmembrane stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ErbB4 TM dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ErbB4 TM, chain 1' $ErbB4_kinase_transmembrane_peptide 'ErbB4 TM, chain 2' $ErbB4_kinase_transmembrane_peptide stop_ _System_molecular_weight 4760 _System_physical_state 'folded in the model system' _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'ErbB4 TM, chain 1' 1 'ErbB4 TM, chain 2' stop_ _Database_query_date . _Details 'ErbB4 transmembrane segment dimer' save_ ######################## # Monomeric polymers # ######################## save_ErbB4_kinase_transmembrane_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ErbB4 TM' _Molecular_mass 4760 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; STLPQHARTPLIAAGVIGGL FILVIVGLTFAVYVRRKSIK KKRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 642 SER 2 643 THR 3 644 LEU 4 645 PRO 5 646 GLN 6 647 HIS 7 648 ALA 8 649 ARG 9 650 THR 10 651 PRO 11 652 LEU 12 653 ILE 13 654 ALA 14 655 ALA 15 656 GLY 16 657 VAL 17 658 ILE 18 659 GLY 19 660 GLY 20 661 LEU 21 662 PHE 22 663 ILE 23 664 LEU 24 665 VAL 25 666 ILE 26 667 VAL 27 668 GLY 28 669 LEU 29 670 THR 30 671 PHE 31 672 ALA 32 673 VAL 33 674 TYR 34 675 VAL 35 676 ARG 36 677 ARG 37 678 LYS 38 679 SER 39 680 ILE 40 681 LYS 41 682 LYS 42 683 LYS 43 684 ARG 44 685 ALA 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 $ErbB4_kinase_transmembrane_peptide Human 9606 Eukaryota Metazoa Homo spaiens 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 $ErbB4_kinase_transmembrane_peptide 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type bicelle _Details ; DMPC:10 DHPC:40 ErbB4TM15N: 1.2 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB4_kinase_transmembrane_peptide 2.4 mM [U-15N] DMPC 19 mM [U-2H] DHPC 77 mM [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type bicelle _Details ; DMPC:10 DHPC:40 ErbB4TM15N13C: 1.2 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB4_kinase_transmembrane_peptide 2.4 mM '[U-15N; U-13C]' DMPC 19 mM [U-2H] DHPC 77 mM [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type bicelle _Details ; DMPC:10 DHPC:40 ErbB4TM: 0.6 ErbB4TM2labeled: 0.6 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ErbB4_kinase_transmembrane_peptide 0.6 mM '[U-15N; U-13C]' DMPC 19 mM [U-2H] DHPC 77 mM [U-2H] $ErbB4_kinase_transmembrane_peptide 0.6 mM none stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label . save_ save_HCcH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCcH-TOCSY _Sample_label . save_ save_3D_13C-ali_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-ali NOESY' _Sample_label . save_ save_3D_15N-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _Sample_label . save_ save_3D_15N-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_2D_NC-chirp-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NC-chirp-NOESY' _Sample_label . save_ save_3D_C-chirp-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-chirp-NOESY' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCcH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCcH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-ali_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-ali NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHB _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_NC-chirp-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D NC-chirp-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_C-chirp-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-chirp-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; T=40 pH=5.0 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 pH temperature 313 0.5 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 water C 13 protons ppm 4.65 indirect indirect . . . 0.251449530 water H 1 protons ppm 4.65 direct direct . . . 1.0 water N 15 protons ppm 4.65 indirect 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'ErbB4 TM, chain 1' _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 1 642 1 SER HA H 4.261 0.020 1 2 642 1 SER HB2 H 4.014 0.020 1 3 642 1 SER HB3 H 4.014 0.020 1 4 642 1 SER CA C 57.295 0.400 1 5 642 1 SER CB C 62.986 0.400 1 6 643 2 THR HA H 4.415 0.020 1 7 643 2 THR HB H 4.183 0.020 1 8 643 2 THR HG2 H 1.222 0.020 1 9 643 2 THR C C 174.850 0.400 1 10 643 2 THR CA C 61.822 0.400 1 11 643 2 THR CB C 69.665 0.400 1 12 643 2 THR CG2 C 21.495 0.400 1 13 644 3 LEU H H 8.335 0.020 1 14 644 3 LEU HA H 4.626 0.020 1 15 644 3 LEU HB3 H 1.583 0.020 2 16 644 3 LEU HG H 1.683 0.020 1 17 644 3 LEU HD1 H 0.938 0.020 2 18 644 3 LEU HD2 H 0.938 0.020 2 19 644 3 LEU CA C 52.976 0.400 1 20 644 3 LEU CB C 41.869 0.400 1 21 644 3 LEU CG C 26.980 0.400 1 22 644 3 LEU CD1 C 25.084 0.400 1 23 644 3 LEU N N 125.386 0.400 1 24 645 4 PRO HA H 4.441 0.020 1 25 645 4 PRO HB2 H 1.843 0.020 2 26 645 4 PRO HB3 H 2.359 0.020 2 27 645 4 PRO HG2 H 2.036 0.020 1 28 645 4 PRO HG3 H 2.036 0.020 1 29 645 4 PRO HD2 H 3.910 0.020 2 30 645 4 PRO HD3 H 3.602 0.020 2 31 645 4 PRO C C 177.834 0.400 1 32 645 4 PRO CA C 62.853 0.400 1 33 645 4 PRO CB C 32.107 0.400 1 34 645 4 PRO CG C 27.276 0.400 1 35 645 4 PRO CD C 50.366 0.400 1 36 646 5 GLN H H 8.461 0.020 1 37 646 5 GLN HA H 4.178 0.020 1 38 646 5 GLN HB2 H 2.368 0.020 1 39 646 5 GLN HB3 H 2.368 0.020 1 40 646 5 GLN HG2 H 2.018 0.020 1 41 646 5 GLN HG3 H 2.018 0.020 1 42 646 5 GLN C C 177.408 0.400 1 43 646 5 GLN CA C 56.480 0.400 1 44 646 5 GLN CB C 33.586 0.400 1 45 646 5 GLN CG C 29.222 0.400 1 46 646 5 GLN N N 120.459 0.400 1 47 647 6 HIS H H 8.438 0.020 1 48 647 6 HIS HA H 4.722 0.020 1 49 647 6 HIS HB2 H 3.317 0.020 2 50 647 6 HIS HB3 H 3.236 0.020 2 51 647 6 HIS C C 175.175 0.400 1 52 647 6 HIS CA C 55.204 0.400 1 53 647 6 HIS CB C 28.956 0.400 1 54 647 6 HIS N N 117.278 0.400 1 55 648 7 ALA H H 8.184 0.020 1 56 648 7 ALA HA H 4.383 0.020 1 57 648 7 ALA HB H 1.429 0.020 1 58 648 7 ALA C C 178.180 0.400 1 59 648 7 ALA CA C 52.315 0.400 1 60 648 7 ALA CB C 19.386 0.400 1 61 648 7 ALA N N 123.317 0.400 1 62 649 8 ARG H H 8.281 0.020 1 63 649 8 ARG HA H 4.326 0.020 1 64 649 8 ARG HB2 H 1.935 0.020 1 65 649 8 ARG HB3 H 1.935 0.020 1 66 