data_15728 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structures of dimeric transmembrane domain of the receptor tyrosine kinase EphA1 in lipid bicelles at pH 4.3 ; _BMRB_accession_number 15728 _BMRB_flat_file_name bmr15728.str _Entry_type original _Submission_date 2008-04-15 _Accession_date 2008-04-15 _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 Mayzel Maxim L. . 2 Bocharov Eduard V. . 3 Arseniev Alexander S. . 4 Goncharuk Marina V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 2 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 206 "13C chemical shifts" 152 "15N chemical shifts" 35 "coupling constants" 56 "T1 relaxation values" 35 "T2 relaxation values" 34 "pH NMR parameter values" 2 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-16 update BMRB 'complete entry citation' 2008-09-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Spatial structure and pH-dependent conformational diversity of dimeric transmembrane domain of the receptor tyrosine kinase EphA1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18728013 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bocharov Eduard V. . 2 Mayzel Maxim L. . 3 Volynsky Pavel E. . 4 Goncharuk Marina V. . 5 Ermolyuk Yaroslav S. . 6 Schulga Alexey A. . 7 Artemenko Elena O. . 8 Efremov Roman G. . 9 Arseniev Alexander S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 29385 _Page_last 29395 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EphA1 TM dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EphA1 TM chain A' $EphA1_TM 'EphA1 TM chain B' $EphA1_TM stop_ _System_molecular_weight 3890.7 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'Dimer of EphA1 TM segments incorporated into lipid bicelles.' save_ ######################## # Monomeric polymers # ######################## save_EphA1_TM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EphA1_TM _Molecular_mass 3890.7 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; SPPVSRGLTGGEIVAVIFGL LLGAALLLGILVFRSRRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 536 SER 2 537 PRO 3 538 PRO 4 539 VAL 5 540 SER 6 541 ARG 7 542 GLY 8 543 LEU 9 544 THR 10 545 GLY 11 546 GLY 12 547 GLU 13 548 ILE 14 549 VAL 15 550 ALA 16 551 VAL 17 552 ILE 18 553 PHE 19 554 GLY 20 555 LEU 21 556 LEU 22 557 LEU 23 558 GLY 24 559 ALA 25 560 ALA 26 561 LEU 27 562 LEU 28 563 LEU 29 564 GLY 30 565 ILE 31 566 LEU 32 567 VAL 33 568 PHE 34 569 ARG 35 570 SER 36 571 ARG 37 572 ARG 38 573 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2K1K "Nmr Structures Of Dimeric Transmembrane Domain Of The Receptor Tyrosine Kinase Epha1 In Lipid Bicelles At Ph 4.3" 100.00 38 100.00 100.00 2.62e-14 PDB 2K1L "Nmr Structures Of Dimeric Transmembrane Domain Of The Receptor Tyrosine Kinase Epha1 In Lipid Bicelles At Ph 6.3" 100.00 38 100.00 100.00 2.62e-14 DBJ BAF83040 "unnamed protein product [Homo sapiens]" 100.00 976 100.00 100.00 2.65e-14 EMBL CAA81796 "receptor tyrosine kinase eph [Homo sapiens]" 100.00 691 100.00 100.00 1.21e-14 GB AAA36747 "tyrosine kinase receptor precursor (put.); putative [Homo sapiens]" 100.00 984 100.00 100.00 2.82e-14 GB AAD43440 "receptor tyrosine kinase [Homo sapiens]" 100.00 976 100.00 100.00 2.55e-14 GB AAI30292 "EPH receptor A1 [Homo sapiens]" 100.00 976 100.00 100.00 2.71e-14 GB AAS07458 "unknown [Homo sapiens]" 100.00 976 100.00 100.00 2.65e-14 GB AIC54347 "EPHA1, partial [synthetic construct]" 100.00 976 100.00 100.00 2.71e-14 REF NP_005223 "ephrin type-A receptor 1 precursor [Homo sapiens]" 100.00 976 100.00 100.00 2.65e-14 REF XP_002751927 "PREDICTED: ephrin type-A receptor 1 [Callithrix jacchus]" 100.00 976 97.37 100.00 1.97e-14 REF XP_003270912 "PREDICTED: LOW QUALITY PROTEIN: ephrin type-A receptor 1 [Nomascus leucogenys]" 100.00 976 97.37 100.00 2.98e-14 REF XP_003791590 "PREDICTED: ephrin type-A receptor 1 [Otolemur garnettii]" 100.00 974 97.37 100.00 4.05e-14 REF XP_003820582 "PREDICTED: ephrin type-A receptor 1 isoform X1 [Pan paniscus]" 100.00 946 100.00 100.00 1.51e-14 SP P21709 "RecName: Full=Ephrin type-A receptor 1; Short=hEpha1; AltName: Full=EPH tyrosine kinase; AltName: Full=EPH tyrosine kinase 1; A" 100.00 976 100.00 100.00 2.65e-14 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EphA1_TM 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 $EphA1_TM 'recombinant technology' . Escherichia coli . PGEMEX1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_EphA1_TM_15N_13C_homodimer _Saveframe_category sample _Sample_type bicelle _Details 'peptide in DHPC/DMPC bicelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EphA1_TM 3 mM '[U-15N; U-13C]' DHPC 96 mM 2H DMPC 24 mM 2H NaN3 1.5 mkM 'natural abundance' EDTA 1 mM 'natural abundance' 'phosphate buffer' 10 mM 'natural abundance' D2O 100 % . stop_ save_ save_EphA1_TM_15N_homodimer _Saveframe_category sample _Sample_type bicelle _Details 'peptide in DHPC/DMPC bicelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EphA1_TM 3 mM '[U-15N; U-13C]' DHPC 96 mM 2H DMPC 24 mM 2H NaN3 1.5 mkM 'natural abundance' EDTA 1 mM 'natural abundance' 'phosphate buffer' 10 mM 'natural abundance' D2O 5 % . H2O 95 % 'natural abundance' stop_ save_ save_EphA1_TM_15N_13C_heterodimer _Saveframe_category sample _Sample_type bicelle _Details 'peptide in DHPC/DMPC bicelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EphA1_TM 1.5 mM '[U-15N; U-13C]' DHPC 96 mM 2H DMPC 24 mM 2H NaN3 1.5 mkM 'natural abundance' EDTA 1 mM 'natural abundance' 'phosphate buffer' 10 mM 'natural abundance' $EphA1_TM 1.5 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version '1.5.5, 1.8' loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'downloaded for free from www.nmr.ch' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Unity_600_Varian _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity 600' _Field_strength '600 MHz' _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $EphA1_TM_15N_homodimer save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $EphA1_TM_15N_homodimer save_ save_3D_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $EphA1_TM_15N_homodimer save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $EphA1_TM_15N_homodimer save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $EphA1_TM_15N_homodimer save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $EphA1_TM_15N_13C_homodimer save_ save_13C_F1-filtered/F3-edited-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C F1-filtered/F3-edited-NOESY' _Sample_label $EphA1_TM_15N_13C_heterodimer save_ save_15N-T1_13 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $EphA1_TM_15N_homodimer save_ save_15N-T2_14 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $EphA1_TM_15N_homodimer save_ save_15N-NOE_15 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOE _Sample_label $EphA1_TM_15N_homodimer save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $EphA1_TM_15N_homodimer save_ ####################### # Sample conditions # ####################### save_pH_4.3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.3 0.1 pH temperature 313 0.1 K stop_ save_ save_pH_6.3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 0.1 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $EphA1_TM_15N_homodimer $EphA1_TM_15N_13C_homodimer stop_ _Sample_conditions_label $pH_4.3 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'EphA1 TM chain A' _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 