data_27633 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27633 _Entry.Title ; Chemical shift assignments of the C-terminal domain of chicken H1.11L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-27 _Entry.Accession_date 2018-09-27 _Entry.Last_release_date 2018-09-27 _Entry.Original_release_date 2018-09-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Abigail Turner . L. . . 27633 2 Matthew Watson . . . . 27633 3 Oscar Wilkins . G. . . 27633 4 Laura Cato . . . . 27633 5 Andrew Travers . . . . 27633 6 Jean Thomas . O. . . 27633 7 Katherine Stott . . . . 27633 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27633 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 71 27633 '1H chemical shifts' 71 27633 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 . . 2019-02-06 . original BMRB . 27633 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27633 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30301810 _Citation.Full_citation . _Citation.Title ; Highly disordered histone H1-DNA model complexes and their condensates ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 115 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 11964 _Citation.Page_last 11969 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Abigail Turner . L. . . 27633 1 2 Matthew Watson . . . . 27633 1 3 Oscar Wilkins . G. . . 27633 1 4 Laura Cato . . . . 27633 1 5 Andrew Travers . . . . 27633 1 6 Jean Thomas . O. . . 27633 1 7 Katherine Stott . . . . 27633 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chromatin 27633 1 'histone H1' 27633 1 'intrinsic disorder' 27633 1 'phase separation' 27633 1 phosphorylation 27633 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27633 _Assembly.ID 1 _Assembly.Name 'H1 C-terminal domain' _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 no _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 'H1 C-terminal domain' 1 $H1 A . yes 'intrinsically disordered' no no . . . 27633 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H1 _Entity.Sf_category entity _Entity.Sf_framecode H1 _Entity.Entry_ID 27633 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H1 _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 ; KPGEVKEKAPKKKASAAKPK KPAAKKPAAAAKKPKKAVAV KKSPKKAKKPAASATKKSAK SPKKVTKAVKPKKAVAAKSP AKAKAVKPKAAKPKAAKPKA AKAKKAAAKKK ; _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 111 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 115 LYS . 27633 1 2 116 PRO . 27633 1 3 117 GLY . 27633 1 4 118 GLU . 27633 1 5 119 VAL . 27633 1 6 120 LYS . 27633 1 7 121 GLU . 27633 1 8 122 LYS . 27633 1 9 123 ALA . 27633 1 10 124 PRO . 27633 1 11 125 LYS . 27633 1 12 126 LYS . 27633 1 13 127 LYS . 27633 1 14 128 ALA . 27633 1 15 129 SER . 27633 1 16 130 ALA . 27633 1 17 131 ALA . 27633 1 18 132 LYS . 27633 1 19 133 PRO . 27633 1 20 134 LYS . 