649 8 ARG HG2 H 1.757 0.020 2 67 649 8 ARG HG3 H 1.669 0.020 2 68 649 8 ARG HD2 H 3.266 0.020 1 69 649 8 ARG HD3 H 3.266 0.020 1 70 649 8 ARG C C 177.611 0.400 1 71 649 8 ARG CA C 57.190 0.400 1 72 649 8 ARG CB C 30.737 0.400 1 73 649 8 ARG CG C 27.133 0.400 1 74 649 8 ARG N N 118.844 0.400 1 75 650 9 THR H H 8.239 0.020 1 76 650 9 THR HA H 4.259 0.020 1 77 650 9 THR HB H 4.367 0.020 1 78 650 9 THR HG2 H 1.284 0.020 1 79 650 9 THR CA C 65.530 0.400 1 80 650 9 THR CB C 67.356 0.400 1 81 650 9 THR CG2 C 22.412 0.400 1 82 650 9 THR N N 115.800 0.400 1 83 651 10 PRO HA H 4.358 0.020 1 84 651 10 PRO HB2 H 2.321 0.020 2 85 651 10 PRO HB3 H 2.152 0.020 2 86 651 10 PRO HG2 H 2.028 0.020 2 87 651 10 PRO HG3 H 1.889 0.020 2 88 651 10 PRO HD2 H 3.775 0.020 1 89 651 10 PRO HD3 H 3.775 0.020 1 90 651 10 PRO CA C 65.099 0.400 1 91 651 10 PRO CD C 50.218 0.400 1 92 652 11 LEU H H 7.597 0.020 1 93 652 11 LEU HA H 4.118 0.020 1 94 652 11 LEU N N 117.060 0.400 1 95 653 12 ILE H H 7.926 0.020 1 96 653 12 ILE HA H 3.742 0.020 1 97 653 12 ILE HB H 2.062 0.020 1 98 653 12 ILE HG12 H 1.714 0.020 2 99 653 12 ILE HG13 H 1.117 0.020 2 100 653 12 ILE HG2 H 0.906 0.020 1 101 653 12 ILE HD1 H 0.906 0.020 1 102 653 12 ILE CA C 64.448 0.400 1 103 653 12 ILE CB C 37.539 0.400 1 104 653 12 ILE CG1 C 28.825 0.400 1 105 653 12 ILE CG2 C 17.614 0.400 1 106 653 12 ILE CD1 C 13.045 0.400 1 107 653 12 ILE N N 118.314 0.400 1 108 654 13 ALA H H 8.328 0.020 1 109 654 13 ALA HA H 3.956 0.020 1 110 654 13 ALA HB H 1.481 0.020 1 111 654 13 ALA C C 179.601 0.400 1 112 654 13 ALA CA C 55.224 0.400 1 113 654 13 ALA CB C 18.148 0.400 1 114 654 13 ALA N N 120.863 0.400 1 115 655 14 ALA H H 8.253 0.020 1 116 655 14 ALA HA H 3.973 0.020 1 117 655 14 ALA HB H 1.508 0.020 1 118 655 14 ALA C C 180.250 0.400 1 119 655 14 ALA CA C 54.997 0.400 1 120 655 14 ALA CB C 18.402 0.400 1 121 655 14 ALA N N 118.392 0.400 1 122 656 15 GLY H H 8.377 0.020 1 123 656 15 GLY HA2 H 3.632 0.020 2 124 656 15 GLY HA3 H 3.761 0.020 2 125 656 15 GLY C C 175.784 0.400 1 126 656 15 GLY CA C 46.904 0.400 1 127 656 15 GLY N N 104.974 0.400 1 128 657 16 VAL H H 8.404 0.020 1 129 657 16 VAL HA H 3.646 0.020 1 130 657 16 VAL HB H 2.248 0.020 1 131 657 16 VAL HG1 H 1.064 0.020 2 132 657 16 VAL HG2 H 0.888 0.020 2 133 657 16 VAL C C 178.139 0.400 1 134 657 16 VAL CA C 66.594 0.400 1 135 657 16 VAL CB C 31.471 0.400 1 136 657 16 VAL CG1 C 23.349 0.400 1 137 657 16 VAL CG2 C 21.611 0.400 1 138 657 16 VAL N N 120.863 0.400 1 139 658 17 ILE H H 8.326 0.020 1 140 658 17 ILE HA H 3.648 0.020 1 141 658 17 ILE HB H 1.977 0.020 1 142 658 17 ILE HG12 H 1.754 0.020 2 143 658 17 ILE HG13 H 1.130 0.020 2 144 658 17 ILE HG2 H 0.847 0.020 1 145 658 17 ILE HD1 H 0.815 0.020 1 146 658 17 ILE C C 178.657 0.400 1 147 658 17 ILE CA C 64.868 0.400 1 148 658 17 ILE CB C 37.174 0.400 1 149 658 17 ILE CG1 C 29.349 0.400 1 150 658 17 ILE CG2 C 17.664 0.400 1 151 658 17 ILE CD1 C 12.445 0.400 1 152 658 17 ILE N N 118.502 0.400 1 153 659 18 GLY H H 8.751 0.020 1 154 659 18 GLY HA2 H 3.652 0.020 2 155 