data_7208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7208 _Entry.Title ; 1H, 13C, 15N Chemical shift assignment for Glycophorine A in bicelles and micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-04 _Entry.Accession_date 2006-07-04 _Entry.Last_release_date 2007-01-09 _Entry.Original_release_date 2007-01-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Konstantin Mineev . S. . 7208 2 Eduard Bocharov . V. . 7208 3 Innokenty Maslennikov . V. . 7208 4 Marina Goncharuk . V. . 7208 5 Alexander Arseniev . S. . 7208 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'IBCh RAS' . 7208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 7208 coupling_constants 2 7208 heteronucl_T1_relaxation 2 7208 heteronucl_T2_relaxation 2 7208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 7208 '15N chemical shifts' 71 7208 '1H chemical shifts' 567 7208 'coupling constants' 84 7208 'T1 relaxation values' 64 7208 'T2 relaxation values' 64 7208 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-09 2006-07-04 original author . 7208 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and dynamics of glycophorin A TM segment in micelles and bicelles' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Konstantin Mineev . S. . 7208 1 2 Eduard Bocharov . V. . 7208 1 3 Innokenty Maslennikov . V. . 7208 1 4 Marina Goncharuk . V. . 7208 1 5 Alexander Arseniev . S. . 7208 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 7208 1 dimer 7208 1 glycophorin 7208 1 'membrane mimetics' 7208 1 structure 7208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7208 _Assembly.ID 1 _Assembly.Name GpATM _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 4230 _Assembly.Enzyme_commission_number . _Assembly.Details 'dimer of Glycophorin A transmembrane segments' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'dimer of Glycophorin A transmembrane segments A' 1 $GpATM . . yes native no no . . . 7208 1 2 'dimer of Glycophorin A transmembrane segments B' 1 $GpATM . . yes native no no . . . 7208 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'not available' 7208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GpATM _Entity.Sf_category entity _Entity.Sf_framecode GpATM _Entity.Entry_ID 7208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GpATM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RVQLAHHFSEPEITLIIFGV MAGVIGTILLISYGIRRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4235 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AFO . "Dimeric Transmembrane Domain Of Human Glycophorin A, Nmr, 20 Structures" . . . . . 97.37 40 100.00 100.00 1.07e-15 . . . . 7208 1 2 no PDB 2KPE . "Refined Structure Of Glycophorin A Transmembrane Segment Dimer In Dpc Micelles" . . . . . 76.32 29 100.00 100.00 5.00e-09 . . . . 7208 1 3 no PDB 2KPF . "Spatial Structure Of The Dimeric Transmembrane Domain Of Glycophorin A In Bicelles Soluton" . . . . . 100.00 38 100.00 100.00 2.22e-16 . . . . 7208 1 4 no DBJ BAF83250 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.69e-17 . . . . 7208 1 5 no EMBL CAA30843 . "preglycophorin A [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.53e-17 . . . . 7208 1 6 no EMBL CAA36095 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.69e-17 . . . . 7208 1 7 no EMBL CAC83868 . "Glycophorin A [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 4.15e-17 . . . . 7208 1 8 no EMBL CAC83869 . "Glycophorin A [Homo sapiens]" . . . . . 100.00 132 97.37 100.00 2.97e-16 . . . . 7208 1 9 no EMBL CAC83870 . "Glycophorin A [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 4.71e-17 . . . . 7208 1 10 no GB AAA18258 . "glycophorin Erik I-IV [Homo sapiens]" . . . . . 100.00 85 100.00 100.00 8.16e-17 . . . . 7208 1 11 no GB AAA52624 . "glycophorin A precursor, partial [Homo sapiens]" . . . . . 100.00 148 100.00 100.00 1.03e-16 . . . . 7208 1 12 no GB AAA52768 . "glycophorin A [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.69e-17 . . . . 7208 1 13 no GB AAA88044 . "glycophorin A precursor [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 9.29e-17 . . . . 7208 1 14 no GB AAA88051 . "glycophorin A [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.69e-17 . . . . 7208 1 15 no PRF 0412211A . "glycophorin AM" . . . . . 100.00 131 100.00 100.00 4.15e-17 . . . . 7208 1 16 no PRF 1311302A . "glycophorin alpha" . . . . . 100.00 131 97.37 97.37 1.05e-16 . . . . 7208 1 17 no PRF 1314320A . "glycophorin A" . . . . . 100.00 153 100.00 100.00 8.55e-17 . . . . 7208 1 18 no PRF 1605205A . "glycophorin A" . . . . . 100.00 150 100.00 100.00 7.69e-17 . . . . 7208 1 19 no REF NP_002090 . "glycophorin-A precursor [Homo sapiens]" . . . . . 100.00 150 100.00 100.00 7.53e-17 . . . . 7208 1 20 no SP P02724 . "RecName: Full=Glycophorin-A; AltName: Full=MN sialoglycoprotein; AltName: Full=PAS-2; AltName: Full=Sialoglycoprotein alpha; Al" . . . . . 100.00 150 100.00 100.00 7.85e-17 . . . . 7208 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 61 ARG . 7208 1 2 62 VAL . 7208 1 3 63 GLN . 7208 1 4 64 LEU . 7208 1 5 65 ALA . 7208 1 6 66 HIS . 7208 1 7 67 HIS . 7208 1 8 68 PHE . 7208 1 9 69 SER . 7208 1 10 70 GLU . 7208 1 11 71 PRO . 7208 1 12 72 GLU . 7208 1 13 73 ILE . 7208 1 14 74 THR . 7208 1 15 75 LEU . 7208 1 16 76 ILE . 7208 1 17 77 ILE . 7208 1 18 78 PHE . 7208 1 19 79 GLY . 7208 1 20 80 VAL . 7208 1 21 81 MET . 7208 1 22 82 ALA . 7208 1 23 83 GLY . 7208 1 24 84 VAL . 7208 1 25 85 ILE . 7208 1 26 86 GLY . 7208 1 27 87 THR . 7208 1 28 88 ILE . 7208 1 29 89 LEU . 7208 1 30 90 LEU . 7208 1 31 91 ILE . 7208 1 32 92 SER . 7208 1 33 93 TYR . 7208 1 34 94 GLY . 7208 1 35 95 ILE . 7208 1 36 96 ARG . 7208 1 37 97 ARG . 7208 1 38 98 LEU . 7208 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 7208 1 . VAL 2 2 7208 1 . GLN 3 3 7208 1 . LEU 4 4 7208 1 . ALA 5 5 7208 1 . HIS 6 6 7208 1 . HIS 7 7 7208 1 . PHE 8 8 7208 1 . SER 9 9 7208 1 . GLU 10 10 7208 1 . PRO 11 11 7208 1 . GLU 12 12 7208 1 . ILE 13 13 7208 1 . THR 14 14 7208 1 . LEU 15 15 7208 1 . ILE 16 16 7208 1 . ILE 17 17 7208 1 . PHE 18 18 7208 1 . GLY 19 19 7208 1 . VAL 20 20 7208 1 . MET 21 21 7208 1 . ALA 22 22 7208 1 . GLY 23 23 7208 1 . VAL 24 24 7208 1 . ILE 25 25 7208 1 . GLY 26 26 7208 1 . THR 27 27 7208 1 . ILE 28 28 7208 1 . LEU 29 29 7208 1 . LEU 30 30 7208 1 . ILE 31 31 7208 1 . SER 32 32 7208 1 . TYR 33 33 7208 1 . GLY 34 34 7208 1 . ILE 35 35 7208 1 . ARG 36 36 7208 1 . ARG 37 37 7208 1 . LEU 38 38 7208 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7208 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GpATM . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . blood . . . erythrocyte . 'outer membrane' . . . . . . . . . . . 7208 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7208 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GpATM . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7208 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_bic_hetero _Sample.Sf_category sample _Sample.Sf_framecode bic_hetero _Sample.Entry_ID 7208 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM '[U-15N; U-13C]' . . 1 $GpATM . protein 1.0 . . mM 0.2 . . . 7208 1 2 DMPC [U-2H] . . . . . lipid 16.0 . . mM 1.0 . . . 7208 1 3 GpATM . . . 1 $GpATM . protein 1.0 . . mM 0.2 . . . 7208 1 4 DHPC [U-2H] . . . . . lipid 64.0 . . mM 1.0 . . . 7208 1 stop_ save_ save_mic_N15 _Sample.Sf_category sample _Sample.Sf_framecode mic_N15 _Sample.Entry_ID 7208 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM [U-15N] . . 1 $GpATM . protein 2.0 . . mM 0.2 . . . 7208 2 2 Dodecylphosphocholine [U-2H] . . . . . lipid 60.0 . . mM 2.0 . . . 7208 2 stop_ save_ save_mic_N1513C _Sample.Sf_category sample _Sample.Sf_framecode mic_N1513C _Sample.Entry_ID 7208 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM '[U-15N; U-13C]' . . 1 $GpATM . protein 2.0 . . mM 0.2 . . . 7208 3 2 Dodecylphosphocholine [U-2H] . . . . . lipid 60.0 . . mM 2.0 . . . 7208 3 stop_ save_ save_bic_15N13C _Sample.Sf_category sample _Sample.Sf_framecode bic_15N13C _Sample.Entry_ID 7208 _Sample.ID 4 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM '[U-15N; U-13C]' . . 1 $GpATM . protein 2.0 . . mM 0.2 . . . 7208 4 2 DMPC [U-2H] . . . . . lipid 16.0 . . mM 1.0 . . . 7208 4 3 DHPC [U-2H] . . 1 . . lipid 64.0 . . mM 1.0 . . . 7208 4 stop_ save_ save_bic_15N _Sample.Sf_category sample _Sample.Sf_framecode bic_15N _Sample.Entry_ID 7208 _Sample.ID 5 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM [U-15N] . . 1 $GpATM . protein 2.0 . . mM 0.2 . . . 7208 5 2 DMPC [U-2H] . . . . . lipid 16.0 . . mM 1.0 . . . 7208 5 3 DHPC [U-2H] . . 1 . . lipid 64.0 . . mM 1.0 . . . 7208 5 stop_ save_ save_mic_hetero _Sample.Sf_category sample _Sample.Sf_framecode mic_hetero _Sample.Entry_ID 7208 _Sample.ID 6 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GpATM '[U-15N; U-13C]' . . 1 $GpATM . protein 1.0 . . mM 0.2 . . . 7208 6 2 Dodecylphosphocholine [2H] . . . . . lipid 60.0 . . mM 2.0 . . . 7208 6 3 GpATM . . . 1 $GpATM . protein 1.0 . . mM 0.2 . . . 7208 6 stop_ save_ ####################### # Sample conditions # ####################### save_micelles _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode micelles _Sample_condition_list.Entry_ID 7208 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 7208 1 temperature 313 1 K 7208 1 stop_ save_ save_bicelles _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode bicelles _Sample_condition_list.Entry_ID 7208 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.4 0.1 pH 7208 2 temperature 313 1 K 7208 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7208 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian600 _NMR_spectrometer.Entry_ID 7208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Unity Varian 600 Mhz' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7208 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7208 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7208 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7208 1 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_shifts_mic _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_mic _Assigned_chem_shift_list.Entry_ID 7208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $micelles _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 4 $mic_N1513C isotropic 7208 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7208 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.142 0.020 . 1 . . . . 61 ARG HA . 7208 1 2 . 1 1 1 1 ARG HB2 H 1 1.940 0.020 . 1 . . . . 61 ARG HB2 . 7208 1 3 . 1 1 1 1 ARG HB3 H 1 1.940 0.020 . 1 . . . . 61 ARG HB3 . 7208 1 4 . 1 1 1 1 ARG HG2 H 1 1.676 0.020 . 1 . . . . 61 ARG HG2 . 7208 1 5 . 1 1 1 1 ARG HG3 H 1 1.676 0.020 . 1 . . . . 61 ARG HG3 . 7208 1 6 . 1 1 1 1 ARG HD2 H 1 3.238 0.020 . 1 . . . . 61 ARG HD2 . 7208 1 7 . 1 1 1 1 ARG HD3 H 1 3.238 0.020 . 1 . . . . 61 ARG HD3 . 7208 1 8 . 1 1 1 1 ARG CA C 13 55.651 0.400 . 1 . . . . 61 ARG CA . 7208 1 9 . 1 1 1 1 ARG CB C 13 31.391 0.400 . 1 . . . . 61 ARG CB . 7208 1 10 . 1 1 1 1 ARG CG C 13 26.506 0.400 . 1 . . . . 61 ARG CG . 7208 1 11 . 1 1 1 1 ARG CD C 13 43.475 0.400 . 1 . . . . 61 ARG CD . 7208 1 12 . 1 1 2 2 VAL HA H 1 4.118 0.020 . 1 . . . . 62 VAL HA . 7208 1 13 . 1 1 2 2 VAL HB H 1 2.094 0.020 . 1 . . . . 62 VAL HB . 7208 1 14 . 1 1 2 2 VAL HG11 H 1 0.923 0.020 . 2 . . . . 62 VAL HG1 . 7208 1 15 . 1 1 2 2 VAL HG12 H 1 0.923 0.020 . 2 . . . . 62 VAL HG1 . 7208 1 16 . 1 1 2 2 VAL HG13 H 1 0.923 0.020 . 2 . . . . 62 VAL HG1 . 7208 1 17 . 1 1 2 2 VAL HG21 H 1 0.923 0.020 . 2 . . . . 62 VAL HG2 . 7208 1 18 . 1 1 2 2 VAL HG22 H 1 0.923 0.020 . 2 . . . . 62 VAL HG2 . 7208 1 19 . 1 1 2 2 VAL HG23 H 1 0.923 0.020 . 2 . . . . 62 VAL HG2 . 7208 1 20 . 1 1 2 2 VAL CA C 13 62.856 0.400 . 1 . . . . 62 VAL CA . 7208 1 21 . 1 1 2 2 VAL CB C 13 32.771 0.400 . 1 . . . . 62 VAL CB . 7208 1 22 . 1 1 2 2 VAL CG1 C 13 21.319 0.400 . 1 . . . . 