data_4454 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for Titin Z-repeat 7 in the Complex with Alpha-actinin C-terminal EF-hands ; _BMRB_accession_number 4454 _BMRB_flat_file_name bmr4454.str _Entry_type original _Submission_date 1999-11-10 _Accession_date 1999-11-10 _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 Atkinson R. Andrew . 2 Joseph Catherine . . 3 'Dal Piaz' Fabrizio . . 4 Birolo Leyla . . 5 Stier Gunter . . 6 Pucci Piero . . 7 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "15N chemical shifts" 31 "coupling constants" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-22 original author . stop_ _Original_release_date 2000-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Binding of Alpha-actinin to Titin: Implications for Z-disk Assembly' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Atkinson R. Andrew . 2 Joseph Catherine . . 3 'Dal Piaz' Fabrizio . . 4 Birolo Leyla . . 5 Stier Gunter . . 6 Pucci Piero . . 7 Pastore Annalisa . . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue na _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 92250531 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_reference_2 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 97092327 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_actinin_titin _Saveframe_category molecular_system _Mol_system_name 'alpha-actinin/titin complex' _Abbreviation_common actinin/titin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'alpha-actinin_C-terminal EF-hands' $EF34 'titin Z-repeat 7' $ZR7 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'fully reduced' loop_ _Biological_function 'components of Z-disk in muscle sarcomere' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EF34 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'alpha-actinin C-terminal EF-hands' _Abbreviation_common EF34 _Molecular_mass 8071.05 _Mol_thiol_state 'fully reduced' _Details 'reported molecular mass is for unlabelled protein"' ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GAMADTDTAEQVIASFRILA SDKPYILAEELRRELPPDQA QYCIKRMPAYSGPGSVPGAL DYAAFSSALYGESDL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 ASP 6 THR 7 ASP 8 THR 9 ALA 10 GLU 11 GLN 12 VAL 13 ILE 14 ALA 15 SER 16 PHE 17 ARG 18 ILE 19 LEU 20 ALA 21 SER 22 ASP 23 LYS 24 PRO 25 TYR 26 ILE 27 LEU 28 ALA 29 GLU 30 GLU 31 LEU 32 ARG 33 ARG 34 GLU 35 LEU 36 PRO 37 PRO 38 ASP 39 GLN 40 ALA 41 GLN 42 TYR 43 CYS 44 ILE 45 LYS 46 ARG 47 MET 48 PRO 49 ALA 50 TYR 51 SER 52 GLY 53 PRO 54 GLY 55 SER 56 VAL 57 PRO 58 GLY 59 ALA 60 LEU 61 ASP 62 TYR 63 ALA 64 ALA 65 PHE 66 SER 67 SER 68 ALA 69 LEU 70 TYR 71 GLY 72 GLU 73 SER 74 ASP 75 