659 18 GLY HA3 H 3.747 0.020 2 156 659 18 GLY C C 176.088 0.400 1 157 659 18 GLY CA C 47.430 0.400 1 158 659 18 GLY N N 106.825 0.400 1 159 660 19 GLY H H 8.532 0.020 1 160 660 19 GLY HA2 H 3.668 0.020 1 161 660 19 GLY HA3 H 3.668 0.020 1 162 660 19 GLY C C 175.632 0.400 1 163 660 19 GLY CA C 47.295 0.400 1 164 660 19 GLY N N 108.528 0.400 1 165 661 20 LEU H H 8.456 0.020 1 166 661 20 LEU HA H 4.082 0.020 1 167 661 20 LEU HB2 H 1.961 0.020 1 168 661 20 LEU HB3 H 1.579 0.020 1 169 661 20 LEU HG H 1.887 0.020 1 170 661 20 LEU HD1 H 0.854 0.020 2 171 661 20 LEU HD2 H 0.850 0.020 2 172 661 20 LEU C C 179.063 0.400 1 173 661 20 LEU CA C 57.895 0.400 1 174 661 20 LEU CB C 41.729 0.400 1 175 661 20 LEU CG C 27.006 0.400 1 176 661 20 LEU CD1 C 23.943 0.400 1 177 661 20 LEU CD2 C 24.781 0.400 1 178 661 20 LEU N N 121.220 0.400 1 179 662 21 PHE H H 8.468 0.020 1 180 662 21 PHE HA H 4.137 0.020 1 181 662 21 PHE HB2 H 3.270 0.020 1 182 662 21 PHE HB3 H 3.270 0.020 1 183 662 21 PHE C C 178.129 0.400 1 184 662 21 PHE CA C 61.327 0.400 1 185 662 21 PHE CB C 38.924 0.400 1 186 662 21 PHE N N 117.952 0.400 1 187 663 22 ILE H H 8.179 0.020 1 188 663 22 ILE HA H 3.586 0.020 1 189 663 22 ILE HB H 2.175 0.020 1 190 663 22 ILE HG12 H 1.891 0.020 2 191 663 22 ILE HG13 H 1.245 0.020 2 192 663 22 ILE HG2 H 0.872 0.020 1 193 663 22 ILE HD1 H 0.828 0.020 1 194 663 22 ILE C C 178.078 0.400 1 195 663 22 ILE CA C 64.661 0.400 1 196 663 22 ILE CB C 37.049 0.400 1 197 663 22 ILE CG1 C 29.165 0.400 1 198 663 22 ILE CG2 C 17.585 0.400 1 199 663 22 ILE CD1 C 12.299 0.400 1 200 663 22 ILE N N 117.495 0.400 1 201 664 23 LEU H H 8.187 0.020 1 202 664 23 LEU HA H 3.914 0.020 1 203 664 23 LEU HB2 H 1.954 0.020 1 204 664 23 LEU HB3 H 1.645 0.020 1 205 664 23 LEU HG H 1.864 0.020 1 206 664 23 LEU HD1 H 0.814 0.020 2 207 664 23 LEU HD2 H 0.854 0.020 2 208 664 23 LEU C C 179.449 0.400 1 209 664 23 LEU CA C 58.485 0.400 1 210 664 23 LEU CB C 41.681 0.400 1 211 664 23 LEU CG C 26.740 0.400 1 212 664 23 LEU CD1 C 23.894 0.400 1 213 664 23 LEU CD2 C 24.838 0.400 1 214 664 23 LEU N N 119.346 0.400 1 215 665 24 VAL H H 8.251 0.020 1 216 665 24 VAL HA H 3.561 0.020 1 217 665 24 VAL HB H 2.277 0.020 1 218 665 24 VAL HG1 H 0.854 0.020 1 219 665 24 VAL HG2 H 1.036 0.020 1 220 665 24 VAL C C 178.129 0.400 1 221 665 24 VAL CA C 66.901 0.400 1 222 665 24 VAL CB C 31.158 0.400 1 223 665 24 VAL CG1 C 21.455 0.400 1 224 665 24 VAL CG2 C 23.387 0.400 1 225 665 24 VAL N N 117.673 0.400 1 226 666 25 ILE H H 8.067 0.020 1 227 666 25 ILE HA H 3.684 0.020 1 228 666 25 ILE HB H 1.971 0.020 1 229 666 25 ILE HG12 H 1.409 0.020 2 230 666 25 ILE HG13 H 1.065 0.020 2 231 666 25 ILE HG2 H 0.802 0.020 1 232 666 25 ILE HD1 H 0.603 0.020 1 233 666 25 ILE C C 180.149 0.400 1 234 666 25 ILE CA C 64.572 0.400 1 235 666 25 ILE CB C 36.723 0.400 1 236 666 25 ILE CG1 C 28.649 0.400 1 237 666 25 ILE CG2 C 17.578 0.400 1 238 666 25 ILE CD1 C 11.991 0.400 1 239 666 25 ILE N N 118.720 0.400 1 240 667 26 VAL H H 8.821 0.020 1 241 667 26 VAL HA H 3.541 0.020 1 242 667 26 VAL HB