62 VAL CG1 . 7208 1 23 . 1 1 3 3 GLN H H 1 8.514 0.020 . 1 . . . . 63 GLN H . 7208 1 24 . 1 1 3 3 GLN HA H 1 4.431 0.020 . 1 . . . . 63 GLN HA . 7208 1 25 . 1 1 3 3 GLN HB2 H 1 1.997 0.020 . 1 . . . . 63 GLN HB2 . 7208 1 26 . 1 1 3 3 GLN HB3 H 1 1.997 0.020 . 1 . . . . 63 GLN HB3 . 7208 1 27 . 1 1 3 3 GLN HG2 H 1 2.055 0.020 . 2 . . . . 63 GLN HG2 . 7208 1 28 . 1 1 3 3 GLN HG3 H 1 1.904 0.020 . 2 . . . . 63 GLN HG3 . 7208 1 29 . 1 1 3 3 GLN CA C 13 55.722 0.400 . 1 . . . . 63 GLN CA . 7208 1 30 . 1 1 3 3 GLN CB C 13 30.021 0.400 . 1 . . . . 63 GLN CB . 7208 1 31 . 1 1 3 3 GLN N N 15 121.254 0.400 . 1 . . . . 63 GLN N . 7208 1 32 . 1 1 4 4 LEU H H 1 8.420 0.020 . 1 . . . . 64 LEU H . 7208 1 33 . 1 1 4 4 LEU HA H 1 4.319 0.020 . 1 . . . . 64 LEU HA . 7208 1 34 . 1 1 4 4 LEU HB2 H 1 1.623 0.020 . 1 . . . . 64 LEU HB2 . 7208 1 35 . 1 1 4 4 LEU HB3 H 1 1.623 0.020 . 1 . . . . 64 LEU HB3 . 7208 1 36 . 1 1 4 4 LEU HG H 1 1.532 0.020 . 1 . . . . 64 LEU HG . 7208 1 37 . 1 1 4 4 LEU HD11 H 1 0.918 0.020 . 2 . . . . 64 LEU HD1 . 7208 1 38 . 1 1 4 4 LEU HD12 H 1 0.918 0.020 . 2 . . . . 64 LEU HD1 . 7208 1 39 . 1 1 4 4 LEU HD13 H 1 0.918 0.020 . 2 . . . . 64 LEU HD1 . 7208 1 40 . 1 1 4 4 LEU HD21 H 1 0.918 0.020 . 2 . . . . 64 LEU HD2 . 7208 1 41 . 1 1 4 4 LEU HD22 H 1 0.918 0.020 . 2 . . . . 64 LEU HD2 . 7208 1 42 . 1 1 4 4 LEU HD23 H 1 0.918 0.020 . 2 . . . . 64 LEU HD2 . 7208 1 43 . 1 1 4 4 LEU CA C 13 55.690 0.400 . 1 . . . . 64 LEU CA . 7208 1 44 . 1 1 4 4 LEU CB C 13 43.240 0.400 . 1 . . . . 64 LEU CB . 7208 1 45 . 1 1 4 4 LEU CD1 C 13 24.481 0.400 . 1 . . . . 64 LEU CD1 . 7208 1 46 . 1 1 4 4 LEU N N 15 119.985 0.400 . 1 . . . . 64 LEU N . 7208 1 47 . 1 1 5 5 ALA H H 1 8.377 0.020 . 1 . . . . 65 ALA H . 7208 1 48 . 1 1 5 5 ALA HA H 1 4.192 0.020 . 1 . . . . 65 ALA HA . 7208 1 49 . 1 1 5 5 ALA HB1 H 1 1.313 0.020 . 1 . . . . 65 ALA HB . 7208 1 50 . 1 1 5 5 ALA HB2 H 1 1.313 0.020 . 1 . . . . 65 ALA HB . 7208 1 51 . 1 1 5 5 ALA HB3 H 1 1.313 0.020 . 1 . . . . 65 ALA HB . 7208 1 52 . 1 1 5 5 ALA CA C 13 53.043 0.400 . 1 . . . . 65 ALA CA . 7208 1 53 . 1 1 5 5 ALA CB C 13 19.179 0.400 . 1 . . . . 65 ALA CB . 7208 1 54 . 1 1 5 5 ALA N N 15 119.387 0.400 . 1 . . . . 65 ALA N . 7208 1 55 . 1 1 6 6 HIS H H 1 7.830 0.020 . 1 . . . . 66 HIS H . 7208 1 56 . 1 1 6 6 HIS HA H 1 4.398 0.020 . 1 . . . . 66 HIS HA . 7208 1 57 . 1 1 6 6 HIS HB2 H 1 2.918 0.020 . 2 . . . . 66 HIS HB2 . 7208 1 58 . 1 1 6 6 HIS HB3 H 1 2.812 0.020 . 2 . . . . 66 HIS HB3 . 7208 1 59 . 1 1 6 6 HIS HD2 H 1 6.988 0.020 . 1 . . . . 66 HIS HD2 . 7208 1 60 . 1 1 6 6 HIS CA C 13 56.260 0.400 . 1 . . . . 66 HIS CA . 7208 1 61 . 1 1 6 6 HIS CB C 13 30.005 0.400 . 1 . . . . 66 HIS CB . 7208 1 62 . 1 1 6 6 HIS N N 15 112.448 0.400 . 1 . . . . 66 HIS N . 7208 1 63 . 1 1 7 7 HIS H H 1 8.007 0.020 . 1 . . . . 67 HIS H . 7208 1 64 . 1 1 7 7 HIS HA H 1 4.539 0.020 . 1 . . . . 67 HIS HA . 7208 1 65 . 1 1 7 7 HIS HB2 H 1 3.012 0.020 . 2 . . . . 67 HIS HB2 . 7208 1 66 . 1 1 7 7 HIS HB3 H 1 2.845 0.020 . 2 . . . . 67 HIS HB3 . 7208 1 67 . 1 1 7 7 HIS HD1 H 1 7.059 0.020 . 1 . . . . 67 HIS HD1 . 7208 1 68 . 1 1 7 7 HIS CA C 13 55.659 0.400 . 1 . . . . 67 HIS CA . 7208 1 69 . 1 1 7 7 HIS CB C 13 29.825 0.400 . 1 . . . . 67 HIS CB . 7208 1 70 . 1 1 7 7 HIS N N 15 116.260 0.400 . 1 . . . . 67 HIS N . 7208 1 71 . 1 1 8 8 PHE H H 1 8.396 0.020 . 1 . . . . 68 PHE H . 7208 1 72 . 1 1 8 8 PHE HA H 1 4.685 0.020 . 1 . . . . 68 PHE HA . 7208 1 73 . 1 1 8 8 PHE HB2 H 1 2.853 0.020 . 2 . . . . 68 PHE HB2 . 7208 1 74 . 1 1 8 8 PHE HB3 H 1 3.126 0.020 . 2 . . . . 68 PHE HB3 . 7208 1 75 . 1 1 8 8 PHE HD1 H 1 7.337 0.020 . 1 . . . . 68 PHE HD1 . 7208 1 76 . 1 1 8 8 PHE HD2 H 1 7.337 0.020 . 1 . . . . 68 PHE HD2 . 7208 1 77 . 1 1 8 8 PHE HE1 H 1 7.201 0.020 . 1 . . . . 68 PHE HE1 . 7208 1 78 . 1 1 8 8 PHE HE2 H 1 7.201 0.020 . 1 . . . . 68 PHE HE2 . 7208 1 79 . 1 1 8 8 PHE HZ H 1 7.041 0.020 . 1 . . . . 68 PHE HZ . 7208 1 80 . 1 1 8 8 PHE CA C 13 58.338 0.400 . 1 . . . . 68 PHE CA . 7208 1 81 . 1 1 8 8 PHE CB C 13 40.673 0.400 . 1 . . . . 68 PHE CB . 7208 1 82 . 1 1 8 8 PHE N N 15 117.618 0.400 . 1 . . . . 68 PHE N . 7208 1 83 . 1 1 9 9 SER H H 1 8.721 0.020 . 1 . . . . 69 SER H . 7208 1 84 . 1 1 9 9 SER HA H 1 4.671 0.020 . 1 . . . . 69 SER HA . 7208 1 85 . 1 1 9 9 SER HB2 H 1 4.178 0.020 . 1 . . . . 69 SER HB2 . 7208 1 86 . 1 1 9 9 SER HB3 H 1 4.001 0.020 . 1 . . . . 69 SER HB3 . 7208 1 87 . 1 1 9 9 SER CA C 13 57.317 0.400 . 1 . . . . 69 SER CA . 7208 1 88 . 1 1 9 9 SER CB C 13 65.553 0.400 . 1 . . . . 69 SER CB . 7208 1 89 . 1 1 9 9 SER N N 15 113.918 0.400 . 1 . . . . 69 SER N . 7208 1 90 . 1 1 11 11 PRO HA H 1 4.305 0.020 . 1 . . . . 71 PRO HA . 7208 1 91 . 1 1 11 11 PRO HB2 H 1 2.380 0.020 . 1 . . . . 71 PRO HB2 . 7208 1 92 . 1 1 11 11 PRO HB3 H 1 1.866 0.020 . 1 . . . . 71 PRO HB3 . 7208 1 93 . 1 1 11 11 PRO HG2 H 1 2.031 0.020 . 1 . . . . 71 PRO HG2 . 7208 1 94 . 1 1 11 11 PRO HG3 H 1 2.187 0.020 . 1 . . . . 71 PRO HG3 . 7208 1 95 . 1 1 11 11 PRO HD2 H 1 3.983 0.020 . 1 . . . . 71 PRO HD2 . 7208 1 96 . 1 1 11 11 PRO HD3 H 1 3.851 0.020 . 1 . . . . 71 PRO HD3 . 7208 1 97 . 1 1 11 11 PRO CA C 13 66.738 0.400 . 1 . . . . 71 PRO CA . 7208 1 98 . 1 1 11 11 PRO CB C 13 31.573 0.400 . 1 . . . . 71 PRO CB . 7208 1 99 . 1 1 11 11 PRO CG C 13 28.467 0.400 . 1 . . . . 71 PRO CG . 7208 1 100 . 1 1 11 11 PRO CD C 13 50.527 0.400 . 1 . . . . 71 PRO CD . 7208 1 101 . 1 1 12 12 GLU HA H 1 3.912 0.020 . 1 . . . . 72 GLU HA . 7208 1 102 . 1 1 12 12 GLU HB2 H 1 2.334 0.020 . 2 . . . . 72 GLU HB2 . 7208 1 103 . 1 1 12 12 GLU HB3 H 1 2.395 0.020 . 2 . . . . 72 GLU HB3 . 7208 1 104 . 1 1 12 12 GLU HG2 H 1 1.989 0.020 . 1 . . . . 72 GLU HG2 . 7208 1 105 . 1 1 12 12 GLU HG3 H 1 1.989 0.020 . 1 . . . . 72 GLU HG3 . 7208 1 106 . 1 1 12 12 GLU CA C 13 60.190 0.400 . 1 . . . . 72 GLU CA . 7208 1 107 . 1 1 12 12 GLU CB C 13 37.319 0.400 . 1 . . . . 72 GLU CB . 7208 1 108 . 1 1 13 13 ILE H H 1 8.122 0.020 . 1 . . . . 73 ILE H . 7208 1 109 . 1 1 13 13 ILE HA H 1 3.560 0.020 . 1 . . . . 73 ILE HA . 7208 1 110 . 1 1 13 13 ILE HB H 1 1.943 0.020 . 1 . . . . 73 ILE HB . 7208 1 111 . 1 1 13 13 ILE HG12 H 1 1.663 0.020 . 2 . . . . 73 ILE HG12 . 7208 1 112 . 1 1 13 13 ILE HG13 H 1 1.063 0.020 . 2 . . . . 73 ILE HG13 . 7208 1 113 . 1 1 13 13 ILE HG21 H 1 0.887 0.020 . 1 . . . . 73 ILE HG2 . 7208 1 114 . 1 1 13 13 ILE HG22 H 1 0.887 0.020 . 1 . . . . 73 ILE HG2 . 7208 1 115 . 1 1 13 13 ILE HG23 H 1 0.887 0.020 . 1 . . . . 73 ILE HG2 . 7208 1 116 . 1 1 13 13 ILE HD11 H 1 0.762 0.020 . 1 . . . . 73 ILE HD1 . 7208 1 117 . 1 1 13 13 ILE HD12 H 1 0.762 0.020 . 1 . . . . 73 ILE HD1 . 7208 1 118 . 1 1 13 13 ILE HD13 H 1 0.762 0.020 . 1 . . . . 73 ILE HD1 . 7208 1 119 . 1 1 13 13 ILE CA C 13 64.686 0.400 . 1 . . . . 73 ILE CA . 7208 1 120 . 1 1 13 13 ILE CB C 13 37.997 0.400 . 1 . . . . 73 ILE CB . 7208 1 121 . 1 1 13 13 ILE CG1 C 13 29.339 0.400 . 1 . . . . 73 ILE CG1 . 7208 1 122 . 1 1 13 13 ILE CG2 C 13 17.891 0.400 . 1 . . . . 73 ILE CG2 . 7208 1 123 . 1 1 13 13 ILE CD1 C 13 13.814 0.400 . 1 . . . . 73 ILE CD1 . 7208 1 124 . 1 1 13 13 ILE N N 15 113.893 0.400 . 1 . . . . 73 ILE N . 7208 1 125 . 1 1 14 14 THR H H 1 8.022 0.020 . 1 . . . . 74 THR H . 7208 1 126 . 1 1 14 14 THR HA H 1 3.623 0.020 . 1 . . . . 74 THR HA . 7208 1 127 . 1 1 14 14 THR HB H 1 4.237 0.020 . 1 . . . . 74 THR HB . 7208 1 128 . 1 1 14 14 THR HG1 H 1 4.591 0.020 . 1 . . . . 74 THR HG1 . 7208 1 129 . 1 1 14 14 THR HG21 H 1 1.098 0.020 . 1 . . . . 74 THR HG2 . 7208 1 130 . 1 1 14 14 THR HG22 H 1 1.098 0.020 . 1 . . . . 74 THR HG2 . 7208 1 131 . 1 1 14 14 THR HG23 H 1 1.098 0.020 . 1 . . . . 74 THR HG2 . 7208 1 132 . 1 1 14 14 THR CA C 13 68.129 0.400 . 1 . . . . 74 THR CA . 7208 1 133 . 1 1 14 14 THR CB C 13 68.447 0.400 . 1 . . . . 74 THR CB . 7208 1 134 . 1 1 14 14 THR CG2 C 13 21.916 0.400 . 1 . . . . 74 THR CG2 . 7208 1 135 . 1 1 14 14 THR N N 15 111.801 0.400 . 1 . . . . 74 THR N . 7208 1 136 . 1 1 15 15 LEU H H 1 7.402 0.020 . 1 . . . . 75 LEU H . 7208 1 137 . 1 1 15 15 LEU HA H 1 3.970 0.020 . 1 . . . . 75 LEU HA . 7208 1 138 . 1 1 15 15 LEU HB2 H 1 2.097 0.020 . 1 . . . . 75 LEU HB2 . 7208 1 139 . 1 1 15 15 LEU HB3 H 1 1.930 0.020 . 1 . . . . 75 LEU HB3 . 7208 1 140 . 1 1 15 15 LEU HG H 1 1.404 0.020 . 1 . . . . 75 LEU HG . 7208 1 141 . 1 1 15 15 LEU HD11 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 1 142 . 1 1 15 15 LEU HD12 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 1 143 . 1 1 15 15 LEU HD13 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 1 144 . 1 1 15 15 LEU HD21 H 1 0.817 0.020 . 1 . . . . 75 LEU HD2 . 7208 1 145 . 1 1 15 15 LEU HD22 H 1 0.817 0.020 . 1 . . . . 75 LEU HD2 . 7208 1 146 . 1 1 15 15 LEU HD23 H 1 0.817 0.020 . 1 . . . . 75 LEU HD2 . 7208 1 147 . 1 1 15 15 LEU CA C 13 59.008 0.400 . 1 . . . . 75 LEU CA . 7208 1 148 . 1 1 15 15 LEU CB C 13 42.197 0.400 . 1 . . . . 75 LEU CB . 7208 1 149 . 1 1 15 15 LEU CG C 13 41.997 0.400 . 1 . . . . 75 LEU CG . 7208 1 150 . 1 1 15 15 LEU CD1 C 13 26.493 0.400 . 1 . . . . 75 LEU CD1 . 7208 1 151 . 1 1 15 15 LEU CD2 C 13 23.457 0.400 . 1 . . . . 75 LEU CD2 . 7208 1 152 . 1 1 15 15 LEU N N 15 115.824 0.400 . 1 . . . . 75 LEU N . 7208 1 153 . 1 1 16 16 ILE H H 1 7.612 0.020 . 1 . . . . 76 ILE H . 7208 1 154 . 1 1 16 16 ILE HA H 1 3.693 0.020 . 1 . . . . 76 ILE HA . 7208 1 155 . 1 1 16 16 ILE HB H 1 1.940 0.020 . 1 . . . . 76 ILE HB . 7208 1 156 . 1 1 16 16 ILE HG12 H 1 1.039 0.020 . 1 . . . . 76 ILE HG12 . 7208 1 157 . 1 1 16 16 ILE HG13 H 1 1.039 0.020 . 1 . . . . 76 ILE HG13 . 7208 1 158 . 1 1 16 16 ILE HG21 H 1 0.797 0.020 . 1 . . . . 76 ILE HG2 . 7208 1 159 . 1 1 16 16 ILE HG22 H 1 0.797 0.020 . 1 . . . . 76 ILE HG2 . 7208 1 160 . 1 1 16 16 ILE HG23 H 1 0.797 0.020 . 1 . . . . 76 ILE HG2 . 7208 1 161 . 1 1 16 16 ILE HD11 H 1 0.563 0.020 . 1 . . . . 76 ILE HD1 . 7208 1 162 . 1 1 16 16 ILE HD12 H 1 0.563 0.020 . 1 . . . . 76 ILE HD1 . 7208 1 163 . 1 1 16 16 ILE HD13 H 1 0.563 0.020 . 1 . . . . 76 ILE HD1 . 7208 1 164 . 1 1 16 16 ILE CA C 13 66.122 0.400 . 1 . . . . 76 ILE CA . 7208 1 165 . 1 1 16 16 ILE CB C 13 38.432 0.400 . 1 . . . . 76 ILE CB . 7208 1 166 . 1 1 16 16 ILE CG1 C 13 29.442 0.400 . 1 . . . . 76 ILE CG1 . 7208 1 167 . 1 1 16 16 ILE CG2 C 13 17.221 0.400 . 1 . . . . 76 ILE CG2 . 7208 1 168 . 1 1 16 16 ILE CD1 C 13 13.521 0.400 . 1 . . . . 76 ILE CD1 . 7208 1 169 . 1 1 16 16 ILE N N 15 113.769 0.400 . 1 . . . . 76 ILE N . 7208 1 170 . 1 1 17 17 ILE H H 1 8.387 0.020 . 1 . . . . 77 ILE H . 7208 1 171 . 1 1 17 17 ILE HA H 1 3.516 0.020 . 1 . . . . 77 ILE HA . 7208 1 172 . 1 1 17 17 ILE HB H 1 1.962 0.020 . 1 . . . . 77 ILE HB . 7208 1 173 . 1 1 17 17 ILE HG12 H 1 1.735 0.020 . 1 . . . . 77 ILE HG12 . 7208 1 174 . 1 1 17 17 ILE HG13 H 1 1.080 0.020 . 1 . . . . 77 ILE HG13 . 7208 1 175 . 1 1 17 17 ILE HG21 H 1 0.866 0.020 . 1 . . . . 77 ILE HG2 . 7208 1 176 . 1 1 17 17 ILE HG22 H 1 0.866 0.020 . 1 . . . . 77 ILE HG2 . 7208 1 177 . 1 1 17 17 ILE HG23 H 1 0.866 0.020 . 1 . . . . 77 ILE HG2 . 7208 1 178 . 1 1 17 17 ILE HD11 H 1 0.778 0.020 . 1 . . . . 77 ILE HD1 . 7208 1 179 . 1 1 17 17 ILE HD12 H 1 0.778 0.020 . 1 . . . . 77 ILE HD1 . 7208 1 180 . 1 1 17 17 ILE HD13 H 1 0.778 0.020 . 1 . . . . 77 ILE HD1 . 7208 1 181 . 1 1 17 17 ILE CA C 13 65.867 0.400 . 1 . . . . 77 ILE CA . 7208 1 182 . 1 1 17 17 ILE CB C 13 36.996 0.400 . 1 . . . . 77 ILE CB . 7208 1 183 . 1 1 17 17 ILE CG1 C 13 29.441 0.400 . 1 . . . . 77 ILE CG1 . 7208 1 184 . 1 1 17 17 ILE CG2 C 13 17.395 0.400 . 1 . . . . 77 ILE CG2 . 7208 1 185 . 1 1 17 17 ILE CD1 C 13 12.729 0.400 . 1 . . . . 77 ILE CD1 . 7208 1 186 . 1 1 17 17 ILE N N 15 115.027 0.400 . 1 . . . . 77 ILE N . 7208 1 187 . 1 1 18 18 PHE H H 1 8.447 0.020 . 1 . . . . 78 PHE H . 7208 1 188 . 1 1 18 18 PHE HA H 1 4.235 0.020 . 1 . . . . 78 PHE HA . 7208 1 189 . 1 1 18 18 PHE HB2 H 1 3.168 0.020 . 1 . . . . 78 PHE HB2 . 7208 1 190 . 