data_15719 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15719 _Entry.Title ; Assignment of the central region (131-28) of human h1 calponin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-07 _Entry.Accession_date 2008-04-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Almost complete backbone + sidechain assignment of 15N/13C labelled human h1 calponin containing actin and calmodulin binding sites.' _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 Mark Pfuhl . . . 15719 2 Mohammed 'El Mezgueldi' . . . 15719 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Henry Wellcome Laboratories of Structural Biology' . 15719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 15719 '15N chemical shifts' 83 15719 '1H chemical shifts' 425 15719 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 2 . . 2011-05-19 2008-04-07 update BMRB 'update entry citation' 15719 1 . . 2008-05-05 2008-04-07 original author 'original release' 15719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4880 'N-terminus of Calponin' 15719 stop_ save_ ############### # Citations # ############### save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 15719 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21463585 _Citation.Full_citation . _Citation.Title 'The calponin regulatory region is intrinsically unstructured: novel insight into actin-calponin and calmodulin-calponin interfaces using NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 100 _Citation.Journal_issue 7 _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 1718 _Citation.Page_last 1728 _Citation.Year 2011 _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 Mark Pfuhl . . . 15719 1 2 Sameeh Al-Sarayreh . . . 15719 1 3 Mohammed El-Mezgueldi . . . 15719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15719 _Assembly.ID 1 _Assembly.Name 'calponin monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10807.3 _Assembly.Enzyme_commission_number n.a. _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 'calponin h1 131-228' 1 $calponin A . yes native no no 1 n.a. n.a. 15719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calponin _Entity.Sf_category entity _Entity.Sf_framecode calponin _Entity.Entry_ID 15719 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calponin _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 ; AKTKGNKVNVGVKYAEKQER RFEPEKLREGRNIIGLQMGI NKFASQQGMTAYGTRRHLYD PKLGTDQPLDQATISLQMGT NKGASQAGMTAPGTKRQI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'the first residue has number 131' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'actin + calmodulin binding site' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10807.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 GB AAF18235 . "calponin [Mustela putorius furo]" . . . . . 88.78 169 97.70 98.85 1.19e-53 . . . . 15719 1 2 no GB EDL25252 . "calponin 1, isoform CRA_a, partial [Mus musculus]" . . . . . 88.78 234 97.70 97.70 2.17e-52 . . . . 15719 1 3 no GB EDL78231 . "calponin 1, isoform CRA_b [Rattus norvegicus]" . . . . . 88.78 247 97.70 97.70 2.43e-52 . . . . 15719 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'actin binding' 15719 1 'regulation of smooth muscle contraction' 15719 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 1 131 ALA . 15719 1 2 132 LYS . 15719 1 3 133 THR . 15719 1 4 134 LYS . 15719 1 5 135 GLY . 15719 1 6 136 ASN . 15719 1 7 137 LYS . 15719 1 8 138 VAL . 15719 1 9 139 ASN . 15719 1 10 140 VAL . 15719 1 11 141 GLY . 15719 1 12 142 VAL . 15719 1 13 143 LYS . 15719 1 14 144 TYR . 15719 1 15 145 ALA . 15719 1 16 146 GLU . 15719 1 17 147 LYS . 15719 1 18 148 GLN . 15719 1 19 149 GLU . 15719 1 20 150 ARG . 15719 1 21 151 ARG . 15719 1 22 152 PHE . 15719 1 23 153 GLU . 15719 1 24 154 PRO . 15719 1 25 155 GLU . 15719 1 26 156 LYS . 15719 1 27 157 LEU . 15719 1 28 158 ARG . 15719 1 29 159 GLU . 15719 1 30 160 GLY . 15719 1 31 161 ARG . 15719 1 32 162 ASN . 15719 1 33 163 ILE . 15719 1 34 164 ILE . 15719 1 35 165 GLY . 15719 1 36 166 LEU . 15719 1 37 167 GLN . 15719 1 38 168 MET . 15719 1 39 169 GLY . 15719 1 40 170 ILE . 15719 1 41 171 ASN . 15719 1 42 172 LYS . 15719 1 43 173 PHE . 15719 1 44 174 ALA . 15719 1 45 175 SER . 15719 1 46 176 GLN . 15719 1 47 177 GLN . 15719 1 48 178 GLY . 15719 1 49 179 MET . 15719 1 50 180 THR . 15719 1 51 181 ALA . 15719 1 52 182 TYR . 15719 1 53 183 GLY . 15719 1 54 184 THR . 15719 1 55 185 ARG . 15719 1 56 186 ARG . 15719 1 57 187 HIS . 15719 1 58 188 LEU . 15719 1 59 189 TYR . 15719 1 60 190 ASP . 15719 1 61 191 PRO . 15719 1 62 192 LYS . 15719 1 63 193 LEU . 15719 1 64 194 GLY . 15719 1 65 195 THR . 15719 1 66 196 ASP . 15719 1 67 197 GLN . 15719 1 68 198 PRO . 15719 1 69 199 LEU . 15719 1 70 200 ASP . 15719 1 71 201 GLN . 15719 1 72 202 ALA . 15719 1 73 203 THR . 15719 1 74 204 ILE . 15719 1 75 205 SER . 15719 1 76 206 LEU . 15719 1 77 207 GLN . 15719 1 78 208 MET . 15719 1 79 209 GLY . 15719 1 80 210 THR . 15719 1 81 211 ASN . 15719 1 82 212 LYS . 15719 1 83 213 GLY . 15719 1 84 214 ALA . 15719 1 85 215 SER . 15719 1 86 216 GLN . 15719 1 87 217 ALA . 15719 1 88 218 GLY . 15719 1 89 219 MET . 15719 1 90 220 THR . 15719 1 91 221 ALA . 15719 1 92 222 PRO . 15719 1 93 223 GLY . 15719 1 94 224 THR . 15719 1 95 225 LYS . 15719 1 96 226 ARG . 15719 1 97 227 GLN . 15719 1 98 228 ILE . 15719 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 . ALA 1 1 15719 1 . LYS 2 2 15719 1 . THR 3 3 15719 1 . LYS 4 4 15719 1 . GLY 5 5 15719 1 . ASN 6 6 15719 1 . LYS 7 7 15719 1 . VAL 8 8 15719 1 . ASN 9 9 15719 1 . VAL 10 10 15719 1 . GLY 11 11 15719 1 . VAL 12 12 15719 1 . LYS 13 13 15719 1 . TYR 14 14 15719 1 . ALA 15 15 15719 1 . GLU 16 16 15719 1 . LYS 17 17 15719 1 . GLN 18 18 15719 1 . GLU 19 19 15719 1 . ARG 20 20 15719 1 . ARG 21 21 15719 1 . PHE 22 22 15719 1 . GLU 23 23 15719 1 . PRO 24 24 15719 1 . GLU 25 25 15719 1 . LYS 26 26 15719 1 . LEU 27 27 15719 1 . ARG 28 28 15719 1 . GLU 29 29 15719 1 . GLY 30 30 15719 1 . ARG 31 31 15719 1 . ASN 32 32 15719 1 . ILE 33 33 15719 1 . ILE 34 34 15719 1 . GLY 35 35 15719 1 . LEU 36 36 15719 1 . GLN 37 37 15719 1 . MET 38 38 15719 1 . GLY 39 39 15719 1 . ILE 40 40 15719 1 . ASN 41 41 15719 1 . LYS 42 42 15719 1 . PHE 43 43 15719 1 . ALA 44 44 15719 1 . SER 45 45 15719 1 . GLN 46 46 15719 1 . GLN 47 47 15719 1 . GLY 48 48 15719 1 . MET 49 49 15719 1 . THR 50 50 15719 1 . ALA 51 51 15719 1 . TYR 52 52 15719 1 . GLY 53 53 15719 1 . THR 54 54 15719 1 . ARG 55 55 15719 1 . ARG 56 56 15719 1 . HIS 57 57 15719 1 . LEU 58 58 15719 1 . TYR 59 59 15719 1 . ASP 60 60 15719 1 . PRO 61 61 15719 1 . LYS 62 62 15719 1 . LEU 63 63 15719 1 . GLY 64 64 15719 1 . THR 65 65 15719 1 . ASP 66 66 15719 1 . GLN 67 67 15719 1 . PRO 68 68 15719 1 . LEU 69 69 15719 1 . ASP 70 70 15719 1 . GLN 71 71 15719 1 . ALA 72 72 15719 1 . THR 73 73 15719 1 . ILE 74 74 15719 1 . SER 75 75 15719 1 . LEU 76 76 15719 1 . GLN 77 77 15719 1 . MET 78 78 15719 1 . GLY 79 79 15719 1 . THR 80 80 15719 1 . ASN 81 81 15719 1 . LYS 82 82 15719 1 . GLY 83 83 15719 1 . ALA 84 84 15719 1 . SER 85 85 15719 1 . GLN 86 86 15719 1 . ALA 87 87 15719 1 . GLY 88 88 15719 1 . MET 89 89 15719 1 . THR 90 90 15719 1 . ALA 91 91 15719 1 . PRO 92 92 15719 1 . GLY 93 93 15719 1 . THR 94 94 15719 1 . LYS 95 95 15719 1 . ARG 96 96 15719 1 . GLN 97 97 15719 1 . ILE 98 98 15719 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 15719 _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 $calponin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CNN1 . . . . 15719 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 15719 _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 $calponin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 n.a. . . . . . . . . . . . . . . pET21b . . . . . . 15719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15719 _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 calponin '[U-100% 15N]' . . 1 $calponin . . 1.5 . . mM 0.1 . . . 15719 1 2 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 15719 1 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 15719 1 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 15719 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15719 1 6 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15719 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.0005 . . . 