27633 1 21 135 LYS . 27633 1 22 136 PRO . 27633 1 23 137 ALA . 27633 1 24 138 ALA . 27633 1 25 139 LYS . 27633 1 26 140 LYS . 27633 1 27 141 PRO . 27633 1 28 142 ALA . 27633 1 29 143 ALA . 27633 1 30 144 ALA . 27633 1 31 145 ALA . 27633 1 32 146 LYS . 27633 1 33 147 LYS . 27633 1 34 148 PRO . 27633 1 35 149 LYS . 27633 1 36 150 LYS . 27633 1 37 151 ALA . 27633 1 38 152 VAL . 27633 1 39 153 ALA . 27633 1 40 154 VAL . 27633 1 41 155 LYS . 27633 1 42 156 LYS . 27633 1 43 157 SER . 27633 1 44 158 PRO . 27633 1 45 159 LYS . 27633 1 46 160 LYS . 27633 1 47 161 ALA . 27633 1 48 162 LYS . 27633 1 49 163 LYS . 27633 1 50 164 PRO . 27633 1 51 165 ALA . 27633 1 52 166 ALA . 27633 1 53 167 SER . 27633 1 54 168 ALA . 27633 1 55 169 THR . 27633 1 56 170 LYS . 27633 1 57 171 LYS . 27633 1 58 172 SER . 27633 1 59 173 ALA . 27633 1 60 174 LYS . 27633 1 61 175 SER . 27633 1 62 176 PRO . 27633 1 63 177 LYS . 27633 1 64 178 LYS . 27633 1 65 179 VAL . 27633 1 66 180 THR . 27633 1 67 181 LYS . 27633 1 68 182 ALA . 27633 1 69 183 VAL . 27633 1 70 184 LYS . 27633 1 71 185 PRO . 27633 1 72 186 LYS . 27633 1 73 187 LYS . 27633 1 74 188 ALA . 27633 1 75 189 VAL . 27633 1 76 190 ALA . 27633 1 77 191 ALA . 27633 1 78 192 LYS . 27633 1 79 193 SER . 27633 1 80 194 PRO . 27633 1 81 195 ALA . 27633 1 82 196 LYS . 27633 1 83 197 ALA . 27633 1 84 198 LYS . 27633 1 85 199 ALA . 27633 1 86 200 VAL . 27633 1 87 201 LYS . 27633 1 88 202 PRO . 27633 1 89 203 LYS . 27633 1 90 204 ALA . 27633 1 91 205 ALA . 27633 1 92 206 LYS . 27633 1 93 207 PRO . 27633 1 94 208 LYS . 27633 1 95 209 ALA . 27633 1 96 210 ALA . 27633 1 97 211 LYS . 27633 1 98 212 PRO . 27633 1 99 213 LYS . 27633 1 100 214 ALA . 27633 1 101 215 ALA . 27633 1 102 216 LYS . 27633 1 103 217 ALA . 27633 1 104 218 LYS . 27633 1 105 219 LYS . 27633 1 106 220 ALA . 27633 1 107 221 ALA . 27633 1 108 222 ALA . 27633 1 109 223 LYS . 27633 1 110 224 LYS . 27633 1 111 225 LYS . 27633 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 . LYS 1 1 27633 1 . PRO 2 2 27633 1 . GLY 3 3 27633 1 . GLU 4 4 27633 1 . VAL 5 5 27633 1 . LYS 6 6 27633 1 . GLU 7 7 27633 1 . LYS 8 8 27633 1 . ALA 9 9 27633 1 . PRO 10 10 27633 1 . LYS 11 11 27633 1 . LYS 12 12 27633 1 . LYS 13 13 27633 1 . ALA 14 14 27633 1 . SER 15 15 27633 1 . ALA 16 16 27633 1 . ALA 17 17 27633 1 . LYS 18 18 27633 1 . PRO 19 19 27633 1 . LYS 20 20 27633 1 . LYS 21 21 27633 1 . PRO 22 22 27633 1 . ALA 23 23 27633 1 . ALA 24 24 27633 1 . LYS 25 25 27633 1 . LYS 26 26 27633 1 . PRO 27 27 27633 1 . ALA 28 28 27633 1 . ALA 29 29 27633 1 . ALA 30 30 27633 1 . ALA 31 31 27633 1 . LYS 32 32 27633 1 . LYS 33 33 27633 1 . PRO 34 34 27633 1 . LYS 35 35 27633 1 . LYS 36 36 27633 1 . ALA 37 37 27633 1 . VAL 38 38 27633 1 . ALA 39 39 27633 1 . VAL 40 40 27633 1 . LYS 41 41 27633 1 . LYS 42 42 27633 1 . SER 43 43 