1 1 18 18 PHE HB3 H 1 3.168 0.020 . 1 . . . . 78 PHE HB3 . 7208 1 191 . 1 1 18 18 PHE HD1 H 1 7.148 0.020 . 1 . . . . 78 PHE HD1 . 7208 1 192 . 1 1 18 18 PHE HD2 H 1 7.148 0.020 . 1 . . . . 78 PHE HD2 . 7208 1 193 . 1 1 18 18 PHE HE1 H 1 7.093 0.020 . 1 . . . . 78 PHE HE1 . 7208 1 194 . 1 1 18 18 PHE HE2 H 1 7.093 0.020 . 1 . . . . 78 PHE HE2 . 7208 1 195 . 1 1 18 18 PHE HZ H 1 7.248 0.020 . 1 . . . . 78 PHE HZ . 7208 1 196 . 1 1 18 18 PHE CA C 13 61.656 0.400 . 1 . . . . 78 PHE CA . 7208 1 197 . 1 1 18 18 PHE CB C 13 38.807 0.400 . 1 . . . . 78 PHE CB . 7208 1 198 . 1 1 18 18 PHE N N 15 116.135 0.400 . 1 . . . . 78 PHE N . 7208 1 199 . 1 1 19 19 GLY H H 1 8.237 0.020 . 1 . . . . 79 GLY H . 7208 1 200 . 1 1 19 19 GLY HA2 H 1 3.543 0.020 . 2 . . . . 79 GLY HA2 . 7208 1 201 . 1 1 19 19 GLY HA3 H 1 4.168 0.020 . 2 . . . . 79 GLY HA3 . 7208 1 202 . 1 1 19 19 GLY CA C 13 48.210 0.400 . 1 . . . . 79 GLY CA . 7208 1 203 . 1 1 19 19 GLY N N 15 101.917 0.400 . 1 . . . . 79 GLY N . 7208 1 204 . 1 1 20 20 VAL H H 1 8.764 0.020 . 1 . . . . 80 VAL H . 7208 1 205 . 1 1 20 20 VAL HA H 1 3.547 0.020 . 1 . . . . 80 VAL HA . 7208 1 206 . 1 1 20 20 VAL HB H 1 2.215 0.020 . 1 . . . . 80 VAL HB . 7208 1 207 . 1 1 20 20 VAL HG11 H 1 0.735 0.020 . 1 . . . . 80 VAL HG1 . 7208 1 208 . 1 1 20 20 VAL HG12 H 1 0.735 0.020 . 1 . . . . 80 VAL HG1 . 7208 1 209 . 1 1 20 20 VAL HG13 H 1 0.735 0.020 . 1 . . . . 80 VAL HG1 . 7208 1 210 . 1 1 20 20 VAL HG21 H 1 1.005 0.020 . 1 . . . . 80 VAL HG2 . 7208 1 211 . 1 1 20 20 VAL HG22 H 1 1.005 0.020 . 1 . . . . 80 VAL HG2 . 7208 1 212 . 1 1 20 20 VAL HG23 H 1 1.005 0.020 . 1 . . . . 80 VAL HG2 . 7208 1 213 . 1 1 20 20 VAL CA C 13 66.760 0.400 . 1 . . . . 80 VAL CA . 7208 1 214 . 1 1 20 20 VAL CB C 13 31.523 0.400 . 1 . . . . 80 VAL CB . 7208 1 215 . 1 1 20 20 VAL CG1 C 13 23.173 0.400 . 1 . . . . 80 VAL CG1 . 7208 1 216 . 1 1 20 20 VAL CG2 C 13 21.825 0.400 . 1 . . . . 80 VAL CG2 . 7208 1 217 . 1 1 20 20 VAL N N 15 118.963 0.400 . 1 . . . . 80 VAL N . 7208 1 218 . 1 1 21 21 MET H H 1 8.265 0.020 . 1 . . . . 81 MET H . 7208 1 219 . 1 1 21 21 MET HA H 1 3.882 0.020 . 1 . . . . 81 MET HA . 7208 1 220 . 1 1 21 21 MET HB2 H 1 2.212 0.020 . 2 . . . . 81 MET HB2 . 7208 1 221 . 1 1 21 21 MET HB3 H 1 1.890 0.020 . 2 . . . . 81 MET HB3 . 7208 1 222 . 1 1 21 21 MET HG2 H 1 2.419 0.020 . 2 . . . . 81 MET HG2 . 7208 1 223 . 1 1 21 21 MET HG3 H 1 2.621 0.020 . 2 . . . . 81 MET HG3 . 7208 1 224 . 1 1 21 21 MET CA C 13 59.151 0.400 . 1 . . . . 81 MET CA . 7208 1 225 . 1 1 21 21 MET CB C 13 32.469 0.400 . 1 . . . . 81 MET CB . 7208 1 226 . 1 1 21 21 MET CG C 13 32.851 0.400 . 1 . . . . 81 MET CG . 7208 1 227 . 1 1 21 21 MET N N 15 112.810 0.400 . 1 . . . . 81 MET N . 7208 1 228 . 1 1 22 22 ALA H H 1 8.216 0.020 . 1 . . . . 82 ALA H . 7208 1 229 . 1 1 22 22 ALA HA H 1 3.840 0.020 . 1 . . . . 82 ALA HA . 7208 1 230 . 1 1 22 22 ALA HB1 H 1 1.219 0.020 . 1 . . . . 82 ALA HB . 7208 1 231 . 1 1 22 22 ALA HB2 H 1 1.219 0.020 . 1 . . . . 82 ALA HB . 7208 1 232 . 1 1 22 22 ALA HB3 H 1 1.219 0.020 . 1 . . . . 82 ALA HB . 7208 1 233 . 1 1 22 22 ALA CA C 13 55.722 0.400 . 1 . . . . 82 ALA CA . 7208 1 234 . 1 1 22 22 ALA CB C 13 17.578 0.400 . 1 . . . . 82 ALA CB . 7208 1 235 . 1 1 22 22 ALA N N 15 116.833 0.400 . 1 . . . . 82 ALA N . 7208 1 236 . 1 1 23 23 GLY H H 1 8.862 0.020 . 1 . . . . 83 GLY H . 7208 1 237 . 1 1 23 23 GLY HA2 H 1 4.013 0.020 . 2 . . . . 83 GLY HA2 . 7208 1 238 . 1 1 23 23 GLY HA3 H 1 3.688 0.020 . 2 . . . . 83 GLY HA3 . 7208 1 239 . 1 1 23 23 GLY CA C 13 48.065 0.400 . 1 . . . . 83 GLY CA . 7208 1 240 . 1 1 23 23 GLY N N 15 101.653 0.400 . 1 . . . . 83 GLY N . 7208 1 241 . 1 1 24 24 VAL H H 1 8.622 0.020 . 1 . . . . 84 VAL H . 7208 1 242 . 1 1 24 24 VAL HA H 1 3.869 0.020 . 1 . . . . 84 VAL HA . 7208 1 243 . 1 1 24 24 VAL HB H 1 2.088 0.020 . 1 . . . . 84 VAL HB . 7208 1 244 . 1 1 24 24 VAL HG11 H 1 0.797 0.020 . 1 . . . . 84 VAL HG1 . 7208 1 245 . 1 1 24 24 VAL HG12 H 1 0.797 0.020 . 1 . . . . 84 VAL HG1 . 7208 1 246 . 1 1 24 24 VAL HG13 H 1 0.797 0.020 . 1 . . . . 84 VAL HG1 . 7208 1 247 . 1 1 24 24 VAL HG21 H 1 0.962 0.020 . 1 . . . . 84 VAL HG2 . 7208 1 248 . 1 1 24 24 VAL HG22 H 1 0.962 0.020 . 1 . . . . 84 VAL HG2 . 7208 1 249 . 1 1 24 24 VAL HG23 H 1 0.962 0.020 . 1 . . . . 84 VAL HG2 . 7208 1 250 . 1 1 24 24 VAL CA C 13 66.345 0.400 . 1 . . . . 84 VAL CA . 7208 1 251 . 1 1 24 24 VAL CB C 13 31.652 0.400 . 1 . . . . 84 VAL CB . 7208 1 252 . 1 1 24 24 VAL CG1 C 13 20.663 0.400 . 1 . . . . 84 VAL CG1 . 7208 1 253 . 1 1 24 24 VAL CG2 C 13 21.247 0.400 . 1 . . . . 84 VAL CG2 . 7208 1 254 . 1 1 24 24 VAL N N 15 121.349 0.400 . 1 . . . . 84 VAL N . 7208 1 255 . 1 1 25 25 ILE H H 1 8.250 0.020 . 1 . . . . 85 ILE H . 7208 1 256 . 1 1 25 25 ILE HA H 1 3.464 0.020 . 1 . . . . 85 ILE HA . 7208 1 257 . 1 1 25 25 ILE HB H 1 1.785 0.020 . 1 . . . . 85 ILE HB . 7208 1 258 . 1 1 25 25 ILE HG12 H 1 1.008 0.020 . 1 . . . . 85 ILE HG12 . 7208 1 259 . 1 1 25 25 ILE HG13 H 1 1.008 0.020 . 1 . . . . 85 ILE HG13 . 7208 1 260 . 1 1 25 25 ILE HG21 H 1 0.791 0.020 . 1 . . . . 85 ILE HG2 . 7208 1 261 . 1 1 25 25 ILE HG22 H 1 0.791 0.020 . 1 . . . . 85 ILE HG2 . 7208 1 262 . 1 1 25 25 ILE HG23 H 1 0.791 0.020 . 1 . . . . 85 ILE HG2 . 7208 1 263 . 1 1 25 25 ILE HD11 H 1 0.633 0.020 . 1 . . . . 85 ILE HD1 . 7208 1 264 . 1 1 25 25 ILE HD12 H 1 0.633 0.020 . 1 . . . . 85 ILE HD1 . 7208 1 265 . 1 1 25 25 ILE HD13 H 1 0.633 0.020 . 1 . . . . 85 ILE HD1 . 7208 1 266 . 1 1 25 25 ILE CA C 13 65.624 0.400 . 1 . . . . 85 ILE CA . 7208 1 267 . 1 1 25 25 ILE CB C 13 37.822 0.400 . 1 . . . . 85 ILE CB . 7208 1 268 . 1 1 25 25 ILE CG1 C 13 29.319 0.400 . 1 . . . . 85 ILE CG1 . 7208 1 269 . 1 1 25 25 ILE CG2 C 13 17.136 0.400 . 1 . . . . 85 ILE CG2 . 7208 1 270 . 1 1 25 25 ILE CD1 C 13 13.117 0.400 . 1 . . . . 85 ILE CD1 . 7208 1 271 . 1 1 25 25 ILE N N 15 113.731 0.400 . 1 . . . . 85 ILE N . 7208 1 272 . 1 1 26 26 GLY H H 1 8.959 0.020 . 1 . . . . 86 GLY H . 7208 1 273 . 1 1 26 26 GLY HA2 H 1 3.593 0.020 . 1 . . . . 86 GLY HA2 . 7208 1 274 . 1 1 26 26 GLY HA3 H 1 3.593 0.020 . 1 . . . . 86 GLY HA3 . 7208 1 275 . 1 1 26 26 GLY CA C 13 47.747 0.400 . 1 . . . . 86 GLY CA . 7208 1 276 . 1 1 26 26 GLY N N 15 102.113 0.400 . 1 . . . . 86 GLY N . 7208 1 277 . 1 1 27 27 THR H H 1 7.903 0.020 . 1 . . . . 87 THR H . 7208 1 278 . 1 1 27 27 THR HA H 1 3.737 0.020 . 1 . . . . 87 THR HA . 7208 1 279 . 1 1 27 27 THR HB H 1 4.322 0.020 . 1 . . . . 87 THR HB . 7208 1 280 . 1 1 27 27 THR HG1 H 1 4.914 0.020 . 1 . . . . 87 THR HG1 . 7208 1 281 . 1 1 27 27 THR HG21 H 1 1.113 0.020 . 1 . . . . 87 THR HG2 . 7208 1 282 . 1 1 27 27 THR HG22 H 1 1.113 0.020 . 1 . . . . 87 THR HG2 . 7208 1 283 . 1 1 27 27 THR HG23 H 1 1.113 0.020 . 1 . . . . 87 THR HG2 . 7208 1 284 . 1 1 27 27 THR CA C 13 69.225 0.400 . 1 . . . . 87 THR CA . 7208 1 285 . 1 1 27 27 THR CB C 13 67.955 0.400 . 1 . . . . 87 THR CB . 7208 1 286 . 1 1 27 27 THR CG2 C 13 21.610 0.400 . 1 . . . . 87 THR CG2 . 7208 1 287 . 1 1 27 27 THR N N 15 114.653 0.400 . 1 . . . . 87 THR N . 7208 1 288 . 1 1 28 28 ILE H H 1 8.136 0.020 . 1 . . . . 88 ILE H . 7208 1 289 . 1 1 28 28 ILE HA H 1 3.570 0.020 . 1 . . . . 88 ILE HA . 7208 1 290 . 1 1 28 28 ILE HB H 1 2.014 0.020 . 1 . . . . 88 ILE HB . 7208 1 291 . 1 1 28 28 ILE HG12 H 1 1.828 0.020 . 2 . . . . 88 ILE HG12 . 7208 1 292 . 1 1 28 28 ILE HG13 H 1 1.109 0.020 . 2 . . . . 88 ILE HG13 . 7208 1 293 . 1 1 28 28 ILE HG21 H 1 0.856 0.020 . 1 . . . . 88 ILE HG2 . 7208 1 294 . 1 1 28 28 ILE HG22 H 1 0.856 0.020 . 1 . . . . 88 ILE HG2 . 7208 1 295 . 1 1 28 28 ILE HG23 H 1 0.856 0.020 . 1 . . . . 88 ILE HG2 . 7208 1 296 . 1 1 28 28 ILE HD11 H 1 0.769 0.020 . 1 . . . . 88 ILE HD1 . 7208 1 297 . 1 1 28 28 ILE HD12 H 1 0.769 0.020 . 1 . . . . 88 ILE HD1 . 7208 1 298 . 1 1 28 28 ILE HD13 H 1 0.769 0.020 . 1 . . . . 88 ILE HD1 . 7208 1 299 . 1 1 28 28 ILE CA C 13 65.931 0.400 . 1 . . . . 88 ILE CA . 7208 1 300 . 1 1 28 28 ILE CB C 13 37.330 0.400 . 1 . . . . 88 ILE CB . 7208 1 301 . 1 1 28 28 ILE CG1 C 13 29.115 0.400 . 1 . . . . 88 ILE CG1 . 7208 1 302 . 1 1 28 28 ILE CG2 C 13 17.129 0.400 . 1 . . . . 88 ILE CG2 . 7208 1 303 . 1 1 28 28 ILE CD1 C 13 12.858 0.400 . 1 . . . . 88 ILE CD1 . 7208 1 304 . 1 1 28 28 ILE N N 15 117.164 0.400 . 1 . . . . 88 ILE N . 7208 1 305 . 1 1 29 29 LEU H H 1 8.606 0.020 . 1 . . . . 89 LEU H . 7208 1 306 . 1 1 29 29 LEU HA H 1 3.973 0.020 . 1 . . . . 89 LEU HA . 7208 1 307 . 1 1 29 29 LEU HB2 H 1 2.013 0.020 . 1 . . . . 89 LEU HB2 . 7208 1 308 . 1 1 29 29 LEU HB3 H 1 1.455 0.020 . 1 . . . . 89 LEU HB3 . 7208 1 309 . 1 1 29 29 LEU HG H 1 1.861 0.020 . 1 . . . . 89 LEU HG . 7208 1 310 . 1 1 29 29 LEU HD11 H 1 0.861 0.020 . 2 . . . . 89 LEU HD1 . 7208 1 311 . 1 1 29 29 LEU HD12 H 1 0.861 0.020 . 2 . . . . 89 LEU HD1 . 7208 1 312 . 1 1 29 29 LEU HD13 H 1 0.861 0.020 . 2 . . . . 89 LEU HD1 . 7208 1 313 . 1 1 29 29 LEU CA C 13 58.785 0.400 . 1 . . . . 89 LEU CA . 7208 1 314 . 1 1 29 29 LEU CB C 13 41.917 0.400 . 1 . . . . 89 LEU CB . 7208 1 315 . 1 1 29 29 LEU CG C 13 26.751 0.400 . 1 . . . . 89 LEU CG . 7208 1 316 . 1 1 29 29 LEU CD1 C 13 23.319 0.400 . 1 . . . . 89 LEU CD1 . 7208 1 317 . 1 1 29 29 LEU N N 15 117.380 0.400 . 1 . . . . 89 LEU N . 7208 1 318 . 1 1 30 30 LEU H H 1 8.438 0.020 . 1 . . . . 90 LEU H . 7208 1 319 . 1 1 30 30 LEU HA H 1 4.052 0.020 . 1 . . . . 90 LEU HA . 7208 1 320 . 1 1 30 30 LEU HB2 H 1 1.737 0.020 . 1 . . . . 90 LEU HB2 . 7208 1 321 . 1 1 30 30 LEU HB3 H 1 1.911 0.020 . 1 . . . . 90 LEU HB3 . 7208 1 322 . 1 1 30 30 LEU HG H 1 1.829 0.020 . 1 . . . . 90 LEU HG . 7208 1 323 . 1 1 30 30 LEU HD11 H 1 0.849 0.020 . 2 . . . . 90 LEU HD1 . 7208 1 324 . 1 1 30 30 LEU HD12 H 1 0.849 0.020 . 2 . . . . 90 LEU HD1 . 7208 1 325 . 1 1 30 30 LEU HD13 H 1 0.849 0.020 . 2 . . . . 90 LEU HD1 . 7208 1 326 . 1 1 30 30 LEU HD21 H 1 0.849 0.020 . 2 . . . . 90 LEU HD2 . 7208 1 327 . 1 1 30 30 LEU HD22 H 1 0.849 0.020 . 2 . . . . 90 LEU HD2 . 7208 1 328 . 1 1 30 30 LEU HD23 H 1 0.849 0.020 . 2 . . . . 90 LEU HD2 . 7208 1 329 . 1 1 30 30 LEU CA C 13 59.072 0.400 . 1 . . . . 90 LEU CA . 7208 1 330 . 1 1 30 30 LEU CB C 13 42.201 0.400 . 1 . . . . 90 LEU CB . 7208 1 331 . 1 1 30 30 LEU CG C 13 27.262 0.400 . 1 . . . . 90 LEU CG . 7208 1 332 . 1 1 30 30 LEU CD1 C 13 23.352 0.400 . 1 . . . . 90 LEU CD1 . 7208 1 333 . 1 1 30 30 LEU N N 15 116.958 0.400 . 1 . . . . 90 LEU N . 7208 1 334 . 1 1 31 31 ILE H H 1 8.514 0.020 . 1 . . . . 91 ILE H . 7208 1 335 . 1 1 31 31 ILE HA H 1 3.637 0.020 . 1 . . . . 91 ILE HA . 7208 1 336 . 1 1 31 31 ILE HB H 1 1.928 0.020 . 1 . . . . 91 ILE HB . 7208 1 337 . 1 1 31 31 ILE HG12 H 1 1.957 0.020 . 2 . . . . 91 ILE HG12 . 7208 1 338 . 1 1 31 31 ILE HG13 H 1 0.990 0.020 . 2 . . . . 91 ILE HG13 . 7208 1 339 . 1 1 31 31 ILE HG21 H 1 0.841 0.020 . 1 . . . . 91 ILE HG2 . 7208 1 340 . 1 1 31 31 ILE HG22 H 1 0.841 0.020 . 1 . . . . 91 ILE HG2 . 7208 1 341 . 1 1 31 31 ILE HG23 H 1 0.841 0.020 . 1 . . . . 91 ILE HG2 . 7208 1 342 . 1 1 31 31 ILE HD11 H 1 0.725 0.020 . 1 . . . . 91 ILE HD1 . 7208 1 343 . 1 1 31 31 ILE HD12 H 1 0.725 0.020 . 1 . . . . 91 ILE HD1 . 7208 1 344 . 1 1 31 31 ILE HD13 H 1 0.725 0.020 . 1 . . . . 91 ILE HD1 . 7208 1 345 . 1 1 31 31 ILE CA C 13 66.218 0.400 . 1 . . . . 91 ILE CA . 7208 1 346 . 1 1 31 31 ILE CB C 13 38.018 0.400 . 1 . . . . 91 ILE CB . 7208 1 347 . 1 1 31 31 ILE CG1 C 13 29.319 0.400 . 1 . . . . 91 ILE CG1 . 7208 1 348 . 1 1 31 31 ILE CG2 C 13 17.524 0.400 . 1 . . . . 91 ILE CG2 . 7208 1 349 . 1 1 31 31 ILE CD1 C 13 12.845 0.400 . 1 . . . . 91 ILE CD1 . 7208 1 350 . 1 1 31 31 ILE N N 15 114.691 0.400 . 1 . . . . 91 ILE N . 7208 1 351 . 1 1 32 32 SER H H 1 8.368 0.020 . 1 . . . . 92 SER H . 7208 1 352 . 1 1 32 32 SER HA H 1 3.994 0.020 . 1 . . . . 92 SER HA . 7208 1 353 . 1 1 32 32 SER HB2 H 1 3.811 0.020 . 1 . . . . 92 SER HB2 . 7208 1 354 . 1 1 32 32 SER HB3 H 1 3.811 0.020 . 1 . . . . 92 SER HB3 . 