15719 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15719 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 calponin '[U-100% 13C; U-100% 15N]' . . 1 $calponin . . 1.0 . . mM 0.1 . . . 15719 2 2 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 15719 2 3 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 15719 2 4 DTT 'natural abundance' . . . . . . 2 . . mM 0.05 . . . 15719 2 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15719 2 6 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15719 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.0005 . . . 15719 2 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 15719 _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' 0.4 0.01 M 15719 1 pH 7.0 0.05 pH 15719 1 pressure 1 . atm 15719 1 temperature 278 0.2 K 15719 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15719 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' 'Karlsruhe, Germany' www.bruker.com 15719 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15719 1 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 15719 _Software.ID 2 _Software.Name CCPN_analysis _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Cambridge, UK' http://www.ccpn.ac.uk/ 15719 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15719 2 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 15719 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15719 _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 . . . 15719 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 15719 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 6 '3D (H)C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 7 '3D HBHA(CBCA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 8 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15719 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 15719 _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 0.00 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15719 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15719 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15719 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 15719 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'comparing the values obtained from different manifestations of the same resonance within the same spectrum.' _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' . . . 15719 1 2 '3D 1H-15N NOESY' . . . 15719 1 3 '3D HNCACB' . . . 15719 1 4 '3D CBCA(CO)NH' . . . 15719 1 9 '3D 1H-15N TOCSY' . . . 15719 1 10 '3D HNCO' . . . 15719 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 2 $CCPN_analysis . . 15719 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 ALA HA H 1 3.612 0.005 . 1 . . . . 131 ALA HA . 15719 1 2 . 1 1 1 1 ALA HB1 H 1 1.361 0.005 . 1 . . . . 131 ALA HB1 . 15719 1 3 . 1 1 1 1 ALA HB2 H 1 1.361 0.005 . 1 . . . . 131 ALA HB2 . 15719 1 4 . 1 1 1 1 ALA HB3 H 1 1.361 0.005 . 1 . . . . 131 ALA HB3 . 15719 1 5 . 1 1 1 1 ALA CA C 13 50.701 0.05 . 1 . . . . 131 ALA CA . 15719 1 6 . 1 1 1 1 ALA CB C 13 17.357 0.05 . 1 . . . . 131 ALA CB . 15719 1 7 . 1 1 2 2 LYS H H 1 8.012 0.005 . 1 . . . . 132 LYS H . 15719 1 8 . 1 1 2 2 LYS HA H 1 4.000 0.005 . 1 . . . . 132 LYS HA . 15719 1 9 . 1 1 2 2 LYS HB2 H 1 1.746 0.005 . 2 . . . . 132 LYS HB2 . 15719 1 10 . 1 1 2 2 LYS HB3 H 1 2.107 0.005 . 2 . . . . 132 LYS HB3 . 15719 1 11 . 1 1 2 2 LYS CA C 13 54.590 0.05 . 1 . . . . 132 LYS CA . 15719 1 12 . 1 1 2 2 LYS CB C 13 27.276 0.05 . 1 . . . . 132 LYS CB . 15719 1 13 . 1 1 2 2 LYS CD C 13 31.156 0.05 . 1 . . . . 132 LYS CD . 15719 1 14 . 1 1 2 2 LYS CE C 13 40.367 0.05 . 1 . . . . 132 LYS CE . 15719 1 15 . 1 1 2 2 LYS CG C 13 22.982 0.05 . 1 . . . . 132 LYS CG . 15719 1 16 . 1 1 2 2 LYS N N 15 119.885 0.05 . 1 . . . . 132 LYS N . 15719 1 17 . 1 1 3 3 THR H H 1 7.938 0.005 . 1 . . . . 133 THR H . 15719 1 18 . 1 1 3 3 THR HA H 1 4.073 0.005 . 1 . . . . 133 THR HA . 15719 1 19 . 1 1 3 3 THR HB H 1 3.938 0.005 . 1 . . . . 133 THR HB . 15719 1 20 . 1 1 3 3 THR C C 13 176.356 0.05 . 1 . . . . 133 THR C . 15719 1 21 . 1 1 3 3 THR CA C 13 60.061 0.05 . 1 . . . . 133 THR CA . 15719 1 22 . 1 1 3 3 THR CB C 13 68.301 0.05 . 1 . . . . 133 THR CB . 15719 1 23 . 1 1 3 3 THR CG2 C 13 19.889 0.05 . 1 . . . . 133 THR CG2 . 15719 1 24 . 1 1 3 3 THR N N 15 115.340 0.05 . 1 . . . . 133 THR N . 15719 1 25 . 1 1 4 4 LYS H H 1 8.243 0.005 . 1 . . . . 134 LYS H . 15719 1 26 . 1 1 4 4 LYS HA H 1 3.991 0.005 . 1 . . . . 134 LYS HA . 15719 1 27 . 1 1 4 4 LYS HB2 H 1 1.552 0.005 . 1 . . . . 134 LYS HB2 . 15719 1 28 . 1 1 4 4 LYS HB3 H 1 1.552 0.005 . 1 . . . . 134 LYS HB3 . 15719 1 29 . 1 1 4 4 LYS CA C 13 54.466 0.05 . 1 . . . . 134 LYS CA . 15719 1 30 . 1 1 4 4 LYS CB C 13 31.320 0.05 . 1 . . . . 134 LYS CB . 15719 1 31 . 1 1 4 4 LYS N N 15 123.662 0.05 . 1 . . . . 134 LYS N . 15719 1 32 . 1 1 5 5 GLY H H 1 8.199 0.005 . 1 . . . . 135 GLY H . 15719 1 33 . 1 1 5 5 GLY HA2 H 1 3.663 0.005 . 1 . . . . 135 GLY HA2 . 15719 1 34 . 1 1 5 5 GLY HA3 H 1 3.663 0.005 . 1 . . . . 135 GLY HA3 . 15719 1 35 . 1 1 5 5 GLY C C 13 176.882 0.05 . 1 . . . . 135 GLY C . 15719 1 36 . 1 1 5 5 GLY CA C 13 43.530 0.05 . 1 . . . . 135 GLY CA . 15719 1 37 . 1 1 5 5 GLY N N 15 109.520 0.05 . 1 . . . . 135 GLY N . 15719 1 38 . 1 1 7 7 LYS HA H 1 4.034 0.005 . 1 . . . . 137 LYS HA . 15719 1 39 . 1 1 7 7 LYS HB2 H 1 1.507 0.005 . 1 . . . . 137 LYS HB2 . 15719 1 40 . 1 1 7 7 LYS HB3 H 1 1.507 0.005 . 1 . . . . 137 LYS HB3 . 15719 1 41 . 1 1 7 7 LYS C C 13 174.452 0.05 . 1 . . . . 137 LYS C . 15719 1 42 . 1 1 7 7 LYS CA C 13 54.640 0.05 . 1 . . . . 137 LYS CA . 15719 1 43 . 1 1 7 7 LYS CB C 13 31.224 0.05 . 1 . . . . 137 LYS CB . 15719 1 44 . 1 1 7 7 LYS CD C 13 27.359 0.05 . 1 . . . . 137 LYS CD . 15719 1 45 . 1 1 7 7 LYS CE C 13 40.348 0.05 . 1 . . . . 137 LYS CE . 15719 1 46 . 1 1 7 7 LYS CG C 13 22.994 0.05 . 1 . . . . 137 LYS CG . 15719 1 47 . 1 1 8 8 VAL H H 1 7.985 0.005 . 1 . . . . 138 VAL H . 15719 1 48 . 1 1 8 8 VAL HA H 1 3.778 0.005 . 1 . . . . 138 VAL HA . 15719 1 49 . 1 1 8 8 VAL HB H 1 1.735 0.005 . 1 . . . . 138 VAL HB . 15719 1 50 . 1 1 8 8 VAL HG11 H 1 0.620 0.005 . 1 . . . . 138 VAL HG11 . 15719 1 51 . 1 1 8 8 VAL HG12 H 1 0.620 0.005 . 1 . . . . 138 VAL HG12 . 15719 1 52 . 1 1 8 8 VAL HG13 H 1 0.620 0.005 . 1 . . . . 138 VAL HG13 . 15719 1 53 . 1 1 8 8 VAL HG21 H 1 0.620 0.005 . 1 . . . . 138 VAL HG21 . 15719 1 54 . 1 1 8 8 VAL HG22 H 1 0.620 0.005 . 1 . . . . 138 VAL HG22 . 15719 1 55 . 1 1 8 8 VAL HG23 H 1 0.620 0.005 . 1 . . . . 138 VAL HG23 . 15719 1 56 . 1 1 8 8 VAL C C 13 175.148 0.05 . 1 . . . . 138 VAL C . 15719 1 57 . 1 1 8 8 VAL CA C 13 60.560 0.05 . 1 . . . . 138 VAL CA . 15719 1 58 . 1 1 8 8 VAL CB C 13 31.087 0.05 . 1 . . . . 138 VAL CB . 15719 1 59 . 1 1 8 8 VAL CG1 C 13 18.850 0.05 . 1 . . . . 138 VAL CG1 . 15719 1 60 . 1 1 8 8 VAL CG2 C 13 18.850 0.05 . 1 . . . . 138 VAL CG2 . 15719 1 61 . 1 1 8 8 VAL N N 15 121.725 0.05 . 1 . . . . 138 VAL N . 15719 1 62 . 1 1 9 9 ASN H H 1 8.385 0.005 . 1 . . . . 139 ASN H . 15719 1 63 . 1 1 9 9 ASN HA H 1 4.444 0.005 . 1 . . . . 139 ASN HA . 15719 1 64 . 1 1 9 9 ASN HB2 H 1 2.431 0.005 . 1 . . . . 139 ASN HB2 . 15719 1 65 . 1 1 9 9 ASN HB3 H 1 2.431 0.005 . 1 . . . . 139 ASN HB3 . 15719 1 66 . 1 1 9 9 ASN C C 13 175.791 0.05 . 1 . . . . 139 ASN C . 15719 1 67 . 1 1 9 9 ASN CA C 13 51.363 0.05 . 1 . . . . 139 ASN CA . 15719 1 68 . 1 1 9 9 ASN CB C 13 37.165 0.05 . 1 . . . . 139 ASN CB . 15719 1 69 . 1 1 9 9 ASN N N 15 123.218 0.05 . 1 . . . . 139 ASN N . 15719 1 70 . 1 1 10 10 VAL H H 1 7.992 0.005 . 1 . . . . 140 VAL H . 15719 1 71 . 1 1 10 10 VAL HA H 1 3.840 0.005 . 1 . . . . 140 VAL HA . 15719 1 72 . 1 1 10 10 VAL HB H 1 1.830 0.005 . 1 . . . . 140 VAL HB . 15719 1 73 . 1 1 10 10 VAL HG11 H 1 0.638 0.005 . 1 . . . . 140 VAL HG11 . 15719 1 74 . 1 1 10 10 VAL HG12 H 1 0.638 0.005 . 1 . . . . 140 VAL HG12 . 15719 1 75 . 1 1 10 10 VAL HG13 H 1 0.638 0.005 . 1 . . . . 140 VAL HG13 . 15719 1 76 . 1 1 10 10 VAL HG21 H 1 0.638 0.005 . 1 . . . . 140 VAL HG21 . 15719 1 77 . 1 1 10 10 VAL HG22 H 1 0.638 0.005 . 1 . . . . 140 VAL HG22 . 15719 1 78 . 1 1 10 10 VAL HG23 H 1 0.638 0.005 . 1 . . . . 140 VAL HG23 . 15719 1 79 . 1 1 10 10 VAL C C 13 174.330 0.05 . 1 . . . . 