1 536 1 SER HA H 4.412 0.020 1 2 536 1 SER HB2 H 4.028 0.020 1 3 536 1 SER HB3 H 3.894 0.020 1 4 536 1 SER CA C 54.780 0.300 1 5 536 1 SER CB C 59.600 0.300 1 6 537 2 PRO HA H 4.785 0.020 1 7 537 2 PRO HB2 H 2.396 0.020 2 8 537 2 PRO HB3 H 1.879 0.020 2 9 537 2 PRO HD2 H 3.620 0.020 2 10 537 2 PRO HD3 H 3.766 0.020 2 11 537 2 PRO HG2 H 2.036 0.020 2 12 537 2 PRO HG3 H 2.036 0.020 2 13 537 2 PRO CA C 59.931 0.300 1 14 537 2 PRO CB C 28.816 0.300 1 15 537 2 PRO CD C 48.730 0.300 1 16 537 2 PRO CG C 25.333 0.300 1 17 538 3 PRO HA H 4.468 0.020 1 18 538 3 PRO HB2 H 2.277 0.020 2 19 538 3 PRO HB3 H 1.906 0.020 2 20 538 3 PRO HD2 H 3.804 0.020 2 21 538 3 PRO HD3 H 3.642 0.020 2 22 538 3 PRO HG2 H 2.024 0.020 2 23 538 3 PRO HG3 H 2.024 0.020 2 24 538 3 PRO C C 176.680 0.300 1 25 538 3 PRO CA C 61.060 0.300 1 26 538 3 PRO CB C 29.941 0.300 1 27 538 3 PRO CD C 48.515 0.300 1 28 538 3 PRO CG C 25.314 0.300 1 29 539 4 VAL H H 8.109 0.020 1 30 539 4 VAL HA H 4.109 0.020 1 31 539 4 VAL HB H 2.055 0.020 1 32 539 4 VAL HG1 H 0.924 0.020 2 33 539 4 VAL HG2 H 0.925 0.020 2 34 539 4 VAL C C 175.981 0.300 1 35 539 4 VAL CA C 60.125 0.300 1 36 539 4 VAL CB C 30.990 0.300 1 37 539 4 VAL CG1 C 18.619 0.300 1 38 539 4 VAL CG2 C 19.313 0.300 1 39 539 4 VAL N N 119.196 0.300 1 40 540 5 SER H H 8.248 0.020 1 41 540 5 SER HA H 4.445 0.020 1 42 540 5 SER HB2 H 3.831 0.020 2 43 540 5 SER HB3 H 3.800 0.020 2 44 540 5 SER C C 174.163 0.300 1 45 540 5 SER CA C 56.131 0.300 1 46 540 5 SER CB C 61.943 0.300 1 47 540 5 SER N N 118.519 0.300 1 48 541 6 ARG H H 8.285 0.020 1 49 541 6 ARG HA H 4.377 0.020 1 50 541 6 ARG HB2 H 1.901 0.020 1 51 541 6 ARG HB3 H 1.770 0.020 1 52 541 6 ARG HD2 H 3.141 0.040 5 53 541 6 ARG HD3 H 3.141 0.040 2 54 541 6 ARG HG2 H 1.619 0.040 5 55 541 6 ARG HG3 H 1.619 0.040 5 56 541 6 ARG C C 175.911 0.300 1 57 541 6 ARG CA C 54.036 0.300 1 58 541 6 ARG CB C 28.889 0.300 1 59 541 6 ARG CD C 41.322 0.600 5 60 541 6 ARG CG C 25.006 0.600 5 61 541 6 ARG N N 122.258 0.300 1 62 542 7 GLY H H 8.224 0.020 1 63 542 7 GLY HA2 H 4.014 0.020 1 64 542 7 GLY HA3 H 3.918 0.020 1 65 542 7 GLY C C 173.444 0.300 1 66 542 7 GLY CA C 42.782 0.300 1 67 542 7 GLY N N 107.819 0.300 1 68 543 8 LEU H H 8.062 0.020 1 69 543 8 LEU HA H 4.616 0.020 1 70 543 8 LEU HB2 H 1.674 0.020 2 71 543 8 LEU HB3 H 1.579 0.020 2 72 543 8 LEU HD1 H 0.835 0.020 2 73 543 8 LEU HD2 H 0.833 0.020 2 74 543 8 LEU HG H 1.523 0.050 5 75 543 8 LEU C C 177.499 0.300 1 76 543 8 LEU CA C 52.803 0.300 1 77 543 8 LEU CB C 41.347 0.300 1 78 543 8 LEU CD1 C 23.587 0.300 1 79 543 8 LEU CD2 C 21.280 0.300 1 80 543 8 LEU CG C 24.908 0.600 5 81 543 8 LEU N N 120.635 0.300 1 82 544 9 THR H H 8.370 0.020 1 83 544 9 THR HA H 4.488 0.020 1 84 544 9 THR HB H 4.616 0.020 1 85 544 9 THR HG2 H 1.244 0.020 1 86 544 9 THR C C 175.711 0.300 1 87 544 9 THR CA C 58.430 0.300 1 88 544 9 THR CB C 68.763 0.300 1 89 544 9 THR CG2 C 19.936 0.300 1 90 544 9 THR N N 112.319 0.300 1 91 545 10 GLY H H 9.037 0.020 1 92 545 10 GLY HA2 H 3.741 0.020 1 93 545 10 GLY HA3 H 3.968 0.020 1 94 545 10 GLY C C 175.911 0.300 1 95 545 10 GLY CA C 45.811 0.300 1 96 545 10 GLY N N 108.046 0.300 1 97 546 11 GLY H H 8.631 0.020 1 98 546 11 GLY HA2 H 3.687 0.020 1 99 546 11 GLY HA3 H 3.957 0.020 1 100 546 11 GLY C C 175.991 0.300 1 101 546 11 GLY CA C 44.914 0.300 1 102 546 11 GLY N N 107.437 0.300 1 103 547 12 GLU H H 7.831 0.020 1 104 547 12 GLU HA H 3.857 0.020 1 105 547 12 GLU HB2 H 2.447 0.020 2 106 547 12 GLU HB3 H 2.275 0.020 2 107 547 12 GLU HG2 H 1.656 0.020 2 108 547 12 GLU HG3 H 1.770 0.020 2 109 547 12 GLU C C 177.938 0.300 1 110 547 12 GLU CA C 57.490 0.300 1 111 547 12 GLU CB C 27.221 0.300 1 112 547 12 GLU CG C 27.074 0.300 