data_2395 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2395 _Entry.Title ; Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 1H NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Paul Gooley . R. . 2395 2 Neil MacKenzie . E. . 2395 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2395 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 241 2395 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 4 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2395 3 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2395 2 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 2395 1 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2395 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2395 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gooley, Paul R., MacKenzie, Neil E., "Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 1H NMR Spectroscopy," Biochemistry 27 (11), 4032-4040 (1988). ; _Citation.Title ; Location of an alpha-Helix in Fragment 96-133 from Bovine Somatotropin by 1H NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 11 _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 4032 _Citation.Page_last 4040 _Citation.Year 1988 _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 Paul Gooley . R. . 2395 1 2 Neil MacKenzie . E. . 2395 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_somatotropin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_somatotropin _Assembly.Entry_ID 2395 _Assembly.ID 1 _Assembly.Name somatotropin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 somatotropin 1 $somatotropin . . . . . . . . . 2395 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID somatotropin system 2395 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_somatotropin _Entity.Sf_category entity _Entity.Sf_framecode somatotropin _Entity.Entry_ID 2395 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name somatotropin _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 ; XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXVFTNS LVFGTSDRVYEKLKDLEEGI LALMRELEDGTPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID somatotropin common 2395 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 . X . 2395 1 2 . X . 2395 1 3 . X . 2395 1 4 . X . 2395 1 5 . X . 2395 1 6 . X . 2395 1 7 . X . 2395 1 8 . X . 2395 1 9 . X . 2395 1 10 . X . 2395 1 11 . X . 2395 1 12 . X . 2395 1 13 . X . 2395 1 14 . X . 2395 1 15 . X . 2395 1 16 . X . 2395 1 17 . X . 2395 1 18 . X . 2395 1 19 . X . 2395 1 20 . X . 2395 1 21 . X . 2395 1 22 . X . 2395 1 23 . X . 2395 1 24 . X . 2395 1 25 . X . 2395 1 26 . X . 2395 1 27 . X . 2395 1 28 . X . 2395 1 29 . X . 2395 1 30 . X . 2395 1 31 . X . 2395 1 32 . X . 2395 1 33 . X . 2395 1 34 . X . 2395 1 35 . X . 2395 1 36 . X . 2395 1 37 . X . 2395 1 38 . X . 2395 1 39 . X . 2395 1 40 . X . 2395 1 41 . X . 2395 1 42 . X . 2395 1 43 . X . 2395 1 44 . X . 2395 1 45 . X . 2395 1 46 . X . 2395 1 47 . X . 2395 1 48 . X . 2395 1 49 . X . 2395 1 50 . X . 2395 1 51 . X . 