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17626 Act2-EF34 100.00 75 100.00 100.00 4.17e-45 BMRB 17627 Act2-EF34 100.00 75 100.00 100.00 4.17e-45 BMRB 4453 "alpha-actinin C-terminal EF-hands" 100.00 75 100.00 100.00 4.17e-45 PDB 1H8B "Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin" 100.00 75 100.00 100.00 4.17e-45 PDB 4D1E "The Crystal Structure Of Human Muscle Alpha-actinin-2" 96.00 876 100.00 100.00 7.65e-41 DBJ BAB22865 "unnamed protein product [Mus musculus]" 96.00 225 97.22 97.22 1.70e-41 DBJ BAD92758 "actinin, alpha 2 variant [Homo sapiens]" 96.00 664 100.00 100.00 1.07e-40 DBJ BAG37672 "unnamed protein product [Homo sapiens]" 96.00 894 100.00 100.00 7.52e-41 DBJ BAH11921 "unnamed protein product [Homo sapiens]" 96.00 803 98.61 98.61 1.84e-40 DBJ BAH12587 "unnamed protein product [Homo sapiens]" 96.00 679 100.00 100.00 1.20e-40 EMBL CAB61269 "alpha-actinin 2 protein [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAA51583 "alpha-actinin [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAF76325 "alpha-actinin 2 [Mus musculus]" 96.00 894 97.22 97.22 1.12e-39 GB AAH47901 "Actinin, alpha 2 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAH51770 "Actinin, alpha 2 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 GB AAH89579 "Actinin alpha 2 [Mus musculus]" 96.00 894 97.22 97.22 1.20e-39 REF NP_001029807 "alpha-actinin-2 [Bos taurus]" 96.00 894 98.61 98.61 2.41e-40 REF NP_001094 "alpha-actinin-2 isoform 1 [Homo sapiens]" 96.00 894 100.00 100.00 6.75e-41 REF NP_001163796 "alpha-actinin-2 [Rattus norvegicus]" 96.00 894 97.22 97.22 1.33e-39 REF NP_001230595 "alpha-actinin-2 [Sus scrofa]" 96.00 894 98.61 98.61 2.61e-40 REF NP_001265272 "alpha-actinin-2 isoform 2 [Homo sapiens]" 96.00 894 100.00 100.00 7.52e-41 SP P35609 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 100.00 100.00 6.75e-41 SP Q3ZC55 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 98.61 98.61 2.41e-40 SP Q9JI91 "RecName: Full=Alpha-actinin-2; AltName: Full=Alpha-actinin skeletal muscle isoform 2; AltName: Full=F-actin cross-linking prote" 96.00 894 97.22 97.22 1.33e-39 stop_ save_ save_ZR7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'titin Z-repeat 7' _Abbreviation_common ZR7 _Molecular_mass 5659.33 _Mol_thiol_state 'not reported' _Details 'reported molecular mass is for unlabelled protein' _Residue_count 51 _Mol_residue_sequence ; MGKVGVGKKAEAVATVVAAV DQARVREPREPGLPEDSYAQ QTTLEYGYKEH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 VAL 5 GLY 6 VAL 7 GLY 8 LYS 9 LYS 10 ALA 11 GLU 12 ALA 13 VAL 14 ALA 15 THR 16 VAL 17 VAL 18 ALA 19 ALA 20 VAL 21 ASP 22 GLN 23 ALA 24 ARG 25 VAL 26 ARG 27 GLU 