140 VAL C . 15719 1 80 . 1 1 10 10 VAL CA C 13 60.759 0.05 . 1 . . . . 140 VAL CA . 15719 1 81 . 1 1 10 10 VAL CB C 13 30.920 0.05 . 1 . . . . 140 VAL CB . 15719 1 82 . 1 1 10 10 VAL CG1 C 13 18.395 0.05 . 2 . . . . 140 VAL CG1 . 15719 1 83 . 1 1 10 10 VAL CG2 C 13 19.179 0.05 . 2 . . . . 140 VAL CG2 . 15719 1 84 . 1 1 10 10 VAL N N 15 120.550 0.05 . 1 . . . . 140 VAL N . 15719 1 85 . 1 1 11 11 GLY H H 1 8.276 0.005 . 1 . . . . 141 GLY H . 15719 1 86 . 1 1 11 11 GLY HA2 H 1 3.672 0.005 . 1 . . . . 141 GLY HA2 . 15719 1 87 . 1 1 11 11 GLY HA3 H 1 3.672 0.005 . 1 . . . . 141 GLY HA3 . 15719 1 88 . 1 1 11 11 GLY C C 13 176.919 0.05 . 1 . . . . 141 GLY C . 15719 1 89 . 1 1 11 11 GLY CA C 13 43.398 0.05 . 1 . . . . 141 GLY CA . 15719 1 90 . 1 1 11 11 GLY N N 15 112.220 0.05 . 1 . . . . 141 GLY N . 15719 1 91 . 1 1 12 12 VAL H H 1 7.765 0.005 . 1 . . . . 142 VAL H . 15719 1 92 . 1 1 12 12 VAL HA H 1 3.771 0.005 . 1 . . . . 142 VAL HA . 15719 1 93 . 1 1 12 12 VAL HB H 1 1.687 0.005 . 1 . . . . 142 VAL HB . 15719 1 94 . 1 1 12 12 VAL HG11 H 1 0.522 0.005 . 1 . . . . 142 VAL HG11 . 15719 1 95 . 1 1 12 12 VAL HG12 H 1 0.522 0.005 . 1 . . . . 142 VAL HG12 . 15719 1 96 . 1 1 12 12 VAL HG13 H 1 0.522 0.005 . 1 . . . . 142 VAL HG13 . 15719 1 97 . 1 1 12 12 VAL HG21 H 1 0.583 0.005 . 1 . . . . 142 VAL HG21 . 15719 1 98 . 1 1 12 12 VAL HG22 H 1 0.583 0.005 . 1 . . . . 142 VAL HG22 . 15719 1 99 . 1 1 12 12 VAL HG23 H 1 0.583 0.005 . 1 . . . . 142 VAL HG23 . 15719 1 100 . 1 1 12 12 VAL C C 13 174.840 0.05 . 1 . . . . 142 VAL C . 15719 1 101 . 1 1 12 12 VAL CA C 13 60.747 0.05 . 1 . . . . 142 VAL CA . 15719 1 102 . 1 1 12 12 VAL CB C 13 31.013 0.05 . 1 . . . . 142 VAL CB . 15719 1 103 . 1 1 12 12 VAL CG1 C 13 18.925 0.05 . 1 . . . . 142 VAL CG1 . 15719 1 104 . 1 1 12 12 VAL CG2 C 13 18.925 0.05 . 1 . . . . 142 VAL CG2 . 15719 1 105 . 1 1 12 12 VAL N N 15 119.889 0.05 . 1 . . . . 142 VAL N . 15719 1 106 . 1 1 13 13 LYS H H 1 8.153 0.005 . 1 . . . . 143 LYS H . 15719 1 107 . 1 1 13 13 LYS HA H 1 3.971 0.005 . 1 . . . . 143 LYS HA . 15719 1 108 . 1 1 13 13 LYS HB2 H 1 1.378 0.005 . 1 . . . . 143 LYS HB2 . 15719 1 109 . 1 1 13 13 LYS HB3 H 1 1.378 0.005 . 1 . . . . 143 LYS HB3 . 15719 1 110 . 1 1 13 13 LYS C C 13 174.758 0.05 . 1 . . . . 143 LYS C . 15719 1 111 . 1 1 13 13 LYS CA C 13 54.451 0.05 . 1 . . . . 143 LYS CA . 15719 1 112 . 1 1 13 13 LYS CB C 13 31.233 0.05 . 1 . . . . 143 LYS CB . 15719 1 113 . 1 1 13 13 LYS CD C 13 27.298 0.05 . 1 . . . . 143 LYS CD . 15719 1 114 . 1 1 13 13 LYS CE C 13 40.316 0.05 . 1 . . . . 143 LYS CE . 15719 1 115 . 1 1 13 13 LYS CG C 13 22.994 0.05 . 1 . . . . 143 LYS CG . 15719 1 116 . 1 1 13 13 LYS N N 15 125.132 0.05 . 1 . . . . 143 LYS N . 15719 1 117 . 1 1 14 14 TYR H H 1 8.043 0.005 . 1 . . . . 144 TYR H . 15719 1 118 . 1 1 14 14 TYR HA H 1 4.211 0.005 . 1 . . . . 144 TYR HA . 15719 1 119 . 1 1 14 14 TYR HB2 H 1 2.611 0.005 . 2 . . . . 144 TYR HB2 . 15719 1 120 . 1 1 14 14 TYR HB3 H 1 2.734 0.005 . 2 . . . . 144 TYR HB3 . 15719 1 121 . 1 1 14 14 TYR HD1 H 1 6.811 0.005 . 3 . . . . 144 TYR HD1 . 15719 1 122 . 1 1 14 14 TYR HD2 H 1 6.811 0.005 . 3 . . . . 144 TYR HD2 . 15719 1 123 . 1 1 14 14 TYR C C 13 175.454 0.05 . 1 . . . . 144 TYR C . 15719 1 124 . 1 1 14 14 TYR CA C 13 56.330 0.05 . 1 . . . . 144 TYR CA . 15719 1 125 . 1 1 14 14 TYR CB C 13 37.199 0.05 . 1 . . . . 144 TYR CB . 15719 1 126 . 1 1 14 14 TYR N N 15 122.097 0.05 . 1 . . . . 144 TYR N . 15719 1 127 . 1 1 15 15 ALA H H 1 7.980 0.005 . 1 . . . . 145 ALA H . 15719 1 128 . 1 1 15 15 ALA HA H 1 3.967 0.005 . 1 . . . . 145 ALA HA . 15719 1 129 . 1 1 15 15 ALA HB1 H 1 1.043 0.005 . 1 . . . . 145 ALA HB1 . 15719 1 130 . 1 1 15 15 ALA HB2 H 1 1.043 0.005 . 1 . . . . 145 ALA HB2 . 15719 1 131 . 1 1 15 15 ALA HB3 H 1 1.043 0.005 . 1 . . . . 145 ALA HB3 . 15719 1 132 . 1 1 15 15 ALA C C 13 173.603 0.05 . 1 . . . . 145 ALA C . 15719 1 133 . 1 1 15 15 ALA CA C 13 50.578 0.05 . 1 . . . . 145 ALA CA . 15719 1 134 . 1 1 15 15 ALA CB C 13 17.660 0.05 . 1 . . . . 145 ALA CB . 15719 1 135 . 1 1 15 15 ALA N N 15 125.698 0.05 . 1 . . . . 145 ALA N . 15719 1 136 . 1 1 16 16 GLU H H 1 8.119 0.005 . 1 . . . . 146 GLU H . 15719 1 137 . 1 1 16 16 GLU HA H 1 4.272 0.005 . 1 . . . . 146 GLU HA . 15719 1 138 . 1 1 16 16 GLU HB2 H 1 1.679 0.005 . 1 . . . . 146 GLU HB2 . 15719 1 139 . 1 1 16 16 GLU HB3 H 1 1.679 0.005 . 1 . . . . 146 GLU HB3 . 15719 1 140 . 1 1 16 16 GLU HG2 H 1 2.015 0.005 . 1 . . . . 146 GLU HG2 . 15719 1 141 . 1 1 16 16 GLU HG3 H 1 2.015 0.005 . 1 . . . . 146 GLU HG3 . 15719 1 142 . 1 1 16 16 GLU CA C 13 54.862 0.05 . 1 . . . . 146 GLU CA . 15719 1 143 . 1 1 16 16 GLU CB C 13 28.575 0.05 . 1 . . . . 146 GLU CB . 15719 1 144 . 1 1 16 16 GLU N N 15 120.507 0.05 . 1 . . . . 146 GLU N . 15719 1 145 . 1 1 18 18 GLN HA H 1 4.028 0.005 . 1 . . . . 148 GLN HA . 15719 1 146 . 1 1 18 18 GLN HB2 H 1 1.639 0.005 . 2 . . . . 148 GLN HB2 . 15719 1 147 . 1 1 18 18 GLN HB3 H 1 1.753 0.005 . 2 . . . . 148 GLN HB3 . 15719 1 148 . 1 1 18 18 GLN HG2 H 1 1.961 0.005 . 2 . . . . 148 GLN HG2 . 15719 1 149 . 1 1 18 18 GLN HG3 H 1 2.080 0.005 . 2 . . . . 148 GLN HG3 . 15719 1 150 . 1 1 18 18 GLN CG C 13 32.040 0.05 . 1 . . . . 148 GLN CG . 15719 1 151 . 1 1 19 19 GLU H H 1 8.311 0.005 . 1 . . . . 149 GLU H . 15719 1 152 . 1 1 19 19 GLU HA H 1 4.004 0.005 . 1 . . . . 149 GLU HA . 15719 1 153 . 1 1 19 19 GLU HB2 H 1 1.650 0.005 . 2 . . . . 149 GLU HB2 . 15719 1 154 . 1 1 19 19 GLU HB3 H 1 1.726 0.005 . 2 . . . . 149 GLU HB3 . 15719 1 155 . 1 1 19 19 GLU HG2 H 1 1.985 0.005 . 1 . . . . 149 GLU HG2 . 15719 1 156 . 1 1 19 19 GLU HG3 H 1 1.985 0.005 . 1 . . . . 149 GLU HG3 . 15719 1 157 . 1 1 19 19 GLU C C 13 174.603 0.05 . 1 . . . . 149 GLU C . 15719 1 158 . 1 1 19 19 GLU CA C 13 54.779 0.05 . 1 . . . . 149 GLU CA . 15719 1 159 . 1 1 19 19 GLU CB C 13 28.641 0.05 . 1 . . . . 149 GLU CB . 15719 1 160 . 1 1 19 19 GLU CG C 13 34.411 0.05 . 1 . . . . 149 GLU CG . 15719 1 161 . 1 1 19 19 GLU N N 15 122.853 0.05 . 1 . . . . 149 GLU N . 15719 1 162 . 1 1 20 20 ARG H H 1 8.233 0.005 . 1 . . . . 150 ARG H . 15719 1 163 . 1 1 20 20 ARG HA H 1 3.960 0.005 . 1 . . . . 150 ARG HA . 15719 1 164 . 1 1 20 20 ARG HB2 H 1 1.441 0.005 . 1 . . . . 150 ARG HB2 . 15719 1 165 . 1 1 20 20 ARG HB3 H 1 1.441 0.005 . 1 . . . . 150 ARG HB3 . 15719 1 166 . 1 1 20 20 ARG HD2 H 1 2.854 0.005 . 1 . . . . 150 ARG HD2 . 15719 1 167 . 1 1 20 20 ARG HD3 H 1 2.854 0.005 . 1 . . . . 150 ARG HD3 . 15719 1 168 . 1 1 20 20 ARG C C 13 174.969 0.05 . 1 . . . . 150 ARG C . 15719 1 169 . 1 1 20 20 ARG CA C 13 54.373 0.05 . 1 . . . . 150 ARG CA . 15719 1 170 . 1 1 20 20 ARG CB C 13 28.917 0.05 . 1 . . . . 150 ARG CB . 15719 1 171 . 1 1 20 20 ARG CD C 13 41.613 0.05 . 1 . . . . 150 ARG CD . 15719 1 172 . 1 1 20 20 ARG CG C 13 25.417 0.05 . 1 . . . . 150 ARG CG . 15719 1 173 . 1 1 20 20 ARG N N 15 122.813 0.05 . 1 . . . . 150 ARG N . 15719 1 174 . 1 1 21 21 ARG H H 1 8.171 0.005 . 1 . . . . 151 ARG H . 15719 1 175 . 1 1 21 21 ARG HA H 1 3.989 0.005 . 1 . . . . 151 ARG HA . 15719 1 176 . 1 1 21 21 ARG HB2 H 1 1.419 0.005 . 1 . . . . 151 ARG HB2 . 15719 1 177 . 1 1 21 21 ARG HB3 H 1 1.419 0.005 . 1 . . . . 151 ARG HB3 . 15719 1 178 . 1 1 21 21 ARG HD2 H 1 2.849 0.005 . 1 . . . . 151 ARG HD2 . 15719 1 179 . 1 1 21 21 ARG HD3 H 1 2.849 0.005 . 1 . . . . 151 ARG HD3 . 15719 1 180 . 1 1 21 21 ARG HG2 H 1 1.222 0.005 . 1 . . . . 151 ARG HG2 . 15719 1 181 . 1 1 21 21 ARG HG3 H 1 1.222 0.005 . 1 . . . . 151 ARG HG3 . 15719 1 182 . 1 1 21 21 ARG C C 13 175.102 0.05 . 1 . . . . 151 ARG C . 15719 1 183 . 1 1 21 21 ARG CA C 13 54.263 0.05 . 1 . . . . 151 ARG CA . 15719 1 184 . 1 1 21 21 ARG CB C 13 29.179 0.05 . 1 . . . . 151 ARG CB . 15719 1 185 . 1 1 21 21 ARG CD C 13 41.599 0.05 . 1 . . . . 151 ARG CD . 15719 1 186 . 1 1 21 21 ARG CG C 13 25.530 0.05 . 1 . . . . 151 ARG CG . 15719 1 187 . 1 1 21 21 ARG N N 15 122.749 0.05 . 1 . . . . 151 ARG N . 15719 1 188 . 1 1 22 22 PHE H H 1 8.193 0.005 . 1 . . . . 152 PHE H . 15719 1 189 . 1 1 22 22 PHE HA H 1 4.365 0.005 . 1 . . . . 152 PHE HA . 15719 1 190 . 1 1 22 22 PHE HB2 H 1 2.736 0.005 . 1 . . . . 152 PHE HB2 . 15719 1 191 . 1 1 22 22 PHE HB3 H 1 2.736 0.005 . 1 . . . . 152 PHE HB3 . 15719 1 192 . 1 1 22 22 PHE HD1 H 1 6.943 0.005 . 3 . . . . 