2395 1 52 . X . 2395 1 53 . X . 2395 1 54 . X . 2395 1 55 . X . 2395 1 56 . X . 2395 1 57 . X . 2395 1 58 . X . 2395 1 59 . X . 2395 1 60 . X . 2395 1 61 . X . 2395 1 62 . X . 2395 1 63 . X . 2395 1 64 . X . 2395 1 65 . X . 2395 1 66 . X . 2395 1 67 . X . 2395 1 68 . X . 2395 1 69 . X . 2395 1 70 . X . 2395 1 71 . X . 2395 1 72 . X . 2395 1 73 . X . 2395 1 74 . X . 2395 1 75 . X . 2395 1 76 . X . 2395 1 77 . X . 2395 1 78 . X . 2395 1 79 . X . 2395 1 80 . X . 2395 1 81 . X . 2395 1 82 . X . 2395 1 83 . X . 2395 1 84 . X . 2395 1 85 . X . 2395 1 86 . X . 2395 1 87 . X . 2395 1 88 . X . 2395 1 89 . X . 2395 1 90 . X . 2395 1 91 . X . 2395 1 92 . X . 2395 1 93 . X . 2395 1 94 . X . 2395 1 95 . X . 2395 1 96 . VAL . 2395 1 97 . PHE . 2395 1 98 . THR . 2395 1 99 . ASN . 2395 1 100 . SER . 2395 1 101 . LEU . 2395 1 102 . VAL . 2395 1 103 . PHE . 2395 1 104 . GLY . 2395 1 105 . THR . 2395 1 106 . SER . 2395 1 107 . ASP . 2395 1 108 . ARG . 2395 1 109 . VAL . 2395 1 110 . TYR . 2395 1 111 . GLU . 2395 1 112 . LYS . 2395 1 113 . LEU . 2395 1 114 . LYS . 2395 1 115 . ASP . 2395 1 116 . LEU . 2395 1 117 . GLU . 2395 1 118 . GLU . 2395 1 119 . GLY . 2395 1 120 . ILE . 2395 1 121 . LEU . 2395 1 122 . ALA . 2395 1 123 . LEU . 2395 1 124 . MET . 2395 1 125 . ARG . 2395 1 126 . GLU . 2395 1 127 . LEU . 2395 1 128 . GLU . 2395 1 129 . ASP . 2395 1 130 . GLY . 2395 1 131 . THR . 2395 1 132 . PRO . 2395 1 133 . ARG . 2395 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 . X 1 1 2395 1 . X 2 2 2395 1 . X 3 3 2395 1 . X 4 4 2395 1 . X 5 5 2395 1 . X 6 6 2395 1 . X 7 7 2395 1 . X 8 8 2395 1 . X 9 9 2395 1 . X 10 10 2395 1 . X 11 11 2395 1 . X 12 12 2395 1 . X 13 13 2395 1 . X 14 14 2395 1 . X 15 15 2395 1 . X 16 16 2395 1 . X 17 17 2395 1 . X 18 18 2395 1 . X 19 19 2395 1 . X 20 20 2395 1 . X 21 21 2395 1 . X 22 22 2395 1 . X 23 23 2395 1 . X 24 24 2395 1 . X 25 25 2395 1 . X 26 26 2395 1 . X 27 27 2395 1 . X 28 28 2395 1 . X 29 29 2395 1 . X 30 30 2395 1 . X 31 31 2395 1 . X 32 32 2395 1 . X 33 33 2395 1 . X 34 34 2395 1 . X 35 35 2395 1 . X 36 36 2395 1 . X 37 37 2395 1 . X 38 38 2395 1 . X 39 39 2395 1 . X 40 40 2395 1 . X 41 41 2395 1 . X 42 42 2395 1 . X 43 43 2395 1 . X 44 44 2395 1 . X 45 45 2395 1 . X 46 46 2395 1 . X 47 47 2395 1 . X 48 48 2395 1 . X 49 49 2395 1 . X 50 50 2395 1 . X 51 51 2395 1 . X 52 52 2395 1 . X 53 53 2395 1 . X 54 54 2395 1 . X 55 55 2395 1 . X 56 56 2395 1 . X 57 57 2395 1 . X 58 58 2395 1 . X 59 59 2395 1 . X 60 60 2395 1 . X 61 61 2395 1 . X 62 62 2395 1 . X 63 63 2395 1 . X 64 64 2395 1 . X 65 65 2395 1 . X 66 66 2395 1 . X 67 67 2395 1 . X 68 68 2395 1 . X 69 69 2395 1 . X 70 70 2395 1 . X 71 71 2395 1 . X 72 72 2395 1 . X 73 73 2395 1 . X 74 74 2395 1 . X 75 75 2395 1 . X 76 76 2395 1 . X 77 77 2395 1 . X 78 78 2395 1 . X 79 79 2395 1 . X 80 80 2395 1 . X 81 81 2395 1 . X 82 82 2395 1 . X 83 83 2395 1 . X 84 84 2395 1 . X 85 85 2395 1 . X 86 86 2395 1 . X 87 87 2395 1 . X 88 88 2395 1 . X 89 89 2395 