H 2.237 0.020 1 243 667 26 VAL HG1 H 1.032 0.020 2 244 667 26 VAL HG2 H 0.864 0.020 2 245 667 26 VAL C C 178.342 0.400 1 246 667 26 VAL CA C 67.168 0.400 1 247 667 26 VAL CB C 31.224 0.400 1 248 667 26 VAL CG1 C 23.368 0.400 1 249 667 26 VAL CG2 C 21.530 0.400 1 250 667 26 VAL N N 122.385 0.400 1 251 668 27 GLY H H 8.777 0.020 1 252 668 27 GLY HA2 H 3.782 0.020 1 253 668 27 GLY HA3 H 3.662 0.020 1 254 668 27 GLY C C 175.804 0.400 1 255 668 27 GLY CA C 47.674 0.400 1 256 668 27 GLY N N 107.647 0.400 1 257 669 28 LEU H H 8.785 0.020 1 258 669 28 LEU HA H 4.138 0.020 1 259 669 28 LEU HB2 H 1.910 0.020 1 260 669 28 LEU HB3 H 1.566 0.020 1 261 669 28 LEU HG H 1.926 0.020 1 262 669 28 LEU HD1 H 0.858 0.020 2 263 669 28 LEU HD2 H 0.858 0.020 2 264 669 28 LEU C C 179.002 0.400 1 265 669 28 LEU CA C 57.865 0.400 1 266 669 28 LEU CB C 42.305 0.400 1 267 669 28 LEU CG C 26.859 0.400 1 268 669 28 LEU CD2 C 23.726 0.400 1 269 669 28 LEU N N 120.495 0.400 1 270 670 29 THR H H 8.105 0.020 1 271 670 29 THR HA H 3.798 0.020 1 272 670 29 THR HB H 4.307 0.020 1 273 670 29 THR HG2 H 1.163 0.020 1 274 670 29 THR C C 177.368 0.400 1 275 670 29 THR CA C 67.731 0.400 1 276 670 29 THR CB C 67.448 0.400 1 277 670 29 THR CG2 C 21.606 0.400 1 278 670 29 THR N N 115.348 0.400 1 279 671 30 PHE H H 8.498 0.020 1 280 671 30 PHE HA H 4.288 0.020 1 281 671 30 PHE HB2 H 3.241 0.020 1 282 671 30 PHE HB3 H 3.241 0.020 1 283 671 30 PHE C C 177.479 0.400 1 284 671 30 PHE CA C 61.243 0.400 1 285 671 30 PHE CB C 39.128 0.400 1 286 671 30 PHE N N 120.724 0.400 1 287 672 31 ALA H H 8.384 0.020 1 288 672 31 ALA HA H 3.991 0.020 1 289 672 31 ALA HB H 1.606 0.020 1 290 672 31 ALA C C 180.169 0.400 1 291 672 31 ALA CA C 55.317 0.400 1 292 672 31 ALA CB C 18.402 0.400 1 293 672 31 ALA N N 120.172 0.400 1 294 673 32 VAL H H 8.150 0.020 1 295 673 32 VAL HA H 3.635 0.020 1 296 673 32 VAL HB H 2.284 0.020 1 297 673 32 VAL HG1 H 0.964 0.020 1 298 673 32 VAL HG2 H 1.142 0.020 1 299 673 32 VAL C C 178.413 0.400 1 300 673 32 VAL CA C 66.227 0.400 1 301 673 32 VAL CB C 31.613 0.400 1 302 673 32 VAL CG1 C 21.597 0.400 1 303 673 32 VAL CG2 C 23.123 0.400 1 304 673 32 VAL N N 116.594 0.400 1 305 674 33 TYR H H 8.162 0.020 1 306 674 33 TYR HA H 4.114 0.020 1 307 674 33 TYR HB2 H 3.248 0.020 2 308 674 33 TYR HB3 H 3.082 0.020 2 309 674 33 TYR HD1 H 6.986 0.020 1 310 674 33 TYR HD2 H 6.986 0.020 1 311 674 33 TYR HE1 H 6.788 0.020 1 312 674 33 TYR HE2 H 6.788 0.020 1 313 674 33 TYR C C 178.504 0.400 1 314 674 33 TYR CA C 61.688 0.400 1 315 674 33 TYR CB C 38.609 0.400 1 316 674 33 TYR N N 120.453 0.400 1 317 675 34 VAL H H 8.380 0.020 1 318 675 34 VAL HA H 3.501 0.020 1 319 675 34 VAL HB H 2.054 0.020 1 320 675 34 VAL HG1 H 0.889 0.020 2 321 675 34 VAL HG2 H 0.870 0.020 2 322 675 34 VAL C C 179.144 0.400 1 323 675 34 VAL CA C 65.417 0.400 1 324 675 34 VAL CB C 31.635 0.400 1 325 675 34 VAL CG1 C 21.521 0.400 1 326 675 34 VAL CG2 C 22.421 0.400 1 327 675 34 VAL N N 116.658 0.400 1 328 676 35 ARG H H 7.876 0.020 1 329 676 35 ARG HA H 4.128 0.020 1 330 676 