27633 1 . PRO 44 44 27633 1 . LYS 45 45 27633 1 . LYS 46 46 27633 1 . ALA 47 47 27633 1 . LYS 48 48 27633 1 . LYS 49 49 27633 1 . PRO 50 50 27633 1 . ALA 51 51 27633 1 . ALA 52 52 27633 1 . SER 53 53 27633 1 . ALA 54 54 27633 1 . THR 55 55 27633 1 . LYS 56 56 27633 1 . LYS 57 57 27633 1 . SER 58 58 27633 1 . ALA 59 59 27633 1 . LYS 60 60 27633 1 . SER 61 61 27633 1 . PRO 62 62 27633 1 . LYS 63 63 27633 1 . LYS 64 64 27633 1 . VAL 65 65 27633 1 . THR 66 66 27633 1 . LYS 67 67 27633 1 . ALA 68 68 27633 1 . VAL 69 69 27633 1 . LYS 70 70 27633 1 . PRO 71 71 27633 1 . LYS 72 72 27633 1 . LYS 73 73 27633 1 . ALA 74 74 27633 1 . VAL 75 75 27633 1 . ALA 76 76 27633 1 . ALA 77 77 27633 1 . LYS 78 78 27633 1 . SER 79 79 27633 1 . PRO 80 80 27633 1 . ALA 81 81 27633 1 . LYS 82 82 27633 1 . ALA 83 83 27633 1 . LYS 84 84 27633 1 . ALA 85 85 27633 1 . VAL 86 86 27633 1 . LYS 87 87 27633 1 . PRO 88 88 27633 1 . LYS 89 89 27633 1 . ALA 90 90 27633 1 . ALA 91 91 27633 1 . LYS 92 92 27633 1 . PRO 93 93 27633 1 . LYS 94 94 27633 1 . ALA 95 95 27633 1 . ALA 96 96 27633 1 . LYS 97 97 27633 1 . PRO 98 98 27633 1 . LYS 99 99 27633 1 . ALA 100 100 27633 1 . ALA 101 101 27633 1 . LYS 102 102 27633 1 . ALA 103 103 27633 1 . LYS 104 104 27633 1 . LYS 105 105 27633 1 . ALA 106 106 27633 1 . ALA 107 107 27633 1 . ALA 108 108 27633 1 . LYS 109 109 27633 1 . LYS 110 110 27633 1 . LYS 111 111 27633 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 27633 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H1 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . H1.11L . . . . . . . . . . . 27633 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 27633 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET13a . . . 27633 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27633 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 H1 '[U-99% 13C; U-99% 15N]' . . 1 $H1 . . 0.5 . . mM . . . . 27633 1 2 'sodium phosphate' 'natural abundance' . . . . . . 0.5 . . mM . . . . 27633 1 3 NaCl 'natural abundance' . . . . . . 0.5 . . mM . . . . 27633 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27633 _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 'ionic strength' 0.16 . M 27633 1 pH 6.0 . pH 27633 1 pressure 1 . atm 27633 1 temperature 298 . K 27633 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27633 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27633 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27633 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 27633 _Software.ID 2 _Software.Type . _Software.Name AZARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 27633 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27633 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27633 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version v2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27633 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27633 3 'data analysis' 27633 3 'peak picking' 27633 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27633 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27633 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27633 _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 Bruker Avance . 