1 . X 90 90 2395 1 . X 91 91 2395 1 . X 92 92 2395 1 . X 93 93 2395 1 . X 94 94 2395 1 . X 95 95 2395 1 . VAL 96 96 2395 1 . PHE 97 97 2395 1 . THR 98 98 2395 1 . ASN 99 99 2395 1 . SER 100 100 2395 1 . LEU 101 101 2395 1 . VAL 102 102 2395 1 . PHE 103 103 2395 1 . GLY 104 104 2395 1 . THR 105 105 2395 1 . SER 106 106 2395 1 . ASP 107 107 2395 1 . ARG 108 108 2395 1 . VAL 109 109 2395 1 . TYR 110 110 2395 1 . GLU 111 111 2395 1 . LYS 112 112 2395 1 . LEU 113 113 2395 1 . LYS 114 114 2395 1 . ASP 115 115 2395 1 . LEU 116 116 2395 1 . GLU 117 117 2395 1 . GLU 118 118 2395 1 . GLY 119 119 2395 1 . ILE 120 120 2395 1 . LEU 121 121 2395 1 . ALA 122 122 2395 1 . LEU 123 123 2395 1 . MET 124 124 2395 1 . ARG 125 125 2395 1 . GLU 126 126 2395 1 . LEU 127 127 2395 1 . GLU 128 128 2395 1 . ASP 129 129 2395 1 . GLY 130 130 2395 1 . THR 131 131 2395 1 . PRO 132 132 2395 1 . ARG 133 133 2395 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 2395 _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 $somatotropin . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2395 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 2395 _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 $somatotropin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2395 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2395 _Sample.ID 1 _Sample.Type solution _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2395 _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 3.6 . na 2395 1 temperature 308 . K 2395 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2395 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2395 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2395 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 2395 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2395 _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 H . TSP . . . . . ppm 0 . . . . . . . . . . . . 2395 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2395 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 . . 1 $sample_one . 2395 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 96 96 VAL HA H 1 3.81 . . 1 . . . . . . . . 2395 1 2 . 1 1 96 96 VAL HB H 1 2.21 . . 1 . . . . . . . . 2395 1 3 . 1 1 96 96 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 2395 1 4 . 1 1 96 96 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 2395 1 5 . 1 1 96 96 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 2395 1 6 . 1 1 96 96 VAL HG21 H 1 .99 . . 2 . . . . . . . . 2395 1 7 . 1 1 96 96 VAL HG22 H 1 .99 . . 2 . . . . . . . . 2395 1 8 . 1 1 96 96 VAL HG23 H 1 .99 . . 2 . . . . . . . . 2395 1 9 . 1 1 97 97 PHE H H 1 8.53 . . 1 . . . . . . . . 2395 1 10 . 1 1 97 97 PHE HA H 1 4.79 . . 1 . . . . . . . . 2395 1 11 . 1 1 97 97 PHE HB2 H 1 3.19 . . 2 . . . . . . . . 2395 1 12 . 1 1 97 97 PHE HB3 H 1 3.11 . . 2 . . . . . . . . 2395 1 13 . 1 1 98 98 THR H H 1 7.86 . . 1 . . . . . . . . 2395 1 14 . 1 1 98 98 THR HA H 1 4.27 . . 1 . . . . . . . . 2395 1 15 . 