1 113 547 12 GLU N N 120.024 0.300 1 114 548 13 ILE H H 8.100 0.020 1 115 548 13 ILE HA H 3.585 0.020 1 116 548 13 ILE HB H 2.114 0.020 1 117 548 13 ILE HD1 H 0.830 0.020 1 118 548 13 ILE HG12 H 1.049 0.020 2 119 548 13 ILE HG13 H 1.049 0.020 2 120 548 13 ILE HG2 H 0.883 0.020 1 121 548 13 ILE C C 177.648 0.300 1 122 548 13 ILE CA C 63.546 0.300 1 123 548 13 ILE CB C 35.429 0.300 1 124 548 13 ILE CD1 C 11.138 0.300 1 125 548 13 ILE CG1 C 27.358 0.300 1 126 548 13 ILE CG2 C 15.722 0.300 1 127 548 13 ILE N N 118.800 0.300 1 128 549 14 VAL H H 8.096 0.020 1 129 549 14 VAL HA H 3.443 0.020 1 130 549 14 VAL HB H 2.222 0.020 1 131 549 14 VAL HG1 H 1.053 0.020 1 132 549 14 VAL HG2 H 0.863 0.020 1 133 549 14 VAL C C 176.989 0.300 1 134 549 14 VAL CA C 65.305 0.300 1 135 549 14 VAL CB C 29.177 0.300 1 136 549 14 VAL CG1 C 21.713 0.300 1 137 549 14 VAL CG2 C 20.128 0.300 1 138 549 14 VAL N N 118.225 0.300 1 139 550 15 ALA H H 8.157 0.020 1 140 550 15 ALA HA H 3.997 0.020 1 141 550 15 ALA HB H 1.636 0.020 1 142 550 15 ALA C C 179.176 0.300 1 143 550 15 ALA CA C 53.948 0.300 1 144 550 15 ALA CB C 17.249 0.300 1 145 550 15 ALA N N 121.108 0.300 1 146 551 16 VAL H H 8.226 0.020 1 147 551 16 VAL HA H 3.811 0.020 1 148 551 16 VAL HB H 2.320 0.020 1 149 551 16 VAL HG1 H 1.200 0.020 2 150 551 16 VAL HG2 H 0.934 0.020 2 151 551 16 VAL CA C 64.507 0.300 1 152 551 16 VAL CB C 29.539 0.300 1 153 551 16 VAL CG1 C 21.384 0.300 1 154 551 16 VAL CG2 C 19.710 0.300 1 155 551 16 VAL N N 117.300 0.300 1 156 552 17 ILE H H 7.969 0.020 1 157 552 17 ILE HA H 3.592 0.020 1 158 552 17 ILE HB H 2.044 0.020 1 159 552 17 ILE HD1 H 0.784 0.020 1 160 552 17 ILE HG12 H 1.881 0.020 2 161 552 17 ILE HG13 H 1.881 0.020 2 162 552 17 ILE HG2 H 0.827 0.020 1 163 552 17 ILE C C 177.269 0.300 1 164 552 17 ILE CA C 63.879 0.300 1 165 552 17 ILE CB C 35.472 0.300 1 166 552 17 ILE CD1 C 11.258 0.300 1 167 552 17 ILE CG1 C 27.578 0.300 1 168 552 17 ILE CG2 C 15.473 0.300 1 169 552 17 ILE N N 119.250 0.300 1 170 553 18 PHE H H 8.905 0.020 1 171 553 18 PHE HA H 4.164 0.020 1 172 553 18 PHE HB2 H 3.145 0.020 1 173 553 18 PHE HB3 H 3.256 0.020 1 174 553 18 PHE HD1 H 7.114 0.020 1 175 553 18 PHE HD2 H 7.114 0.020 1 176 553 18 PHE HE1 H 7.050 0.020 1 177 553 18 PHE HE2 H 7.050 0.020 1 178 553 18 PHE HZ H 6.985 0.020 1 179 553 18 PHE C C 177.219 0.300 1 180 553 18 PHE CA C 59.566 0.300 1 181 553 18 PHE CB C 37.239 0.300 1 182 553 18 PHE CZ C 131.513 0.300 1 183 553 18 PHE N N 118.584 0.300 1 184 554 19 GLY H H 8.786 0.020 1 185 554 19 GLY HA2 H 3.573 0.040 2 186 554 19 GLY HA3 H 3.603 0.040 2 187 554 19 GLY CA C 45.982 0.300 1 188 554 19 GLY N N 105.717 0.300 1 189 555 20 LEU H H 8.539 0.020 1 190 555 20 LEU HA H 4.002 0.040 5 191 555 20 LEU HB2 H 1.553 0.020 1 192 555 20 LEU HB3 H 1.947 0.020 1 193 555 20 LEU HD1 H 0.747 0.020 2 194 555 20 LEU HD2 H 0.799 0.020 2 195 555 20 LEU HG H 1.801 0.040 5 196 555 20 LEU CA C 56.322 0.600 5 197 555 20 LEU CB C 40.789 0.300 1 198 555 20 LEU CD1 C 24.183 0.300 1 199 555 20 LEU CD2 C 22.340 0.300 1 200 555 20 LEU CG C 25.216 0.600 5 201 555 20 LEU N N 122.573 0.300 1 202 556 21 LEU H H 7.905 0.020 1 203 556 21 LEU HA H 3.872 0.040 5 204 556 21 LEU HB2 H 1.477 0.020 1 205 556 21 LEU HB3 H 1.834 0.020 1 206 556 21 LEU HD1 H 0.781 0.020 2 207 556 21 LEU HD2 H 0.672 0.020 2 208 556 21 LEU C C 178.956 0.300 1 209 556 21 LEU CA C 55.848 0.600 5 210 556 21 LEU CB C 40.005 0.300 1 211 556 21 LEU CD1 C 21.304 0.300 1 212 556 21 LEU CD2 C 22.371 0.300 1 213 556 21 LEU N N 117.245 0.300 1 214 557 22 LEU H H 8.291 0.020 1 215 557 22 LEU HA H 3.869 0.040 5 216 557 22 LEU HB2 H 1.620 0.020 2 217 557 22 LEU HB3 H 1.458 0.020 2 218 557 22 LEU HD1 H 0.679 0.020 2 219 