600 . . . 27633 1 2 spectrometer_2 Bruker DRX . 500 . . . 27633 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 27633 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27633 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27633 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27633 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27633 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27633 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 27633 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.Ambiguity_set_ID _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 3 3 GLY H H 1 8.623 0.001 . 1 . . . . . 117 GLY H . 27633 1 2 . 1 1 3 3 GLY N N 15 110.149 0.015 . 1 . . . . . 117 GLY N . 27633 1 3 . 1 1 4 4 GLU H H 1 8.039 0.001 . 1 . . . . . 118 GLU H . 27633 1 4 . 1 1 4 4 GLU N N 15 120.750 0.020 . 1 . . . . . 118 GLU N . 27633 1 5 . 1 1 5 5 VAL H H 1 8.249 0.001 . 1 . . . . . 119 VAL H . 27633 1 6 . 1 1 5 5 VAL N N 15 121.823 0.015 . 1 . . . . . 119 VAL N . 27633 1 7 . 1 1 6 6 LYS H H 1 8.439 0.001 . 1 . . . . . 120 LYS H . 27633 1 8 . 1 1 6 6 LYS N N 15 125.759 0.016 . 1 . . . . . 120 LYS N . 27633 1 9 . 1 1 7 7 GLU H H 1 8.444 0.001 . 1 . . . . . 121 GLU H . 27633 1 10 . 1 1 7 7 GLU N N 15 122.678 0.022 . 1 . . . . . 121 GLU N . 27633 1 11 . 1 1 8 8 LYS H H 1 8.439 0.001 . 1 . . . . . 122 LYS H . 27633 1 12 . 1 1 8 8 LYS N N 15 123.210 0.010 . 1 . . . . . 122 LYS N . 27633 1 13 . 1 1 9 9 ALA H H 1 8.316 0.001 . 1 . . . . . 123 ALA H . 27633 1 14 . 1 1 9 9 ALA N N 15 126.347 0.009 . 1 . . . . . 123 ALA N . 27633 1 15 . 1 1 11 11 LYS H H 1 8.438 0.001 . 1 . . . . . 125 LYS H . 27633 1 16 . 1 1 11 11 LYS N N 15 122.050 0.001 . 1 . . . . . 125 LYS N . 27633 1 17 . 1 1 12 12 LYS H H 1 8.362 0.001 . 1 . . . . . 126 LYS H . 27633 1 18 . 1 1 12 12 LYS N N 15 123.337 0.018 . 1 . . . . . 126 LYS N . 27633 1 19 . 1 1 13 13 LYS H H 1 8.439 0.005 . 1 . . . . . 127 LYS H . 27633 1 20 . 1 1 13 13 LYS N N 15 123.932 0.019 . 1 . . . . . 127 LYS N . 27633 1 21 . 1 1 14 14 ALA H H 1 8.463 0.001 . 1 . . . . . 128 ALA H . 27633 1 22 . 1 1 14 14 ALA N N 15 126.389 0.052 . 1 . . . . . 128 ALA N . 27633 1 23 . 1 1 15 15 SER H H 1 8.352 0.001 . 1 . . . . . 129 SER H . 27633 1 24 . 1 1 15 15 SER N N 15 115.724 0.034 . 1 . . . . . 129 SER N . 27633 1 25 . 1 1 16 16 ALA H H 1 8.356 0.001 . 1 . . . . . 130 ALA H . 27633 1 26 . 1 1 16 16 ALA N N 15 126.428 0.064 . 1 . . . . . 130 ALA N . 