152 PHE HD1 . 15719 1 193 . 1 1 22 22 PHE HD2 H 1 6.943 0.005 . 3 . . . . 152 PHE HD2 . 15719 1 194 . 1 1 22 22 PHE C C 13 175.792 0.05 . 1 . . . . 152 PHE C . 15719 1 195 . 1 1 22 22 PHE CA C 13 55.777 0.05 . 1 . . . . 152 PHE CA . 15719 1 196 . 1 1 22 22 PHE CB C 13 37.954 0.05 . 1 . . . . 152 PHE CB . 15719 1 197 . 1 1 22 22 PHE N N 15 121.937 0.05 . 1 . . . . 152 PHE N . 15719 1 198 . 1 1 23 23 GLU H H 1 8.063 0.005 . 1 . . . . 153 GLU H . 15719 1 199 . 1 1 23 23 GLU HA H 1 4.342 0.005 . 1 . . . . 153 GLU HA . 15719 1 200 . 1 1 23 23 GLU HB2 H 1 1.542 0.005 . 2 . . . . 153 GLU HB2 . 15719 1 201 . 1 1 23 23 GLU HB3 H 1 1.684 0.005 . 2 . . . . 153 GLU HB3 . 15719 1 202 . 1 1 23 23 GLU HG2 H 1 1.922 0.005 . 1 . . . . 153 GLU HG2 . 15719 1 203 . 1 1 23 23 GLU HG3 H 1 1.922 0.005 . 1 . . . . 153 GLU HG3 . 15719 1 204 . 1 1 23 23 GLU C C 13 176.987 0.05 . 1 . . . . 153 GLU C . 15719 1 205 . 1 1 23 23 GLU CA C 13 52.166 0.05 . 1 . . . . 153 GLU CA . 15719 1 206 . 1 1 23 23 GLU CB C 13 28.363 0.05 . 1 . . . . 153 GLU CB . 15719 1 207 . 1 1 23 23 GLU N N 15 124.523 0.05 . 1 . . . . 153 GLU N . 15719 1 208 . 1 1 24 24 PRO HA H 1 4.009 0.005 . 1 . . . . 154 PRO HA . 15719 1 209 . 1 1 24 24 PRO HB2 H 1 1.593 0.005 . 2 . . . . 154 PRO HB2 . 15719 1 210 . 1 1 24 24 PRO HB3 H 1 1.999 0.005 . 2 . . . . 154 PRO HB3 . 15719 1 211 . 1 1 24 24 PRO HD2 H 1 3.348 0.005 . 1 . . . . 154 PRO HD2 . 15719 1 212 . 1 1 24 24 PRO HD3 H 1 3.344 0.005 . 1 . . . . 154 PRO HD3 . 15719 1 213 . 1 1 24 24 PRO CA C 13 61.600 0.05 . 1 . . . . 154 PRO CA . 15719 1 214 . 1 1 24 24 PRO CB C 13 30.412 0.05 . 1 . . . . 154 PRO CB . 15719 1 215 . 1 1 24 24 PRO CD C 13 49.110 0.05 . 1 . . . . 154 PRO CD . 15719 1 216 . 1 1 24 24 PRO CG C 13 25.641 0.05 . 1 . . . . 154 PRO CG . 15719 1 217 . 1 1 25 25 GLU H H 1 8.459 0.005 . 1 . . . . 155 GLU H . 15719 1 218 . 1 1 25 25 GLU HA H 1 3.860 0.005 . 1 . . . . 155 GLU HA . 15719 1 219 . 1 1 25 25 GLU HB2 H 1 1.687 0.005 . 1 . . . . 155 GLU HB2 . 15719 1 220 . 1 1 25 25 GLU HB3 H 1 1.687 0.005 . 1 . . . . 155 GLU HB3 . 15719 1 221 . 1 1 25 25 GLU HG2 H 1 2.010 0.005 . 1 . . . . 155 GLU HG2 . 15719 1 222 . 1 1 25 25 GLU HG3 H 1 2.010 0.005 . 1 . . . . 155 GLU HG3 . 15719 1 223 . 1 1 25 25 GLU C C 13 174.042 0.05 . 1 . . . . 155 GLU C . 15719 1 224 . 1 1 25 25 GLU CA C 13 55.323 0.05 . 1 . . . . 155 GLU CA . 15719 1 225 . 1 1 25 25 GLU CB C 13 28.239 0.05 . 1 . . . . 155 GLU CB . 15719 1 226 . 1 1 25 25 GLU CG C 13 34.564 0.05 . 1 . . . . 155 GLU CG . 15719 1 227 . 1 1 25 25 GLU N N 15 120.962 0.05 . 1 . . . . 155 GLU N . 15719 1 228 . 1 1 26 26 LYS H H 1 8.085 0.005 . 1 . . . . 156 LYS H . 15719 1 229 . 1 1 26 26 LYS HA H 1 3.944 0.005 . 1 . . . . 156 LYS HA . 15719 1 230 . 1 1 26 26 LYS HB2 H 1 1.477 0.005 . 1 . . . . 156 LYS HB2 . 15719 1 231 . 1 1 26 26 LYS HB3 H 1 1.477 0.005 . 1 . . . . 156 LYS HB3 . 15719 1 232 . 1 1 26 26 LYS C C 13 174.130 0.05 . 1 . . . . 156 LYS C . 15719 1 233 . 1 1 26 26 LYS CA C 13 54.740 0.05 . 1 . . . . 156 LYS CA . 15719 1 234 . 1 1 26 26 LYS CB C 13 31.135 0.05 . 1 . . . . 156 LYS CB . 15719 1 235 . 1 1 26 26 LYS CD C 13 27.252 0.05 . 1 . . . . 156 LYS CD . 15719 1 236 . 1 1 26 26 LYS CE C 13 40.361 0.05 . 1 . . . . 156 LYS CE . 15719 1 237 . 1 1 26 26 LYS CG C 13 23.273 0.05 . 1 . . . . 156 LYS CG . 15719 1 238 . 1 1 26 26 LYS N N 15 122.428 0.05 . 1 . . . . 156 LYS N . 15719 1 239 . 1 1 27 27 LEU H H 1 7.985 0.005 . 1 . . . . 157 LEU H . 15719 1 240 . 1 1 27 27 LEU HA H 1 4.010 0.005 . 1 . . . . 157 LEU HA . 15719 1 241 . 1 1 27 27 LEU HB2 H 1 1.347 0.005 . 1 . . . . 157 LEU HB2 . 15719 1 242 . 1 1 27 27 LEU HB3 H 1 1.347 0.005 . 1 . . . . 157 LEU HB3 . 15719 1 243 . 1 1 27 27 LEU HD11 H 1 0.591 0.005 . 1 . . . . 157 LEU HD11 . 15719 1 244 . 1 1 27 27 LEU HD12 H 1 0.591 0.005 . 1 . . . . 157 LEU HD12 . 15719 1 245 . 1 1 27 27 LEU HD13 H 1 0.591 0.005 . 1 . . . . 157 LEU HD13 . 15719 1 246 . 1 1 27 27 LEU HD21 H 1 0.591 0.005 . 1 . . . . 157 LEU HD21 . 15719 1 247 . 1 1 27 27 LEU HD22 H 1 0.591 0.005 . 1 . . . . 157 LEU HD22 . 15719 1 248 . 1 1 27 27 LEU HD23 H 1 0.591 0.005 . 1 . . . . 157 LEU HD23 . 15719 1 249 . 1 1 27 27 LEU C C 13 172.769 0.05 . 1 . . . . 157 LEU C . 15719 1 250 . 1 1 27 27 LEU CB C 13 43.367 0.05 . 1 . . . . 157 LEU CB . 15719 1 251 . 1 1 27 27 LEU N N 15 122.956 0.05 . 1 . . . . 157 LEU N . 15719 1 252 . 1 1 29 29 GLU HA H 1 4.193 0.005 . 1 . . . . 159 GLU HA . 15719 1 253 . 1 1 29 29 GLU HB2 H 1 1.792 0.005 . 1 . . . . 159 GLU HB2 . 15719 1 254 . 1 1 29 29 GLU HB3 H 1 1.792 0.005 . 1 . . . . 159 GLU HB3 . 15719 1 255 . 1 1 29 29 GLU HG2 H 1 2.007 0.005 . 1 . . . . 159 GLU HG2 . 15719 1 256 . 1 1 29 29 GLU HG3 H 1 2.007 0.005 . 1 . . . . 159 GLU HG3 . 15719 1 257 . 1 1 29 29 GLU CA C 13 54.988 0.05 . 1 . . . . 159 GLU CA . 15719 1 258 . 1 1 29 29 GLU CB C 13 28.538 0.05 . 1 . . . . 159 GLU CB . 15719 1 259 . 1 1 30 30 GLY H H 1 8.270 0.005 . 1 . . . . 160 GLY H . 15719 1 260 . 1 1 30 30 GLY HA2 H 1 3.905 0.005 . 1 . . . . 160 GLY HA2 . 15719 1 261 . 1 1 30 30 GLY HA3 H 1 3.905 0.005 . 1 . . . . 160 GLY HA3 . 15719 1 262 . 1 1 30 30 GLY C C 13 176.649 0.05 . 1 . . . . 160 GLY C . 15719 1 263 . 1 1 30 30 GLY CA C 13 43.740 0.05 . 1 . . . . 160 GLY CA . 15719 1 264 . 1 1 30 30 GLY N N 15 109.810 0.05 . 1 . . . . 160 GLY N . 15719 1 265 . 1 1 31 31 ARG H H 1 7.954 0.005 . 1 . . . . 161 ARG H . 15719 1 266 . 1 1 31 31 ARG HA H 1 3.659 0.005 . 1 . . . . 161 ARG HA . 15719 1 267 . 1 1 31 31 ARG HB2 H 1 1.499 0.005 . 1 . . . . 161 ARG HB2 . 15719 1 268 . 1 1 31 31 ARG HB3 H 1 1.499 0.005 . 1 . . . . 161 ARG HB3 . 15719 1 269 . 1 1 31 31 ARG C C 13 174.880 0.05 . 1 . . . . 161 ARG C . 15719 1 270 . 1 1 31 31 ARG CA C 13 54.415 0.05 . 1 . . . . 161 ARG CA . 15719 1 271 . 1 1 31 31 ARG CB C 13 29.078 0.05 . 1 . . . . 161 ARG CB . 15719 1 272 . 1 1 31 31 ARG CD C 13 41.578 0.05 . 1 . . . . 161 ARG CD . 15719 1 273 . 1 1 31 31 ARG CG C 13 25.394 0.05 . 1 . . . . 161 ARG CG . 15719 1 274 . 1 1 31 31 ARG N N 15 119.934 0.05 . 1 . . . . 161 ARG N . 15719 1 275 . 1 1 32 32 ASN H H 1 8.304 0.005 . 1 . . . . 162 ASN H . 15719 1 276 . 1 1 32 32 ASN HA H 1 4.409 0.005 . 1 . . . . 162 ASN HA . 15719 1 277 . 1 1 32 32 ASN HB2 H 1 2.480 0.005 . 1 . . . . 162 ASN HB2 . 15719 1 278 . 1 1 32 32 ASN HB3 H 1 2.485 0.005 . 1 . . . . 162 ASN HB3 . 15719 1 279 . 1 1 32 32 ASN C C 13 175.867 0.05 . 1 . . . . 162 ASN C . 15719 1 280 . 1 1 32 32 ASN CA C 13 51.567 0.05 . 1 . . . . 162 ASN CA . 15719 1 281 . 1 1 32 32 ASN CB C 13 36.894 0.05 . 1 . . . . 162 ASN CB . 15719 1 282 . 1 1 32 32 ASN N N 15 119.604 0.05 . 1 . . . . 162 ASN N . 15719 1 283 . 1 1 33 33 ILE H H 1 7.908 0.005 . 1 . . . . 163 ILE H . 15719 1 284 . 1 1 33 33 ILE HA H 1 3.852 0.005 . 1 . . . . 163 ILE HA . 15719 1 285 . 1 1 33 33 ILE HB H 1 1.596 0.005 . 1 . . . . 163 ILE HB . 15719 1 286 . 1 1 33 33 ILE C C 13 174.507 0.05 . 1 . . . . 163 ILE C . 15719 1 287 . 1 1 33 33 ILE CA C 13 59.663 0.05 . 1 . . . . 163 ILE CA . 15719 1 288 . 1 1 33 33 ILE CB C 13 36.502 0.05 . 1 . . . . 163 ILE CB . 15719 1 289 . 1 1 33 33 ILE CD1 C 13 11.140 0.05 . 1 . . . . 163 ILE CD1 . 15719 1 290 . 1 1 33 33 ILE CG1 C 13 25.814 0.05 . 1 . . . . 163 ILE CG1 . 15719 1 291 . 1 1 33 33 ILE CG2 C 13 15.850 0.05 . 1 . . . . 163 ILE CG2 . 15719 1 292 . 1 1 33 33 ILE N N 15 121.351 0.05 . 1 . . . . 163 ILE N . 15719 1 293 . 1 1 34 34 ILE H H 1 8.013 0.005 . 1 . . . . 164 ILE H . 15719 1 294 . 1 1 34 34 ILE HA H 1 3.853 0.005 . 1 . . . . 164 ILE HA . 15719 1 295 . 1 1 34 34 ILE HB H 1 1.579 0.005 . 1 . . . . 164 ILE HB . 15719 1 296 . 1 1 34 34 ILE C C 13 174.059 0.05 . 1 . . . . 164 ILE C . 15719 1 297 . 1 1 34 34 ILE CA C 13 59.828 0.05 . 1 . . . . 164 ILE CA . 15719 1 298 . 1 1 34 34 ILE CB C 13 36.492 0.05 . 1 . . . . 164 ILE CB . 15719 1 299 . 1 1 34 34 ILE CD1 C 13 10.971 0.05 . 1 . . . . 164 ILE CD1 . 15719 1 300 . 1 1 34 34 ILE CG1 C 13 25.958 0.05 . 1 . . . . 164 ILE CG1 . 15719 1 301 . 1 1 34 34 ILE CG2 C 13 15.703 0.05 . 1 . . . . 164 ILE CG2 . 15719 1 302 . 1 1 34 34 ILE N N 15 125.079 0.05 . 1 . . . . 164 ILE N . 15719 1 303 . 1 1 35 35 GLY H H 1 8.216 0.005 . 1 . . . . 165 GLY H . 15719 1 304 . 1 1 35 35 GLY HA2 H 1 3.642 0.005 . 1 . . . . 165 GLY HA2 . 15719 1 305 . 1 1 35 35 GLY HA3 H 1 3.642 0.005 . 