557 22 LEU HD2 H 0.670 0.020 2 220 557 22 LEU HG H 1.356 0.040 5 221 557 22 LEU CA C 55.962 0.600 5 222 557 22 LEU CB C 39.817 0.300 1 223 557 22 LEU CD1 C 22.595 0.300 1 224 557 22 LEU CD2 C 22.138 0.300 1 225 557 22 LEU N N 118.184 0.300 1 226 558 23 GLY H H 9.021 0.020 1 227 558 23 GLY HA2 H 3.577 0.050 2 228 558 23 GLY HA3 H 3.577 0.050 2 229 558 23 GLY CA C 45.811 0.600 1 230 558 23 GLY N N 106.576 0.300 1 231 559 24 ALA H H 8.011 0.020 1 232 559 24 ALA HA H 3.868 0.020 1 233 559 24 ALA HB H 1.385 0.020 1 234 559 24 ALA C C 178.567 0.300 1 235 559 24 ALA CA C 53.552 0.300 1 236 559 24 ALA CB C 16.206 0.300 1 237 559 24 ALA N N 121.592 0.300 1 238 560 25 ALA H H 8.264 0.020 1 239 560 25 ALA HA H 3.943 0.020 1 240 560 25 ALA HB H 1.364 0.020 1 241 560 25 ALA C C 179.116 0.300 1 242 560 25 ALA CA C 53.351 0.300 1 243 560 25 ALA CB C 17.241 0.300 1 244 560 25 ALA N N 118.624 0.300 1 245 561 26 LEU H H 8.560 0.020 1 246 561 26 LEU HA H 3.951 0.040 5 247 561 26 LEU HB2 H 1.796 0.020 2 248 561 26 LEU HB3 H 1.569 0.020 2 249 561 26 LEU HD1 H 0.890 0.020 2 250 561 26 LEU HD2 H 0.890 0.020 2 251 561 26 LEU HG H 1.637 0.040 5 252 561 26 LEU C C 178.188 0.300 1 253 561 26 LEU CA C 56.219 0.600 5 254 561 26 LEU CB C 39.958 0.300 1 255 561 26 LEU CD1 C 22.343 0.300 1 256 561 26 LEU CD2 C 22.622 0.300 1 257 561 26 LEU CG C 24.935 0.600 5 258 561 26 LEU N N 116.632 0.300 1 259 562 27 LEU H H 7.889 0.020 1 260 562 27 LEU HA H 4.017 0.040 5 261 562 27 LEU HB2 H 1.791 0.020 1 262 562 27 LEU HB3 H 2.011 0.020 1 263 562 27 LEU HD1 H 0.901 0.020 2 264 562 27 LEU HD2 H 0.808 0.020 2 265 562 27 LEU HG H 1.522 0.040 5 266 562 27 LEU C C 178.477 0.300 1 267 562 27 LEU CA C 56.287 0.600 5 268 562 27 LEU CB C 39.709 0.300 1 269 562 27 LEU CD1 C 23.196 0.300 1 270 562 27 LEU CD2 C 22.588 0.300 1 271 562 27 LEU N N 117.828 0.300 1 272 563 28 LEU H H 8.307 0.020 1 273 563 28 LEU HA H 3.960 0.040 5 274 563 28 LEU HB2 H 1.545 0.020 2 275 563 28 LEU HB3 H 1.929 0.020 2 276 563 28 LEU HD1 H 0.744 0.020 2 277 563 28 LEU HD2 H 0.773 0.020 2 278 563 28 LEU HG H 1.391 0.040 5 279 563 28 LEU C C 178.457 0.300 1 280 563 28 LEU CA C 56.283 0.600 5 281 563 28 LEU CB C 39.654 0.300 1 282 563 28 LEU CD1 C 21.177 0.300 1 283 563 28 LEU CD2 C 23.751 0.300 1 284 563 28 LEU N N 117.768 0.300 1 285 564 29 GLY H H 8.650 0.020 1 286 564 29 GLY HA2 H 3.609 0.020 2 287 564 29 GLY HA3 H 3.953 0.020 2 288 564 29 GLY C C 174.822 0.300 1 289 564 29 GLY CA C 45.740 0.300 1 290 564 29 GLY N N 105.295 0.300 1 291 565 30 ILE H H 8.330 0.020 1 292 565 30 ILE HA H 3.758 0.020 1 293 565 30 ILE HB H 2.105 0.020 1 294 565 30 ILE HD1 H 0.809 0.020 1 295 565 30 ILE HG12 H 1.942 0.020 2 296 565 30 ILE HG13 H 1.942 0.020 2 297 565 30 ILE HG2 H 0.929 0.020 1 298 565 30 ILE C C 177.349 0.300 1 299 565 30 ILE CA C 63.616 0.300 1 300 565 30 ILE CB C 35.830 0.300 1 301 565 30 ILE CD1 C 11.859 0.300 1 302 565 30 ILE CG1 C 27.481 0.300 1 303 565 30 ILE CG2 C 15.465 0.300 1 304 565 30 ILE N N 120.987 0.300 1 305 566 31 LEU H H 8.130 0.020 1 306 566 31 LEU HA H 3.967 0.040 5 307 566 31 LEU HB2 H 1.567 0.020 2 308 566 31 LEU HB3 H 1.768 0.020 2 309 566 31 LEU HD1 H 0.769 0.020 2 310 566 31 LEU HD2 H 0.789 0.020 2 311 566 31 LEU C C 179.606 0.300 1 312 566 31 LEU CA C 56.269 0.600 5 313 566 31 LEU CB C 40.269 0.300 1 314 566 31 LEU CD1 C 23.525 0.300 1 315 566 31 LEU CD2 C 21.197 0.300 1 316 566 31 LEU N N 118.687 0.300 1 317 567 32 VAL H H 8.496 0.020 1 318 567 32 VAL HA H 3.649 0.020 1 319 567 32 VAL HB H 2.126 0.020 1 320 567 32 VAL HG1 H 0.766 0.020 2 321 567 32 VAL HG2 H 0.993 0.020 2 322 567 32 VAL C C 44.775 0.300 1 323 567 32 VAL CA C 64.248 0.300 1 324 567 32 VAL CB C 29.843 0.300 1 325 567 32 VAL