1 1 98 98 THR HB H 1 4.2 . . 1 . . . . . . . . 2395 1 16 . 1 1 98 98 THR HG21 H 1 1.15 . . 1 . . . . . . . . 2395 1 17 . 1 1 98 98 THR HG22 H 1 1.15 . . 1 . . . . . . . . 2395 1 18 . 1 1 98 98 THR HG23 H 1 1.15 . . 1 . . . . . . . . 2395 1 19 . 1 1 99 99 ASN H H 1 8.08 . . 1 . . . . . . . . 2395 1 20 . 1 1 99 99 ASN HA H 1 4.65 . . 1 . . . . . . . . 2395 1 21 . 1 1 99 99 ASN HB2 H 1 2.86 . . 2 . . . . . . . . 2395 1 22 . 1 1 99 99 ASN HB3 H 1 2.78 . . 2 . . . . . . . . 2395 1 23 . 1 1 99 99 ASN HD21 H 1 7.44 . . 2 . . . . . . . . 2395 1 24 . 1 1 99 99 ASN HD22 H 1 6.68 . . 2 . . . . . . . . 2395 1 25 . 1 1 100 100 SER H H 1 8.12 . . 1 . . . . . . . . 2395 1 26 . 1 1 100 100 SER HA H 1 4.37 . . 1 . . . . . . . . 2395 1 27 . 1 1 100 100 SER HB2 H 1 3.95 . . 2 . . . . . . . . 2395 1 28 . 1 1 100 100 SER HB3 H 1 3.89 . . 2 . . . . . . . . 2395 1 29 . 1 1 101 101 LEU H H 1 7.98 . . 1 . . . . . . . . 2395 1 30 . 1 1 101 101 LEU HA H 1 4.31 . . 1 . . . . . . . . 2395 1 31 . 1 1 101 101 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 2395 1 32 . 1 1 101 101 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 2395 1 33 . 1 1 101 101 LEU HG H 1 1.64 . . 1 . . . . . . . . 2395 1 34 . 1 1 101 101 LEU HD11 H 1 .94 . . 2 . . . . . . . . 2395 1 35 . 1 1 101 101 LEU HD12 H 1 .94 . . 2 . . . . . . . . 2395 1 36 . 1 1 101 101 LEU HD13 H 1 .94 . . 2 . . . . . . . . 2395 1 37 . 1 1 101 101 LEU HD21 H 1 .88 . . 2 . . . . . . . . 2395 1 38 . 1 1 101 101 LEU HD22 H 1 .88 . . 2 . . . . . . . . 2395 1 39 . 1 1 101 101 LEU HD23 H 1 .88 . . 2 . . . . . . . . 2395 1 40 . 1 1 102 102 VAL H H 1 7.62 . . 1 . . . . . . . . 2395 1 41 . 1 1 102 102 VAL HA H 1 3.92 . . 1 . . . . . . . . 2395 1 42 . 1 1 102 102 VAL HB H 1 1.96 . . 1 . . . . . . . . 2395 1 43 . 1 1 102 102 VAL HG11 H 1 .87 . . 2 . . . . . . . . 2395 1 44 . 1 1 102 102 VAL HG12 H 1 .87 . . 2 . . . . . . . . 2395 1 45 . 1 1 102 102 VAL HG13 H 1 .87 . . 2 . . . . . . . . 2395 1 46 . 1 1 102 102 VAL HG21 H 1 .76 . . 2 . . . . . . . . 2395 1 47 . 1 1 102 102 VAL HG22 H 1 .76 . . 2 . . . . . . . . 2395 1 48 . 1 1 102 102 VAL HG23 H 1 .76 . . 2 . . . . . . . . 2395 1 49 . 1 1 103 103 PHE H H 1 7.86 . . 1 . . . . . . . . 2395 1 50 . 1 1 103 103 PHE HA H 1 4.58 . . 1 . . . . . . . . 2395 1 51 . 1 1 103 103 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 2395 1 52 . 1 1 103 103 PHE HB3 H 1 3.04 . . 2 . . . . . . . . 2395 1 53 . 1 1 104 104 GLY H H 1 8.16 . . 1 . . . . . . . . 2395 1 54 . 1 1 104 104 GLY HA2 H 1 4.01 . . 1 . . . . . . . . 2395 1 55 . 1 1 104 104 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 2395 1 56 . 1 1 105 105 THR H H 1 7.94 . . 1 . . . . . . . . 2395 1 57 . 1 1 105 105 THR HA H 1 4.28 . . 1 . . . . . . . . 2395 1 58 . 1 1 105 105 THR HB H 1 4.32 . . 1 . . . . . . . . 2395 1 59 . 1 1 105 105 THR HG21 H 1 1.26 . . 1 . . . . . . . . 2395 1 60 . 1 1 105 105 THR HG22 H 1 1.26 . . 1 . . . . . . . . 2395 1 61 . 1 1 105 105 THR HG23 H 1 1.26 . . 1 . . . . . . . . 2395 1 62 . 