1 . . . . 165 GLY HA3 . 15719 1 306 . 1 1 35 35 GLY C C 13 176.807 0.05 . 1 . . . . 165 GLY C . 15719 1 307 . 1 1 35 35 GLY CA C 13 43.509 0.05 . 1 . . . . 165 GLY CA . 15719 1 308 . 1 1 35 35 GLY N N 15 112.598 0.05 . 1 . . . . 165 GLY N . 15719 1 309 . 1 1 36 36 LEU H H 1 8.113 0.005 . 1 . . . . 166 LEU H . 15719 1 310 . 1 1 36 36 LEU HA H 1 3.594 0.005 . 1 . . . . 166 LEU HA . 15719 1 311 . 1 1 36 36 LEU HB2 H 1 1.586 0.005 . 1 . . . . 166 LEU HB2 . 15719 1 312 . 1 1 36 36 LEU HB3 H 1 1.586 0.005 . 1 . . . . 166 LEU HB3 . 15719 1 313 . 1 1 36 36 LEU CA C 13 51.435 0.05 . 1 . . . . 166 LEU CA . 15719 1 314 . 1 1 36 36 LEU CB C 13 37.290 0.05 . 1 . . . . 166 LEU CB . 15719 1 315 . 1 1 36 36 LEU N N 15 118.489 0.05 . 1 . . . . 166 LEU N . 15719 1 316 . 1 1 38 38 MET HA H 1 4.023 0.005 . 1 . . . . 168 MET HA . 15719 1 317 . 1 1 38 38 MET HB2 H 1 1.824 0.005 . 1 . . . . 168 MET HB2 . 15719 1 318 . 1 1 38 38 MET HB3 H 1 1.824 0.005 . 1 . . . . 168 MET HB3 . 15719 1 319 . 1 1 38 38 MET CA C 13 53.950 0.05 . 1 . . . . 168 MET CA . 15719 1 320 . 1 1 38 38 MET CB C 13 30.701 0.05 . 1 . . . . 168 MET CB . 15719 1 321 . 1 1 39 39 GLY H H 1 8.243 0.005 . 1 . . . . 169 GLY H . 15719 1 322 . 1 1 39 39 GLY HA2 H 1 3.665 0.005 . 1 . . . . 169 GLY HA2 . 15719 1 323 . 1 1 39 39 GLY HA3 H 1 3.665 0.005 . 1 . . . . 169 GLY HA3 . 15719 1 324 . 1 1 39 39 GLY CA C 13 43.396 0.05 . 1 . . . . 169 GLY CA . 15719 1 325 . 1 1 39 39 GLY N N 15 110.242 0.05 . 1 . . . . 169 GLY N . 15719 1 326 . 1 1 40 40 ILE H H 1 7.854 0.005 . 1 . . . . 170 ILE H . 15719 1 327 . 1 1 40 40 ILE HA H 1 4.027 0.005 . 1 . . . . 170 ILE HA . 15719 1 328 . 1 1 40 40 ILE HB H 1 1.306 0.005 . 1 . . . . 170 ILE HB . 15719 1 329 . 1 1 40 40 ILE N N 15 121.497 0.05 . 1 . . . . 170 ILE N . 15719 1 330 . 1 1 41 41 ASN H H 1 8.256 0.005 . 1 . . . . 171 ASN H . 15719 1 331 . 1 1 41 41 ASN HA H 1 4.692 0.005 . 1 . . . . 171 ASN HA . 15719 1 332 . 1 1 41 41 ASN HB2 H 1 2.490 0.005 . 1 . . . . 171 ASN HB2 . 15719 1 333 . 1 1 41 41 ASN HB3 H 1 2.490 0.005 . 1 . . . . 171 ASN HB3 . 15719 1 334 . 1 1 41 41 ASN CA C 13 54.075 0.05 . 1 . . . . 171 ASN CA . 15719 1 335 . 1 1 41 41 ASN CB C 13 39.204 0.05 . 1 . . . . 171 ASN CB . 15719 1 336 . 1 1 41 41 ASN N N 15 121.161 0.05 . 1 . . . . 171 ASN N . 15719 1 337 . 1 1 42 42 LYS HA H 1 4.025 0.005 . 1 . . . . 172 LYS HA . 15719 1 338 . 1 1 42 42 LYS HB2 H 1 1.275 0.005 . 1 . . . . 172 LYS HB2 . 15719 1 339 . 1 1 42 42 LYS HB3 H 1 1.275 0.005 . 1 . . . . 172 LYS HB3 . 15719 1 340 . 1 1 43 43 PHE H H 1 7.946 0.005 . 1 . . . . 173 PHE H . 15719 1 341 . 1 1 43 43 PHE HA H 1 4.314 0.005 . 1 . . . . 173 PHE HA . 15719 1 342 . 1 1 43 43 PHE HB2 H 1 2.680 0.005 . 2 . . . . 173 PHE HB2 . 15719 1 343 . 1 1 43 43 PHE HB3 H 1 2.910 0.005 . 2 . . . . 173 PHE HB3 . 15719 1 344 . 1 1 43 43 PHE HD1 H 1 6.950 0.005 . 3 . . . . 173 PHE HD1 . 15719 1 345 . 1 1 43 43 PHE HD2 H 1 6.950 0.005 . 3 . . . . 173 PHE HD2 . 15719 1 346 . 1 1 43 43 PHE CA C 13 56.109 0.05 . 1 . . . . 173 PHE CA . 15719 1 347 . 1 1 43 43 PHE CB C 13 37.560 0.05 . 1 . . . . 173 PHE CB . 15719 1 348 . 1 1 43 43 PHE N N 15 119.884 0.05 . 1 . . . . 173 PHE N . 15719 1 349 . 1 1 44 44 ALA H H 1 7.893 0.005 . 1 . . . . 174 ALA H . 15719 1 350 . 1 1 44 44 ALA HA H 1 3.993 0.005 . 1 . . . . 174 ALA HA . 15719 1 351 . 1 1 44 44 ALA HB1 H 1 1.098 0.005 . 1 . . . . 174 ALA HB1 . 15719 1 352 . 1 1 44 44 ALA HB2 H 1 1.098 0.005 . 1 . . . . 174 ALA HB2 . 15719 1 353 . 1 1 44 44 ALA HB3 H 1 1.098 0.005 . 1 . . . . 174 ALA HB3 . 15719 1 354 . 1 1 44 44 ALA C C 13 173.076 0.05 . 1 . . . . 174 ALA C . 15719 1 355 . 1 1 44 44 ALA CA C 13 51.165 0.05 . 1 . . . . 174 ALA CA . 15719 1 356 . 1 1 44 44 ALA CB C 13 17.517 0.05 . 1 . . . . 174 ALA CB . 15719 1 357 . 1 1 44 44 ALA N N 15 124.616 0.05 . 1 . . . . 174 ALA N . 15719 1 358 . 1 1 45 45 SER H H 1 8.043 0.005 . 1 . . . . 175 SER H . 15719 1 359 . 1 1 45 45 SER HA H 1 4.118 0.005 . 1 . . . . 175 SER HA . 15719 1 360 . 1 1 45 45 SER HB2 H 1 3.588 0.005 . 1 . . . . 175 SER HB2 . 15719 1 361 . 1 1 45 45 SER HB3 H 1 3.588 0.005 . 1 . . . . 175 SER HB3 . 15719 1 362 . 1 1 45 45 SER C C 13 176.015 0.05 . 1 . . . . 175 SER C . 15719 1 363 . 1 1 45 45 SER CA C 13 56.911 0.05 . 1 . . . . 175 SER CA . 15719 1 364 . 1 1 45 45 SER CB C 13 62.040 0.05 . 1 . . . . 175 SER CB . 15719 1 365 . 1 1 45 45 SER N N 15 114.557 0.05 . 1 . . . . 175 SER N . 15719 1 366 . 1 1 46 46 GLN H H 1 8.174 0.005 . 1 . . . . 176 GLN H . 15719 1 367 . 1 1 46 46 GLN HA H 1 4.087 0.005 . 1 . . . . 176 GLN HA . 15719 1 368 . 1 1 46 46 GLN HB2 H 1 1.716 0.005 . 1 . . . . 176 GLN HB2 . 15719 1 369 . 1 1 46 46 GLN HB3 H 1 1.716 0.005 . 1 . . . . 176 GLN HB3 . 15719 1 370 . 1 1 46 46 GLN HG2 H 1 2.067 0.005 . 1 . . . . 176 GLN HG2 . 15719 1 371 . 1 1 46 46 GLN HG3 H 1 2.067 0.005 . 1 . . . . 176 GLN HG3 . 15719 1 372 . 1 1 46 46 GLN CA C 13 54.357 0.05 . 1 . . . . 176 GLN CA . 15719 1 373 . 1 1 46 46 GLN CB C 13 27.514 0.05 . 1 . . . . 176 GLN CB . 15719 1 374 . 1 1 46 46 GLN CG C 13 32.065 0.05 . 1 . . . . 176 GLN CG . 15719 1 375 . 1 1 46 46 GLN N N 15 121.790 0.05 . 1 . . . . 176 GLN N . 15719 1 376 . 1 1 47 47 GLN H H 1 8.096 0.005 . 1 . . . . 177 GLN H . 15719 1 377 . 1 1 47 47 GLN HA H 1 4.197 0.005 . 1 . . . . 177 GLN HA . 15719 1 378 . 1 1 47 47 GLN HB2 H 1 1.802 0.005 . 1 . . . . 177 GLN HB2 . 15719 1 379 . 1 1 47 47 GLN HB3 H 1 1.802 0.005 . 1 . . . . 177 GLN HB3 . 15719 1 380 . 1 1 47 47 GLN HG2 H 1 2.268 0.005 . 1 . . . . 177 GLN HG2 . 15719 1 381 . 1 1 47 47 GLN HG3 H 1 2.268 0.005 . 1 . . . . 177 GLN HG3 . 15719 1 382 . 1 1 47 47 GLN C C 13 173.858 0.05 . 1 . . . . 177 GLN C . 15719 1 383 . 1 1 47 47 GLN CA C 13 54.051 0.05 . 1 . . . . 177 GLN CA . 15719 1 384 . 1 1 47 47 GLN CB C 13 30.865 0.05 . 1 . . . . 177 GLN CB . 15719 1 385 . 1 1 47 47 GLN N N 15 120.566 0.05 . 1 . . . . 177 GLN N . 15719 1 386 . 1 1 48 48 GLY H H 1 8.154 0.005 . 1 . . . . 178 GLY H . 15719 1 387 . 1 1 48 48 GLY HA2 H 1 3.736 0.005 . 1 . . . . 178 GLY HA2 . 15719 1 388 . 1 1 48 48 GLY HA3 H 1 3.736 0.005 . 1 . . . . 178 GLY HA3 . 15719 1 389 . 1 1 48 48 GLY C C 13 176.431 0.05 . 1 . . . . 178 GLY C . 15719 1 390 . 1 1 48 48 GLY CA C 13 43.729 0.05 . 1 . . . . 178 GLY CA . 15719 1 391 . 1 1 48 48 GLY N N 15 109.376 0.05 . 1 . . . . 178 GLY N . 15719 1 392 . 1 1 49 49 MET H H 1 7.971 0.005 . 1 . . . . 179 MET H . 15719 1 393 . 1 1 49 49 MET HA H 1 4.283 0.005 . 1 . . . . 179 MET HA . 15719 1 394 . 1 1 49 49 MET HB2 H 1 1.735 0.005 . 1 . . . . 179 MET HB2 . 15719 1 395 . 1 1 49 49 MET HB3 H 1 1.735 0.005 . 1 . . . . 179 MET HB3 . 15719 1 396 . 1 1 49 49 MET HG2 H 1 2.231 0.005 . 1 . . . . 179 MET HG2 . 15719 1 397 . 1 1 49 49 MET HG3 H 1 2.231 0.005 . 1 . . . . 179 MET HG3 . 15719 1 398 . 1 1 49 49 MET C C 13 174.146 0.05 . 1 . . . . 179 MET C . 15719 1 399 . 1 1 49 49 MET CA C 13 53.809 0.05 . 1 . . . . 179 MET CA . 15719 1 400 . 1 1 49 49 MET CB C 13 31.157 0.05 . 1 . . . . 179 MET CB . 15719 1 401 . 1 1 49 49 MET N N 15 119.524 0.05 . 1 . . . . 179 MET N . 15719 1 402 . 1 1 50 50 THR H H 1 8.009 0.005 . 1 . . . . 180 THR H . 15719 1 403 . 1 1 50 50 THR HA H 1 3.990 0.005 . 1 . . . . 180 THR HA . 15719 1 404 . 1 1 50 50 THR HB H 1 3.877 0.005 . 1 . . . . 180 THR HB . 15719 1 405 . 1 1 50 50 THR HG21 H 1 0.849 0.005 . 1 . . . . 180 THR HG21 . 15719 1 406 . 1 1 50 50 THR HG22 H 1 0.849 0.005 . 1 . . . . 180 THR HG22 . 15719 1 407 . 1 1 50 50 THR HG23 H 1 0.849 0.005 . 1 . . . . 180 THR HG23 . 15719 1 408 . 1 1 50 50 THR C C 13 176.507 0.05 . 1 . . . . 180 THR C . 15719 1 409 . 1 1 50 50 THR CA C 13 60.244 0.05 . 1 . . . . 180 THR CA . 15719 1 410 . 1 1 50 50 THR CB C 13 68.433 0.05 . 1 . . . . 180 THR CB . 15719 1 411 . 1 1 50 50 THR CG2 C 13 19.783 0.05 . 1 . . . . 180 THR CG2 . 15719 1 412 . 1 1 50 50 THR N N 15 115.120 0.05 . 1 . . . . 180 THR N . 15719 1 413 . 1 1 51 51 ALA H H 1 8.151 0.005 . 1 . . . . 181 ALA H . 15719 1 414 . 1 1 51 51 ALA HA H 1 3.963 0.005 . 1 . . . . 181 ALA HA . 15719 1 415 . 1 1 51 51 ALA HB1 H 1 0.985 0.005 . 1 . . . . 181 ALA HB1 . 15719 1 416 . 1 1 51 51 ALA HB2 H 1 0.985 0.005 . 1 . . . . 181 ALA HB2 . 15719 1 417 . 1 1 51 51 ALA HB3 H 1 0.985 0.005 . 1 . . . . 181 ALA HB3 . 15719 1 418 . 1 1 51 51 ALA C C 13 173.404 0.05 . 1 . . . . 181 ALA C . 