28 PRO 29 ARG 30 GLU 31 PRO 32 GLY 33 LEU 34 PRO 35 GLU 36 ASP 37 SER 38 TYR 39 ALA 40 GLN 41 GLN 42 THR 43 THR 44 LEU 45 GLU 46 TYR 47 GLY 48 TYR 49 LYS 50 GLU 51 HIS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 EMBL CAA77028 'titin [Oryctolagus cuniculus]' 98.04 2000 100.00 100.00 2.13e-12 PDB 1H8B 'Ef-Hands 3,4 From Alpha-Actinin Z-Repeat 7 From Titin' 100.00 53 100.00 100.00 9.80e-21 BMRB 4453 'titin Z-repeat 7' 100.00 53 100.00 100.00 9.80e-21 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $EF34 human 9606 Eukaryota Metazoa Homo sapiens 'skeletal muscle' $ZR7 Rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 'cardiac muscle' 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 $EF34 'recombinant technology' . . . . . $ZR7 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $EF34 0.7 mM . $ZR7 0.7 mM [U-15N] 'sodium phosphate' 20.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version . loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_one save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_one save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_one save_ save_3D_15N_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _Sample_label $sample_one save_ save_3D_15N_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _Sample_label $sample_one save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_one save_ save_3D_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 na temperature 300 0.5 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 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 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_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'titin Z-repeat 7' _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 . 5 GLY N N 108.7 0.05 1 2 . 5 GLY H H 8.39 0.02 1 3 . 5 GLY HA2 H 3.88 0.02 1 4 . 5 GLY HA3 H 3.88 0.02 1 5 . 6 VAL N N 123.0 0.05 1 6 . 6 VAL H H 8.04 0.02 1 7 . 6 VAL HA H 4.59 0.02 1 8 . 6 VAL HB H 1.55 0.02 1 9 . 6 VAL HG1 H 0.88 0.02 1 10 . 6 VAL HG2 H 0.88 0.02 1 11 . 10 ALA N N 122.7 0.05 1 12 . 10 ALA H H 8.03 0.02 1 13 . 10 ALA HA H 4.12 0.02 1 14 . 10 ALA HB H 1.34 0.02 1 15 . 11 GLU N N 118.9 0.05 1 16 . 11 GLU H H 7.96 0.02 1 17 . 11 GLU HA H 4.01 0.02 1 18 . 11 GLU HB2 H 2.05 0.02 1 19 . 11 GLU HB3 H 2.05 0.02 1 20 . 12 ALA N N 124.6 0.05 1 21 . 12 ALA H H 7.83 0.02 1 22 . 12 ALA HA H 4.16 0.02 1 23 . 12 ALA HB H 1.57 0.02 1 24 . 13 VAL N N 118.0 0.05 1 25 . 13 VAL H H 8.37 0.02 1 26 . 13 VAL HA H 3.20 0.02 1 27 . 13 VAL HB H 2.11 0.02 1 28 . 13 VAL HG1 H 1.11 0.02 2 29 . 13 VAL HG2 H 0.92 0.02 2 30 . 14 ALA N N 119.8 0.05 1 31 . 14 ALA H H 7.70 0.02 1 32 . 14 ALA HA H 3.97 0.02 1 33 . 