1 1 106 106 SER H H 1 8.21 . . 1 . . . . . . . . 2395 1 63 . 1 1 106 106 SER HA H 1 4.33 . . 1 . . . . . . . . 2395 1 64 . 1 1 106 106 SER HB2 H 1 4.01 . . 2 . . . . . . . . 2395 1 65 . 1 1 106 106 SER HB3 H 1 3.94 . . 2 . . . . . . . . 2395 1 66 . 1 1 107 107 ASP H H 1 8.28 . . 1 . . . . . . . . 2395 1 67 . 1 1 107 107 ASP HA H 1 4.61 . . 1 . . . . . . . . 2395 1 68 . 1 1 107 107 ASP HB2 H 1 2.86 . . 1 . . . . . . . . 2395 1 69 . 1 1 107 107 ASP HB3 H 1 2.86 . . 1 . . . . . . . . 2395 1 70 . 1 1 108 108 ARG H H 1 7.96 . . 1 . . . . . . . . 2395 1 71 . 1 1 108 108 ARG HA H 1 4.16 . . 1 . . . . . . . . 2395 1 72 . 1 1 108 108 ARG HB2 H 1 1.95 . . 1 . . . . . . . . 2395 1 73 . 1 1 108 108 ARG HB3 H 1 1.95 . . 1 . . . . . . . . 2395 1 74 . 1 1 108 108 ARG HG2 H 1 1.82 . . 2 . . . . . . . . 2395 1 75 . 1 1 108 108 ARG HG3 H 1 1.73 . . 2 . . . . . . . . 2395 1 76 . 1 1 108 108 ARG HD2 H 1 3.25 . . 1 . . . . . . . . 2395 1 77 . 1 1 108 108 ARG HD3 H 1 3.25 . . 1 . . . . . . . . 2395 1 78 . 1 1 108 108 ARG HE H 1 7.22 . . 1 . . . . . . . . 2395 1 79 . 1 1 109 109 VAL H H 1 7.83 . . 1 . . . . . . . . 2395 1 80 . 1 1 109 109 VAL HA H 1 3.68 . . 1 . . . . . . . . 2395 1 81 . 1 1 109 109 VAL HB H 1 2.12 . . 1 . . . . . . . . 2395 1 82 . 1 1 109 109 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 2395 1 83 . 1 1 109 109 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 2395 1 84 . 1 1 109 109 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 2395 1 85 . 1 1 109 109 VAL HG21 H 1 .89 . . 2 . . . . . . . . 2395 1 86 . 1 1 109 109 VAL HG22 H 1 .89 . . 2 . . . . . . . . 2395 1 87 . 1 1 109 109 VAL HG23 H 1 .89 . . 2 . . . . . . . . 2395 1 88 . 1 1 110 110 TYR H H 1 7.89 . . 1 . . . . . . . . 2395 1 89 . 1 1 110 110 TYR HA H 1 4.17 . . 1 . . . . . . . . 2395 1 90 . 1 1 110 110 TYR HB2 H 1 3.13 . . 1 . . . . . . . . 2395 1 91 . 1 1 110 110 TYR HB3 H 1 3.13 . . 1 . . . . . . . . 2395 1 92 . 1 1 110 110 TYR HD1 H 1 6.82 . . 1 . . . . . . . . 2395 1 93 . 1 1 110 110 TYR HD2 H 1 6.82 . . 1 . . . . . . . . 2395 1 94 . 1 1 110 110 TYR HE1 H 1 7 . . 1 . . . . . . . . 2395 1 95 . 1 1 110 110 TYR HE2 H 1 7 . . 1 . . . . . . . . 2395 1 96 . 1 1 111 111 GLU H H 1 8.05 . . 1 . . . . . . . . 2395 1 97 . 1 1 111 111 GLU HA H 1 3.92 . . 1 . . . . . . . . 2395 1 98 . 1 1 111 111 GLU HB2 H 1 2.19 . . 1 . . . . . . . . 2395 1 99 . 1 1 111 111 GLU HB3 H 1 2.19 . . 1 . . . . . . . . 2395 1 100 . 1 1 111 111 GLU HG2 H 1 2.57 . . 1 . . . . . . . . 2395 1 101 . 1 1 111 111 GLU HG3 H 1 2.57 . . 1 . . . . . . . . 2395 1 102 . 1 1 112 112 LYS H H 1 7.73 . . 1 . . . . . . . . 2395 1 103 . 1 1 112 112 LYS HA H 1 4.13 . . 1 . . . . . . . . 2395 1 104 . 1 1 112 112 LYS HB2 H 1 2.06 . . 2 . . . . . . . . 2395 1 105 . 1 1 112 112 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 2395 1 106 . 1 1 112 112 LYS HG2 H 1 1.65 . . 2 . . . . . . . . 2395 1 107 . 1 1 112 112 LYS HG3 H 1 1.56 . . 2 . . . . . . . . 2395 1 108 . 