15719 1 419 . 1 1 51 51 ALA CA C 13 50.952 0.05 . 1 . . . . 181 ALA CA . 15719 1 420 . 1 1 51 51 ALA CB C 13 17.313 0.05 . 1 . . . . 181 ALA CB . 15719 1 421 . 1 1 51 51 ALA N N 15 125.611 0.05 . 1 . . . . 181 ALA N . 15719 1 422 . 1 1 52 52 TYR H H 1 7.905 0.005 . 1 . . . . 182 TYR H . 15719 1 423 . 1 1 52 52 TYR HA H 1 4.196 0.005 . 1 . . . . 182 TYR HA . 15719 1 424 . 1 1 52 52 TYR HB2 H 1 2.650 0.005 . 2 . . . . 182 TYR HB2 . 15719 1 425 . 1 1 52 52 TYR HB3 H 1 2.768 0.005 . 2 . . . . 182 TYR HB3 . 15719 1 426 . 1 1 52 52 TYR HD1 H 1 6.800 0.005 . 3 . . . . 182 TYR HD1 . 15719 1 427 . 1 1 52 52 TYR HD2 H 1 6.800 0.005 . 3 . . . . 182 TYR HD2 . 15719 1 428 . 1 1 52 52 TYR C C 13 174.288 0.05 . 1 . . . . 182 TYR C . 15719 1 429 . 1 1 52 52 TYR CA C 13 56.633 0.05 . 1 . . . . 182 TYR CA . 15719 1 430 . 1 1 52 52 TYR CB C 13 36.981 0.05 . 1 . . . . 182 TYR CB . 15719 1 431 . 1 1 52 52 TYR N N 15 119.007 0.05 . 1 . . . . 182 TYR N . 15719 1 432 . 1 1 53 53 GLY H H 1 8.040 0.005 . 1 . . . . 183 GLY H . 15719 1 433 . 1 1 53 53 GLY HA2 H 1 3.570 0.005 . 2 . . . . 183 GLY HA2 . 15719 1 434 . 1 1 53 53 GLY HA3 H 1 3.706 0.005 . 2 . . . . 183 GLY HA3 . 15719 1 435 . 1 1 53 53 GLY C C 13 176.483 0.05 . 1 . . . . 183 GLY C . 15719 1 436 . 1 1 53 53 GLY CA C 13 43.778 0.05 . 1 . . . . 183 GLY CA . 15719 1 437 . 1 1 53 53 GLY N N 15 109.938 0.05 . 1 . . . . 183 GLY N . 15719 1 438 . 1 1 54 54 THR H H 1 7.779 0.005 . 1 . . . . 184 THR H . 15719 1 439 . 1 1 54 54 THR HA H 1 4.015 0.005 . 1 . . . . 184 THR HA . 15719 1 440 . 1 1 54 54 THR HB H 1 3.650 0.005 . 1 . . . . 184 THR HB . 15719 1 441 . 1 1 54 54 THR HG21 H 1 0.904 0.005 . 1 . . . . 184 THR HG21 . 15719 1 442 . 1 1 54 54 THR HG22 H 1 0.904 0.005 . 1 . . . . 184 THR HG22 . 15719 1 443 . 1 1 54 54 THR HG23 H 1 0.904 0.005 . 1 . . . . 184 THR HG23 . 15719 1 444 . 1 1 54 54 THR C C 13 176.248 0.05 . 1 . . . . 184 THR C . 15719 1 445 . 1 1 54 54 THR CA C 13 60.384 0.05 . 1 . . . . 184 THR CA . 15719 1 446 . 1 1 54 54 THR CB C 13 68.201 0.05 . 1 . . . . 184 THR CB . 15719 1 447 . 1 1 54 54 THR CG2 C 13 19.794 0.05 . 1 . . . . 184 THR CG2 . 15719 1 448 . 1 1 54 54 THR N N 15 113.430 0.05 . 1 . . . . 184 THR N . 15719 1 449 . 1 1 55 55 ARG H H 1 8.153 0.005 . 1 . . . . 185 ARG H . 15719 1 450 . 1 1 55 55 ARG HA H 1 4.073 0.005 . 1 . . . . 185 ARG HA . 15719 1 451 . 1 1 55 55 ARG HB2 H 1 1.459 0.005 . 1 . . . . 185 ARG HB2 . 15719 1 452 . 1 1 55 55 ARG HB3 H 1 1.459 0.005 . 1 . . . . 185 ARG HB3 . 15719 1 453 . 1 1 55 55 ARG C C 13 174.747 0.05 . 1 . . . . 185 ARG C . 15719 1 454 . 1 1 55 55 ARG CA C 13 54.457 0.05 . 1 . . . . 185 ARG CA . 15719 1 455 . 1 1 55 55 ARG CB C 13 28.890 0.05 . 1 . . . . 185 ARG CB . 15719 1 456 . 1 1 55 55 ARG CD C 13 41.620 0.05 . 1 . . . . 185 ARG CD . 15719 1 457 . 1 1 55 55 ARG CG C 13 25.483 0.05 . 1 . . . . 185 ARG CG . 15719 1 458 . 1 1 55 55 ARG N N 15 122.944 0.05 . 1 . . . . 185 ARG N . 15719 1 459 . 1 1 56 56 ARG H H 1 8.100 0.005 . 1 . . . . 186 ARG H . 15719 1 460 . 1 1 56 56 ARG HA H 1 4.044 0.005 . 1 . . . . 186 ARG HA . 15719 1 461 . 1 1 56 56 ARG HB2 H 1 1.430 0.005 . 1 . . . . 186 ARG HB2 . 15719 1 462 . 1 1 56 56 ARG HB3 H 1 1.430 0.005 . 1 . . . . 186 ARG HB3 . 15719 1 463 . 1 1 56 56 ARG C C 13 174.896 0.05 . 1 . . . . 186 ARG C . 15719 1 464 . 1 1 56 56 ARG CA C 13 54.535 0.05 . 1 . . . . 186 ARG CA . 15719 1 465 . 1 1 56 56 ARG CB C 13 29.071 0.05 . 1 . . . . 186 ARG CB . 15719 1 466 . 1 1 56 56 ARG CD C 13 41.507 0.05 . 1 . . . . 186 ARG CD . 15719 1 467 . 1 1 56 56 ARG CG C 13 25.478 0.05 . 1 . . . . 186 ARG CG . 15719 1 468 . 1 1 56 56 ARG N N 15 122.180 0.05 . 1 . . . . 186 ARG N . 15719 1 469 . 1 1 57 57 HIS H H 1 8.152 0.005 . 1 . . . . 187 HIS H . 15719 1 470 . 1 1 57 57 HIS HA H 1 4.271 0.005 . 1 . . . . 187 HIS HA . 15719 1 471 . 1 1 57 57 HIS HB2 H 1 2.715 0.005 . 1 . . . . 187 HIS HB2 . 15719 1 472 . 1 1 57 57 HIS HB3 H 1 2.715 0.005 . 1 . . . . 187 HIS HB3 . 15719 1 473 . 1 1 57 57 HIS C C 13 175.637 0.05 . 1 . . . . 187 HIS C . 15719 1 474 . 1 1 57 57 HIS CA C 13 54.643 0.05 . 1 . . . . 187 HIS CA . 15719 1 475 . 1 1 57 57 HIS CB C 13 29.188 0.05 . 1 . . . . 187 HIS CB . 15719 1 476 . 1 1 57 57 HIS N N 15 120.597 0.05 . 1 . . . . 187 HIS N . 15719 1 477 . 1 1 58 58 LEU H H 1 7.871 0.005 . 1 . . . . 188 LEU H . 15719 1 478 . 1 1 58 58 LEU HA H 1 3.944 0.005 . 1 . . . . 188 LEU HA . 15719 1 479 . 1 1 58 58 LEU HB2 H 1 1.085 0.005 . 2 . . . . 188 LEU HB2 . 15719 1 480 . 1 1 58 58 LEU HB3 H 1 1.216 0.005 . 2 . . . . 188 LEU HB3 . 15719 1 481 . 1 1 58 58 LEU CA C 13 55.592 0.05 . 1 . . . . 188 LEU CA . 15719 1 482 . 1 1 58 58 LEU CB C 13 37.468 0.05 . 1 . . . . 188 LEU CB . 15719 1 483 . 1 1 58 58 LEU N N 15 123.174 0.05 . 1 . . . . 188 LEU N . 15719 1 484 . 1 1 59 59 TYR H H 1 7.886 0.005 . 1 . . . . 189 TYR H . 15719 1 485 . 1 1 59 59 TYR HA H 1 4.217 0.005 . 1 . . . . 189 TYR HA . 15719 1 486 . 1 1 59 59 TYR HB2 H 1 2.639 0.005 . 1 . . . . 189 TYR HB2 . 15719 1 487 . 1 1 59 59 TYR HB3 H 1 2.639 0.005 . 1 . . . . 189 TYR HB3 . 15719 1 488 . 1 1 59 59 TYR HD1 H 1 6.759 0.005 . 3 . . . . 189 TYR HD1 . 15719 1 489 . 1 1 59 59 TYR HD2 H 1 6.759 0.005 . 3 . . . . 189 TYR HD2 . 15719 1 490 . 1 1 59 59 TYR C C 13 176.192 0.05 . 1 . . . . 189 TYR C . 15719 1 491 . 1 1 59 59 TYR CA C 13 55.953 0.05 . 1 . . . . 189 TYR CA . 15719 1 492 . 1 1 59 59 TYR CB C 13 37.208 0.05 . 1 . . . . 189 TYR CB . 15719 1 493 . 1 1 59 59 TYR N N 15 120.674 0.05 . 1 . . . . 189 TYR N . 15719 1 494 . 1 1 60 60 ASP H H 1 7.954 0.005 . 1 . . . . 190 ASP H . 15719 1 495 . 1 1 60 60 ASP HA H 1 4.558 0.005 . 1 . . . . 190 ASP HA . 15719 1 496 . 1 1 60 60 ASP HB2 H 1 2.189 0.005 . 2 . . . . 190 ASP HB2 . 15719 1 497 . 1 1 60 60 ASP HB3 H 1 2.486 0.005 . 2 . . . . 190 ASP HB3 . 15719 1 498 . 1 1 60 60 ASP C C 13 176.146 0.05 . 1 . . . . 190 ASP C . 15719 1 499 . 1 1 60 60 ASP CA C 13 49.500 0.05 . 1 . . . . 190 ASP CA . 15719 1 500 . 1 1 60 60 ASP CB C 13 39.989 0.05 . 1 . . . . 190 ASP CB . 15719 1 501 . 1 1 60 60 ASP N N 15 124.878 0.05 . 1 . . . . 190 ASP N . 15719 1 502 . 1 1 61 61 PRO HA H 1 4.019 0.005 . 1 . . . . 191 PRO HA . 15719 1 503 . 1 1 61 61 PRO HB2 H 1 2.019 0.005 . 1 . . . . 191 PRO HB2 . 15719 1 504 . 1 1 61 61 PRO HB3 H 1 2.019 0.005 . 1 . . . . 191 PRO HB3 . 15719 1 505 . 1 1 61 61 PRO HD2 H 1 3.341 0.005 . 2 . . . . 191 PRO HD2 . 15719 1 506 . 1 1 61 61 PRO HD3 H 1 3.543 0.005 . 2 . . . . 191 PRO HD3 . 15719 1 507 . 1 1 61 61 PRO C C 13 173.348 0.05 . 1 . . . . 191 PRO C . 15719 1 508 . 1 1 61 61 PRO CA C 13 61.861 0.05 . 1 . . . . 191 PRO CA . 15719 1 509 . 1 1 61 61 PRO CB C 13 30.443 0.05 . 1 . . . . 191 PRO CB . 15719 1 510 . 1 1 61 61 PRO CD C 13 49.381 0.05 . 1 . . . . 191 PRO CD . 15719 1 511 . 1 1 61 61 PRO CG C 13 25.265 0.05 . 1 . . . . 191 PRO CG . 15719 1 512 . 1 1 62 62 LYS H H 1 8.130 0.005 . 1 . . . . 192 LYS H . 15719 1 513 . 1 1 62 62 LYS HA H 1 3.896 0.005 . 1 . . . . 192 LYS HA . 15719 1 514 . 1 1 62 62 LYS HB2 H 1 1.513 0.005 . 1 . . . . 192 LYS HB2 . 15719 1 515 . 1 1 62 62 LYS HB3 H 1 1.513 0.005 . 1 . . . . 192 LYS HB3 . 15719 1 516 . 1 1 62 62 LYS C C 13 173.686 0.05 . 1 . . . . 192 LYS C . 15719 1 517 . 1 1 62 62 LYS CA C 13 55.284 0.05 . 1 . . . . 192 LYS CA . 15719 1 518 . 1 1 62 62 LYS CB C 13 30.396 0.05 . 1 . . . . 192 LYS CB . 15719 1 519 . 1 1 62 62 LYS CD C 13 27.198 0.05 . 1 . . . . 192 LYS CD . 15719 1 520 . 1 1 62 62 LYS CG C 13 23.213 0.05 . 1 . . . . 192 LYS CG . 15719 1 521 . 1 1 62 62 LYS N N 15 119.205 0.05 . 1 . . . . 192 LYS N . 15719 1 522 . 1 1 63 63 LEU H H 1 7.623 0.005 . 1 . . . . 193 LEU H . 15719 1 523 . 1 1 63 63 LEU HA H 1 4.039 0.005 . 1 . . . . 193 LEU HA . 15719 1 524 . 1 1 63 63 LEU HB2 H 1 1.498 0.005 . 1 . . . . 193 LEU HB2 . 15719 1 525 . 1 1 63 63 LEU HB3 H 1 1.363 0.005 . 1 . . . . 193 LEU HB3 . 15719 1 526 . 1 1 63 63 LEU C C 13 172.910 0.05 . 1 . . . . 193 LEU C . 15719 1 527 . 1 1 63 63 LEU CA C 13 53.475 0.05 . 1 . . . . 193 LEU CA . 15719 1 528 . 1 1 63 63 LEU CB C 13 40.615 0.05 . 1 . . . . 193 LEU CB . 15719 1 529 . 1 1 63 63 LEU N N 15 120.892 0.05 . 1 . . . . 193 LEU N . 15719 1 530 . 1 1 64 64 GLY H H 1 8.041 0.005 . 1 . . . . 194 GLY H . 15719 1 531 . 1 1 64 64 GLY HA2 H 1 3.716 0.005 . 1 . . . . 194 GLY HA2 . 15719 1 532 . 