CG1 C 19.451 0.300 1 326 567 32 VAL CG2 C 20.885 0.300 1 327 567 32 VAL N N 118.274 0.300 1 328 568 33 PHE H H 8.391 0.020 1 329 568 33 PHE HA H 4.261 0.020 1 330 568 33 PHE HB2 H 3.259 0.020 1 331 568 33 PHE HB3 H 3.150 0.020 1 332 568 33 PHE HD1 H 7.255 0.020 1 333 568 33 PHE HD2 H 7.255 0.020 1 334 568 33 PHE HE1 H 7.230 0.020 1 335 568 33 PHE HE2 H 7.230 0.020 1 336 568 33 PHE HZ H 7.299 0.020 1 337 568 33 PHE C C 177.519 0.300 1 338 568 33 PHE CA C 59.255 0.300 1 339 568 33 PHE CB C 37.293 0.300 1 340 568 33 PHE CZ C 134.622 0.300 1 341 568 33 PHE N N 119.422 0.300 1 342 569 34 ARG H H 8.346 0.020 1 343 569 34 ARG HA H 4.129 0.020 1 344 569 34 ARG HB2 H 1.945 0.020 2 345 569 34 ARG HB3 H 2.043 0.020 2 346 569 34 ARG HD2 H 3.148 0.040 5 347 569 34 ARG HD3 H 3.254 0.040 5 348 569 34 ARG HG2 H 1.826 0.040 5 349 569 34 ARG HG3 H 1.826 0.040 5 350 569 34 ARG C C 177.209 0.300 1 351 569 34 ARG CA C 55.596 0.300 1 352 569 34 ARG CB C 28.150 0.300 1 353 569 34 ARG CD C 41.323 0.600 5 354 569 34 ARG CG C 25.531 0.600 5 355 569 34 ARG N N 116.966 0.300 1 356 570 35 SER H H 7.834 0.020 1 357 570 35 SER HA H 4.368 0.020 1 358 570 35 SER HB2 H 3.946 0.020 2 359 570 35 SER HB3 H 3.946 0.020 2 360 570 35 SER C C 174.473 0.300 1 361 570 35 SER CA C 57.937 0.300 1 362 570 35 SER CB C 61.812 0.300 1 363 570 35 SER N N 114.052 0.300 1 364 571 36 ARG H H 7.630 0.020 1 365 571 36 ARG HA H 4.316 0.020 1 366 571 36 ARG HB2 H 1.904 0.020 1 367 571 36 ARG HD2 H 3.121 0.040 5 368 571 36 ARG HG2 H 1.675 0.040 5 369 571 36 ARG HG3 H 1.607 0.040 5 370 571 36 ARG C C 175.901 0.300 1 371 571 36 ARG CA C 54.064 0.300 1 372 571 36 ARG CB C 28.753 0.300 1 373 571 36 ARG CD C 41.340 0.600 5 374 571 36 ARG CG C 25.127 0.600 5 375 571 36 ARG N N 120.458 0.300 1 376 572 37 ARG H H 7.935 0.020 1 377 572 37 ARG HA H 4.312 0.020 1 378 572 37 ARG HB2 H 1.777 0.020 1 379 572 37 ARG HB3 H 1.865 0.020 1 380 572 37 ARG HD2 H 3.130 0.040 5 381 572 37 ARG HG2 H 1.620 0.040 5 382 572 37 ARG C C 174.752 0.300 1 383 572 37 ARG CA C 54.001 0.300 1 384 572 37 ARG CB C 28.692 0.300 1 385 572 37 ARG CD C 41.269 0.600 5 386 572 37 ARG CG C 25.042 0.600 5 387 572 37 ARG N N 121.135 0.300 1 388 573 38 ALA H H 7.790 0.020 1 389 573 38 ALA HA H 4.108 0.020 1 390 573 38 ALA HB H 1.315 0.020 1 391 573 38 ALA CA C 51.720 0.300 1 392 573 38 ALA CB C 18.293 0.300 1 393 573 38 ALA N N 110.202 0.300 1 stop_ save_ ######################## # Coupling constants # ######################## save_hnha _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D HNHA' stop_ _Sample_conditions_label $pH_4.3 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'EphA1 TM chain A' _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 4 VAL H 4 VAL HA 8.40 . . 0.00 2 3JHNHA 5 SER H 5 SER HA 8.89 . . 0.00 3 3JHNHA 6 ARG H 6 ARG HA 7.76 . . 0.01 4 3JHNHA 7 GLY H 7 GLY HA2 5.46 . . 0.03 5 3JHNHA 7 GLY H 7 GLY HA3 5.55 . . 0.03 6 3JHNHA 8 LEU H 8 LEU HA 5.83 . . 0.07 7 3JHNHA 10 GLY H 10 GLY HA2 4.10 . . 0.90 8 3JHNHA 10 GLY H 10 GLY HA3 5.18 . . 0.65 9 3JHNHA 11 GLY H 11 GLY HA2 4.71 . . 0.94 10 3JHNHA 11 GLY H 11 GLY HA3 5.19 . . 0.81 11 3JHNHA 12 GLU H 12 GLU HA 3.26 . . 1.64 12 3JHNHA 14 VAL H 14 VAL HA 4.38 . . 0.48 13 3JHNHA 15 ALA H 15 ALA HA 3.80 . . 0.52 14 3JHNHA 16 VAL H 16 VAL HA 3.33 . . 0.73 15 3JHNHA 17 ILE H 17 ILE HA 5.57 . . 1.58 16 3JHNHA 18 PHE H 18 PHE HA 2.35 . . 1.96 17 3JHNHA 19 GLY H 19 GLY HA2 2.94 . . 1.13 18 3JHNHA 20 LEU H 20 LEU HA 2.95 . . 2.40 19 3JHNHA 21 LEU H 21 LEU HA 6.15 . . 2.67 20 3JHNHA 22 LEU H 22 LEU HA 5.18 . . 1.91 21 3JHNHA 25 ALA H 25 ALA HA 1.09 . . 0.08 22 3JHNHA 27 LEU H 27 LEU HA 3.92 . . 1.00 23 3JHNHA 28 LEU H 28 LEU HA 3.16 . . 1.18 24 3JHNHA 29 GLY H 29 GLY HA2 5.54 . . 