1 1 112 112 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 2395 1 109 . 1 1 112 112 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 2395 1 110 . 1 1 112 112 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 2395 1 111 . 1 1 112 112 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 2395 1 112 . 1 1 113 113 LEU H H 1 8.2 . . 1 . . . . . . . . 2395 1 113 . 1 1 113 113 LEU HA H 1 4.1 . . 1 . . . . . . . . 2395 1 114 . 1 1 113 113 LEU HB2 H 1 1.81 . . 1 . . . . . . . . 2395 1 115 . 1 1 113 113 LEU HB3 H 1 1.81 . . 1 . . . . . . . . 2395 1 116 . 1 1 113 113 LEU HD11 H 1 .86 . . 1 . . . . . . . . 2395 1 117 . 1 1 113 113 LEU HD12 H 1 .86 . . 1 . . . . . . . . 2395 1 118 . 1 1 113 113 LEU HD13 H 1 .86 . . 1 . . . . . . . . 2395 1 119 . 1 1 113 113 LEU HD21 H 1 .86 . . 1 . . . . . . . . 2395 1 120 . 1 1 113 113 LEU HD22 H 1 .86 . . 1 . . . . . . . . 2395 1 121 . 1 1 113 113 LEU HD23 H 1 .86 . . 1 . . . . . . . . 2395 1 122 . 1 1 114 114 LYS H H 1 8.22 . . 1 . . . . . . . . 2395 1 123 . 1 1 114 114 LYS HA H 1 3.93 . . 1 . . . . . . . . 2395 1 124 . 1 1 114 114 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 2395 1 125 . 1 1 114 114 LYS HB3 H 1 1.68 . . 2 . . . . . . . . 2395 1 126 . 1 1 114 114 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 2395 1 127 . 1 1 114 114 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 2395 1 128 . 1 1 114 114 LYS HD2 H 1 1.7 . . 1 . . . . . . . . 2395 1 129 . 1 1 114 114 LYS HD3 H 1 1.7 . . 1 . . . . . . . . 2395 1 130 . 1 1 114 114 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 2395 1 131 . 1 1 114 114 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 2395 1 132 . 1 1 115 115 ASP H H 1 8.05 . . 1 . . . . . . . . 2395 1 133 . 1 1 115 115 ASP HA H 1 4.44 . . 1 . . . . . . . . 2395 1 134 . 1 1 115 115 ASP HB2 H 1 3.1 . . 2 . . . . . . . . 2395 1 135 . 1 1 115 115 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 2395 1 136 . 1 1 116 116 LEU H H 1 8.16 . . 1 . . . . . . . . 2395 1 137 . 1 1 116 116 LEU HA H 1 4.19 . . 1 . . . . . . . . 2395 1 138 . 1 1 116 116 LEU HB2 H 1 1.84 . . 1 . . . . . . . . 2395 1 139 . 1 1 116 116 LEU HB3 H 1 1.84 . . 1 . . . . . . . . 2395 1 140 . 1 1 117 117 GLU H H 1 8.55 . . 1 . . . . . . . . 2395 1 141 . 1 1 117 117 GLU HA H 1 4 . . 1 . . . . . . . . 2395 1 142 . 1 1 117 117 GLU HB2 H 1 2.37 . . 1 . . . . . . . . 2395 1 143 . 1 1 117 117 GLU HB3 H 1 2.37 . . 1 . . . . . . . . 2395 1 144 . 1 1 117 117 GLU HG2 H 1 2.61 . . 1 . . . . . . . . 2395 1 145 . 1 1 117 117 GLU HG3 H 1 2.61 . . 1 . . . . . . . . 2395 1 146 . 1 1 118 118 GLU H H 1 8.43 . . 1 . . . . . . . . 2395 1 147 . 1 1 118 118 GLU HA H 1 4.04 . . 1 . . . . . . . . 2395 1 148 . 1 1 118 118 GLU HB2 H 1 2.29 . . 2 . . . . . . . . 2395 1 149 . 1 1 118 118 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 2395 1 150 . 1 1 118 118 GLU HG2 H 1 2.73 . . 2 . . . . . . . . 2395 1 151 . 1 1 118 118 GLU HG3 H 1 2.5 . . 2 . . . . . . . . 2395 1 152 . 1 1 119 119 GLY H H 1 8.14 . . 1 . . . . . . . . 2395 1 153 . 