7208 1 355 . 1 1 32 32 SER HG H 1 4.625 0.020 . 1 . . . . 92 SER HG . 7208 1 356 . 1 1 32 32 SER CA C 13 63.217 0.400 . 1 . . . . 92 SER CA . 7208 1 357 . 1 1 32 32 SER CB C 13 63.328 0.400 . 1 . . . . 92 SER CB . 7208 1 358 . 1 1 32 32 SER N N 15 111.489 0.400 . 1 . . . . 92 SER N . 7208 1 359 . 1 1 33 33 TYR H H 1 8.244 0.020 . 1 . . . . 93 TYR H . 7208 1 360 . 1 1 33 33 TYR HA H 1 4.164 0.020 . 1 . . . . 93 TYR HA . 7208 1 361 . 1 1 33 33 TYR HB2 H 1 3.184 0.020 . 2 . . . . 93 TYR HB2 . 7208 1 362 . 1 1 33 33 TYR HB3 H 1 3.074 0.020 . 2 . . . . 93 TYR HB3 . 7208 1 363 . 1 1 33 33 TYR HD1 H 1 7.046 0.020 . 1 . . . . 93 TYR HD1 . 7208 1 364 . 1 1 33 33 TYR HD2 H 1 7.046 0.020 . 1 . . . . 93 TYR HD2 . 7208 1 365 . 1 1 33 33 TYR HE1 H 1 6.751 0.020 . 1 . . . . 93 TYR HE1 . 7208 1 366 . 1 1 33 33 TYR HE2 H 1 6.751 0.020 . 1 . . . . 93 TYR HE2 . 7208 1 367 . 1 1 33 33 TYR CA C 13 61.624 0.400 . 1 . . . . 93 TYR CA . 7208 1 368 . 1 1 33 33 TYR CB C 13 39.055 0.400 . 1 . . . . 93 TYR CB . 7208 1 369 . 1 1 33 33 TYR CD1 C 13 118.058 0.400 . 1 . . . . 93 TYR CD1 . 7208 1 370 . 1 1 33 33 TYR N N 15 117.630 0.400 . 1 . . . . 93 TYR N . 7208 1 371 . 1 1 34 34 GLY H H 1 8.604 0.020 . 1 . . . . 94 GLY H . 7208 1 372 . 1 1 34 34 GLY HA2 H 1 3.620 0.020 . 2 . . . . 94 GLY HA2 . 7208 1 373 . 1 1 34 34 GLY HA3 H 1 3.670 0.020 . 2 . . . . 94 GLY HA3 . 7208 1 374 . 1 1 34 34 GLY CA C 13 47.811 0.400 . 1 . . . . 94 GLY CA . 7208 1 375 . 1 1 34 34 GLY N N 15 102.867 0.400 . 1 . . . . 94 GLY N . 7208 1 376 . 1 1 35 35 ILE H H 1 8.459 0.020 . 1 . . . . 95 ILE H . 7208 1 377 . 1 1 35 35 ILE HA H 1 3.889 0.020 . 1 . . . . 95 ILE HA . 7208 1 378 . 1 1 35 35 ILE HB H 1 1.974 0.020 . 1 . . . . 95 ILE HB . 7208 1 379 . 1 1 35 35 ILE HG12 H 1 1.669 0.020 . 1 . . . . 95 ILE HG12 . 7208 1 380 . 1 1 35 35 ILE HG13 H 1 1.291 0.020 . 1 . . . . 95 ILE HG13 . 7208 1 381 . 1 1 35 35 ILE HG21 H 1 0.930 0.020 . 1 . . . . 95 ILE HG2 . 7208 1 382 . 1 1 35 35 ILE HG22 H 1 0.930 0.020 . 1 . . . . 95 ILE HG2 . 7208 1 383 . 1 1 35 35 ILE HG23 H 1 0.930 0.020 . 1 . . . . 95 ILE HG2 . 7208 1 384 . 1 1 35 35 ILE HD11 H 1 0.875 0.020 . 1 . . . . 95 ILE HD1 . 7208 1 385 . 1 1 35 35 ILE HD12 H 1 0.875 0.020 . 1 . . . . 95 ILE HD1 . 7208 1 386 . 1 1 35 35 ILE HD13 H 1 0.875 0.020 . 1 . . . . 95 ILE HD1 . 7208 1 387 . 1 1 35 35 ILE CA C 13 64.272 0.400 . 1 . . . . 95 ILE CA . 7208 1 388 . 1 1 35 35 ILE CB C 13 38.153 0.400 . 1 . . . . 95 ILE CB . 7208 1 389 . 1 1 35 35 ILE CG1 C 13 28.823 0.400 . 1 . . . . 95 ILE CG1 . 7208 1 390 . 1 1 35 35 ILE CD1 C 13 13.669 0.400 . 1 . . . . 95 ILE CD1 . 7208 1 391 . 1 1 35 35 ILE N N 15 114.533 0.400 . 1 . . . . 95 ILE N . 7208 1 392 . 1 1 36 36 ARG H H 1 7.487 0.020 . 1 . . . . 96 ARG H . 7208 1 393 . 1 1 36 36 ARG HA H 1 4.162 0.020 . 1 . . . . 96 ARG HA . 7208 1 394 . 1 1 36 36 ARG HB2 H 1 1.831 0.020 . 1 . . . . 96 ARG HB2 . 7208 1 395 . 1 1 36 36 ARG HB3 H 1 1.955 0.020 . 1 . . . . 96 ARG HB3 . 7208 1 396 . 1 1 36 36 ARG HG2 H 1 1.693 0.020 . 1 . . . . 96 ARG HG2 . 7208 1 397 . 1 1 36 36 ARG HG3 H 1 1.693 0.020 . 1 . . . . 96 ARG HG3 . 7208 1 398 . 1 1 36 36 ARG HD2 H 1 3.195 0.020 . 1 . . . . 96 ARG HD2 . 7208 1 399 . 1 1 36 36 ARG HD3 H 1 3.195 0.020 . 1 . . . . 96 ARG HD3 . 7208 1 400 . 1 1 36 36 ARG HE H 1 7.421 0.020 . 1 . . . . 96 ARG HE . 7208 1 401 . 1 1 36 36 ARG CA C 13 57.796 0.400 . 1 . . . . 96 ARG CA . 7208 1 402 . 1 1 36 36 ARG CB C 13 30.392 0.400 . 1 . . . . 96 ARG CB . 7208 1 403 . 1 1 36 36 ARG CG C 13 26.424 0.400 . 1 . . . . 96 ARG CG . 7208 1 404 . 1 1 36 36 ARG CD C 13 43.631 0.400 . 1 . . . . 96 ARG CD . 7208 1 405 . 1 1 36 36 ARG N N 15 113.881 0.400 . 1 . . . . 96 ARG N . 7208 1 406 . 1 1 37 37 ARG H H 1 7.672 0.020 . 1 . . . . 97 ARG H . 7208 1 407 . 1 1 37 37 ARG HA H 1 4.283 0.020 . 1 . . . . 97 ARG HA . 7208 1 408 . 1 1 37 37 ARG HB2 H 1 1.662 0.020 . 1 . . . . 97 ARG HB2 . 7208 1 409 . 1 1 37 37 ARG HB3 H 1 1.976 0.020 . 1 . . . . 97 ARG HB3 . 7208 1 410 . 1 1 37 37 ARG HG2 H 1 1.697 0.020 . 2 . . . . 97 ARG HG2 . 7208 1 411 . 1 1 37 37 ARG HG3 H 1 1.505 0.020 . 2 . . . . 97 ARG HG3 . 7208 1 412 . 1 1 37 37 ARG HD2 H 1 3.031 0.020 . 1 . . . . 97 ARG HD2 . 7208 1 413 . 1 1 37 37 ARG HD3 H 1 3.031 0.020 . 1 . . . . 97 ARG HD3 . 7208 1 414 . 1 1 37 37 ARG HE H 1 7.397 0.020 . 1 . . . . 97 ARG HE . 7208 1 415 . 1 1 37 37 ARG HH21 H 1 7.334 0.020 . 1 . . . . 97 ARG HH21 . 7208 1 416 . 1 1 37 37 ARG HH22 H 1 7.334 0.020 . 1 . . . . 97 ARG HH22 . 7208 1 417 . 1 1 37 37 ARG CA C 13 55.946 0.400 . 1 . . . . 97 ARG CA . 7208 1 418 . 1 1 37 37 ARG CB C 13 31.000 0.400 . 1 . . . . 97 ARG CB . 7208 1 419 . 1 1 37 37 ARG CG C 13 27.266 0.400 . 1 . . . . 97 ARG CG . 7208 1 420 . 1 1 37 37 ARG CD C 13 43.120 0.400 . 1 . . . . 97 ARG CD . 7208 1 421 . 1 1 37 37 ARG N N 15 114.304 0.400 . 1 . . . . 97 ARG N . 7208 1 422 . 1 1 38 38 LEU H H 1 7.244 0.020 . 1 . . . . 98 LEU H . 7208 1 423 . 1 1 38 38 LEU HA H 1 4.092 0.020 . 1 . . . . 98 LEU HA . 7208 1 424 . 1 1 38 38 LEU HB2 H 1 1.798 0.020 . 1 . . . . 98 LEU HB2 . 7208 1 425 . 1 1 38 38 LEU HB3 H 1 1.535 0.020 . 1 . . . . 98 LEU HB3 . 7208 1 426 . 1 1 38 38 LEU HG H 1 1.688 0.020 . 1 . . . . 98 LEU HG . 7208 1 427 . 1 1 38 38 LEU HD11 H 1 0.880 0.020 . 2 . . . . 98 LEU HD1 . 7208 1 428 . 1 1 38 38 LEU HD12 H 1 0.880 0.020 . 2 . . . . 98 LEU HD1 . 7208 1 429 . 1 1 38 38 LEU HD13 H 1 0.880 0.020 . 2 . . . . 98 LEU HD1 . 7208 1 430 . 1 1 38 38 LEU HD21 H 1 0.880 0.020 . 2 . . . . 98 LEU HD2 . 7208 1 431 . 1 1 38 38 LEU HD22 H 1 0.880 0.020 . 2 . . . . 98 LEU HD2 . 7208 1 432 . 1 1 38 38 LEU HD23 H 1 0.880 0.020 . 2 . . . . 98 LEU HD2 . 7208 1 433 . 1 1 38 38 LEU CA C 13 57.117 0.400 . 1 . . . . 98 LEU CA . 7208 1 434 . 1 1 38 38 LEU CB C 13 43.452 0.400 . 1 . . . . 98 LEU CB . 7208 1 435 . 1 1 38 38 LEU CG C 13 26.625 0.400 . 1 . . . . 98 LEU CG . 7208 1 436 . 1 1 38 38 LEU CD1 C 13 23.313 0.400 . 1 . . . . 98 LEU CD1 . 7208 1 437 . 1 1 38 38 LEU N N 15 121.612 0.400 . 1 . . . . 98 LEU N . 7208 1 stop_ save_ save_shifts_bic _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_bic _Assigned_chem_shift_list.Entry_ID 7208 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $bicelles _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 4 $bic_15N13C isotropic 7208 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7208 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.140 0.020 . 1 . . . . 61 ARG HA . 7208 2 2 . 1 1 1 1 ARG HB2 H 1 1.961 0.020 . 1 . . . . 61 ARG HB2 . 7208 2 3 . 1 1 1 1 ARG HB3 H 1 1.961 0.020 . 1 . . . . 61 ARG HB3 . 7208 2 4 . 1 1 1 1 ARG HG2 H 1 1.671 0.020 . 1 . . . . 61 ARG HG2 . 7208 2 5 . 1 1 1 1 ARG HG3 H 1 1.671 0.020 . 1 . . . . 61 ARG HG3 . 7208 2 6 . 1 1 1 1 ARG HD2 H 1 3.225 0.020 . 1 . . . . 61 ARG HD2 . 7208 2 7 . 1 1 1 1 ARG HD3 H 1 3.225 0.020 . 1 . . . . 61 ARG HD3 . 7208 2 8 . 1 1 1 1 ARG CA C 13 55.133 0.400 . 1 . . . . 61 ARG CA . 7208 2 9 . 1 1 1 1 ARG CB C 13 30.993 0.400 . 1 . . . . 61 ARG CB . 7208 2 10 . 1 1 1 1 ARG CG C 13 26.072 0.400 . 1 . . . . 61 ARG CG . 7208 2 11 . 1 1 1 1 ARG CD C 13 43.071 0.400 . 1 . . . . 61 ARG CD . 7208 2 12 . 1 1 2 2 VAL HA H 1 4.174 0.020 . 1 . . . . 62 VAL HA . 7208 2 13 . 1 1 2 2 VAL HB H 1 2.045 0.020 . 1 . . . . 62 VAL HB . 7208 2 14 . 1 1 2 2 VAL HG11 H 1 0.951 0.020 . 2 . . . . 62 VAL HG1 . 7208 2 15 . 1 1 2 2 VAL HG12 H 1 0.951 0.020 . 2 . . . . 62 VAL HG1 . 7208 2 16 . 1 1 2 2 VAL HG13 H 1 0.951 0.020 . 2 . . . . 62 VAL HG1 . 7208 2 17 . 1 1 2 2 VAL C C 13 174.070 0.400 . 1 . . . . 62 VAL C . 7208 2 18 . 1 1 2 2 VAL CA C 13 62.182 0.400 . 1 . . . . 62 VAL CA . 7208 2 19 . 1 1 2 2 VAL CB C 13 32.539 0.400 . 1 . . . . 62 VAL CB . 7208 2 20 . 1 1 2 2 VAL CG1 C 13 21.274 0.400 . 1 . . . . 62 VAL CG1 . 7208 2 21 . 1 1 3 3 GLN H H 1 8.466 0.020 . 1 . . . . 63 GLN H . 7208 2 22 . 1 1 3 3 GLN HA H 1 4.457 0.020 . 1 . . . . 63 GLN HA . 7208 2 23 . 1 1 3 3 GLN HB2 H 1 2.082 0.020 . 2 . . . . 63 GLN HB2 . 7208 2 24 . 1 1 3 3 GLN HB3 H 1 1.961 0.020 . 2 . . . . 63 GLN HB3 . 7208 2 25 . 1 1 3 3 GLN HG2 H 1 2.331 0.020 . 1 . . . . 63 GLN HG2 . 7208 2 26 . 1 1 3 3 GLN HG3 H 1 2.331 0.020 . 1 . . . . 63 GLN HG3 . 7208 2 27 . 1 1 3 3 GLN HE21 H 1 7.464 0.020 . 2 . . . . 63 GLN HE21 . 7208 2 28 . 1 1 3 3 GLN HE22 H 1 6.803 0.020 . 2 . . . . 63 GLN HE22 . 7208 2 29 . 1 1 3 3 GLN C C 13 174.243 0.400 . 1 . . . . 63 GLN C . 7208 2 30 . 1 1 3 3 GLN CA C 13 55.104 0.400 . 1 . . . . 63 GLN CA . 7208 2 31 . 1 1 3 3 GLN CB C 13 29.799 0.400 . 1 . . . . 63 GLN CB . 7208 2 32 . 1 1 3 3 GLN CG C 13 33.593 0.400 . 1 . . . . 63 GLN CG . 7208 2 33 . 1 1 3 3 GLN N N 15 120.821 0.400 . 1 . . . . 63 GLN N . 7208 2 34 . 1 1 3 3 GLN NE2 N 15 107.494 0.400 . 1 . . . . 63 GLN NE2 . 7208 2 35 . 1 1 4 4 LEU H H 1 8.350 0.020 . 1 . . . . 64 LEU H . 7208 2 36 . 1 1 4 4 LEU HA H 1 4.385 0.020 . 1 . . . . 64 LEU HA . 7208 2 37 . 1 1 4 4 LEU HB2 H 1 1.616 0.020 . 1 . . . . 64 LEU HB2 . 7208 2 38 . 1 1 4 4 LEU HB3 H 1 1.616 0.020 . 1 . . . . 64 LEU HB3 . 7208 2 39 . 1 1 4 4 LEU HG H 1 1.681 0.020 . 1 . . . . 64 LEU HG . 7208 2 40 . 1 1 4 4 LEU HD11 H 1 0.923 0.020 . 2 . . . . 64 LEU HD1 . 7208 2 41 . 1 1 4 4 LEU HD12 H 1 0.923 0.020 . 2 . . . . 64 LEU HD1 . 7208 2 42 . 1 1 4 4 LEU HD13 H 1 0.923 0.020 . 2 . . . . 64 LEU HD1 . 7208 2 43 . 1 1 4 4 LEU C C 13 175.551 0.400 . 1 . . . . 64 LEU C . 7208 2 44 . 1 1 4 4 LEU CA C 13 54.759 0.400 . 1 . . . . 64 LEU CA . 7208 2 45 . 1 1 4 4 LEU CB C 13 42.888 0.400 . 1 . . . . 64 LEU CB . 7208 2 46 . 1 1 4 4 LEU CG C 13 26.972 0.400 . 1 . . . . 64 LEU CG . 7208 2 47 . 1 1 4 4 LEU CD1 C 13 25.132 0.400 . 1 . . . . 64 LEU CD1 . 7208 2 48 . 1 1 4 4 LEU N N 15 119.818 0.400 . 1 . . . . 64 LEU N . 7208 2 49 . 1 1 5 5 ALA H H 1 8.293 0.020 . 1 . . . . 65 ALA H . 7208 2 50 . 1 1 5 5 ALA HA H 1 4.286 0.020 . 1 . . . . 65 ALA HA . 7208 2 51 . 1 1 5 5 ALA HB1 H 1 1.324 0.020 . 1 . . . . 65 ALA HB . 7208 2 52 . 1 1 5 5 ALA HB2 H 1 1.324 0.020 . 1 . . . . 65 ALA HB . 7208 2 53 . 1 1 5 5 ALA HB3 H 1 1.324 0.020 . 1 . . . . 65 ALA HB . 7208 2 54 . 1 1 5 5 ALA C C 13 175.999 0.400 . 1 . . . . 65 ALA C . 7208 2 55 . 1 1 5 5 ALA CA C 13 52.289 0.400 . 1 . . . . 65 ALA CA . 7208 2 56 . 1 1 5 5 ALA CB C 13 19.439 0.400 . 1 . . . . 65 ALA CB . 7208 2 57 . 1 1 5 5 ALA N N 15 119.785 0.400 . 1 . . . . 65 ALA N . 7208 2 58 . 1 1 6 6 HIS H H 1 8.005 0.020 . 1 . . . . 66 HIS H . 7208 2 59 . 1 1 6 6 HIS HA H 1 4.462 0.020 . 1 . . . . 66 HIS HA . 7208 2 60 . 1 1 6 6 HIS HB2 H 1 3.006 0.020 . 2 . . . . 66 HIS HB2 . 7208 2 61 . 1 1 6 6 HIS HB3 H 1 2.855 0.020 . 2 . . . . 66 HIS HB3 . 7208 2 62 . 1 1 6 6 HIS C C 13 172.348 0.400 . 1 . . . . 66 HIS C . 7208 2 63 . 1 1 6 6 HIS CA C 13 55.324 0.400 . 1 . . . . 66 HIS CA . 7208 2 64 . 1 1 6 6 HIS CB C 13 29.322 0.400 . 1 . . . . 66 HIS CB . 7208 2 65 . 1 1 6 6 HIS N N 15 112.484 0.400 . 1 . . . . 66 HIS N . 7208 2 66 . 1 1 7 7 HIS H H 1 8.165 0.020 . 1 . . . . 67 HIS H . 7208 2 67 . 1 1 7 7 HIS HA H 1 4.677 0.020 . 1 . . . . 67 HIS HA . 7208 2 68 . 1 1 7 7 HIS HB2 H 1 3.073 0.020 . 2 . . . . 67 HIS HB2 . 7208 2 69 . 1 1 7 7 HIS HB3 H 1 2.990 0.020 . 2 . . . . 67 HIS HB3 . 7208 2 70 . 1 1 7 7 HIS C C 13 172.815 0.400 . 1 . . . . 67 HIS C . 7208 2 71 . 1 1 7 7 HIS CA C 13 54.340 0.400 . 1 . . . . 67 HIS CA . 7208 2 72 . 1 1 7 7 HIS CB C 13 29.030 0.400 . 1 . . . . 67 HIS CB . 7208 2 73 . 1 1 7 7 HIS N N 15 116.988 0.400 . 1 . . . . 67 HIS N . 7208 2 74 . 1 1 8 8 PHE H H 1 8.483 0.020 . 1 . . . . 68 PHE H . 7208 2 75 . 1 1 8 8 PHE HB2 H 1 2.914 0.020 . 2 . . . . 68 PHE HB2 . 7208 2 76 . 1 1 8 8 PHE HB3 H 1 3.117 0.020 . 2 . . . . 68 PHE HB3 . 7208 2 77 . 1 1 8 8 PHE HD1 H 1 7.357 0.020 . 1 . . . . 68 PHE HD1 . 7208 2 78 . 1 1 8 8 PHE C C 13 174.056 0.400 . 1 . . . . 68 PHE C . 7208 2 79 . 1 1 8 8 PHE CA C 13 58.126 0.400 . 1 . . . . 68 PHE CA . 7208 2 80 . 1 1 8 8 PHE CB C 13 40.008 0.400 . 1 . . . . 68 PHE CB . 7208 2 81 . 1 1 8 8 PHE N N 15 118.665 0.400 . 