14 ALA HB H 1.44 0.02 1 34 . 15 THR N N 116.8 0.05 1 35 . 15 THR H H 8.14 0.02 1 36 . 15 THR HA H 3.83 0.02 1 37 . 15 THR HB H 4.33 0.02 1 38 . 15 THR HG2 H 1.03 0.02 1 39 . 16 VAL N N 121.9 0.05 1 40 . 16 VAL H H 7.94 0.02 1 41 . 16 VAL HA H 3.29 0.02 1 42 . 16 VAL HB H 1.77 0.02 1 43 . 16 VAL HG1 H 0.35 0.02 2 44 . 16 VAL HG2 H 0.12 0.02 2 45 . 17 VAL N N 119.5 0.05 1 46 . 17 VAL H H 8.91 0.02 1 47 . 17 VAL HA H 3.24 0.02 1 48 . 17 VAL HB H 2.05 0.02 1 49 . 17 VAL HG1 H 0.92 0.02 2 50 . 17 VAL HG2 H 0.83 0.02 2 51 . 18 ALA N N 119.0 0.05 1 52 . 18 ALA H H 7.66 0.02 1 53 . 18 ALA HA H 4.12 0.02 1 54 . 18 ALA HB H 1.46 0.02 1 55 . 19 ALA N N 120.8 0.05 1 56 . 19 ALA H H 7.65 0.02 1 57 . 19 ALA HA H 4.17 0.02 1 58 . 19 ALA HB H 1.54 0.02 1 59 . 20 VAL N N 119.0 0.05 1 60 . 20 VAL H H 8.77 0.02 1 61 . 20 VAL HA H 3.52 0.02 1 62 . 20 VAL HB H 2.14 0.02 1 63 . 20 VAL HG1 H 1.17 0.02 2 64 . 20 VAL HG2 H 0.89 0.02 2 65 . 21 ASP N N 121.0 0.05 1 66 . 21 ASP H H 8.77 0.02 1 67 . 21 ASP HA H 4.30 0.02 1 68 . 21 ASP HB2 H 2.75 0.02 2 69 . 21 ASP HB3 H 2.48 0.02 2 70 . 22 GLN N N 117.9 0.05 1 71 . 22 GLN H H 7.68 0.02 1 72 . 22 GLN HA H 4.05 0.02 1 73 . 22 GLN HB2 H 2.23 0.02 2 74 . 22 GLN HB3 H 2.10 0.02 2 75 . 22 GLN HG2 H 2.35 0.02 1 76 . 22 GLN HG3 H 2.35 0.02 1 77 . 23 ALA N N 121.9 0.05 1 78 . 23 ALA H H 7.46 0.02 1 79 . 23 ALA HA H 4.07 0.02 1 80 . 23 ALA HB H 1.49 0.02 1 81 . 24 ARG N N 117.2 0.05 1 82 . 24 ARG H H 8.16 0.02 1 83 . 24 ARG HA H 3.85 0.02 1 84 . 24 ARG HB2 H 1.55 0.02 1 85 . 24 ARG HB3 H 1.55 0.02 1 86 . 25 VAL N N 115.7 0.05 1 87 . 25 VAL H H 7.36 0.02 1 88 . 25 VAL HA H 3.97 0.02 1 89 . 25 VAL HB H 2.21 0.02 1 90 . 25 VAL HG1 H 0.96 0.02 1 91 . 25 VAL HG2 H 0.96 0.02 1 92 . 26 ARG N N 119.0 0.05 1 93 . 26 ARG H H 7.34 0.02 1 94 . 26 ARG HA H 4.27 0.02 1 95 . 26 ARG HB2 H 1.94 0.02 2 96 . 26 ARG HB3 H 1.79 0.02 2 97 . 26 ARG HG2 H 1.63 0.02 1 98 . 26 ARG HG3 H 1.63 0.02 1 99 . 27 GLU N N 121.8 0.05 1 100 . 27 GLU H H 7.57 0.02 1 101 . 27 GLU HA H 4.53 0.02 1 102 . 27 GLU HB2 H 2.03 0.02 1 103 . 27 GLU HB3 H 2.03 0.02 1 104 . 27 GLU HG2 H 2.38 0.02 1 105 . 27 GLU HG3 H 2.38 0.02 1 106 . 29 ARG N N 122.0 0.05 1 107 . 29 ARG H H 8.41 0.02 1 108 . 29 ARG HA H 4.27 0.02 1 109 . 29 ARG HB2 H 1.73 0.02 2 110 . 29 ARG HB3 H 1.64 0.02 2 111 . 30 GLU N N 124.2 0.05 1 112 . 30 GLU H H 8.46 0.02 1 113 . 30 GLU HA H 4.52 0.02 1 114 . 30 GLU HB2 H 2.00 0.02 2 115 . 30 GLU HB3 H 1.86 0.02 2 116 . 30 GLU HG2 H 2.25 0.02 1 117 . 30 GLU HG3 H 2.25 0.02 1 118 . 35 GLU N N 120.9 0.05 1 119 . 35 GLU H H 8.61 0.02 1 120 . 35 GLU HA H 4.13 0.02 1 121 . 35 GLU HB2 H 2.00 0.02 2 122 . 35 GLU HB3 H 1.91 0.02 2 123 . 