1 1 119 119 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 2395 1 154 . 1 1 119 119 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 2395 1 155 . 1 1 120 120 ILE H H 1 8.37 . . 1 . . . . . . . . 2395 1 156 . 1 1 120 120 ILE HA H 1 3.8 . . 1 . . . . . . . . 2395 1 157 . 1 1 120 120 ILE HB H 1 2.01 . . 1 . . . . . . . . 2395 1 158 . 1 1 120 120 ILE HG12 H 1 1.75 . . 2 . . . . . . . . 2395 1 159 . 1 1 120 120 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 2395 1 160 . 1 1 120 120 ILE HG21 H 1 .95 . . 1 . . . . . . . . 2395 1 161 . 1 1 120 120 ILE HG22 H 1 .95 . . 1 . . . . . . . . 2395 1 162 . 1 1 120 120 ILE HG23 H 1 .95 . . 1 . . . . . . . . 2395 1 163 . 1 1 120 120 ILE HD11 H 1 .83 . . 1 . . . . . . . . 2395 1 164 . 1 1 120 120 ILE HD12 H 1 .83 . . 1 . . . . . . . . 2395 1 165 . 1 1 120 120 ILE HD13 H 1 .83 . . 1 . . . . . . . . 2395 1 166 . 1 1 121 121 LEU H H 1 8.17 . . 1 . . . . . . . . 2395 1 167 . 1 1 121 121 LEU HA H 1 4.1 . . 1 . . . . . . . . 2395 1 168 . 1 1 121 121 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 2395 1 169 . 1 1 121 121 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 2395 1 170 . 1 1 122 122 ALA H H 1 7.98 . . 1 . . . . . . . . 2395 1 171 . 1 1 122 122 ALA HA H 1 4.09 . . 1 . . . . . . . . 2395 1 172 . 1 1 122 122 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 2395 1 173 . 1 1 122 122 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 2395 1 174 . 1 1 122 122 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 2395 1 175 . 1 1 123 123 LEU H H 1 7.93 . . 1 . . . . . . . . 2395 1 176 . 1 1 123 123 LEU HA H 1 4.16 . . 1 . . . . . . . . 2395 1 177 . 1 1 123 123 LEU HB2 H 1 1.84 . . 1 . . . . . . . . 2395 1 178 . 1 1 123 123 LEU HB3 H 1 1.84 . . 1 . . . . . . . . 2395 1 179 . 1 1 124 124 MET H H 1 8.64 . . 1 . . . . . . . . 2395 1 180 . 1 1 124 124 MET HA H 1 4.07 . . 1 . . . . . . . . 2395 1 181 . 1 1 124 124 MET HB2 H 1 2.28 . . 2 . . . . . . . . 2395 1 182 . 1 1 124 124 MET HB3 H 1 2.09 . . 2 . . . . . . . . 2395 1 183 . 1 1 124 124 MET HG2 H 1 2.77 . . 2 . . . . . . . . 2395 1 184 . 1 1 124 124 MET HG3 H 1 2.47 . . 2 . . . . . . . . 2395 1 185 . 1 1 124 124 MET HE1 H 1 1.97 . . 1 . . . . . . . . 2395 1 186 . 1 1 124 124 MET HE2 H 1 1.97 . . 1 . . . . . . . . 2395 1 187 . 1 1 124 124 MET HE3 H 1 1.97 . . 1 . . . . . . . . 2395 1 188 . 1 1 125 125 ARG H H 1 8.14 . . 1 . . . . . . . . 2395 1 189 . 1 1 125 125 ARG HA H 1 4.05 . . 1 . . . . . . . . 2395 1 190 . 1 1 125 125 ARG HB2 H 1 2 . . 1 . . . . . . . . 2395 1 191 . 1 1 125 125 ARG HB3 H 1 2 . . 1 . . . . . . . . 2395 1 192 . 1 1 125 125 ARG HG2 H 1 1.85 . . 2 . . . . . . . . 2395 1 193 . 1 1 125 125 ARG HG3 H 1 1.71 . . 2 . . . . . . . . 2395 1 194 . 1 1 125 125 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 2395 1 195 . 1 1 125 125 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 2395 1 196 . 1 1 125 125 ARG HE H 1 7.19 . . 1 . . . . . . . . 2395 1 197 . 1 1 126 126 GLU H H 1 7.96 . . 1 . . . . . . . . 