1 . . . . 68 PHE N . 7208 2 82 . 1 1 9 9 SER H H 1 8.589 0.020 . 1 . . . . 69 SER H . 7208 2 83 . 1 1 9 9 SER HA H 1 4.678 0.020 . 1 . . . . 69 SER HA . 7208 2 84 . 1 1 9 9 SER HB2 H 1 4.051 0.020 . 1 . . . . 69 SER HB2 . 7208 2 85 . 1 1 9 9 SER HB3 H 1 4.241 0.020 . 1 . . . . 69 SER HB3 . 7208 2 86 . 1 1 9 9 SER C C 13 173.571 0.400 . 1 . . . . 69 SER C . 7208 2 87 . 1 1 9 9 SER CA C 13 56.529 0.400 . 1 . . . . 69 SER CA . 7208 2 88 . 1 1 9 9 SER N N 15 113.795 0.400 . 1 . . . . 69 SER N . 7208 2 89 . 1 1 10 10 GLU H H 1 9.236 0.020 . 1 . . . . 70 GLU H . 7208 2 90 . 1 1 10 10 GLU HA H 1 4.298 0.020 . 1 . . . . 70 GLU HA . 7208 2 91 . 1 1 10 10 GLU HB2 H 1 2.385 0.020 . 2 . . . . 70 GLU HB2 . 7208 2 92 . 1 1 10 10 GLU HB3 H 1 2.461 0.020 . 2 . . . . 70 GLU HB3 . 7208 2 93 . 1 1 10 10 GLU HG2 H 1 2.212 0.020 . 1 . . . . 70 GLU HG2 . 7208 2 94 . 1 1 10 10 GLU HG3 H 1 2.212 0.020 . 1 . . . . 70 GLU HG3 . 7208 2 95 . 1 1 10 10 GLU CA C 13 61.132 0.400 . 1 . . . . 70 GLU CA . 7208 2 96 . 1 1 10 10 GLU CB C 13 35.210 0.400 . 1 . . . . 70 GLU CB . 7208 2 97 . 1 1 10 10 GLU N N 15 116.736 0.400 . 1 . . . . 70 GLU N . 7208 2 98 . 1 1 11 11 PRO HA H 1 4.306 0.020 . 1 . . . . 71 PRO HA . 7208 2 99 . 1 1 11 11 PRO HB2 H 1 2.363 0.020 . 1 . . . . 71 PRO HB2 . 7208 2 100 . 1 1 11 11 PRO HB3 H 1 1.868 0.020 . 1 . . . . 71 PRO HB3 . 7208 2 101 . 1 1 11 11 PRO HG2 H 1 2.010 0.020 . 1 . . . . 71 PRO HG2 . 7208 2 102 . 1 1 11 11 PRO HG3 H 1 2.215 0.020 . 1 . . . . 71 PRO HG3 . 7208 2 103 . 1 1 11 11 PRO HD2 H 1 3.882 0.020 . 1 . . . . 71 PRO HD2 . 7208 2 104 . 1 1 11 11 PRO HD3 H 1 3.990 0.020 . 1 . . . . 71 PRO HD3 . 7208 2 105 . 1 1 11 11 PRO C C 13 178.081 0.400 . 1 . . . . 71 PRO C . 7208 2 106 . 1 1 11 11 PRO CA C 13 66.209 0.400 . 1 . . . . 71 PRO CA . 7208 2 107 . 1 1 11 11 PRO CB C 13 31.503 0.400 . 1 . . . . 71 PRO CB . 7208 2 108 . 1 1 11 11 PRO CG C 13 28.463 0.400 . 1 . . . . 71 PRO CG . 7208 2 109 . 1 1 11 11 PRO CD C 13 50.010 0.400 . 1 . . . . 71 PRO CD . 7208 2 110 . 1 1 12 12 GLU H H 1 7.465 0.020 . 1 . . . . 72 GLU H . 7208 2 111 . 1 1 12 12 GLU HA H 1 3.953 0.020 . 1 . . . . 72 GLU HA . 7208 2 112 . 1 1 12 12 GLU HB2 H 1 2.336 0.020 . 2 . . . . 72 GLU HB2 . 7208 2 113 . 1 1 12 12 GLU HB3 H 1 2.454 0.020 . 2 . . . . 72 GLU HB3 . 7208 2 114 . 1 1 12 12 GLU C C 13 177.343 0.400 . 1 . . . . 72 GLU C . 7208 2 115 . 1 1 12 12 GLU CA C 13 59.835 0.400 . 1 . . . . 72 GLU CA . 7208 2 116 . 1 1 12 12 GLU CB C 13 36.743 0.400 . 1 . . . . 72 GLU CB . 7208 2 117 . 1 1 12 12 GLU N N 15 111.252 0.400 . 1 . . . . 72 GLU N . 7208 2 118 . 1 1 13 13 ILE H H 1 8.246 0.020 . 1 . . . . 73 ILE H . 7208 2 119 . 1 1 13 13 ILE HA H 1 3.628 0.020 . 1 . . . . 73 ILE HA . 7208 2 120 . 1 1 13 13 ILE HB H 1 2.023 0.020 . 1 . . . . 73 ILE HB . 7208 2 121 . 1 1 13 13 ILE HG12 H 1 1.708 0.020 . 2 . . . . 73 ILE HG12 . 7208 2 122 . 1 1 13 13 ILE HG13 H 1 1.121 0.020 . 2 . . . . 73 ILE HG13 . 7208 2 123 . 1 1 13 13 ILE HG21 H 1 0.855 0.020 . 1 . . . . 73 ILE HG2 . 7208 2 124 . 1 1 13 13 ILE HG22 H 1 0.855 0.020 . 1 . . . . 73 ILE HG2 . 7208 2 125 . 1 1 13 13 ILE HG23 H 1 0.855 0.020 . 1 . . . . 73 ILE HG2 . 7208 2 126 . 1 1 13 13 ILE HD11 H 1 0.772 0.020 . 1 . . . . 73 ILE HD1 . 7208 2 127 . 1 1 13 13 ILE HD12 H 1 0.772 0.020 . 1 . . . . 73 ILE HD1 . 7208 2 128 . 1 1 13 13 ILE HD13 H 1 0.772 0.020 . 1 . . . . 73 ILE HD1 . 7208 2 129 . 1 1 13 13 ILE C C 13 176.727 0.400 . 1 . . . . 73 ILE C . 7208 2 130 . 1 1 13 13 ILE CA C 13 64.245 0.400 . 1 . . . . 73 ILE CA . 7208 2 131 . 1 1 13 13 ILE CB C 13 37.375 0.400 . 1 . . . . 73 ILE CB . 7208 2 132 . 1 1 13 13 ILE CG1 C 13 29.327 0.400 . 1 . . . . 73 ILE CG1 . 7208 2 133 . 1 1 13 13 ILE CG2 C 13 17.620 0.400 . 1 . . . . 73 ILE CG2 . 7208 2 134 . 1 1 13 13 ILE CD1 C 13 12.940 0.400 . 1 . . . . 73 ILE CD1 . 7208 2 135 . 1 1 13 13 ILE N N 15 113.452 0.400 . 1 . . . . 73 ILE N . 7208 2 136 . 1 1 14 14 THR H H 1 8.249 0.020 . 1 . . . . 74 THR H . 7208 2 137 . 1 1 14 14 THR HA H 1 3.647 0.020 . 1 . . . . 74 THR HA . 7208 2 138 . 1 1 14 14 THR HB H 1 4.249 0.020 . 1 . . . . 74 THR HB . 7208 2 139 . 1 1 14 14 THR HG1 H 1 4.620 0.020 . 1 . . . . 74 THR HG1 . 7208 2 140 . 1 1 14 14 THR HG21 H 1 1.106 0.020 . 1 . . . . 74 THR HG2 . 7208 2 141 . 1 1 14 14 THR HG22 H 1 1.106 0.020 . 1 . . . . 74 THR HG2 . 7208 2 142 . 1 1 14 14 THR HG23 H 1 1.106 0.020 . 1 . . . . 74 THR HG2 . 7208 2 143 . 1 1 14 14 THR C C 13 174.654 0.400 . 1 . . . . 74 THR C . 7208 2 144 . 1 1 14 14 THR CA C 13 67.677 0.400 . 1 . . . . 74 THR CA . 7208 2 145 . 1 1 14 14 THR CB C 13 67.796 0.400 . 1 . . . . 74 THR CB . 7208 2 146 . 1 1 14 14 THR CG2 C 13 22.052 0.400 . 1 . . . . 74 THR CG2 . 7208 2 147 . 1 1 14 14 THR N N 15 112.050 0.400 . 1 . . . . 74 THR N . 7208 2 148 . 1 1 15 15 LEU H H 1 7.653 0.020 . 1 . . . . 75 LEU H . 7208 2 149 . 1 1 15 15 LEU HA H 1 4.000 0.020 . 1 . . . . 75 LEU HA . 7208 2 150 . 1 1 15 15 LEU HB2 H 1 2.154 0.020 . 1 . . . . 75 LEU HB2 . 7208 2 151 . 1 1 15 15 LEU HB3 H 1 1.928 0.020 . 1 . . . . 75 LEU HB3 . 7208 2 152 . 1 1 15 15 LEU HG H 1 1.457 0.020 . 1 . . . . 75 LEU HG . 7208 2 153 . 1 1 15 15 LEU HD11 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 2 154 . 1 1 15 15 LEU HD12 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 2 155 . 1 1 15 15 LEU HD13 H 1 1.053 0.020 . 1 . . . . 75 LEU HD1 . 7208 2 156 . 1 1 15 15 LEU HD21 H 1 0.861 0.020 . 1 . . . . 75 LEU HD2 . 7208 2 157 . 1 1 15 15 LEU HD22 H 1 0.861 0.020 . 1 . . . . 75 LEU HD2 . 7208 2 158 . 1 1 15 15 LEU HD23 H 1 0.861 0.020 . 1 . . . . 75 LEU HD2 . 7208 2 159 . 1 1 15 15 LEU C C 13 177.764 0.400 . 1 . . . . 75 LEU C . 7208 2 160 . 1 1 15 15 LEU CA C 13 58.602 0.400 . 1 . . . . 75 LEU CA . 7208 2 161 . 1 1 15 15 LEU CB C 13 42.036 0.400 . 1 . . . . 75 LEU CB . 7208 2 162 . 1 1 15 15 LEU CD1 C 13 26.508 0.400 . 1 . . . . 75 LEU CD1 . 7208 2 163 . 1 1 15 15 LEU CD2 C 13 23.496 0.400 . 1 . . . . 75 LEU CD2 . 7208 2 164 . 1 1 15 15 LEU N N 15 116.007 0.400 . 1 . . . . 75 LEU N . 7208 2 165 . 1 1 16 16 ILE H H 1 7.752 0.020 . 1 . . . . 76 ILE H . 7208 2 166 . 1 1 16 16 ILE HA H 1 3.741 0.020 . 1 . . . . 76 ILE HA . 7208 2 167 . 1 1 16 16 ILE HB H 1 2.036 0.020 . 1 . . . . 76 ILE HB . 7208 2 168 . 1 1 16 16 ILE HG12 H 1 1.079 0.020 . 1 . . . . 76 ILE HG12 . 7208 2 169 . 1 1 16 16 ILE HG13 H 1 1.079 0.020 . 1 . . . . 76 ILE HG13 . 7208 2 170 . 1 1 16 16 ILE HG21 H 1 0.843 0.020 . 1 . . . . 76 ILE HG2 . 7208 2 171 . 1 1 16 16 ILE HG22 H 1 0.843 0.020 . 1 . . . . 76 ILE HG2 . 7208 2 172 . 1 1 16 16 ILE HG23 H 1 0.843 0.020 . 1 . . . . 76 ILE HG2 . 7208 2 173 . 1 1 16 16 ILE HD11 H 1 0.687 0.020 . 1 . . . . 76 ILE HD1 . 7208 2 174 . 1 1 16 16 ILE HD12 H 1 0.687 0.020 . 1 . . . . 76 ILE HD1 . 7208 2 175 . 1 1 16 16 ILE HD13 H 1 0.687 0.020 . 1 . . . . 76 ILE HD1 . 7208 2 176 . 1 1 16 16 ILE C C 13 177.502 0.400 . 1 . . . . 76 ILE C . 7208 2 177 . 1 1 16 16 ILE CA C 13 65.579 0.400 . 1 . . . . 76 ILE CA . 7208 2 178 . 1 1 16 16 ILE CB C 13 36.717 0.400 . 1 . . . . 76 ILE CB . 7208 2 179 . 1 1 16 16 ILE CG1 C 13 29.568 0.400 . 1 . . . . 76 ILE CG1 . 7208 2 180 . 1 1 16 16 ILE CG2 C 13 17.416 0.400 . 1 . . . . 76 ILE CG2 . 7208 2 181 . 1 1 16 16 ILE CD1 C 13 13.545 0.400 . 1 . . . . 76 ILE CD1 . 7208 2 182 . 1 1 16 16 ILE N N 15 113.529 0.400 . 1 . . . . 76 ILE N . 7208 2 183 . 1 1 17 17 ILE H H 1 8.530 0.020 . 1 . . . . 77 ILE H . 7208 2 184 . 1 1 17 17 ILE HA H 1 3.557 0.020 . 1 . . . . 77 ILE HA . 7208 2 185 . 1 1 17 17 ILE HB H 1 2.020 0.020 . 1 . . . . 77 ILE HB . 7208 2 186 . 1 1 17 17 ILE HG12 H 1 1.792 0.020 . 1 . . . . 77 ILE HG12 . 7208 2 187 . 1 1 17 17 ILE HG13 H 1 1.128 0.020 . 1 . . . . 77 ILE HG13 . 7208 2 188 . 1 1 17 17 ILE HG21 H 1 0.898 0.020 . 1 . . . . 77 ILE HG2 . 7208 2 189 . 1 1 17 17 ILE HG22 H 1 0.898 0.020 . 1 . . . . 77 ILE HG2 . 7208 2 190 . 1 1 17 17 ILE HG23 H 1 0.898 0.020 . 1 . . . . 77 ILE HG2 . 7208 2 191 . 1 1 17 17 ILE HD11 H 1 0.740 0.020 . 1 . . . . 77 ILE HD1 . 7208 2 192 . 1 1 17 17 ILE HD12 H 1 0.740 0.020 . 1 . . . . 77 ILE HD1 . 7208 2 193 . 1 1 17 17 ILE HD13 H 1 0.740 0.020 . 1 . . . . 77 ILE HD1 . 7208 2 194 . 1 1 17 17 ILE C C 13 176.708 0.400 . 1 . . . . 77 ILE C . 7208 2 195 . 1 1 17 17 ILE CA C 13 65.134 0.400 . 1 . . . . 77 ILE CA . 7208 2 196 . 1 1 17 17 ILE CB C 13 38.484 0.400 . 1 . . . . 77 ILE CB . 7208 2 197 . 1 1 17 17 ILE CG1 C 13 29.288 0.400 . 1 . . . . 77 ILE CG1 . 7208 2 198 . 1 1 17 17 ILE CG2 C 13 17.926 0.400 . 1 . . . . 77 ILE CG2 . 7208 2 199 . 1 1 17 17 ILE CD1 C 13 13.007 0.400 . 1 . . . . 77 ILE CD1 . 7208 2 200 . 1 1 17 17 ILE N N 15 114.682 0.400 . 1 . . . . 77 ILE N . 7208 2 201 . 1 1 18 18 PHE H H 1 8.683 0.020 . 1 . . . . 78 PHE H . 7208 2 202 . 1 1 18 18 PHE HA H 1 4.215 0.020 . 1 . . . . 78 PHE HA . 7208 2 203 . 1 1 18 18 PHE HB2 H 1 3.232 0.020 . 1 . . . . 78 PHE HB2 . 7208 2 204 . 1 1 18 18 PHE HB3 H 1 3.232 0.020 . 1 . . . . 78 PHE HB3 . 7208 2 205 . 1 1 18 18 PHE C C 13 176.512 0.400 . 1 . . . . 78 PHE C . 7208 2 206 . 1 1 18 18 PHE CA C 13 61.309 0.400 . 1 . . . . 78 PHE CA . 7208 2 207 . 1 1 18 18 PHE CB C 13 38.451 0.400 . 1 . . . . 78 PHE CB . 7208 2 208 . 1 1 18 18 PHE N N 15 116.209 0.400 . 1 . . . . 78 PHE N . 7208 2 209 . 1 1 19 19 GLY H H 1 8.340 0.020 . 1 . . . . 79 GLY H . 7208 2 210 . 1 1 19 19 GLY HA2 H 1 3.557 0.020 . 2 . . . . 79 GLY HA2 . 7208 2 211 . 1 1 19 19 GLY HA3 H 1 4.240 0.020 . 2 . . . . 79 GLY HA3 . 7208 2 212 . 1 1 19 19 GLY C C 13 173.506 0.400 . 1 . . . . 79 GLY C . 7208 2 213 . 1 1 19 19 GLY CA C 13 47.853 0.400 . 1 . . . . 79 GLY CA . 7208 2 214 . 1 1 19 19 GLY N N 15 101.766 0.400 . 1 . . . . 79 GLY N . 7208 2 215 . 1 1 20 20 VAL H H 1 8.845 0.020 . 1 . . . . 80 VAL H . 7208 2 216 . 1 1 20 20 VAL HA H 1 3.609 0.020 . 1 . . . . 80 VAL HA . 7208 2 217 . 1 1 20 20 VAL HB H 1 2.246 0.020 . 1 . . . . 80 VAL HB . 7208 2 218 . 1 1 20 20 VAL HG11 H 1 0.759 0.020 . 1 . . . . 80 VAL HG1 . 7208 2 219 . 1 1 20 20 VAL HG12 H 1 0.759 0.020 . 1 . . . . 80 VAL HG1 . 7208 2 220 . 1 1 20 20 VAL HG13 H 1 0.759 0.020 . 1 . . . . 80 VAL HG1 . 7208 2 221 . 1 1 20 20 VAL HG21 H 1 1.046 0.020 . 1 . . . . 80 VAL HG2 . 7208 2 222 . 1 1 20 20 VAL HG22 H 1 1.046 0.020 . 1 . . . . 80 VAL HG2 . 7208 2 223 . 1 1 20 20 VAL HG23 H 1 1.046 0.020 . 1 . . . . 80 VAL HG2 . 7208 2 224 . 1 1 20 20 VAL C C 13 177.511 0.400 . 1 . . . . 80 VAL C . 7208 2 225 . 1 1 20 20 VAL CA C 13 66.035 0.400 . 1 . . . . 80 VAL CA . 7208 2 226 . 1 1 20 20 VAL CB C 13 31.753 0.400 . 1 . . . . 80 VAL CB . 7208 2 227 . 1 1 20 20 VAL CG1 C 13 22.109 0.400 . 1 . . . . 80 VAL CG1 . 7208 2 228 . 1 1 20 20 VAL CG2 C 13 23.383 0.400 . 1 . . . . 80 VAL CG2 . 7208 2 229 . 1 1 20 20 VAL N N 15 118.310 0.400 . 1 . . . . 80 VAL N . 7208 2 230 . 1 1 21 21 MET H H 1 8.381 0.020 . 1 . . . . 81 MET H . 7208 2 231 . 1 1 21 21 MET HA H 1 3.903 0.020 . 1 . . . . 81 MET HA . 7208 2 232 . 1 1 21 21 MET HB2 H 1 2.287 0.020 . 2 . . . . 81 MET HB2 . 7208 2 233 . 1 1 21 21 MET HB3 H 1 1.896 0.020 . 2 . . . . 81 MET HB3 . 7208 2 234 . 1 1 21 21 MET HG2 H 1 2.376 0.020 . 2 . . . . 81 MET HG2 . 7208 2 235 . 1 1 21 21 MET HG3 H 1 2.677 0.020 . 2 . . . . 81 MET HG3 . 7208 2 236 . 1 1 21 21 MET HE1 H 1 1.879 0.020 . 1 . . . . 81 MET HE . 7208 2 237 . 1 1 21 21 MET HE2 H 1 1.879 0.020 . 1 . . . . 81 MET HE . 7208 2 238 . 1 1 21 21 MET HE3 H 1 1.879 0.020 . 1 . . . . 81 MET HE . 7208 2 239 . 1 1 21 21 MET C C 13 176.764 0.400 . 1 . . . . 81 MET C . 7208 2 240 . 1 1 21 21 MET CA C 13 58.941 0.400 . 1 . . . . 81 MET CA . 7208 2 241 . 1 1 21 21 MET CB C 13 31.390 0.400 . 1 . . . . 81 MET CB . 7208 2 242 . 1 1 21 21 MET CG C 13 32.873 0.400 . 1 . . . . 81 MET CG . 7208 2 243 . 1 1 21 21 MET CE C 13 16.441 0.400 . 1 . . . . 81 MET CE . 7208 2 244 . 1 1 21 21 MET N N 15 112.329 0.400 . 1 . . . . 81 MET N . 7208 2 245 . 1 1 22 22 ALA H H 1 8.281 0.020 . 1 . . . . 82 ALA H . 7208 2 246 . 1 1 22 22 ALA HA H 1 3.838 0.020 . 1 . . . . 