27633 1 27 . 1 1 17 17 ALA H H 1 8.254 0.001 . 1 . . . . . 131 ALA H . 27633 1 28 . 1 1 17 17 ALA N N 15 123.850 0.023 . 1 . . . . . 131 ALA N . 27633 1 29 . 1 1 18 18 LYS H H 1 8.339 0.001 . 1 . . . . . 132 LYS H . 27633 1 30 . 1 1 18 18 LYS N N 15 122.526 0.012 . 1 . . . . . 132 LYS N . 27633 1 31 . 1 1 20 20 LYS H H 1 8.474 0.001 . 1 . . . . . 134 LYS H . 27633 1 32 . 1 1 20 20 LYS N N 15 122.454 0.013 . 1 . . . . . 134 LYS N . 27633 1 33 . 1 1 21 21 LYS H H 1 8.384 0.003 . 1 . . . . . 135 LYS H . 27633 1 34 . 1 1 21 21 LYS N N 15 124.341 0.003 . 1 . . . . . 135 LYS N . 27633 1 35 . 1 1 35 35 LYS H H 1 8.451 0.001 . 1 . . . . . 149 LYS H . 27633 1 36 . 1 1 35 35 LYS N N 15 122.436 0.009 . 1 . . . . . 149 LYS N . 27633 1 37 . 1 1 36 36 LYS H H 1 8.334 0.001 . 1 . . . . . 150 LYS H . 27633 1 38 . 1 1 36 36 LYS N N 15 123.430 0.010 . 1 . . . . . 150 LYS N . 27633 1 39 . 1 1 37 37 ALA H H 1 8.423 0.001 . 1 . . . . . 151 ALA H . 27633 1 40 . 1 1 37 37 ALA N N 15 126.775 0.016 . 1 . . . . . 151 ALA N . 27633 1 41 . 1 1 38 38 VAL H H 1 8.183 0.001 . 1 . . . . . 152 VAL H . 27633 1 42 . 1 1 38 38 VAL N N 15 120.434 0.008 . 1 . . . . . 152 VAL N . 27633 1 43 . 1 1 39 39 ALA H H 1 8.410 0.001 . 1 . . . . . 153 ALA H . 27633 1 44 . 1 1 39 39 ALA N N 15 128.683 0.017 . 1 . . . . . 153 ALA N . 27633 1 45 . 1 1 40 40 VAL H H 1 8.199 0.001 . 1 . . . . . 154 VAL H . 27633 1 46 . 1 1 40 40 VAL N N 15 120.849 0.010 . 1 . . . . . 154 VAL N . 27633 1 47 . 1 1 41 41 LYS H H 1 8.452 0.001 . 1 . . . . . 155 LYS H . 27633 1 48 . 1 1 41 41 LYS N N 15 126.341 0.011 . 1 . . . . . 155 LYS N . 27633 1 49 . 1 1 42 42 LYS H H 1 8.451 0.001 . 1 . . . . . 156 LYS H . 27633 1 50 . 1 1 42 42 LYS N N 15 124.057 0.011 . 1 . . . . . 156 LYS N . 27633 1 51 . 1 1 43 43 SER H H 1 8.500 0.002 . 1 . . . . . 157 SER H . 27633 1 52 . 1 1 43 43 SER N N 15 119.394 0.020 . 1 . . . . . 157 SER N . 27633 1 53 . 1 1 51 51 ALA H H 1 8.445 0.001 . 1 . . . . . 165 ALA H . 27633 1 54 . 1 1 51 51 ALA N N 15 124.951 0.031 . 1 . . . . . 165 ALA N . 27633 1 55 . 1 1 52 52 ALA H H 1 8.402 0.002 . 1 . . . . . 166 ALA H . 27633 1 56 . 1 1 52 52 ALA N N 15 123.938 0.026 . 1 . . . . . 166 ALA N . 27633 1 57 . 1 1 53 53 SER H H 1 8.310 0.001 . 1 . . . . . 167 SER H . 27633 1 58 . 1 1 53 53 SER N N 15 115.103 0.014 . 1 . . . . . 167 SER N . 27633 1 59 . 1 1 54 54 ALA H H 1 8.387 0.001 . 1 . . . . . 168 ALA H . 27633 1 60 . 1 1 54 54 ALA N N 15 126.323 0.020 . 1 . . . . . 168 ALA N . 27633 1 61 . 1 1 55 55 THR H H 1 8.139 0.001 . 1 . . . . . 169 THR H . 27633 1 62 . 1 1 55 55 THR N N 15 113.850 0.001 . 1 . . . . . 169 THR N . 27633 1 63 . 1 1 56 56 LYS H H 1 8.347 0.001 . 1 . . . . . 170 LYS H . 27633 1 64 . 1 1 56 56 LYS N N 15 124.480 0.016 . 1 . . . . . 170 LYS N . 27633 1 65 . 1 1 57 57 LYS H H 1 8.429 0.001 . 1 . . . . . 171 LYS H . 