35 GLU HG2 H 2.23 0.02 1 124 . 35 GLU HG3 H 2.23 0.02 1 125 . 36 ASP N N 120.8 0.05 1 126 . 36 ASP H H 8.26 0.02 1 127 . 36 ASP HA H 4.54 0.02 1 128 . 36 ASP HB2 H 2.61 0.02 2 129 . 36 ASP HB3 H 2.23 0.02 2 130 . 37 SER N N 116.0 0.05 1 131 . 37 SER H H 8.09 0.02 1 132 . 37 SER HA H 4.29 0.02 1 133 . 37 SER HB2 H 3.73 0.02 1 134 . 37 SER HB3 H 3.73 0.02 1 135 . 38 TYR N N 121.7 0.05 1 136 . 38 TYR H H 8.06 0.02 1 137 . 38 TYR HA H 4.46 0.02 1 138 . 38 TYR HB2 H 3.05 0.02 2 139 . 38 TYR HB3 H 2.95 0.02 2 140 . 42 THR N N 115.3 0.05 1 141 . 42 THR H H 8.19 0.02 1 142 . 42 THR HA H 4.33 0.02 1 143 . 42 THR HB H 4.14 0.02 1 144 . 42 THR HG2 H 1.11 0.02 1 145 . 43 THR N N 116.5 0.05 1 146 . 43 THR H H 8.08 0.02 1 147 . 43 THR HA H 4.29 0.02 1 148 . 43 THR HB H 4.16 0.02 1 149 . 43 THR HG2 H 1.11 0.02 1 150 . 46 TYR N N 120.9 0.05 1 151 . 46 TYR H H 8.12 0.02 1 152 . 46 TYR HA H 4.46 0.02 1 153 . 46 TYR HB2 H 2.95 0.02 2 154 . 46 TYR HB3 H 2.86 0.02 2 155 . 47 GLY N N 110.3 0.05 1 156 . 47 GLY H H 8.20 0.02 1 157 . 47 GLY HA2 H 3.80 0.02 2 158 . 47 GLY HA3 H 3.57 0.02 2 159 . 48 TYR N N 120.4 0.05 1 160 . 48 TYR H H 7.89 0.02 1 161 . 48 TYR HA H 4.43 0.02 1 162 . 48 TYR HB2 H 2.92 0.02 1 163 . 48 TYR HB3 H 2.92 0.02 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H . _Mol_system_component_name 'titin Z-repeat 7' _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 5 GLY H 5 GLY HA 7.5 . . 0.1 2 3JHNHA 6 VAL H 6 VAL HA 6.1 . . 0.1 3 3JHNHA 10 ALA H 10 ALA HA 2.8 . . 0.1 4 3JHNHA 11 GLU H 11 GLU HA 3.7 . . 0.1 5 3JHNHA 12 ALA H 12 ALA HA 3.0 . . 0.1 6 3JHNHA 13 VAL H 13 VAL HA 2.8 . . 0.1 7 3JHNHA 14 ALA H 14 ALA HA 2.5 . . 0.1 8 3JHNHA 15 THR H 15 THR HA 3.5 . . 0.1 9 3JHNHA 16 VAL H 16 VAL HA 3.7 . . 0.1 10 3JHNHA 17 VAL H 17 VAL HA 1.5 . . 0.1 11 3JHNHA 18 ALA H 18 ALA HA 2.9 . . 0.1 12 3JHNHA 19 ALA H 19 ALA HA 3.8 . . 0.1 13 3JHNHA 20 VAL H 20 VAL HA 2.8 . . 0.1 14 3JHNHA 21 ASP H 21 ASP HA 2.3 . . 0.1 15 3JHNHA 22 GLN H 22 GLN HA 3.8 . . 0.1 16 3JHNHA 23 ALA H 23 ALA HA 4.7 . . 0.1 17 3JHNHA 24 ARG H 24 ARG HA 3.5 . . 0.1 18 3JHNHA 25 VAL H 25 VAL HA 6.0 . . 0.1 19 3JHNHA 26 ARG H 26 ARG HA 6.8 . . 0.1 20 3JHNHA 27 GLU H 27 GLU HA 5.0 . . 0.1 21 3JHNHA 29 ARG H 29 ARG HA 5.7 . . 0.1 22 3JHNHA 30 GLU H 30 GLU HA 5.3 . . 0.1 23 3JHNHA 35 GLU H 35 GLU HA 4.9 . . 0.1 24 3JHNHA 36 ASP H 36 ASP HA 5.7 . . 0.1 25 3JHNHA 37 SER H 37 SER HA 5.6 . . 0.1 26 3JHNHA 38 TYR H 38 TYR HA 6.0 . . 0.1 27 3JHNHA 42 THR H 42 THR HA 4.3 . . 0.1 28 3JHNHA 43 THR H 43 THR HA 5.8 . . 0.1 29 3JHNHA 46 TYR H 46 TYR HA 5.8 . . 0.1 30 3JHNHA 47 GLY H 47 GLY HA 5.8 . . 0.1 31 3JHNHA 48 TYR H 48 TYR HA 5.4 . . 0.1 stop_ save_