35 ARG HB2 H 2.050 0.020 2 331 676 35 ARG HB3 H 1.958 0.020 2 332 676 35 ARG HG2 H 1.725 0.020 1 333 676 35 ARG HG3 H 1.725 0.020 1 334 676 35 ARG HD2 H 3.171 0.020 1 335 676 35 ARG HD3 H 3.171 0.020 1 336 676 35 ARG C C 179.032 0.400 1 337 676 35 ARG CA C 57.696 0.400 1 338 676 35 ARG CB C 29.934 0.400 1 339 676 35 ARG CG C 27.470 0.400 1 340 676 35 ARG CD C 43.283 0.400 1 341 676 35 ARG N N 120.193 0.400 1 342 677 36 ARG H H 8.019 0.020 1 343 677 36 ARG HA H 4.128 0.020 1 344 677 36 ARG HB2 H 1.903 0.020 1 345 677 36 ARG HB3 H 1.903 0.020 1 346 677 36 ARG HG2 H 1.744 0.020 1 347 677 36 ARG HG3 H 1.744 0.020 1 348 677 36 ARG HD2 H 3.138 0.020 1 349 677 36 ARG HD3 H 3.138 0.020 1 350 677 36 ARG C C 178.494 0.400 1 351 677 36 ARG CA C 57.745 0.400 1 352 677 36 ARG CB C 29.995 0.400 1 353 677 36 ARG CG C 27.432 0.400 1 354 677 36 ARG CD C 43.500 0.400 1 355 677 36 ARG N N 118.684 0.400 1 356 678 37 LYS H H 7.839 0.020 1 357 678 37 LYS HA H 4.171 0.020 1 358 678 37 LYS HB2 H 1.694 0.020 2 359 678 37 LYS HB3 H 1.766 0.020 2 360 678 37 LYS HG3 H 1.313 0.020 2 361 678 37 LYS HD2 H 1.574 0.020 1 362 678 37 LYS HD3 H 1.574 0.020 1 363 678 37 LYS HE2 H 2.921 0.020 1 364 678 37 LYS HE3 H 2.921 0.020 1 365 678 37 LYS C C 178.088 0.400 1 366 678 37 LYS CA C 56.528 0.400 1 367 678 37 LYS CB C 32.262 0.400 1 368 678 37 LYS CG C 24.405 0.400 1 369 678 37 LYS CD C 28.698 0.400 1 370 678 37 LYS CE C 41.885 0.400 1 371 678 37 LYS N N 118.756 0.400 1 372 679 38 SER H H 7.851 0.020 1 373 679 38 SER HA H 4.415 0.020 1 374 679 38 SER HB2 H 3.920 0.020 1 375 679 38 SER HB3 H 3.920 0.020 1 376 679 38 SER C C 175.459 0.400 1 377 679 38 SER CA C 58.760 0.400 1 378 679 38 SER CB C 63.638 0.400 1 379 679 38 SER N N 114.720 0.400 1 380 680 39 ILE H H 7.712 0.020 1 381 680 39 ILE HA H 4.148 0.020 1 382 680 39 ILE HB H 1.917 0.020 1 383 680 39 ILE HG12 H 1.527 0.020 2 384 680 39 ILE HG13 H 1.249 0.020 2 385 680 39 ILE HG2 H 0.930 0.020 1 386 680 39 ILE HD1 H 0.899 0.020 1 387 680 39 ILE C C 176.992 0.400 1 388 680 39 ILE CA C 61.347 0.400 1 389 680 39 ILE CB C 38.482 0.400 1 390 680 39 ILE CG1 C 27.281 0.400 1 391 680 39 ILE CG2 C 17.590 0.400 1 392 680 39 ILE CD1 C 13.045 0.400 1 393 680 39 ILE N N 121.616 0.400 1 394 681 40 LYS H H 8.121 0.020 1 395 681 40 LYS HA H 4.343 0.020 1 396 681 40 LYS HB3 H 1.798 0.020 2 397 681 40 LYS HG2 H 1.429 0.020 1 398 681 40 LYS HG3 H 1.429 0.020 1 399 681 40 LYS HD2 H 1.702 0.020 1 400 681 40 LYS HD3 H 1.702 0.020 1 401 681 40 LYS HE2 H 3.024 0.020 1 402 681 40 LYS HE3 H 3.024 0.020 1 403 681 40 LYS C C 177.185 0.400 1 404 681 40 LYS CA C 55.944 0.400 1 405 681 40 LYS CB C 33.090 0.400 1 406 681 40 LYS CG C 24.478 0.400 1 407 681 40 LYS CD C 28.747 0.400 1 408 681 40 LYS CE C 42.126 0.400 1 409 681 40 LYS N N 124.677 0.400 1 410 682 41 LYS H H 8.125 0.020 1 411 682 41 LYS HA H 4.335 0.020 1 412 682 41 LYS HB2 H 1.795 0.020 1 413 682 41 LYS HB3 H 1.795 0.020 1 414 682 41 LYS HG2 H 1.479 0.020 1 415 682 41 LYS HG3 H 1.479 0.020 1 416 682 41 LYS HD2 H 1.702 0.020 1 417 682 41 LYS HD3 H 