1 1 64 64 GLY HA3 H 1 3.716 0.005 . 1 . . . . 194 GLY HA3 . 15719 1 533 . 1 1 64 64 GLY C C 13 176.499 0.05 . 1 . . . . 194 GLY C . 15719 1 534 . 1 1 64 64 GLY CA C 13 43.764 0.05 . 1 . . . . 194 GLY CA . 15719 1 535 . 1 1 64 64 GLY N N 15 108.884 0.05 . 1 . . . . 194 GLY N . 15719 1 536 . 1 1 65 65 THR H H 1 7.824 0.005 . 1 . . . . 195 THR H . 15719 1 537 . 1 1 65 65 THR HA H 1 4.100 0.005 . 1 . . . . 195 THR HA . 15719 1 538 . 1 1 65 65 THR HB H 1 4.007 0.005 . 1 . . . . 195 THR HB . 15719 1 539 . 1 1 65 65 THR HG21 H 1 0.892 0.005 . 1 . . . . 195 THR HG21 . 15719 1 540 . 1 1 65 65 THR HG22 H 1 0.892 0.005 . 1 . . . . 195 THR HG22 . 15719 1 541 . 1 1 65 65 THR HG23 H 1 0.892 0.005 . 1 . . . . 195 THR HG23 . 15719 1 542 . 1 1 65 65 THR C C 13 176.516 0.05 . 1 . . . . 195 THR C . 15719 1 543 . 1 1 65 65 THR CA C 13 59.994 0.05 . 1 . . . . 195 THR CA . 15719 1 544 . 1 1 65 65 THR CB C 13 68.135 0.05 . 1 . . . . 195 THR CB . 15719 1 545 . 1 1 65 65 THR CG2 C 13 19.720 0.05 . 1 . . . . 195 THR CG2 . 15719 1 546 . 1 1 65 65 THR N N 15 112.336 0.05 . 1 . . . . 195 THR N . 15719 1 547 . 1 1 66 66 ASP H H 1 8.208 0.005 . 1 . . . . 196 ASP H . 15719 1 548 . 1 1 66 66 ASP HA H 1 4.348 0.005 . 1 . . . . 196 ASP HA . 15719 1 549 . 1 1 66 66 ASP HB2 H 1 2.345 0.005 . 1 . . . . 196 ASP HB2 . 15719 1 550 . 1 1 66 66 ASP HB3 H 1 2.345 0.005 . 1 . . . . 196 ASP HB3 . 15719 1 551 . 1 1 66 66 ASP C C 13 175.225 0.05 . 1 . . . . 196 ASP C . 15719 1 552 . 1 1 66 66 ASP CA C 13 52.589 0.05 . 1 . . . . 196 ASP CA . 15719 1 553 . 1 1 66 66 ASP CB C 13 39.150 0.05 . 1 . . . . 196 ASP CB . 15719 1 554 . 1 1 66 66 ASP N N 15 122.250 0.05 . 1 . . . . 196 ASP N . 15719 1 555 . 1 1 67 67 GLN H H 1 7.976 0.005 . 1 . . . . 197 GLN H . 15719 1 556 . 1 1 67 67 GLN HA H 1 4.323 0.005 . 1 . . . . 197 GLN HA . 15719 1 557 . 1 1 67 67 GLN HB2 H 1 1.612 0.005 . 2 . . . . 197 GLN HB2 . 15719 1 558 . 1 1 67 67 GLN HB3 H 1 1.792 0.005 . 2 . . . . 197 GLN HB3 . 15719 1 559 . 1 1 67 67 GLN C C 13 177.148 0.05 . 1 . . . . 197 GLN C . 15719 1 560 . 1 1 67 67 GLN CA C 13 51.796 0.05 . 1 . . . . 197 GLN CA . 15719 1 561 . 1 1 67 67 GLN CB C 13 27.348 0.05 . 1 . . . . 197 GLN CB . 15719 1 562 . 1 1 67 67 GLN N N 15 120.932 0.05 . 1 . . . . 197 GLN N . 15719 1 563 . 1 1 68 68 PRO CA C 13 61.291 0.05 . 1 . . . . 198 PRO CA . 15719 1 564 . 1 1 68 68 PRO CB C 13 30.410 0.05 . 1 . . . . 198 PRO CB . 15719 1 565 . 1 1 68 68 PRO CD C 13 49.131 0.05 . 1 . . . . 198 PRO CD . 15719 1 566 . 1 1 68 68 PRO CG C 13 25.857 0.05 . 1 . . . . 198 PRO CG . 15719 1 567 . 1 1 69 69 LEU H H 1 8.206 0.005 . 1 . . . . 199 LEU H . 15719 1 568 . 1 1 69 69 LEU HA H 1 3.991 0.005 . 1 . . . . 199 LEU HA . 15719 1 569 . 1 1 69 69 LEU CA C 13 54.612 0.05 . 1 . . . . 199 LEU CA . 15719 1 570 . 1 1 69 69 LEU CB C 13 39.446 0.05 . 1 . . . . 199 LEU CB . 15719 1 571 . 1 1 69 69 LEU N N 15 122.352 0.05 . 1 . . . . 199 LEU N . 15719 1 572 . 1 1 70 70 ASP H H 1 8.123 0.005 . 1 . . . . 200 ASP H . 15719 1 573 . 1 1 70 70 ASP HA H 1 4.279 0.005 . 1 . . . . 200 ASP HA . 15719 1 574 . 1 1 70 70 ASP HB2 H 1 2.410 0.005 . 1 . . . . 200 ASP HB2 . 15719 1 575 . 1 1 70 70 ASP HB3 H 1 2.410 0.005 . 1 . . . . 200 ASP HB3 . 15719 1 576 . 1 1 70 70 ASP CA C 13 52.295 0.05 . 1 . . . . 200 ASP CA . 15719 1 577 . 1 1 70 70 ASP CB C 13 39.354 0.05 . 1 . . . . 200 ASP CB . 15719 1 578 . 1 1 70 70 ASP N N 15 120.638 0.05 . 1 . . . . 200 ASP N . 15719 1 579 . 1 1 71 71 GLN H H 1 8.192 0.005 . 1 . . . . 201 GLN H . 15719 1 580 . 1 1 71 71 GLN HA H 1 3.890 0.005 . 1 . . . . 201 GLN HA . 15719 1 581 . 1 1 71 71 GLN HB2 H 1 1.699 0.005 . 2 . . . . 201 GLN HB2 . 15719 1 582 . 1 1 71 71 GLN HB3 H 1 1.836 0.005 . 2 . . . . 201 GLN HB3 . 15719 1 583 . 1 1 71 71 GLN HG2 H 1 2.088 0.005 . 2 . . . . 201 GLN HG2 . 15719 1 584 . 1 1 71 71 GLN HG3 H 1 2.408 0.005 . 2 . . . . 201 GLN HG3 . 15719 1 585 . 1 1 71 71 GLN C C 13 174.426 0.05 . 1 . . . . 201 GLN C . 15719 1 586 . 1 1 71 71 GLN CA C 13 54.986 0.05 . 1 . . . . 201 GLN CA . 15719 1 587 . 1 1 71 71 GLN CB C 13 27.387 0.05 . 1 . . . . 201 GLN CB . 15719 1 588 . 1 1 71 71 GLN CG C 13 32.020 0.05 . 1 . . . . 201 GLN CG . 15719 1 589 . 1 1 71 71 GLN N N 15 121.061 0.05 . 1 . . . . 201 GLN N . 15719 1 590 . 1 1 72 72 ALA H H 1 8.172 0.005 . 1 . . . . 202 ALA H . 15719 1 591 . 1 1 72 72 ALA HA H 1 3.966 0.005 . 1 . . . . 202 ALA HA . 15719 1 592 . 1 1 72 72 ALA HB1 H 1 1.133 0.005 . 1 . . . . 202 ALA HB1 . 15719 1 593 . 1 1 72 72 ALA HB2 H 1 1.133 0.005 . 1 . . . . 202 ALA HB2 . 15719 1 594 . 1 1 72 72 ALA HB3 H 1 1.133 0.005 . 1 . . . . 202 ALA HB3 . 15719 1 595 . 1 1 72 72 ALA C C 13 172.102 0.05 . 1 . . . . 202 ALA C . 15719 1 596 . 1 1 72 72 ALA CA C 13 51.861 0.05 . 1 . . . . 202 ALA CA . 15719 1 597 . 1 1 72 72 ALA CB C 13 17.075 0.05 . 1 . . . . 202 ALA CB . 15719 1 598 . 1 1 72 72 ALA N N 15 123.628 0.05 . 1 . . . . 202 ALA N . 15719 1 599 . 1 1 73 73 THR H H 1 7.806 0.005 . 1 . . . . 203 THR H . 15719 1 600 . 1 1 73 73 THR HA H 1 3.955 0.005 . 1 . . . . 203 THR HA . 15719 1 601 . 1 1 73 73 THR HB H 1 3.905 0.005 . 1 . . . . 203 THR HB . 15719 1 602 . 1 1 73 73 THR HG21 H 1 0.906 0.005 . 1 . . . . 203 THR HG21 . 15719 1 603 . 1 1 73 73 THR HG22 H 1 0.906 0.005 . 1 . . . . 203 THR HG22 . 15719 1 604 . 1 1 73 73 THR HG23 H 1 0.906 0.005 . 1 . . . . 203 THR HG23 . 15719 1 605 . 1 1 73 73 THR C C 13 175.624 0.05 . 1 . . . . 203 THR C . 15719 1 606 . 1 1 73 73 THR CA C 13 61.645 0.05 . 1 . . . . 203 THR CA . 15719 1 607 . 1 1 73 73 THR CB C 13 67.617 0.05 . 1 . . . . 203 THR CB . 15719 1 608 . 1 1 73 73 THR CG2 C 13 20.095 0.05 . 1 . . . . 203 THR CG2 . 15719 1 609 . 1 1 73 73 THR N N 15 113.990 0.05 . 1 . . . . 203 THR N . 15719 1 610 . 1 1 74 74 ILE H H 1 7.836 0.005 . 1 . . . . 204 ILE H . 15719 1 611 . 1 1 74 74 ILE HA H 1 3.756 0.005 . 1 . . . . 204 ILE HA . 15719 1 612 . 1 1 74 74 ILE HB H 1 1.565 0.005 . 1 . . . . 204 ILE HB . 15719 1 613 . 1 1 74 74 ILE C C 13 173.976 0.05 . 1 . . . . 204 ILE C . 15719 1 614 . 1 1 74 74 ILE CA C 13 60.635 0.05 . 1 . . . . 204 ILE CA . 15719 1 615 . 1 1 74 74 ILE CB C 13 36.745 0.05 . 1 . . . . 204 ILE CB . 15719 1 616 . 1 1 74 74 ILE CD1 C 13 11.108 0.05 . 1 . . . . 204 ILE CD1 . 15719 1 617 . 1 1 74 74 ILE CG1 C 13 25.739 0.05 . 1 . . . . 204 ILE CG1 . 15719 1 618 . 1 1 74 74 ILE CG2 C 13 15.434 0.05 . 1 . . . . 204 ILE CG2 . 15719 1 619 . 1 1 74 74 ILE N N 15 123.273 0.05 . 1 . . . . 204 ILE N . 15719 1 620 . 1 1 75 75 SER H H 1 8.127 0.005 . 1 . . . . 205 SER H . 15719 1 621 . 1 1 75 75 SER HA H 1 4.090 0.005 . 1 . . . . 205 SER HA . 15719 1 622 . 1 1 75 75 SER HB2 H 1 3.612 0.005 . 1 . . . . 205 SER HB2 . 15719 1 623 . 1 1 75 75 SER HB3 H 1 3.612 0.005 . 1 . . . . 205 SER HB3 . 15719 1 624 . 1 1 75 75 SER C C 13 175.693 0.05 . 1 . . . . 205 SER C . 15719 1 625 . 1 1 75 75 SER CA C 13 57.456 0.05 . 1 . . . . 205 SER CA . 15719 1 626 . 1 1 75 75 SER CB C 13 61.811 0.05 . 1 . . . . 205 SER CB . 15719 1 627 . 1 1 75 75 SER N N 15 118.470 0.05 . 1 . . . . 205 SER N . 15719 1 628 . 1 1 76 76 LEU H H 1 7.920 0.005 . 1 . . . . 206 LEU H . 15719 1 629 . 1 1 76 76 LEU HA H 1 3.987 0.005 . 1 . . . . 206 LEU HA . 15719 1 630 . 1 1 76 76 LEU HB2 H 1 1.391 0.005 . 1 . . . . 206 LEU HB2 . 15719 1 631 . 1 1 76 76 LEU HB3 H 1 1.391 0.005 . 1 . . . . 206 LEU HB3 . 15719 1 632 . 1 1 76 76 LEU C C 13 172.757 0.05 . 1 . . . . 206 LEU C . 15719 1 633 . 1 1 76 76 LEU CA C 13 54.493 0.05 . 1 . . . . 206 LEU CA . 15719 1 634 . 1 1 76 76 LEU CB C 13 40.378 0.05 . 1 . . . . 206 LEU CB . 15719 1 635 . 1 1 76 76 LEU N N 15 123.771 0.05 . 1 . . . . 206 LEU N . 15719 1 636 . 1 1 77 77 GLN HA H 1 4.086 0.005 . 1 . . . . 207 GLN HA . 15719 1 637 . 1 1 77 77 GLN CA C 13 54.256 0.05 . 1 . . . . 207 GLN CA . 15719 1 638 . 1 1 77 77 GLN CB C 13 27.208 0.05 . 1 . . . . 207 GLN CB . 15719 1 639 . 1 1 78 78 MET H H 1 8.142 0.005 . 1 . . . . 208 MET H . 15719 1 640 . 1 1 78 78 MET HA H 1 3.963 0.005 . 1 . . . . 208 MET HA . 15719 1 641 . 1 1 78 78 MET HB2 H 1 1.819 0.005 . 1 . . . . 208 MET HB2 . 15719 1 642 . 1 1 78 78 MET HB3 H 1 1.819 0.005 . 1 . . . . 208 MET HB3 . 15719 1 643 . 1 1 78 78 MET HG2 H 1 2.059 0.005 . 1 . . . . 208 MET HG2 . 15719 1 644 . 1 1 78 78 MET HG3 H 1 2.059 0.005 . 1 . . . . 208 MET HG3 . 15719 1 645 . 