27633 1 66 . 1 1 57 57 LYS N N 15 123.514 0.018 . 1 . . . . . 171 LYS N . 27633 1 67 . 1 1 58 58 SER H H 1 8.381 0.001 . 1 . . . . . 172 SER H . 27633 1 68 . 1 1 58 58 SER N N 15 117.503 0.014 . 1 . . . . . 172 SER N . 27633 1 69 . 1 1 59 59 ALA H H 1 8.406 0.001 . 1 . . . . . 173 ALA H . 27633 1 70 . 1 1 59 59 ALA N N 15 126.611 0.022 . 1 . . . . . 173 ALA N . 27633 1 71 . 1 1 60 60 LYS H H 1 8.307 0.001 . 1 . . . . . 174 LYS H . 27633 1 72 . 1 1 60 60 LYS N N 15 120.814 0.033 . 1 . . . . . 174 LYS N . 27633 1 73 . 1 1 61 61 SER H H 1 8.390 0.001 . 1 . . . . . 175 SER H . 27633 1 74 . 1 1 61 61 SER N N 15 118.888 0.017 . 1 . . . . . 175 SER N . 27633 1 75 . 1 1 63 63 LYS H H 1 8.361 0.001 . 1 . . . . . 177 LYS H . 27633 1 76 . 1 1 63 63 LYS N N 15 122.044 0.011 . 1 . . . . . 177 LYS N . 27633 1 77 . 1 1 64 64 LYS H H 1 8.399 0.001 . 1 . . . . . 178 LYS H . 27633 1 78 . 1 1 64 64 LYS N N 15 123.953 0.012 . 1 . . . . . 178 LYS N . 27633 1 79 . 1 1 65 65 VAL H H 1 8.344 0.001 . 1 . . . . . 179 VAL H . 27633 1 80 . 1 1 65 65 VAL N N 15 123.235 0.013 . 1 . . . . . 179 VAL N . 27633 1 81 . 1 1 66 66 THR H H 1 8.378 0.001 . 1 . . . . . 180 THR H . 27633 1 82 . 1 1 66 66 THR N N 15 120.022 0.016 . 1 . . . . . 180 THR N . 27633 1 83 . 1 1 67 67 LYS H H 1 8.388 0.001 . 1 . . . . . 181 LYS H . 27633 1 84 . 1 1 67 67 LYS N N 15 124.901 0.034 . 1 . . . . . 181 LYS N . 27633 1 85 . 1 1 68 68 ALA H H 1 8.385 0.001 . 1 . . . . . 182 ALA H . 27633 1 86 . 1 1 68 68 ALA N N 15 126.513 0.017 . 1 . . . . . 182 ALA N . 27633 1 87 . 1 1 69 69 VAL H H 1 8.232 0.001 . 1 . . . . . 183 VAL H . 27633 1 88 . 1 1 69 69 VAL N N 15 120.758 0.032 . 1 . . . . . 183 VAL N . 27633 1 89 . 1 1 70 70 LYS H H 1 8.456 0.001 . 1 . . . . . 184 LYS H . 27633 1 90 . 1 1 70 70 LYS N N 15 127.251 0.025 . 1 . . . . . 184 LYS N . 27633 1 91 . 1 1 72 72 LYS H H 1 8.451 0.001 . 1 . . . . . 186 LYS H . 27633 1 92 . 1 1 72 72 LYS N N 15 122.436 0.009 . 1 . . . . . 186 LYS N . 27633 1 93 . 1 1 73 73 LYS H H 1 8.334 0.001 . 1 . . . . . 187 LYS H . 27633 1 94 . 1 1 73 73 LYS N N 15 123.428 0.010 . 1 . . . . . 187 LYS N . 27633 1 95 . 1 1 74 74 ALA H H 1 8.423 0.001 . 1 . . . . . 188 ALA H . 27633 1 96 . 1 1 74 74 ALA N N 15 126.771 0.013 . 1 . . . . . 188 ALA N . 27633 1 97 . 1 1 75 75 VAL H H 1 8.192 0.001 . 1 . . . . . 189 VAL H . 27633 1 98 . 1 1 75 75 VAL N N 15 120.416 0.016 . 1 . . . . . 189 VAL N . 27633 1 99 . 1 1 76 76 ALA H H 1 8.403 0.001 . 1 . . . . . 190 ALA H . 27633 1 100 . 1 1 76 76 ALA N N 15 128.565 0.010 . 1 . . . . . 190 ALA N . 27633 1 101 . 1 1 77 77 ALA H H 1 8.318 0.001 . 1 . . . . . 191 ALA H . 27633 1 102 . 1 1 77 77 ALA N N 15 124.256 0.012 . 1 . . . . . 191 ALA N . 27633 1 103 . 1 1 78 78 LYS H H 1 8.347 0.002 . 1 . . . . . 192 LYS H . 27633 1 104 . 1 1 78 78 LYS N N 15 121.207 0.025 . 1 . . . . . 192 LYS N . 