82 ALA HA . 7208 2 247 . 1 1 22 22 ALA HB1 H 1 1.254 0.020 . 1 . . . . 82 ALA HB . 7208 2 248 . 1 1 22 22 ALA HB2 H 1 1.254 0.020 . 1 . . . . 82 ALA HB . 7208 2 249 . 1 1 22 22 ALA HB3 H 1 1.254 0.020 . 1 . . . . 82 ALA HB . 7208 2 250 . 1 1 22 22 ALA C C 13 178.529 0.400 . 1 . . . . 82 ALA C . 7208 2 251 . 1 1 22 22 ALA CA C 13 55.192 0.400 . 1 . . . . 82 ALA CA . 7208 2 252 . 1 1 22 22 ALA CB C 13 17.742 0.400 . 1 . . . . 82 ALA CB . 7208 2 253 . 1 1 22 22 ALA N N 15 116.323 0.400 . 1 . . . . 82 ALA N . 7208 2 254 . 1 1 23 23 GLY H H 1 8.874 0.020 . 1 . . . . 83 GLY H . 7208 2 255 . 1 1 23 23 GLY HA2 H 1 4.188 0.020 . 2 . . . . 83 GLY HA2 . 7208 2 256 . 1 1 23 23 GLY HA3 H 1 3.726 0.020 . 2 . . . . 83 GLY HA3 . 7208 2 257 . 1 1 23 23 GLY C C 13 174.785 0.400 . 1 . . . . 83 GLY C . 7208 2 258 . 1 1 23 23 GLY CA C 13 47.571 0.400 . 1 . . . . 83 GLY CA . 7208 2 259 . 1 1 23 23 GLY N N 15 100.839 0.400 . 1 . . . . 83 GLY N . 7208 2 260 . 1 1 24 24 VAL H H 1 8.665 0.020 . 1 . . . . 84 VAL H . 7208 2 261 . 1 1 24 24 VAL HA H 1 3.904 0.020 . 1 . . . . 84 VAL HA . 7208 2 262 . 1 1 24 24 VAL HB H 1 2.074 0.020 . 1 . . . . 84 VAL HB . 7208 2 263 . 1 1 24 24 VAL HG11 H 1 0.857 0.020 . 1 . . . . 84 VAL HG1 . 7208 2 264 . 1 1 24 24 VAL HG12 H 1 0.857 0.020 . 1 . . . . 84 VAL HG1 . 7208 2 265 . 1 1 24 24 VAL HG13 H 1 0.857 0.020 . 1 . . . . 84 VAL HG1 . 7208 2 266 . 1 1 24 24 VAL HG21 H 1 0.994 0.020 . 1 . . . . 84 VAL HG2 . 7208 2 267 . 1 1 24 24 VAL HG22 H 1 0.994 0.020 . 1 . . . . 84 VAL HG2 . 7208 2 268 . 1 1 24 24 VAL HG23 H 1 0.994 0.020 . 1 . . . . 84 VAL HG2 . 7208 2 269 . 1 1 24 24 VAL C C 13 176.830 0.400 . 1 . . . . 84 VAL C . 7208 2 270 . 1 1 24 24 VAL CA C 13 65.671 0.400 . 1 . . . . 84 VAL CA . 7208 2 271 . 1 1 24 24 VAL CB C 13 32.342 0.400 . 1 . . . . 84 VAL CB . 7208 2 272 . 1 1 24 24 VAL CG1 C 13 20.620 0.400 . 1 . . . . 84 VAL CG1 . 7208 2 273 . 1 1 24 24 VAL CG2 C 13 21.759 0.400 . 1 . . . . 84 VAL CG2 . 7208 2 274 . 1 1 24 24 VAL N N 15 120.335 0.400 . 1 . . . . 84 VAL N . 7208 2 275 . 1 1 25 25 ILE H H 1 8.293 0.020 . 1 . . . . 85 ILE H . 7208 2 276 . 1 1 25 25 ILE HA H 1 3.573 0.020 . 1 . . . . 85 ILE HA . 7208 2 277 . 1 1 25 25 ILE HB H 1 1.844 0.020 . 1 . . . . 85 ILE HB . 7208 2 278 . 1 1 25 25 ILE HG12 H 1 1.036 0.020 . 1 . . . . 85 ILE HG12 . 7208 2 279 . 1 1 25 25 ILE HG13 H 1 1.036 0.020 . 1 . . . . 85 ILE HG13 . 7208 2 280 . 1 1 25 25 ILE HG21 H 1 0.861 0.020 . 1 . . . . 85 ILE HG2 . 7208 2 281 . 1 1 25 25 ILE HG22 H 1 0.861 0.020 . 1 . . . . 85 ILE HG2 . 7208 2 282 . 1 1 25 25 ILE HG23 H 1 0.861 0.020 . 1 . . . . 85 ILE HG2 . 7208 2 283 . 1 1 25 25 ILE HD11 H 1 0.761 0.020 . 1 . . . . 85 ILE HD1 . 7208 2 284 . 1 1 25 25 ILE HD12 H 1 0.761 0.020 . 1 . . . . 85 ILE HD1 . 7208 2 285 . 1 1 25 25 ILE HD13 H 1 0.761 0.020 . 1 . . . . 85 ILE HD1 . 7208 2 286 . 1 1 25 25 ILE C C 13 177.101 0.400 . 1 . . . . 85 ILE C . 7208 2 287 . 1 1 25 25 ILE CA C 13 65.313 0.400 . 1 . . . . 85 ILE CA . 7208 2 288 . 1 1 25 25 ILE CB C 13 37.490 0.400 . 1 . . . . 85 ILE CB . 7208 2 289 . 1 1 25 25 ILE CG2 C 13 17.676 0.400 . 1 . . . . 85 ILE CG2 . 7208 2 290 . 1 1 25 25 ILE CD1 C 13 13.015 0.400 . 1 . . . . 85 ILE CD1 . 7208 2 291 . 1 1 25 25 ILE N N 15 112.968 0.400 . 1 . . . . 85 ILE N . 7208 2 292 . 1 1 26 26 GLY H H 1 8.899 0.020 . 1 . . . . 86 GLY H . 7208 2 293 . 1 1 26 26 GLY HA2 H 1 3.544 0.020 . 1 . . . . 86 GLY HA2 . 7208 2 294 . 1 1 26 26 GLY HA3 H 1 3.544 0.020 . 1 . . . . 86 GLY HA3 . 7208 2 295 . 1 1 26 26 GLY C C 13 173.281 0.400 . 1 . . . . 86 GLY C . 7208 2 296 . 1 1 26 26 GLY CA C 13 47.616 0.400 . 1 . . . . 86 GLY CA . 7208 2 297 . 1 1 26 26 GLY N N 15 101.320 0.400 . 1 . . . . 86 GLY N . 7208 2 298 . 1 1 27 27 THR H H 1 7.851 0.020 . 1 . . . . 87 THR H . 7208 2 299 . 1 1 27 27 THR HA H 1 3.784 0.020 . 1 . . . . 87 THR HA . 7208 2 300 . 1 1 27 27 THR HB H 1 4.338 0.020 . 1 . . . . 87 THR HB . 7208 2 301 . 1 1 27 27 THR HG1 H 1 4.940 0.020 . 1 . . . . 87 THR HG1 . 7208 2 302 . 1 1 27 27 THR HG21 H 1 1.160 0.020 . 1 . . . . 87 THR HG2 . 7208 2 303 . 1 1 27 27 THR HG22 H 1 1.160 0.020 . 1 . . . . 87 THR HG2 . 7208 2 304 . 1 1 27 27 THR HG23 H 1 1.160 0.020 . 1 . . . . 87 THR HG2 . 7208 2 305 . 1 1 27 27 THR C C 13 175.298 0.400 . 1 . . . . 87 THR C . 7208 2 306 . 1 1 27 27 THR CA C 13 68.577 0.400 . 1 . . . . 87 THR CA . 7208 2 307 . 1 1 27 27 THR CB C 13 67.303 0.400 . 1 . . . . 87 THR CB . 7208 2 308 . 1 1 27 27 THR CG2 C 13 21.804 0.400 . 1 . . . . 87 THR CG2 . 7208 2 309 . 1 1 27 27 THR N N 15 113.612 0.400 . 1 . . . . 87 THR N . 7208 2 310 . 1 1 28 28 ILE H H 1 8.169 0.020 . 1 . . . . 88 ILE H . 7208 2 311 . 1 1 28 28 ILE HA H 1 3.573 0.020 . 1 . . . . 88 ILE HA . 7208 2 312 . 1 1 28 28 ILE HB H 1 2.054 0.020 . 1 . . . . 88 ILE HB . 7208 2 313 . 1 1 28 28 ILE HG12 H 1 1.825 0.020 . 2 . . . . 88 ILE HG12 . 7208 2 314 . 1 1 28 28 ILE HG13 H 1 1.166 0.020 . 2 . . . . 88 ILE HG13 . 7208 2 315 . 1 1 28 28 ILE HG21 H 1 0.850 0.020 . 1 . . . . 88 ILE HG2 . 7208 2 316 . 1 1 28 28 ILE HG22 H 1 0.850 0.020 . 1 . . . . 88 ILE HG2 . 7208 2 317 . 1 1 28 28 ILE HG23 H 1 0.850 0.020 . 1 . . . . 88 ILE HG2 . 7208 2 318 . 1 1 28 28 ILE HD11 H 1 0.759 0.020 . 1 . . . . 88 ILE HD1 . 7208 2 319 . 1 1 28 28 ILE HD12 H 1 0.759 0.020 . 1 . . . . 88 ILE HD1 . 7208 2 320 . 1 1 28 28 ILE HD13 H 1 0.759 0.020 . 1 . . . . 88 ILE HD1 . 7208 2 321 . 1 1 28 28 ILE C C 13 177.708 0.400 . 1 . . . . 88 ILE C . 7208 2 322 . 1 1 28 28 ILE CA C 13 65.188 0.400 . 1 . . . . 88 ILE CA . 7208 2 323 . 1 1 28 28 ILE CB C 13 37.012 0.400 . 1 . . . . 88 ILE CB . 7208 2 324 . 1 1 28 28 ILE CG1 C 13 29.365 0.400 . 1 . . . . 88 ILE CG1 . 7208 2 325 . 1 1 28 28 ILE CG2 C 13 17.578 0.400 . 1 . . . . 88 ILE CG2 . 7208 2 326 . 1 1 28 28 ILE CD1 C 13 13.761 0.400 . 1 . . . . 88 ILE CD1 . 7208 2 327 . 1 1 28 28 ILE N N 15 115.978 0.400 . 1 . . . . 88 ILE N . 7208 2 328 . 1 1 29 29 LEU H H 1 8.524 0.020 . 1 . . . . 89 LEU H . 7208 2 329 . 1 1 29 29 LEU HA H 1 4.025 0.020 . 1 . . . . 89 LEU HA . 7208 2 330 . 1 1 29 29 LEU HB2 H 1 1.920 0.020 . 1 . . . . 89 LEU HB2 . 7208 2 331 . 1 1 29 29 LEU HB3 H 1 1.468 0.020 . 1 . . . . 89 LEU HB3 . 7208 2 332 . 1 1 29 29 LEU HG H 1 1.892 0.020 . 1 . . . . 89 LEU HG . 7208 2 333 . 1 1 29 29 LEU HD11 H 1 0.847 0.020 . 2 . . . . 89 LEU HD1 . 7208 2 334 . 1 1 29 29 LEU HD12 H 1 0.847 0.020 . 2 . . . . 89 LEU HD1 . 7208 2 335 . 1 1 29 29 LEU HD13 H 1 0.847 0.020 . 2 . . . . 89 LEU HD1 . 7208 2 336 . 1 1 29 29 LEU HD21 H 1 0.847 0.020 . 2 . . . . 89 LEU HD2 . 7208 2 337 . 1 1 29 29 LEU HD22 H 1 0.847 0.020 . 2 . . . . 89 LEU HD2 . 7208 2 338 . 1 1 29 29 LEU HD23 H 1 0.847 0.020 . 2 . . . . 89 LEU HD2 . 7208 2 339 . 1 1 29 29 LEU C C 13 177.483 0.400 . 1 . . . . 89 LEU C . 7208 2 340 . 1 1 29 29 LEU CA C 13 58.197 0.400 . 1 . . . . 89 LEU CA . 7208 2 341 . 1 1 29 29 LEU CB C 13 41.808 0.400 . 1 . . . . 89 LEU CB . 7208 2 342 . 1 1 29 29 LEU CG C 13 27.079 0.400 . 1 . . . . 89 LEU CG . 7208 2 343 . 1 1 29 29 LEU CD1 C 13 25.944 0.400 . 1 . . . . 89 LEU CD1 . 7208 2 344 . 1 1 29 29 LEU N N 15 116.454 0.400 . 1 . . . . 89 LEU N . 7208 2 345 . 1 1 30 30 LEU H H 1 8.230 0.020 . 1 . . . . 90 LEU H . 7208 2 346 . 1 1 30 30 LEU HA H 1 4.083 0.020 . 1 . . . . 90 LEU HA . 7208 2 347 . 1 1 30 30 LEU HB2 H 1 1.737 0.020 . 1 . . . . 90 LEU HB2 . 7208 2 348 . 1 1 30 30 LEU HB3 H 1 1.915 0.020 . 1 . . . . 90 LEU HB3 . 7208 2 349 . 1 1 30 30 LEU HG H 1 1.785 0.020 . 1 . . . . 90 LEU HG . 7208 2 350 . 1 1 30 30 LEU HD11 H 1 0.843 0.020 . 2 . . . . 90 LEU HD1 . 7208 2 351 . 1 1 30 30 LEU HD12 H 1 0.843 0.020 . 2 . . . . 90 LEU HD1 . 7208 2 352 . 1 1 30 30 LEU HD13 H 1 0.843 0.020 . 2 . . . . 90 LEU HD1 . 7208 2 353 . 1 1 30 30 LEU HD21 H 1 0.843 0.020 . 2 . . . . 90 LEU HD2 . 7208 2 354 . 1 1 30 30 LEU HD22 H 1 0.843 0.020 . 2 . . . . 90 LEU HD2 . 7208 2 355 . 1 1 30 30 LEU HD23 H 1 0.843 0.020 . 2 . . . . 90 LEU HD2 . 7208 2 356 . 1 1 30 30 LEU C C 13 177.922 0.400 . 1 . . . . 90 LEU C . 7208 2 357 . 1 1 30 30 LEU CA C 13 58.415 0.400 . 1 . . . . 90 LEU CA . 7208 2 358 . 1 1 30 30 LEU CB C 13 42.029 0.400 . 1 . . . . 90 LEU CB . 7208 2 359 . 1 1 30 30 LEU CG C 13 27.134 0.400 . 1 . . . . 90 LEU CG . 7208 2 360 . 1 1 30 30 LEU CD1 C 13 24.850 0.400 . 1 . . . . 90 LEU CD1 . 7208 2 361 . 1 1 30 30 LEU N N 15 115.204 0.400 . 1 . . . . 90 LEU N . 7208 2 362 . 1 1 31 31 ILE H H 1 8.362 0.020 . 1 . . . . 91 ILE H . 7208 2 363 . 1 1 31 31 ILE HA H 1 3.685 0.020 . 1 . . . . 91 ILE HA . 7208 2 364 . 1 1 31 31 ILE HB H 1 1.920 0.020 . 1 . . . . 91 ILE HB . 7208 2 365 . 1 1 31 31 ILE HG12 H 1 1.044 0.020 . 1 . . . . 91 ILE HG12 . 7208 2 366 . 1 1 31 31 ILE HG13 H 1 1.044 0.020 . 1 . . . . 91 ILE HG13 . 7208 2 367 . 1 1 31 31 ILE HG21 H 1 0.847 0.020 . 1 . . . . 91 ILE HG2 . 7208 2 368 . 1 1 31 31 ILE HG22 H 1 0.847 0.020 . 1 . . . . 91 ILE HG2 . 7208 2 369 . 1 1 31 31 ILE HG23 H 1 0.847 0.020 . 1 . . . . 91 ILE HG2 . 7208 2 370 . 1 1 31 31 ILE HD11 H 1 0.759 0.020 . 1 . . . . 91 ILE HD1 . 7208 2 371 . 1 1 31 31 ILE HD12 H 1 0.759 0.020 . 1 . . . . 91 ILE HD1 . 7208 2 372 . 1 1 31 31 ILE HD13 H 1 0.759 0.020 . 1 . . . . 91 ILE HD1 . 7208 2 373 . 1 1 31 31 ILE C C 13 176.382 0.400 . 1 . . . . 91 ILE C . 7208 2 374 . 1 1 31 31 ILE CA C 13 65.464 0.400 . 1 . . . . 91 ILE CA . 7208 2 375 . 1 1 31 31 ILE CB C 13 37.942 0.400 . 1 . . . . 91 ILE CB . 7208 2 376 . 1 1 31 31 ILE CG2 C 13 17.648 0.400 . 1 . . . . 91 ILE CG2 . 7208 2 377 . 1 1 31 31 ILE CD1 C 13 13.940 0.400 . 1 . . . . 91 ILE CD1 . 7208 2 378 . 1 1 31 31 ILE N N 15 113.157 0.400 . 1 . . . . 91 ILE N . 7208 2 379 . 1 1 32 32 SER H H 1 8.271 0.020 . 1 . . . . 92 SER H . 7208 2 380 . 1 1 32 32 SER HA H 1 4.024 0.020 . 1 . . . . 92 SER HA . 7208 2 381 . 1 1 32 32 SER HB2 H 1 3.826 0.020 . 1 . . . . 92 SER HB2 . 7208 2 382 . 1 1 32 32 SER HB3 H 1 3.826 0.020 . 1 . . . . 92 SER HB3 . 7208 2 383 . 1 1 32 32 SER HG H 1 4.635 0.020 . 1 . . . . 92 SER HG . 7208 2 384 . 1 1 32 32 SER C C 13 174.626 0.400 . 1 . . . . 92 SER C . 7208 2 385 . 1 1 32 32 SER CA C 13 62.873 0.400 . 1 . . . . 92 SER CA . 7208 2 386 . 1 1 32 32 SER CB C 13 62.942 0.400 . 1 . . . . 92 SER CB . 7208 2 387 . 1 1 32 32 SER N N 15 110.355 0.400 . 1 . . . . 92 SER N . 7208 2 388 . 1 1 33 33 TYR H H 1 8.175 0.020 . 1 . . . . 93 TYR H . 7208 2 389 . 1 1 33 33 TYR HA H 1 4.209 0.020 . 1 . . . . 93 TYR HA . 7208 2 390 . 1 1 33 33 TYR HB2 H 1 3.090 0.020 . 1 . . . . 93 TYR HB2 . 7208 2 391 . 1 1 33 33 TYR HB3 H 1 3.090 0.020 . 1 . . . . 93 TYR HB3 . 7208 2 392 . 1 1 33 33 TYR HD1 H 1 7.048 0.020 . 1 . . . . 93 TYR HD1 . 7208 2 393 . 1 1 33 33 TYR HD2 H 1 7.048 0.020 . 1 . . . . 93 TYR HD2 . 7208 2 394 . 1 1 33 33 TYR HE1 H 1 6.758 0.020 . 1 . . . . 93 TYR HE1 . 7208 2 395 . 1 1 33 33 TYR C C 13 176.634 0.400 . 1 . . . . 93 TYR C . 7208 2 396 . 1 1 33 33 TYR CA C 13 61.153 0.400 . 1 . . . . 93 TYR CA . 7208 2 397 . 1 1 33 33 TYR CB C 13 39.079 0.400 . 1 . . . . 93 TYR CB . 7208 2 398 . 1 1 33 33 TYR N N 15 115.868 0.400 . 1 . . . . 93 TYR N . 7208 2 399 . 1 1 34 34 GLY H H 1 8.386 0.020 . 1 . . . . 94 GLY H . 7208 2 400 . 1 1 34 34 GLY HA2 H 1 3.793 0.020 . 2 . . . . 94 GLY HA2 . 7208 2 401 . 1 1 34 34 GLY HA3 H 1 3.669 0.020 . 2 . . . . 94 GLY HA3 . 7208 2 402 . 1 1 34 34 GLY C C 13 173.870 0.400 . 1 . . . . 94 GLY C . 7208 2 403 . 1 1 34 34 GLY CA C 13 46.944 0.400 . 1 . . . . 94 GLY CA . 7208 2 404 . 1 1 34 34 GLY N N 15 101.611 0.400 . 1 . . . . 94 GLY N . 7208 2 405 . 1 1 35 35 ILE H H 1 8.160 0.020 . 1 . . . . 95 ILE H . 7208 2 406 . 1 1 35 35 ILE HA H 1 4.009 0.020 . 1 . . . . 95 ILE HA . 7208 2 407 . 1 1 35 35 ILE HB H 1 2.053 0.020 . 1 . . . . 95 ILE HB . 7208 2 408 . 1 1 35 35 ILE HG12 H 1 1.324 0.020 . 1 . . . . 95 ILE HG12 . 7208 2 409 . 1 1 35 35 ILE HG13 H 1 1.658 0.020 . 1 . . . . 95 ILE HG13 . 7208 2 410 . 1 1 35 35 ILE HG21 H 1 0.953 0.020 . 1 . . . . 95 ILE HG2 . 7208 2 411 . 1 1 35 35 ILE HG22 H 1 0.953 0.020 . 