1.702 0.020 1 418 682 41 LYS HE2 H 3.024 0.020 1 419 682 41 LYS HE3 H 3.024 0.020 1 420 682 41 LYS C C 177.144 0.400 1 421 682 41 LYS CA C 55.724 0.400 1 422 682 41 LYS CB C 32.973 0.400 1 423 682 41 LYS CG C 24.613 0.400 1 424 682 41 LYS CD C 28.943 0.400 1 425 682 41 LYS CE C 41.934 0.400 1 426 682 41 LYS N N 122.672 0.400 1 427 683 42 LYS H H 8.234 0.020 1 428 683 42 LYS HA H 4.321 0.020 1 429 683 42 LYS HB2 H 1.791 0.020 1 430 683 42 LYS HB3 H 1.791 0.020 1 431 683 42 LYS HG2 H 1.439 0.020 1 432 683 42 LYS HG3 H 1.439 0.020 1 433 683 42 LYS HD2 H 1.702 0.020 1 434 683 42 LYS HD3 H 1.702 0.020 1 435 683 42 LYS HE2 H 3.024 0.020 1 436 683 42 LYS HE3 H 3.024 0.020 1 437 683 42 LYS C C 177.093 0.400 1 438 683 42 LYS CA C 56.081 0.400 1 439 683 42 LYS CB C 33.163 0.400 1 440 683 42 LYS CG C 24.650 0.400 1 441 683 42 LYS CD C 28.845 0.400 1 442 683 42 LYS CE C 41.765 0.400 1 443 683 42 LYS N N 123.029 0.400 1 444 684 43 ARG H H 8.288 0.020 1 445 684 43 ARG HA H 4.324 0.020 1 446 684 43 ARG HB2 H 1.909 0.020 2 447 684 43 ARG HB3 H 1.806 0.020 2 448 684 43 ARG HG2 H 1.671 0.020 1 449 684 43 ARG HG3 H 1.671 0.020 1 450 684 43 ARG HD2 H 3.229 0.020 1 451 684 43 ARG HD3 H 3.229 0.020 1 452 684 43 ARG C C 175.713 0.400 1 453 684 43 ARG CA C 55.964 0.400 1 454 684 43 ARG CB C 30.896 0.400 1 455 684 43 ARG CG C 27.046 0.400 1 456 684 43 ARG CD C 43.283 0.400 1 457 684 43 ARG N N 123.203 0.400 1 458 685 44 ALA H H 7.921 0.020 1 459 685 44 ALA HA H 4.137 0.020 1 460 685 44 ALA HB H 1.359 0.020 1 461 685 44 ALA CA C 53.519 0.400 1 462 685 44 ALA CB C 20.035 0.400 1 463 685 44 ALA N N 130.633 0.400 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Saveframe_category coupling_constants _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'ErbB4 TM, chain 1' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 LEU H 3 LEU HA 6.25 . . 0.10 2 3JHNHA 5 GLN H 5 GLN HA 5.69 . . 0.18 3 3JHNHA 6 HIS H 6 HIS HA 8.92 . . 4.95 4 3JHNHA 7 ALA H 7 ALA HA 4.49 . . 1.65 5 3JHNHA 8 ARG H 8 ARG HA 5.85 . . 0.22 6 3JHNHA 12 ILE H 12 ILE HA 3.58 . . 1.20 7 3JHNHA 13 ALA H 13 ALA HA 4.13 . . 1.17 8 3JHNHA 14 ALA H 14 ALA HA 3.77 . . 0.34 9 3JHNHA 15 GLY H 15 GLY HA2 4.82 . . 1.12 10 3JHNHA 16 VAL H 16 VAL HA 4.00 . . 1.93 11 3JHNHA 17 ILE H 17 ILE HA 4.41 . . 1.59 12 3JHNHA 20 LEU H 20 LEU HA 3.96 . . 0.34 13 3JHNHA 21 PHE H 21 PHE HA 3.19 . . 0.56 14 3JHNHA 22 ILE H 22 ILE HA 4.31 . . 0.51 15 3JHNHA 23 LEU H 23 LEU HA 3.06 . . 0.36 16 3JHNHA 24 VAL H 24 VAL HA 5.13 . . 0.17 17 3JHNHA 25 ILE H 25 ILE HA 4.73 . . 0.28 18 3JHNHA 26 VAL H 26 VAL HA 4.58 . . 0.24 19 3JHNHA 27 GLY H 27 GLY HA3 2.87 . . 0.60 20 3JHNHA 27 GLY H 27 GLY HA2 6.01 . . 0.30 21 3JHNHA 28 LEU H 28 LEU HA 3.95 . . 0.20 22 3JHNHA 29 THR H 29 THR HA 4.53 . . 0.21 23 3JHNHA 30 PHE H 30 PHE HA 3.66 . . 0.35 24 3JHNHA 31 ALA H 31 ALA HA 2.21 . . 0.19 25 3JHNHA 32 VAL H 32 VAL HA 4.87 . . 0.18 26 3JHNHA 33 TYR H 33 TYR HA 4.04 . . 0.30 27 3JHNHA 34 VAL H 34 VAL HA 3.57 . . 0.30 28 3JHNHA 35 ARG H 35 ARG HA 4.83 . . 0.17 29 3JHNHA 36 ARG H 36 ARG HA 5.00 . . 