27633 1 105 . 1 1 79 79 SER H H 1 8.416 0.001 . 1 . . . . . 193 SER H . 27633 1 106 . 1 1 79 79 SER N N 15 118.940 0.014 . 1 . . . . . 193 SER N . 27633 1 107 . 1 1 81 81 ALA H H 1 8.372 0.001 . 1 . . . . . 195 ALA H . 27633 1 108 . 1 1 81 81 ALA N N 15 124.591 0.025 . 1 . . . . . 195 ALA N . 27633 1 109 . 1 1 82 82 LYS H H 1 8.288 0.001 . 1 . . . . . 196 LYS H . 27633 1 110 . 1 1 82 82 LYS N N 15 121.050 0.017 . 1 . . . . . 196 LYS N . 27633 1 111 . 1 1 83 83 ALA H H 1 8.307 0.001 . 1 . . . . . 197 ALA H . 27633 1 112 . 1 1 83 83 ALA N N 15 125.730 0.011 . 1 . . . . . 197 ALA N . 27633 1 113 . 1 1 84 84 LYS H H 1 8.299 0.001 . 1 . . . . . 198 LYS H . 27633 1 114 . 1 1 84 84 LYS N N 15 121.113 0.008 . 1 . . . . . 198 LYS N . 27633 1 115 . 1 1 85 85 ALA H H 1 8.310 0.001 . 1 . . . . . 199 ALA H . 27633 1 116 . 1 1 85 85 ALA N N 15 125.973 0.010 . 1 . . . . . 199 ALA N . 27633 1 117 . 1 1 86 86 VAL H H 1 8.207 0.001 . 1 . . . . . 200 VAL H . 27633 1 118 . 1 1 86 86 VAL N N 15 120.638 0.027 . 1 . . . . . 200 VAL N . 27633 1 119 . 1 1 87 87 LYS H H 1 8.455 0.001 . 1 . . . . . 201 LYS H . 27633 1 120 . 1 1 87 87 LYS N N 15 127.274 0.015 . 1 . . . . . 201 LYS N . 27633 1 121 . 1 1 89 89 LYS H H 1 8.453 0.001 . 1 . . . . . 203 LYS H . 27633 1 122 . 1 1 89 89 LYS N N 15 122.243 0.010 . 1 . . . . . 203 LYS N . 27633 1 123 . 1 1 90 90 ALA H H 1 8.334 0.001 . 1 . . . . . 204 ALA H . 27633 1 124 . 1 1 90 90 ALA N N 15 125.810 0.035 . 1 . . . . . 204 ALA N . 27633 1 125 . 1 1 91 91 ALA H H 1 8.335 0.001 . 1 . . . . . 205 ALA H . 27633 1 126 . 1 1 91 91 ALA N N 15 124.366 0.035 . 1 . . . . . 205 ALA N . 27633 1 127 . 1 1 92 92 LYS H H 1 8.359 0.003 . 1 . . . . . 206 LYS H . 27633 1 128 . 1 1 92 92 LYS N N 15 122.549 0.017 . 1 . . . . . 206 LYS N . 27633 1 129 . 1 1 94 94 LYS H H 1 8.453 0.001 . 1 . . . . . 208 LYS H . 27633 1 130 . 1 1 94 94 LYS N N 15 122.243 0.010 . 1 . . . . . 208 LYS N . 27633 1 131 . 1 1 95 95 ALA H H 1 8.334 0.001 . 1 . . . . . 209 ALA H . 27633 1 132 . 1 1 95 95 ALA N N 15 125.810 0.035 . 1 . . . . . 209 ALA N . 27633 1 133 . 1 1 96 96 ALA H H 1 8.335 0.001 . 1 . . . . . 210 ALA H . 27633 1 134 . 1 1 96 96 ALA N N 15 124.366 0.035 . 1 . . . . . 210 ALA N . 27633 1 135 . 1 1 97 97 LYS H H 1 8.359 0.003 . 1 . . . . . 211 LYS H . 27633 1 136 . 1 1 97 97 LYS N N 15 122.549 0.017 . 1 . . . . . 211 LYS N . 27633 1 137 . 1 1 109 109 LYS H H 1 8.304 0.001 . 1 . . . . . 223 LYS H . 27633 1 138 . 1 1 109 109 LYS N N 15 121.385 0.010 . 1 . . . . . 223 LYS N . 27633 1 139 . 1 1 110 110 LYS H H 1 8.391 0.001 . 1 . . . . . 224 LYS H . 27633 1 140 . 1 1 110 110 LYS N N 15 124.092 0.012 . 1 . . . . . 224 LYS N . 27633 1 141 . 1 1 111 111 LYS H H 1 8.026 0.001 . 1 . . . . . 225 LYS H . 27633 1 142 . 1 1 111 111 LYS N N 15 128.386 0.011 . 1 . . . . . 225 LYS N . 27633 1 stop_ save_