1 . . . . 95 ILE HG2 . 7208 2 412 . 1 1 35 35 ILE HG23 H 1 0.953 0.020 . 1 . . . . 95 ILE HG2 . 7208 2 413 . 1 1 35 35 ILE HD11 H 1 0.833 0.020 . 1 . . . . 95 ILE HD1 . 7208 2 414 . 1 1 35 35 ILE HD12 H 1 0.833 0.020 . 1 . . . . 95 ILE HD1 . 7208 2 415 . 1 1 35 35 ILE HD13 H 1 0.833 0.020 . 1 . . . . 95 ILE HD1 . 7208 2 416 . 1 1 35 35 ILE C C 13 175.821 0.400 . 1 . . . . 95 ILE C . 7208 2 417 . 1 1 35 35 ILE CA C 13 63.238 0.400 . 1 . . . . 95 ILE CA . 7208 2 418 . 1 1 35 35 ILE CB C 13 37.899 0.400 . 1 . . . . 95 ILE CB . 7208 2 419 . 1 1 35 35 ILE CG1 C 13 28.207 0.400 . 1 . . . . 95 ILE CG1 . 7208 2 420 . 1 1 35 35 ILE CG2 C 13 17.934 0.400 . 1 . . . . 95 ILE CG2 . 7208 2 421 . 1 1 35 35 ILE CD1 C 13 14.052 0.400 . 1 . . . . 95 ILE CD1 . 7208 2 422 . 1 1 35 35 ILE N N 15 113.349 0.400 . 1 . . . . 95 ILE N . 7208 2 423 . 1 1 36 36 ARG H H 1 7.565 0.020 . 1 . . . . 96 ARG H . 7208 2 424 . 1 1 36 36 ARG HA H 1 4.225 0.020 . 1 . . . . 96 ARG HA . 7208 2 425 . 1 1 36 36 ARG HB2 H 1 1.858 0.020 . 1 . . . . 96 ARG HB2 . 7208 2 426 . 1 1 36 36 ARG HB3 H 1 1.978 0.020 . 1 . . . . 96 ARG HB3 . 7208 2 427 . 1 1 36 36 ARG HG2 H 1 1.730 0.020 . 2 . . . . 96 ARG HG2 . 7208 2 428 . 1 1 36 36 ARG HG3 H 1 1.683 0.020 . 2 . . . . 96 ARG HG3 . 7208 2 429 . 1 1 36 36 ARG HD2 H 1 3.191 0.020 . 1 . . . . 96 ARG HD2 . 7208 2 430 . 1 1 36 36 ARG HD3 H 1 3.191 0.020 . 1 . . . . 96 ARG HD3 . 7208 2 431 . 1 1 36 36 ARG HE H 1 7.350 0.020 . 1 . . . . 96 ARG HE . 7208 2 432 . 1 1 36 36 ARG HH11 H 1 6.820 0.020 . 1 . . . . 96 ARG HH11 . 7208 2 433 . 1 1 36 36 ARG HH12 H 1 6.820 0.020 . 1 . . . . 96 ARG HH12 . 7208 2 434 . 1 1 36 36 ARG C C 13 175.532 0.400 . 1 . . . . 96 ARG C . 7208 2 435 . 1 1 36 36 ARG CA C 13 56.986 0.400 . 1 . . . . 96 ARG CA . 7208 2 436 . 1 1 36 36 ARG CB C 13 30.181 0.400 . 1 . . . . 96 ARG CB . 7208 2 437 . 1 1 36 36 ARG CG C 13 27.637 0.400 . 1 . . . . 96 ARG CG . 7208 2 438 . 1 1 36 36 ARG CD C 13 43.552 0.400 . 1 . . . . 96 ARG CD . 7208 2 439 . 1 1 36 36 ARG N N 15 114.358 0.400 . 1 . . . . 96 ARG N . 7208 2 440 . 1 1 36 36 ARG NE N 15 80.739 0.400 . 1 . . . . 96 ARG NE . 7208 2 441 . 1 1 37 37 ARG H H 1 7.737 0.020 . 1 . . . . 97 ARG H . 7208 2 442 . 1 1 37 37 ARG HA H 1 4.341 0.020 . 1 . . . . 97 ARG HA . 7208 2 443 . 1 1 37 37 ARG HB2 H 1 1.721 0.020 . 1 . . . . 97 ARG HB2 . 7208 2 444 . 1 1 37 37 ARG HB3 H 1 1.895 0.020 . 1 . . . . 97 ARG HB3 . 7208 2 445 . 1 1 37 37 ARG HG2 H 1 1.557 0.020 . 1 . . . . 97 ARG HG2 . 7208 2 446 . 1 1 37 37 ARG HG3 H 1 1.557 0.020 . 1 . . . . 97 ARG HG3 . 7208 2 447 . 1 1 37 37 ARG HD2 H 1 3.059 0.020 . 1 . . . . 97 ARG HD2 . 7208 2 448 . 1 1 37 37 ARG HD3 H 1 3.059 0.020 . 1 . . . . 97 ARG HD3 . 7208 2 449 . 1 1 37 37 ARG HE H 1 7.324 0.020 . 1 . . . . 97 ARG HE . 7208 2 450 . 1 1 37 37 ARG HH11 H 1 6.679 0.020 . 1 . . . . 97 ARG HH11 . 7208 2 451 . 1 1 37 37 ARG HH12 H 1 6.679 0.020 . 1 . . . . 97 ARG HH12 . 7208 2 452 . 1 1 37 37 ARG CA C 13 55.340 0.400 . 1 . . . . 97 ARG CA . 7208 2 453 . 1 1 37 37 ARG CB C 13 30.579 0.400 . 1 . . . . 97 ARG CB . 7208 2 454 . 1 1 37 37 ARG CG C 13 26.872 0.400 . 1 . . . . 97 ARG CG . 7208 2 455 . 1 1 37 37 ARG CD C 13 43.146 0.400 . 1 . . . . 97 ARG CD . 7208 2 456 . 1 1 37 37 ARG N N 15 113.967 0.400 . 1 . . . . 97 ARG N . 7208 2 457 . 1 1 37 37 ARG NE N 15 80.691 0.400 . 1 . . . . 97 ARG NE . 7208 2 458 . 1 1 38 38 LEU H H 1 7.404 0.020 . 1 . . . . 98 LEU H . 7208 2 459 . 1 1 38 38 LEU HA H 1 4.181 0.020 . 1 . . . . 98 LEU HA . 7208 2 460 . 1 1 38 38 LEU HB2 H 1 1.713 0.020 . 1 . . . . 98 LEU HB2 . 7208 2 461 . 1 1 38 38 LEU HB3 H 1 1.603 0.020 . 1 . . . . 98 LEU HB3 . 7208 2 462 . 1 1 38 38 LEU HG H 1 1.579 0.020 . 1 . . . . 98 LEU HG . 7208 2 463 . 1 1 38 38 LEU HD11 H 1 0.873 0.020 . 2 . . . . 98 LEU HD1 . 7208 2 464 . 1 1 38 38 LEU HD12 H 1 0.873 0.020 . 2 . . . . 98 LEU HD1 . 7208 2 465 . 1 1 38 38 LEU HD13 H 1 0.873 0.020 . 2 . . . . 98 LEU HD1 . 7208 2 466 . 1 1 38 38 LEU CA C 13 56.092 0.400 . 1 . . . . 98 LEU CA . 7208 2 467 . 1 1 38 38 LEU CB C 13 43.162 0.400 . 1 . . . . 98 LEU CB . 7208 2 468 . 1 1 38 38 LEU CD1 C 13 23.733 0.400 . 1 . . . . 98 LEU CD1 . 7208 2 469 . 1 1 38 38 LEU N N 15 120.975 0.400 . 1 . . . . 98 LEU N . 7208 2 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_mic _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_mic _Coupling_constant_list.Entry_ID 7208 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $micelles _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 5 $mic_N15 isotropic 7208 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLN H H 1 . . 1 1 3 3 GLN HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 7208 1 2 3JHNHA . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 7208 1 3 3JHNHA . 1 1 5 5 ALA H H 1 . . 1 1 5 5 ALA HA H 1 . 6.7 . . 0.2 . . . . . . . . . . . 7208 1 4 3JHNHA . 1 1 6 6 HIS H H 1 . . 1 1 6 6 HIS HA H 1 . 6.8 . . 0.9 . . . . . . . . . . . 7208 1 5 3JHNHA . 1 1 7 7 HIS H H 1 . . 1 1 7 7 HIS HA H 1 . 8.2 . . 5.0 . . . . . . . . . . . 7208 1 6 3JHNHA . 1 1 8 8 PHE H H 1 . . 1 1 8 8 PHE HA H 1 . 8.7 . . 1.1 . . . . . . . . . . . 7208 1 7 3JHNHA . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER HA H 1 . 7.5 . . 2.6 . . . . . . . . . . . 7208 1 8 3JHNHA . 1 1 13 13 ILE H H 1 . . 1 1 13 13 ILE HA H 1 . 3.9 . . 4.0 . . . . . . . . . . . 7208 1 9 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 2.9 . . 3.0 . . . . . . . . . . . 7208 1 10 3JHNHA . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU HA H 1 . 4.0 . . 4.0 . . . . . . . . . . . 7208 1 11 3JHNHA . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE HA H 1 . 4.5 . . 3.5 . . . . . . . . . . . 7208 1 12 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 3.4 . . 1.9 . . . . . . . . . . . 7208 1 13 3JHNHA . 1 1 18 18 PHE H H 1 . . 1 1 18 18 PHE HA H 1 . 4.3 . . 0.7 . . . . . . . . . . . 7208 1 14 3JHNHA . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY HA H 1 . 4.3 . . 2.0 . . . . . . . . . . . 7208 1 15 3JHNHA . 1 1 19 19 GLY H H 1 . . 1 1 19 19 GLY HA H 1 . 5.5 . . 1.7 . . . . . . . . . . . 7208 1 16 3JHNHA . 1 1 20 20 VAL H H 1 . . 1 1 20 20 VAL HA H 1 . 3.8 . . 1.2 . . . . . . . . . . . 7208 1 17 3JHNHA . 1 1 21 21 MET H H 1 . . 1 1 21 21 MET HA H 1 . 4.4 . . 0.7 . . . . . . . . . . . 7208 1 18 3JHNHA . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA HA H 1 . 4.3 . . 0.4 . . . . . . . . . . . 7208 1 19 3JHNHA . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY HA H 1 . 4.9 . . 1.5 . . . . . . . . . . . 7208 1 20 3JHNHA . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY HA H 1 . 5.1 . . 1.4 . . . . . . . . . . . 7208 1 21 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 4.8 . . 0.9 . . . . . . . . . . . 7208 1 22 3JHNHA . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE HA H 1 . 4.2 . . 1.0 . . . . . . . . . . . 7208 1 23 3JHNHA . 1 1 27 27 THR H H 1 . . 1 1 27 27 THR HA H 1 . 5.3 . . 0.6 . . . . . . . . . . . 7208 1 24 3JHNHA . 1 1 28 28 ILE H H 1 . . 1 1 28 28 ILE HA H 1 . 4.7 . . 0.8 . . . . . . . . . . . 7208 1 25 3JHNHA . 1 1 29 29 LEU H H 1 . . 1 1 29 29 LEU HA H 1 . 3.6 . . 0.8 . . . . . . . . . . . 7208 1 26 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 4.0 . . 0.5 . . . . . . . . . . . 7208 1 27 3JHNHA . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE HA H 1 . 3.6 . . 0.8 . . . . . . . . . . . 7208 1 28 3JHNHA . 1 1 32 32 SER H H 1 . . 1 1 32 32 SER HA H 1 . 3.5 . . 0.7 . . . . . . . . . . . 7208 1 29 3JHNHA . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR HA H 1 . 5.5 . . 0.4 . . . . . . . . . . . 7208 1 30 3JHNHA . 1 1 35 35 ILE H H 1 . . 1 1 35 35 ILE HA H 1 . 5.2 . . 0.7 . . . . . . . . . . . 7208 1 31 3JHNHA . 1 1 36 36 ARG H H 1 . . 1 1 36 36 ARG HA H 1 . 5.3 . . 0.2 . . . . . . . . . . . 7208 1 32 3JHNHA . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG HA H 1 . 8.0 . . 0.1 . . . . . . . . . . . 7208 1 33 3JHNHA . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU HA H 1 . 6.5 . . 0.2 . . . . . . . . . . . 7208 1 34 3JNHB . 1 1 37 37 ARG N N 15 . . 1 1 37 37 ARG HB2 H 1 . -3.0 . . 0.5 . . . . . . . . . . . 7208 1 35 3JNHB . 1 1 37 37 ARG N N 15 . . 1 1 37 37 ARG HB3 H 1 . -1.6 . . 0.4 . . . . . . . . . . . 7208 1 36 3JNHB . 1 1 36 36 ARG N N 15 . . 1 1 36 36 ARG HB2 H 1 . -3.3 . . 0.8 . . . . . . . . . . . 7208 1 37 3JNHB . 1 1 36 36 ARG N N 15 . . 1 1 36 36 ARG HB3 H 1 . -2.4 . . 0.8 . . . . . . . . . . . 7208 1 38 3JNHB . 1 1 38 38 LEU N N 15 . . 1 1 38 38 LEU HB3 H 1 . -4.0 . . 0.8 . . . . . . . . . . . 7208 1 39 3JNHB . 1 1 38 38 LEU N N 15 . . 1 1 38 38 LEU HB2 H 1 . -1.2 . . 0.8 . . . . . . . . . . . 7208 1 40 3JNHB . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU HB3 H 1 . -2.8 . . 0.7 . . . . . . . . . . . 7208 1 41 3JNHB . 1 1 29 29 LEU N N 15 . . 1 1 29 29 LEU HB2 H 1 . -1.6 . . 1.2 . . . . . . . . . . . 7208 1 42 3JNHB . 1 1 21 21 MET N N 15 . . 1 1 21 21 MET HB2 H 1 . -2.7 . . 0.8 . . . . . . . . . . . 7208 1 43 3JNHB . 1 1 21 21 MET N N 15 . . 1 1 21 21 MET HB3 H 1 . -0.8 . . 0.8 . . . . . . . . . . . 7208 1 44 3JNHB . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE HB H 1 . -1.7 . . 0.9 . . . . . . . . . . . 7208 1 45 3JNHB . 1 1 35 35 ILE N N 15 . . 1 1 35 35 ILE HB H 1 . -2.0 . . 0.2 . . . . . . . . . . . 7208 1 46 3JNHB . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL HB H 1 . -0.7 . . 1.2 . . . . . . . . . . . 7208 1 47 3JNHB . 1 1 24 24 VAL N N 15 . . 1 1 24 24 VAL HB H 1 . -0.8 . . 1.1 . . . . . . . . . . . 7208 1 48 3JNHB . 1 1 25 25 ILE N N 15 . . 1 1 25 25 ILE HB H 1 . -1.6 . . 0.8 . . . . . . . . . . . 7208 1 49 3JNHB . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE HB H 1 . -0.6 . . 0.9 . . . . . . . . . . . 7208 1 50 3JNHB . 1 1 30 30 LEU N N 15 . . 1 1 30 30 LEU HB3 H 1 . -2.5 . . 0.6 . . . . . . . . . . . 7208 1 51 3JNHB . 1 1 30 30 LEU N N 15 . . 1 1 30 30 LEU HB2 H 1 . -0.0 . . 1.2 . . . . . . . . . . . 7208 1 52 3JNHB . 1 1 31 31 ILE N N 15 . . 1 1 31 31 ILE HB H 1 . -1.0 . . 1.0 . . . . . . . . . . . 7208 1 53 3JNHB . 1 1 33 33 TYR N N 15 . . 1 1 33 33 TYR HB3 H 1 . -0.7 . . 0.9 . . . . . . . . . . . 7208 1 54 3JNHB . 1 1 33 33 TYR N N 15 . . 1 1 33 33 TYR HB2 H 1 . -1.8 . . 0.7 . . . . . . . . . . . 7208 1 stop_ save_ save_J_coupling_list_bic _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_bic _Coupling_constant_list.Entry_ID 7208 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $bicelles _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 5 $bic_15N isotropic 7208 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLN H H 1 . . 1 1 3 3 GLN HA H 1 . 7.22 . . 0.01 . . . . . . . . . . . 7208 2 2 3JHNHA . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU HA H 1 . 6.53 . . 0.01 . . . . . . . . . . . 7208 2 3 3JHNHA . 1 1 5 5 ALA H H 1 . . 1 1 5 5 ALA HA H 1 . 6.21 . . 0.02 . . . . . . . . . . . 7208 2 4 3JHNHA . 1 1 6 6 HIS H H 1 . . 1 1 6 6 HIS HA H 1 . 6.18 . . 0.07 . . . . . . . . . . . 7208 2 5 3JHNHA . 1 1 7 7 HIS H H 1 . . 1 1 7 7 HIS HA H 1 . 3.40 . . 0.48 . . . . . . . . . . . 7208 2 6 3JHNHA . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER HA H 1 . 2.50 . . 3.81 . . . . . . . . . . . 7208 2 7 3JHNHA . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU HA H 1 . 7.57 . . 3.81 . . . . . . . . . . . 7208 2 8 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 2.32 . . 2.98 . . . . . . . . . . . 7208 2 9 3JHNHA . 1 1 13 13 ILE H H 1 . . 1 1 13 13 ILE HA H 1 . 3.33 . . 0.89 . . . . . . . . . . . 7208 2 10 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 2.84 . . 0.44 . . . . . . . . . . . 7208 2 11 3JHNHA . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU HA H 1 . 1.82 . . 1.90 . . . . . . . . . . . 7208 2 12 3JHNHA . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE HA H 1 . 1.81 . . 1.89 . . . . . . . . . . . 7208 2 13 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 3.00 . . 