0.14 30 3JHNHA 37 LYS H 37 LYS HA 6.06 . . 0.12 31 3JHNHA 38 SER H 38 SER HA 6.76 . . 0.12 32 3JHNHA 39 ILE H 39 ILE HA 7.39 . . 0.10 33 3JHNHA 40 LYS H 40 LYS HA 6.85 . . 0.10 34 3JHNHA 41 LYS H 41 LYS HA 6.83 . . 0.10 35 3JHNHA 42 LYS H 42 LYS HA 6.85 . . 0.10 36 3JHNHA 43 ARG H 43 ARG HA 7.42 . . 0.09 37 3JHNHA 44 ALA H 44 ALA HA 6.79 . . 0.08 stop_ save_ save_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type 15N _T1_value_units s _Mol_system_component_name 'ErbB4 TM, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 40 LYS N 0.702800 0.0323500 2 11 LEU N 0.681300 0.0688000 3 10 PRO N 1.38400 0.313200 4 36 ARG N 0.711600 0.0408400 5 17 ILE N 0.767800 0.0514800 6 7 ALA N 0.916700 0.0693200 7 21 PHE N 1.05300 0.0498600 8 29 THR N 0.982200 0.0659000 9 15 GLY N 1.09000 0.0244000 10 32 VAL N 1.01400 0.0823300 11 16 VAL N 1.09200 0.0163500 12 27 GLY N 1.02300 0.0728600 13 38 SER N 1.08000 0.0712200 14 30 PHE N 1.15300 0.0915700 15 14 ALA N 1.07100 0.0595700 16 13 ALA N 1.06900 0.0604700 17 18 GLY N 1.09500 0.0661300 18 12 ILE N 1.15600 0.0632100 19 19 GLY N 1.04100 0.0411600 20 26 VAL N 1.14300 0.0370700 21 37 LYS N 1.04400 0.0583000 22 25 ILE N 1.09000 0.0646400 23 6 HIS N 1.08300 0.0753500 24 28 LEU N 1.03500 0.0405500 25 9 THR N 1.08900 0.0739800 26 31 ALA N 1.10700 0.103200 27 8 ARG N 0.943600 0.0753800 28 23 LEU N 0.950100 0.0421900 29 20 LEU N 1.01300 0.0391400 30 22 ILE N 0.882500 0.0372100 31 5 GLN N 0.750800 0.0245500 32 24 VAL N 0.686600 0.0227200 33 35 ARG N 0.663900 0.0345700 34 34 VAL N 0.721700 0.0428800 35 33 TYR N 0.821600 0.0558000 36 39 ILE N 0.825200 0.0185200 stop_ save_ save_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type 15N _T2_value_units s _Mol_system_component_name 'ErbB4 TM, chain 1' _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 40 LYS N 0.221000 0.0103400 . . 2 11 LEU N 0.167000 0.0184600 . . 3 10 PRO N 0.0677200 0.0527900 . . 4 36 ARG N 0.157900 0.0104000 . . 5 7 ALA N 0.0631400 0.00695900 . . 6 21 PHE N 0.0603700 0.00494200 . . 7 29 THR N 0.0681300 0.00540000 . . 8 32 VAL N 0.0584200 0.00413100 . . 9 16 VAL N 0.0517800 0.00235300 . . 10 27 GLY N 0.0585800 0.00428400 . . 11 38 SER N 0.0557300 0.00544000 . . 12 30 PHE N 0.0481800 0.00422400 . . 13 14 ALA N 0.0525700 0.00318500 . . 14 13 ALA N 0.0525600 0.00373800 . . 15 18 GLY N 0.0548700 0.00317400 . . 16 12 ILE N 0.0568100 0.00359200 . . 17 19 GLY N 0.0576000 0.00137800 . . 18 26 VAL N 0.0497600 0.00277600 . . 19 37 LYS N 0.0496300 0.00406500 . . 20 25 ILE N 0.0609700 0.00284700 . . 21 6 HIS N 0.0614000 0.00277100 . . 22 28 LEU N 0.0586800 0.00251400 . . 23 9 THR N 0.0510200 0.00233400 . . 24 31 ALA N 0.0559500 0.00482100 . . 25 8 ARG N 0.0582000 0.00491600 . . 26 23 LEU N 0.0559500 0.00276300 . . 27 20 LEU N 0.0589400 0.00153700 . . 28 22 ILE N 0.0754300 0.00227700 . . 29 5 GLN N 0.102700 0.00450100 . . 30 24 VAL N 0.156100 0.00287900 . . 31 35 ARG N 0.405800 0.0137100 . . 32 34 VAL N 0.452600 0.0104400 . . 33 33 TYR N 0.570800 0.0296600 . . 34 39 ILE N 0.329500 0.00606400 . . stop_ save_