0.35 25 3JHNHA 30 ILE H 30 ILE HA 5.69 . . 0.26 26 3JHNHA 31 LEU H 31 LEU HA 5.30 . . 0.57 27 3JHNHA 32 VAL H 32 VAL HA 4.64 . . 0.32 28 3JHNHA 33 PHE H 33 PHE HA 4.38 . . 0.15 29 3JHNHA 34 ARG H 34 ARG HA 5.43 . . 0.13 30 3JHNHA 35 SER H 35 SER HA 6.82 . . 0.01 31 3JHNHA 36 ARG H 36 ARG HA 6.50 . . 0.02 32 3JHNHA 37 ARG H 37 ARG HA 7.89 . . 0.00 33 3JHNHA 38 ALA H 38 ALA HA 6.81 . . 0.00 stop_ save_ save_hnhb _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D HNHB' stop_ _Sample_conditions_label $pH_4.3 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'EphA1 TM chain A' _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 3JHNHB 14 VAL N 14 VAL HB 5 . . 0.5 2 3JHNHB 16 VAL N 16 VAL HB 1 . . 0.5 3 3JHNHB 17 ILE N 17 ILE HB 1 . . 0.5 4 3JHNHB 18 PHE N 18 PHE HB2 1 . . 0.5 5 3JHNHB 18 PHE N 18 PHE HB3 1 . . 0.5 6 3JHNHB 20 LEU N 20 LEU HB2 1 . . 0.5 7 3JHNHB 20 LEU N 20 LEU HB3 1 . . 0.5 8 3JHNHB 21 LEU N 21 LEU HB2 5 . . 0.5 9 3JHNHB 21 LEU N 21 LEU HB3 1 . . 0.5 10 3JHNHB 22 LEU N 22 LEU HB2 5 . . 0.5 11 3JHNHB 22 LEU N 22 LEU HB3 1 . . 0.5 12 3JHNHB 26 LEU N 26 LEU HB2 1 . . 0.5 13 3JHNHB 26 LEU N 26 LEU HB3 1 . . 0.5 14 3JHNHB 27 LEU N 27 LEU HB2 1 . . 0.5 15 3JHNHB 27 LEU N 27 LEU HB3 1 . . 0.5 16 3JHNHB 28 LEU N 28 LEU HB2 1 . . 0.5 17 3JHNHB 28 LEU N 28 LEU HB3 1 . . 0.5 18 3JHNHB 30 ILE N 30 ILE HB 1 . . 0.5 19 3JHNHB 31 LEU N 31 LEU HB2 5 . . 0.5 20 3JHNHB 31 LEU N 31 LEU HB3 1 . . 0.5 21 3JHNHB 32 VAL N 32 VAL HB 1 . . 0.5 22 3JHNHB 33 PHE N 33 PHE HB2 5 . . 0.5 23 3JHNHB 33 PHE N 33 PHE HB3 1 . . 0.5 stop_ save_ save_T1_relax _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $EphA1_TM_15N_homodimer stop_ _Sample_conditions_label $pH_4.3 _Spectrometer_frequency_1H 600 _T1_coherence_type N15 _T1_value_units s _Mol_system_component_name 'EphA1 TM chain A' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 VAL N 9.56900e-01 6.56000e-03 2 5 SER N 8.12600e-01 1.22500e-02 3 6 ARG N 7.56700e-01 1.01600e-02 4 7 GLY N 7.49500e-01 7.73400e-03 5 8 LEU N 8.58700e-01 1.72500e-02 6 9 THR N 1.03500e+00 6.37400e-02 7 10 GLY N 1.09400e+00 3.98300e-02 8 11 GLY N 1.14500e+00 3.62400e-02 9 12 GLU N 1.14700e+00 4.76000e-02 10 13 ILE N 1.17500e+00 3.71100e-02 11 14 VAL N 1.29400e+00 3.86200e-02 12 15 ALA N 1.27900e+00 4.57500e-02 13 16 VAL N 1.28900e+00 4.00100e-02 14 17 ILE N 1.25000e+00 1.18000e-01 15 18 PHE N 1.25400e+00 6.91600e-02 16 19 GLY N 1.24600e+00 4.06500e-02 17 20 LEU N 1.22700e+00 1.38600e-01 18 21 LEU N 1.41000e+00 8.95000e-02 19 22 LEU N 1.36100e+00 5.01700e-02 20 23 GLY N 1.26100e+00 2.01700e-01 21 24 ALA N 1.40100e+00 2.01700e-01 22 25 ALA N 1.30100e+00 2.01700e-01 23 26 LEU N 1.20900e+00 7.42500e-02 24 27 LEU N 1.30100e+00 8.98200e-02 25 28 LEU N 1.24900e+00 4.98200e-02 26 29 GLY N 1.27300e+00 4.27800e-02 27 30 ILE N 1.19900e+00 3.07700e-02 28 31 LEU N 1.10200e+00 3.63600e-02 29 32 VAL N 1.15700e+00 5.46400e-02 30 33 PHE N 1.13100e+00 4.13800e-02 31 34 ARG N 1.00900e+00 2.38900e-02 32 35 SER N 9.02600e-01 1.29200e-02 33 36 ARG N 8.12700e-01 1.43300e-02 34 37 ARG N 7.05900e-01 5.54600e-03 35 38 ALA N 9.53600e-01 4.38400e-03 stop_ save_ save_T2_relax _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $EphA1_TM_15N_homodimer stop_ _Sample_conditions_label $pH_4.3 _Spectrometer_frequency_1H 600 _T2_coherence_type cpmg _T2_value_units s _Mol_system_component_name 'EphA1 TM chain A' _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 4 VAL N 4.30300e-01 3.30400e-03 . . 2 5 SER N 3.21800e-01 1.52800e-03 . . 3 6 ARG N 2.28400e-01 1.85600e-03 . . 4 7 GLY N 1.62400e-01 8.38600e-04 . . 5 8 LEU N 9.35800e-02 9.21600e-04 . . 6 9 THR N 6.46500e-02 3.93200e-03 . . 7 10 GLY N 5.22300e-02 9.80100e-04 . . 