1.37 . . . . . . . . . . . 7208 2 14 3JHNHA . 1 1 18 18 PHE H H 1 . . 1 1 18 18 PHE HA H 1 . 3.99 . . 0.36 . . . . . . . . . . . 7208 2 15 3JHNHA . 1 1 20 20 VAL H H 1 . . 1 1 20 20 VAL HA H 1 . 4.17 . . 0.93 . . . . . . . . . . . 7208 2 16 3JHNHA . 1 1 21 21 MET H H 1 . . 1 1 21 21 MET HA H 1 . 3.67 . . 0.53 . . . . . . . . . . . 7208 2 17 3JHNHA . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA HA H 1 . 3.82 . . 0.33 . . . . . . . . . . . 7208 2 18 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 3.33 . . 0.82 . . . . . . . . . . . 7208 2 19 3JHNHA . 1 1 25 25 ILE H H 1 . . 1 1 25 25 ILE HA H 1 . 1.26 . . 1.90 . . . . . . . . . . . 7208 2 20 3JHNHA . 1 1 27 27 THR H H 1 . . 1 1 27 27 THR HA H 1 . 2.79 . . 1.04 . . . . . . . . . . . 7208 2 21 3JHNHA . 1 1 29 29 LEU H H 1 . . 1 1 29 29 LEU HA H 1 . 2.89 . . 0.60 . . . . . . . . . . . 7208 2 22 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 2.50 . . 0.59 . . . . . . . . . . . 7208 2 23 3JHNHA . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE HA H 1 . 4.51 . . 0.38 . . . . . . . . . . . 7208 2 24 3JHNHA . 1 1 32 32 SER H H 1 . . 1 1 32 32 SER HA H 1 . 3.25 . . 0.20 . . . . . . . . . . . 7208 2 25 3JHNHA . 1 1 34 34 GLY H H 1 . . 1 1 34 34 GLY HA1 H 1 . 2.80 . . 0.28 . . . . . . . . . . . 7208 2 26 3JHNHA . 1 1 34 34 GLY H H 1 . . 1 1 34 34 GLY HA2 H 1 . 4.55 . . 0.17 . . . . . . . . . . . 7208 2 27 3JHNHA . 1 1 35 35 ILE H H 1 . . 1 1 35 35 ILE HA H 1 . 4.57 . . 0.20 . . . . . . . . . . . 7208 2 28 3JHNHA . 1 1 36 36 ARG H H 1 . . 1 1 36 36 ARG HA H 1 . 5.93 . . 0.10 . . . . . . . . . . . 7208 2 29 3JHNHA . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG HA H 1 . 7.57 . . 0.08 . . . . . . . . . . . 7208 2 30 3JHNHA . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU HA H 1 . 6.93 . . 0.07 . . . . . . . . . . . 7208 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_bic _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_bic _Heteronucl_T1_list.Entry_ID 7208 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $bicelles _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 5 $bic_15N isotropic 7208 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLN N N 15 7.25000e-01 2.45500e-02 . . . . . 7208 1 2 . 1 1 4 4 LEU N N 15 7.53900e-01 1.81900e-02 . . . . . 7208 1 3 . 1 1 5 5 ALA N N 15 7.40000e-01 2.19100e-02 . . . . . 7208 1 4 . 1 1 6 6 HIS N N 15 7.29900e-01 5.73300e-02 . . . . . 7208 1 5 . 1 1 7 7 HIS N N 15 7.44900e-01 6.30100e-02 . . . . . 7208 1 6 . 1 1 8 8 PHE N N 15 8.46100e-01 3.68800e-02 . . . . . 7208 1 7 . 1 1 9 9 SER N N 15 9.56900e-01 5.08900e-02 . . . . . 7208 1 8 . 1 1 10 10 GLU N N 15 1.22300e+00 8.72000e-02 . . . . . 7208 1 9 . 1 1 12 12 GLU N N 15 1.31500e+00 2.19700e-01 . . . . . 7208 1 10 . 1 1 13 13 ILE N N 15 1.23000e+00 4.46300e-02 . . . . . 7208 1 11 . 1 1 14 14 THR N N 15 1.22100e+00 5.09100e-02 . . . . . 7208 1 12 . 1 1 15 15 LEU N N 15 1.17700e+00 3.94000e-02 . . . . . 7208 1 13 . 1 1 16 16 ILE N N 15 1.29400e+00 4.95000e-02 . . . . . 7208 1 14 . 1 1 17 17 ILE N N 15 1.29000e+00 7.49400e-02 . . . . . 7208 1 15 . 1 1 18 18 PHE N N 15 1.19600e+00 4.96100e-02 . . . . . 7208 1 16 . 1 1 20 20 VAL N N 15 1.19600e+00 3.56100e-02 . . . . . 7208 1 17 . 1 1 21 21 MET N N 15 1.22900e+00 4.73900e-02 . . . . . 7208 1 18 . 1 1 22 22 ALA N N 15 1.22400e+00 6.14400e-02 . . . . . 7208 1 19 . 1 1 23 23 GLY N N 15 1.29800e+00 5.58300e-02 . . . . . 7208 1 20 . 1 1 24 24 VAL N N 15 1.24400e+00 2.97100e-02 . . . . . 7208 1 21 . 1 1 25 25 ILE N N 15 1.26700e+00 3.36900e-02 . . . . . 7208 1 22 . 1 1 26 26 GLY N N 15 1.27900e+00 6.15500e-02 . . . . . 7208 1 23 . 1 1 27 27 THR N N 15 1.22300e+00 4.18400e-02 . . . . . 7208 1 24 . 1 1 29 29 LEU N N 15 1.18600e+00 3.29500e-02 . . . . . 7208 1 25 . 1 1 30 30 LEU N N 15 1.17300e+00 3.60400e-02 . . . . . 7208 1 26 . 1 1 31 31 ILE N N 15 1.23500e+00 2.84700e-02 . . . . . 7208 1 27 . 1 1 32 32 SER N N 15 1.23100e+00 4.02300e-02 . . . . . 7208 1 28 . 1 1 35 35 ILE N N 15 1.05200e+00 1.74500e-02 . . . . . 7208 1 29 . 1 1 36 36 ARG N N 15 9.10800e-01 1.14900e-02 . . . . . 7208 1 30 . 1 1 37 37 ARG N N 15 8.84800e-01 7.41000e-03 . . . . . 7208 1 31 . 1 1 38 38 LEU N N 15 8.26300e-01 1.03200e-02 . . . . . 7208 1 stop_ save_ save_T1_list_mic _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_mic _Heteronucl_T1_list.Entry_ID 7208 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $micelles _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 5 $mic_N15 isotropic 7208 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLN N N 15 6.20800e-01 3.80500e-02 . . . . . 7208 2 2 . 1 1 4 4 LEU N N 15 6.77800e-01 3.26500e-02 . . . . . 7208 2 3 . 1 1 5 5 ALA N N 15 6.48900e-01 4.11500e-02 . . . . . 7208 2 4 . 1 1 6 6 HIS N N 15 6.67800e-01 5.73200e-02 . . . . . 7208 2 5 . 1 1 7 7 HIS N N 15 5.07900e-01 7.04500e-02 . . . . . 7208 2 6 . 1 1 8 8 PHE N N 15 8.14400e-01 5.57100e-02 . . . . . 7208 2 7 . 1 1 9 9 SER N N 15 9.27100e-01 8.21500e-02 . . . . . 7208 2 8 . 1 1 13 13 ILE N N 15 1.02800e+00 5.77800e-02 . . . . . 7208 2 9 . 1 1 14 14 THR N N 15 9.55100e-01 4.08700e-02 . . . . . 7208 2 10 . 1 1 15 15 LEU N N 15 1.07200e+00 6.19100e-02 . . . . . 7208 2 11 . 1 1 16 16 ILE N N 15 1.05200e+00 5.02400e-02 . . . . . 7208 2 12 . 1 1 17 17 ILE N N 15 9.96300e-01 2.22700e-02 . . . . . 7208 2 13 . 1 1 18 18 PHE N N 15 9.85900e-01 2.56400e-02 . . . . . 7208 2 14 . 1 1 19 19 GLY N N 15 1.01300e+00 1.59400e-02 . . . . . 7208 2 15 . 1 1 20 20 VAL N N 15 1.05300e+00 2.05600e-02 . . . . . 7208 2 16 . 1 1 21 21 MET N N 15 1.07300e+00 3.70900e-02 . . . . . 7208 2 17 . 1 1 22 22 ALA N N 15 1.03400e+00 1.87400e-02 . . . . . 7208 2 18 . 1 1 23 23 GLY N N 15 1.02900e+00 2.29800e-02 . . . . . 7208 2 19 . 1 1 24 24 VAL N N 15 1.04100e+00 3.46600e-02 . . . . . 7208 2 20 . 1 1 25 25 ILE N N 15 1.02400e+00 3.09900e-02 . . . . . 7208 2 21 . 1 1 26 26 GLY N N 15 1.02400e+00 1.87200e-02 . . . . . 7208 2 22 . 1 1 27 27 THR N N 15 9.59500e-01 1.69800e-02 . . . . . 7208 2 23 . 1 1 28 28 ILE N N 15 1.04100e+00 2.38600e-02 . . . . . 7208 2 24 . 1 1 29 29 LEU N N 15 9.66000e-01 2.01800e-02 . . . . . 7208 2 25 . 1 1 30 30 LEU N N 15 9.74100e-01 1.87300e-02 . . . . . 7208 2 26 . 1 1 31 31 ILE N N 15 9.90200e-01 1.59800e-02 . . . . . 7208 2 27 . 1 1 32 32 SER N N 15 1.01800e+00 2.65700e-02 . . . . . 7208 2 28 . 1 1 33 33 TYR N N 15 9.86300e-01 3.77100e-02 . . . . . 7208 2 29 . 1 1 34 34 GLY N N 15 9.45100e-01 2.03900e-02 . . . . . 7208 2 30 . 1 1 35 35 ILE N N 15 9.30900e-01 2.03900e-02 . . . . . 7208 2 31 . 1 1 36 36 ARG N N 15 8.68000e-01 6.12100e-03 . . . . . 7208 2 32 . 1 1 37 37 ARG N N 15 8.49200e-01 1.30200e-02 . . . . . 7208 2 33 . 1 1 38 38 LEU N N 15 8.17500e-01 1.05400e-02 . . . . . 7208 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_bic _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_bic _Heteronucl_T2_list.Entry_ID 7208 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $bicelles _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 5 $bic_15N isotropic 7208 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 3.00300e-01 3.10600e-03 . . . . . . . 7208 1 2 . 1 1 4 4 LEU N N 15 1.98400e-01 1.13600e-03 . . . . . . . 7208 1 3 . 1 1 5 5 ALA N N 15 1.95700e-01 1.07300e-03 . . . . . . . 7208 1 4 . 1 1 6 6 HIS N N 15 1.34500e-01 2.19100e-03 . . . . . . . 7208 1 5 . 1 1 7 7 HIS N N 15 9.31600e-02 2.32900e-03 . . . . . . . 7208 1 6 . 1 1 8 8 PHE N N 15 8.08100e-02 2.21300e-03 . . . . . . . 7208 1 7 . 1 1 9 9 SER N N 15 6.28600e-02 3.89000e-03 . . . . . . . 7208 1 8 . 1 1 10 10 GLU N N 15 5.00100e-02 2.01400e-03 . . . . . . . 7208 1 9 . 1 1 12 12 GLU N N 15 3.64100e-02 1.29800e-02 . . . . . . . 7208 1 10 . 1 1 13 13 ILE N N 15 5.45700e-02 8.67600e-04 . . . . . . . 7208 1 11 . 1 1 14 14 THR N N 15 4.91000e-02 1.86600e-03 . . . . . . . 7208 1 12 . 1 1 15 15 LEU N N 15 4.38500e-02 3.14500e-03 . . . . . . . 7208 1 13 . 1 1 16 16 ILE N N 15 4.97900e-02 2.09500e-03 . . . . . . . 7208 1 14 . 1 1 17 17 ILE N N 15 4.29200e-02 2.30300e-03 . . . . . . . 7208 1 15 . 1 1 18 18 PHE N N 15 4.36700e-02 1.62000e-03 . . . . . . . 7208 1 16 . 1 1 20 20 VAL N N 15 4.54800e-02 3.24700e-03 . . . . . . . 7208 1 17 . 1 1 21 21 MET N N 15 4.66700e-02 1.77700e-03 . . . . . . . 7208 1 18 . 1 1 22 22 ALA N N 15 6.62900e-02 3.38400e-03 . . . . . . . 7208 1 19 . 1 1 23 23 GLY N N 15 4.81400e-02 2.92300e-03 . . . . . . . 7208 1 20 . 1 1 24 24 VAL N N 15 4.47300e-02 2.14300e-03 . . . . . . . 7208 1 21 . 1 1 25 25 ILE N N 15 4.79700e-02 1.15600e-03 . . . . . . . 7208 1 22 . 1 1 26 26 GLY N N 15 4.43300e-02 2.43000e-03 . . . . . . . 7208 1 23 . 1 1 27 27 THR N N 15 5.17900e-02 2.97800e-03 . . . . . . . 7208 1 24 . 1 1 29 29 LEU N N 15 5.14000e-02 1.90600e-03 . . . . . . . 7208 1 25 . 1 1 30 30 LEU N N 15 5.86400e-02 2.88400e-03 . . . . . . . 7208 1 26 . 1 1 31 31 ILE N N 15 4.80600e-02 9.92500e-04 . . . . . . . 7208 1 27 . 1 1 32 32 SER N N 15 4.91200e-02 6.40100e-04 . . . . . . . 7208 1 28 . 1 1 35 35 ILE N N 15 5.60400e-02 7.19500e-04 . . . . . . . 7208 1 29 . 1 1 36 36 ARG N N 15 5.82400e-02 1.64400e-03 . . . . . . . 7208 1 30 . 1 1 37 37 ARG N N 15 7.26400e-02 9.66500e-04 . . . . . . . 7208 1 31 . 1 1 38 38 LEU N N 15 9.12100e-02 1.19800e-03 . . . . . . . 7208 1 stop_ save_ save_T2_list_mic _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_mic _Heteronucl_T2_list.Entry_ID 7208 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $micelles _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 5 $mic_N15 isotropic 7208 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 2.09100e-01 5.33600e-03 . . . . . . . 7208 2 2 . 1 1 4 4 LEU N N 15 1.72000e-01 3.62500e-03 . . . . . . . 7208 2 3 . 1 1 5 5 ALA N N 15 1.05600e-01 1.49200e-03 . . . . . . . 7208 2 4 . 1 1 6 6 HIS N N 15 1.24400e-01 1.06100e-02 . . . . . . . 7208 2 5 . 1 1 7 7 HIS N N 15 8.04000e-02 2.16400e-02 . . . . . . . 7208 2 6 . 1 1 8 8 PHE N N 15 5.30900e-02 4.26800e-03 . . . . . . . 7208 2 7 . 1 1 9 9 SER N N 15 4.45900e-02 4.77900e-03 . . . . . . . 7208 2 8 . 1 1 13 13 ILE N N 15 5.47000e-02 7.55000e-03 . . . . . . . 7208 2 9 . 1 1 14 14 THR N N 15 5.83500e-02 5.45700e-03 . . . . . . . 7208 2 10 . 1 1 15 15 LEU N N 15 5.85500e-02 4.84300e-03 . . . . . . . 7208 2 11 . 1 1 16 16 ILE N N 15 5.46700e-02 4.21500e-03 . . . . . . . 7208 2 12 . 1 1 17 17 ILE N N 15 5.71200e-02 2.88300e-03 . . . . . . . 7208 2 13 . 1 1 18 18 PHE N N 15 6.24100e-02 2.22100e-03 . . . . . . . 7208 2 14 . 1 1 19 19 GLY N N 15 5.72800e-02 3.01700e-03 . . . . . . . 7208 2 15 . 1 1 20 20 VAL N N 15 6.13600e-02 2.29600e-03 . . . . . . . 7208 2 16 . 1 1 21 21 MET N N 15 5.54200e-02 2.07200e-03 . . . . . . . 7208 2 17 . 1 1 22 22 ALA N N 15 5.74400e-02 2.24000e-03 . . . . . . . 7208 2 18 . 1 1 23 23 GLY N N 15 5.87300e-02 1.07600e-03 . . . . . . . 7208 2 19 . 1 1 24 24 VAL N N 15 6.96300e-02 3.42500e-03 . . . . . . . 7208 2 20 . 1 1 25 25 ILE N N 15 5.79300e-02 2.75000e-03 . . . . . . . 7208 2 21 . 1 1 26 26 GLY N N 15 5.82800e-02 1.05100e-03 . . . . . . . 7208 2 22 . 1 1 27 27 THR N N 15 5.74400e-02 3.28300e-03 . . . . . . . 7208 2 23 . 1 1 28 28 ILE N N 15 6.10000e-02 2.30400e-03 . . . . . . . 7208 2 24 . 1 1 29 29 LEU N N 15 6.03200e-02 1.50500e-03 . . . . . . . 7208 2 25 . 1 1 30 30 LEU N N 15 6.41600e-02 2.73200e-03 . . . . . . . 7208 2 26 . 1 1 31 31 ILE N N 15 6.27100e-02 9.18900e-04 . . . . . . . 7208 2 27 . 1 1 32 32 SER N N 15 5.70300e-02 1.54400e-03 . . . . . . . 7208 2 28 . 1 1 33 33 TYR N N 15 6.30700e-02 2.39700e-03 . . . . . . . 7208 2 29 . 1 1 34 34 GLY N N 15 6.46100e-02 2.45300e-03 . . . . . . . 7208 2 30 . 1 1 35 35 ILE N N 15 6.31600e-02 5.56200e-04 . . . . . . . 7208 2 31 . 1 1 36 36 ARG N N 15 6.78400e-02 1.69100e-03 . . . . . . . 7208 2 32 . 1 1 37 37 ARG N N 15 8.38800e-02 2.35100e-03 . . . . . . . 7208 2 33 . 1 1 38 38 LEU N N 15 1.06700e-01 3.38500e-03 . . . . . . . 7208 2 stop_ save_