2395 1 198 . 1 1 126 126 GLU HA H 1 4.13 . . 1 . . . . . . . . 2395 1 199 . 1 1 126 126 GLU HB2 H 1 2.35 . . 2 . . . . . . . . 2395 1 200 . 1 1 126 126 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 2395 1 201 . 1 1 126 126 GLU HG2 H 1 2.6 . . 2 . . . . . . . . 2395 1 202 . 1 1 126 126 GLU HG3 H 1 2.52 . . 2 . . . . . . . . 2395 1 203 . 1 1 127 127 LEU H H 1 8.32 . . 1 . . . . . . . . 2395 1 204 . 1 1 127 127 LEU HA H 1 4.17 . . 1 . . . . . . . . 2395 1 205 . 1 1 127 127 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 2395 1 206 . 1 1 127 127 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 2395 1 207 . 1 1 128 128 GLU H H 1 8.13 . . 1 . . . . . . . . 2395 1 208 . 1 1 128 128 GLU HA H 1 4.21 . . 1 . . . . . . . . 2395 1 209 . 1 1 128 128 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 2395 1 210 . 1 1 128 128 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 2395 1 211 . 1 1 128 128 GLU HG2 H 1 2.63 . . 2 . . . . . . . . 2395 1 212 . 1 1 128 128 GLU HG3 H 1 2.47 . . 2 . . . . . . . . 2395 1 213 . 1 1 129 129 ASP H H 1 8.14 . . 1 . . . . . . . . 2395 1 214 . 1 1 129 129 ASP HA H 1 4.77 . . 1 . . . . . . . . 2395 1 215 . 1 1 129 129 ASP HB2 H 1 2.97 . . 1 . . . . . . . . 2395 1 216 . 1 1 129 129 ASP HB3 H 1 2.97 . . 1 . . . . . . . . 2395 1 217 . 1 1 130 130 GLY H H 1 8.04 . . 1 . . . . . . . . 2395 1 218 . 1 1 130 130 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 2395 1 219 . 1 1 130 130 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 2395 1 220 . 1 1 131 131 THR H H 1 7.65 . . 1 . . . . . . . . 2395 1 221 . 1 1 131 131 THR HA H 1 4.53 . . 1 . . . . . . . . 2395 1 222 . 1 1 131 131 THR HB H 1 4.1 . . 1 . . . . . . . . 2395 1 223 . 1 1 131 131 THR HG21 H 1 1.2 . . 1 . . . . . . . . 2395 1 224 . 1 1 131 131 THR HG22 H 1 1.2 . . 1 . . . . . . . . 2395 1 225 . 1 1 131 131 THR HG23 H 1 1.2 . . 1 . . . . . . . . 2395 1 226 . 1 1 132 132 PRO HA H 1 4.46 . . 1 . . . . . . . . 2395 1 227 . 1 1 132 132 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 2395 1 228 . 1 1 132 132 PRO HB3 H 1 1.98 . . 2 . . . . . . . . 2395 1 229 . 1 1 132 132 PRO HG2 H 1 2.05 . . 1 . . . . . . . . 2395 1 230 . 1 1 132 132 PRO HG3 H 1 2.05 . . 1 . . . . . . . . 2395 1 231 . 1 1 132 132 PRO HD2 H 1 3.87 . . 2 . . . . . . . . 2395 1 232 . 1 1 132 132 PRO HD3 H 1 3.71 . . 2 . . . . . . . . 2395 1 233 . 1 1 133 133 ARG H H 1 7.92 . . 1 . . . . . . . . 2395 1 234 . 1 1 133 133 ARG HA H 1 4.34 . . 1 . . . . . . . . 2395 1 235 . 1 1 133 133 ARG HB2 H 1 1.94 . . 2 . . . . . . . . 2395 1 236 . 1 1 133 133 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 2395 1 237 . 1 1 133 133 ARG HG2 H 1 1.68 . . 1 . . . . . . . . 2395 1 238 . 1 1 133 133 ARG HG3 H 1 1.68 . . 1 . . . . . . . . 2395 1 239 . 1 1 133 133 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 2395 1 240 . 1 1 133 133 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 2395 1 241 . 1 1 133 133 ARG HE H 1 7.14 . . 1 . . . . . . . . 2395 1 stop_ save_