8 11 GLY N 4.86400e-02 9.77200e-04 . . 9 12 GLU N 5.12000e-02 1.23200e-03 . . 10 13 ILE N 4.99100e-02 1.59000e-03 . . 11 14 VAL N 5.33100e-02 3.64400e-03 . . 12 15 ALA N 4.58900e-02 2.06300e-03 . . 13 16 VAL N 4.71600e-02 3.00300e-03 . . 14 18 PHE N 4.52400e-02 4.26500e-03 . . 15 19 GLY N 4.38600e-02 2.43200e-03 . . 16 20 LEU N 3.52500e-02 1.75800e-02 . . 17 21 LEU N 7.00600e-02 1.07400e-02 . . 18 22 LEU N 4.35900e-02 2.77300e-03 . . 19 23 GLY N 6.39800e-02 5.33800e-02 . . 20 24 ALA N 4.39800e-02 5.33800e-02 . . 21 25 ALA N 3.39800e-02 5.33800e-02 . . 22 26 LEU N 6.21400e-02 1.17400e-02 . . 23 27 LEU N 7.05700e-02 8.98800e-03 . . 24 28 LEU N 4.72200e-02 1.82800e-03 . . 25 29 GLY N 4.87300e-02 1.45000e-03 . . 26 30 ILE N 4.65800e-02 2.12300e-03 . . 27 31 LEU N 7.38700e-02 6.31100e-03 . . 28 32 VAL N 5.36000e-02 5.82000e-03 . . 29 33 PHE N 4.59200e-02 2.22300e-03 . . 30 34 ARG N 5.49300e-02 8.96800e-04 . . 31 35 SER N 6.75900e-02 4.07800e-04 . . 32 36 ARG N 8.73300e-02 6.67600e-04 . . 33 37 ARG N 1.72800e-01 1.80400e-03 . . 34 38 ALA N 4.33100e-01 2.44900e-03 . . stop_ save_ save_heteronuclear_NOE _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label 15N-NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $pH_4.3 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'EphA1 TM chain A' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type N15 _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 8 LEU 3.47912e-01 1.10931e-02 9 THR 5.25544e-01 5.68391e-02 10 GLY 6.32701e-01 2.11385e-02 11 GLY 6.36944e-01 2.27953e-02 12 GLU 6.56452e-01 3.04661e-02 13 ILE 7.32662e-01 2.33691e-02 14 VAL 6.96317e-01 2.19944e-02 15 ALA 7.79082e-01 2.52271e-02 16 VAL 6.89441e-01 3.12464e-02 17 ILE 8.19114e-01 1.02395e-01 18 PHE 6.97914e-01 4.43061e-02 19 GLY 6.95214e-01 3.63499e-02 20 LEU 8.75491e-01 7.88064e-02 21 LEU 8.08992e-01 1.36592e-01 22 LEU 6.88513e-01 2.69831e-02 23 GLY 7.13877e-01 1.39530e-01 24 ALA 8.92299e-01 1.65483e-01 25 ALA 8.12299e-01 1.65483e-01 26 LEU 6.44900e-01 6.85284e-02 27 LEU 6.11716e-01 4.51070e-02 28 LEU 6.58767e-01 3.01689e-02 29 GLY 7.61721e-01 2.75121e-02 30 ILE 7.56383e-01 2.90003e-02 31 LEU 5.91351e-01 2.34102e-02 32 VAL 6.42305e-01 5.27473e-02 33 PHE 7.25317e-01 2.67364e-02 34 ARG 6.53911e-01 2.22313e-02 35 SER 4.74033e-01 9.02698e-03 36 ARG 4.06532e-01 9.81500e-03 37 ARG 1.64722e-01 6.22373e-03 stop_ save_ save_pH_titration_list_1 _Saveframe_category pKa_value_data_set _Details ; pKa hill coef 544 THR 5.14 1.55 547 GLU 5.20 1.55 ; loop_ _Sample_label $EphA1_TM_15N_homodimer $EphA1_TM_15N_homodimer stop_ _Sample_conditions_label $pH_4.3 _Expt_observed_parameter 'chemical shift' _Text_data_format . _Text_data . save_ save_pH_parameter_list_1 _Saveframe_category pH_NMR_parameter_list _pKa_value_data_set_label $pH_titration_list_1 _Details ; 1H pH 547 GLU 7.988245 6.3 7.972079 5.9 7.962130 5.7 7.949694 5.55 7.923578 5.4 7.906168 5.25 7.883783 5.1 7.865129 4.95 7.840257 4.7 7.809166 4.5 7.809166 4.2 544 THR 8.902080 6.3 8.857987 5.9 8.829954 5.7 8.750954 5.55 8.677050 5.4 8.619621 5.25 8.532793 5.1 8.448277 4.95 8.344866 4.7 8.198627 4.5 8.196538 4.2 ; _Text_data_format . _Text_data . loop_ _pKa_list_number _pH_value _pH_value_error _Observed_NMR_parameter_value _Observed_NMR_parameter_value_error 2 7.809166 4.2 . . 2 7.840257 4.7 . . 2 7.809166 4.5 . . 2 7.883783 5.1 . . 2 7.865129 4.95 . . 2 7.923578 5.4 . . 2 7.906168 5.25 . . 2 7.962130 5.7 . . 2 7.949694 5.55 . . 2 7.988245 6.3 . . 2 7.972079 5.9 . . 3 8.198627 4.5 . . 3 8.196538 4.2 . . 3 8.448277 4.95 . . 3 8.344866 4.7 . . 3 8.619621 5.25 . . 3 8.532793 5.1 . . 3 8.750954 5.55 . . 3 8.677050 5.4 . . 3 8.857987 5.9 . . 3 8.829954 5.7 . . 3 8.902080 6.3 . . stop_ save_