1 1 78 78 MET CA C 13 54.674 0.05 . 1 . . . . 208 MET CA . 15719 1 646 . 1 1 78 78 MET CB C 13 27.524 0.05 . 1 . . . . 208 MET CB . 15719 1 647 . 1 1 78 78 MET N N 15 120.845 0.05 . 1 . . . . 208 MET N . 15719 1 648 . 1 1 79 79 GLY H H 1 8.246 0.005 . 1 . . . . 209 GLY H . 15719 1 649 . 1 1 79 79 GLY HA2 H 1 3.681 0.005 . 1 . . . . 209 GLY HA2 . 15719 1 650 . 1 1 79 79 GLY HA3 H 1 3.681 0.005 . 1 . . . . 209 GLY HA3 . 15719 1 651 . 1 1 79 79 GLY CA C 13 43.723 0.05 . 1 . . . . 209 GLY CA . 15719 1 652 . 1 1 79 79 GLY N N 15 109.739 0.05 . 1 . . . . 209 GLY N . 15719 1 653 . 1 1 80 80 THR H H 1 7.881 0.005 . 1 . . . . 210 THR H . 15719 1 654 . 1 1 80 80 THR HA H 1 4.019 0.005 . 1 . . . . 210 THR HA . 15719 1 655 . 1 1 80 80 THR HG21 H 1 0.895 0.005 . 1 . . . . 210 THR HG21 . 15719 1 656 . 1 1 80 80 THR HG22 H 1 0.895 0.005 . 1 . . . . 210 THR HG22 . 15719 1 657 . 1 1 80 80 THR HG23 H 1 0.895 0.005 . 1 . . . . 210 THR HG23 . 15719 1 658 . 1 1 80 80 THR C C 13 176.381 0.05 . 1 . . . . 210 THR C . 15719 1 659 . 1 1 80 80 THR CA C 13 60.238 0.05 . 1 . . . . 210 THR CA . 15719 1 660 . 1 1 80 80 THR CB C 13 68.114 0.05 . 1 . . . . 210 THR CB . 15719 1 661 . 1 1 80 80 THR CG2 C 13 19.746 0.05 . 1 . . . . 210 THR CG2 . 15719 1 662 . 1 1 80 80 THR N N 15 113.022 0.05 . 1 . . . . 210 THR N . 15719 1 663 . 1 1 81 81 ASN H H 1 8.306 0.005 . 1 . . . . 211 ASN H . 15719 1 664 . 1 1 81 81 ASN HA H 1 4.425 0.005 . 1 . . . . 211 ASN HA . 15719 1 665 . 1 1 81 81 ASN HB2 H 1 2.517 0.005 . 1 . . . . 211 ASN HB2 . 15719 1 666 . 1 1 81 81 ASN HB3 H 1 2.517 0.005 . 1 . . . . 211 ASN HB3 . 15719 1 667 . 1 1 81 81 ASN C C 13 175.477 0.05 . 1 . . . . 211 ASN C . 15719 1 668 . 1 1 81 81 ASN CA C 13 51.617 0.05 . 1 . . . . 211 ASN CA . 15719 1 669 . 1 1 81 81 ASN CB C 13 36.933 0.05 . 1 . . . . 211 ASN CB . 15719 1 670 . 1 1 81 81 ASN N N 15 120.922 0.05 . 1 . . . . 211 ASN N . 15719 1 671 . 1 1 82 82 LYS H H 1 8.200 0.005 . 1 . . . . 212 LYS H . 15719 1 672 . 1 1 82 82 LYS CA C 13 54.448 0.05 . 1 . . . . 212 LYS CA . 15719 1 673 . 1 1 82 82 LYS CB C 13 29.204 0.05 . 1 . . . . 212 LYS CB . 15719 1 674 . 1 1 82 82 LYS N N 15 121.989 0.05 . 1 . . . . 212 LYS N . 15719 1 675 . 1 1 83 83 GLY H H 1 8.234 0.005 . 1 . . . . 213 GLY H . 15719 1 676 . 1 1 83 83 GLY C C 13 177.074 0.05 . 1 . . . . 213 GLY C . 15719 1 677 . 1 1 83 83 GLY CA C 13 43.438 0.05 . 1 . . . . 213 GLY CA . 15719 1 678 . 1 1 83 83 GLY N N 15 110.009 0.05 . 1 . . . . 213 GLY N . 15719 1 679 . 1 1 84 84 ALA H H 1 8.000 0.005 . 1 . . . . 214 ALA H . 15719 1 680 . 1 1 84 84 ALA HA H 1 3.657 0.005 . 1 . . . . 214 ALA HA . 15719 1 681 . 1 1 84 84 ALA HB1 H 1 1.112 0.005 . 1 . . . . 214 ALA HB1 . 15719 1 682 . 1 1 84 84 ALA HB2 H 1 1.112 0.005 . 1 . . . . 214 ALA HB2 . 15719 1 683 . 1 1 84 84 ALA HB3 H 1 1.112 0.005 . 1 . . . . 214 ALA HB3 . 15719 1 684 . 1 1 84 84 ALA C C 13 172.760 0.05 . 1 . . . . 214 ALA C . 15719 1 685 . 1 1 84 84 ALA CA C 13 50.910 0.05 . 1 . . . . 214 ALA CA . 15719 1 686 . 1 1 84 84 ALA CB C 13 17.577 0.05 . 1 . . . . 214 ALA CB . 15719 1 687 . 1 1 84 84 ALA N N 15 123.733 0.05 . 1 . . . . 214 ALA N . 15719 1 688 . 1 1 85 85 SER H H 1 8.161 0.005 . 1 . . . . 215 SER H . 15719 1 689 . 1 1 85 85 SER HA H 1 4.062 0.005 . 1 . . . . 215 SER HA . 15719 1 690 . 1 1 85 85 SER HB2 H 1 3.600 0.005 . 1 . . . . 215 SER HB2 . 15719 1 691 . 1 1 85 85 SER HB3 H 1 3.600 0.005 . 1 . . . . 215 SER HB3 . 15719 1 692 . 1 1 85 85 SER C C 13 176.030 0.05 . 1 . . . . 215 SER C . 15719 1 693 . 1 1 85 85 SER CA C 13 56.859 0.05 . 1 . . . . 215 SER CA . 15719 1 694 . 1 1 85 85 SER CB C 13 62.009 0.05 . 1 . . . . 215 SER CB . 15719 1 695 . 1 1 85 85 SER N N 15 115.031 0.05 . 1 . . . . 215 SER N . 15719 1 696 . 1 1 86 86 GLN H H 1 8.215 0.005 . 1 . . . . 216 GLN H . 15719 1 697 . 1 1 86 86 GLN HA H 1 4.058 0.005 . 1 . . . . 216 GLN HA . 15719 1 698 . 1 1 86 86 GLN HB2 H 1 1.879 0.005 . 1 . . . . 216 GLN HB2 . 15719 1 699 . 1 1 86 86 GLN HB3 H 1 1.879 0.005 . 1 . . . . 216 GLN HB3 . 15719 1 700 . 1 1 86 86 GLN C C 13 175.001 0.05 . 1 . . . . 216 GLN C . 15719 1 701 . 1 1 86 86 GLN CA C 13 54.038 0.05 . 1 . . . . 216 GLN CA . 15719 1 702 . 1 1 86 86 GLN CB C 13 27.650 0.05 . 1 . . . . 216 GLN CB . 15719 1 703 . 1 1 86 86 GLN CG C 13 32.095 0.05 . 1 . . . . 216 GLN CG . 15719 1 704 . 1 1 86 86 GLN N N 15 122.275 0.05 . 1 . . . . 216 GLN N . 15719 1 705 . 1 1 87 87 ALA H H 1 8.099 0.005 . 1 . . . . 217 ALA H . 15719 1 706 . 1 1 87 87 ALA HA H 1 3.990 0.005 . 1 . . . . 217 ALA HA . 15719 1 707 . 1 1 87 87 ALA HB1 H 1 1.103 0.005 . 1 . . . . 217 ALA HB1 . 15719 1 708 . 1 1 87 87 ALA HB2 H 1 1.103 0.005 . 1 . . . . 217 ALA HB2 . 15719 1 709 . 1 1 87 87 ALA HB3 H 1 1.103 0.005 . 1 . . . . 217 ALA HB3 . 15719 1 710 . 1 1 87 87 ALA C C 13 172.518 0.05 . 1 . . . . 217 ALA C . 15719 1 711 . 1 1 87 87 ALA CA C 13 51.323 0.05 . 1 . . . . 217 ALA CA . 15719 1 712 . 1 1 87 87 ALA CB C 13 17.308 0.05 . 1 . . . . 217 ALA CB . 15719 1 713 . 1 1 87 87 ALA N N 15 124.989 0.05 . 1 . . . . 217 ALA N . 15719 1 714 . 1 1 88 88 GLY H H 1 8.212 0.005 . 1 . . . . 218 GLY H . 15719 1 715 . 1 1 88 88 GLY HA2 H 1 3.657 0.005 . 1 . . . . 218 GLY HA2 . 15719 1 716 . 1 1 88 88 GLY HA3 H 1 3.658 0.005 . 1 . . . . 218 GLY HA3 . 15719 1 717 . 1 1 88 88 GLY C C 13 176.636 0.05 . 1 . . . . 218 GLY C . 15719 1 718 . 1 1 88 88 GLY CA C 13 43.576 0.05 . 1 . . . . 218 GLY CA . 15719 1 719 . 1 1 88 88 GLY N N 15 108.008 0.05 . 1 . . . . 218 GLY N . 15719 1 720 . 1 1 89 89 MET H H 1 7.921 0.005 . 1 . . . . 219 MET H . 15719 1 721 . 1 1 89 89 MET HA H 1 4.260 0.005 . 1 . . . . 219 MET HA . 15719 1 722 . 1 1 89 89 MET HB2 H 1 1.745 0.005 . 1 . . . . 219 MET HB2 . 15719 1 723 . 1 1 89 89 MET HB3 H 1 1.745 0.005 . 1 . . . . 219 MET HB3 . 15719 1 724 . 1 1 89 89 MET HG2 H 1 2.251 0.005 . 1 . . . . 219 MET HG2 . 15719 1 725 . 1 1 89 89 MET HG3 H 1 2.251 0.005 . 1 . . . . 219 MET HG3 . 15719 1 726 . 1 1 89 89 MET C C 13 174.423 0.05 . 1 . . . . 219 MET C . 15719 1 727 . 1 1 89 89 MET CA C 13 53.769 0.05 . 1 . . . . 219 MET CA . 15719 1 728 . 1 1 89 89 MET CB C 13 31.229 0.05 . 1 . . . . 219 MET CB . 15719 1 729 . 1 1 89 89 MET N N 15 119.555 0.05 . 1 . . . . 219 MET N . 15719 1 730 . 1 1 90 90 THR H H 1 8.009 0.005 . 1 . . . . 220 THR H . 15719 1 731 . 1 1 90 90 THR HA H 1 4.030 0.005 . 1 . . . . 220 THR HA . 15719 1 732 . 1 1 90 90 THR HB H 1 3.855 0.005 . 1 . . . . 220 THR HB . 15719 1 733 . 1 1 90 90 THR HG21 H 1 1.832 0.005 . 1 . . . . 220 THR HG21 . 15719 1 734 . 1 1 90 90 THR HG22 H 1 1.832 0.005 . 1 . . . . 220 THR HG22 . 15719 1 735 . 1 1 90 90 THR HG23 H 1 1.832 0.005 . 1 . . . . 220 THR HG23 . 15719 1 736 . 1 1 90 90 THR C C 13 176.971 0.05 . 1 . . . . 220 THR C . 15719 1 737 . 1 1 90 90 THR CA C 13 60.021 0.05 . 1 . . . . 220 THR CA . 15719 1 738 . 1 1 90 90 THR CB C 13 68.244 0.05 . 1 . . . . 220 THR CB . 15719 1 739 . 1 1 90 90 THR CG2 C 13 19.996 0.05 . 1 . . . . 220 THR CG2 . 15719 1 740 . 1 1 90 90 THR N N 15 115.924 0.05 . 1 . . . . 220 THR N . 15719 1 741 . 1 1 91 91 ALA H H 1 8.227 0.005 . 1 . . . . 221 ALA H . 15719 1 742 . 1 1 91 91 ALA HA H 1 4.315 0.005 . 1 . . . . 221 ALA HA . 15719 1 743 . 1 1 91 91 ALA HB1 H 1 1.085 0.005 . 1 . . . . 221 ALA HB1 . 15719 1 744 . 1 1 91 91 ALA HB2 H 1 1.085 0.005 . 1 . . . . 221 ALA HB2 . 15719 1 745 . 1 1 91 91 ALA HB3 H 1 1.085 0.005 . 1 . . . . 221 ALA HB3 . 15719 1 746 . 1 1 91 91 ALA C C 13 175.258 0.05 . 1 . . . . 221 ALA C . 15719 1 747 . 1 1 91 91 ALA CA C 13 49.010 0.05 . 1 . . . . 221 ALA CA . 15719 1 748 . 1 1 91 91 ALA CB C 13 16.334 0.05 . 1 . . . . 221 ALA CB . 15719 1 749 . 1 1 91 91 ALA N N 15 128.281 0.05 . 1 . . . . 221 ALA N . 15719 1 750 . 1 1 92 92 PRO HA H 1 4.146 0.005 . 1 . . . . 222 PRO HA . 15719 1 751 . 1 1 92 92 PRO HB2 H 1 1.632 0.005 . 2 . . . . 222 PRO HB2 . 15719 1 752 . 1 1 92 92 PRO HB3 H 1 1.993 0.005 . 2 . . . . 222 PRO HB3 . 15719 1 753 . 1 1 92 92 PRO HD2 H 1 3.399 0.005 . 2 . . . . 222 PRO HD2 . 15719 1 754 . 1 1 92 92 PRO HD3 H 1 3.562 0.005 . 2 . . . . 222 PRO HD3 . 15719 1 755 . 1 1 92 92 PRO C C 13 173.246 0.05 . 1 . . . . 222 PRO C . 15719 1 756 . 1 1 92 92 PRO CA C 13 61.821 0.05 . 1 . . . . 222 PRO CA . 15719 1 757 . 1 1 92 92 PRO CB C 13 30.372 0.05 . 1 . . . . 222 PRO CB . 15719 1 758 . 1 1 92 92 PRO CD C 13 49.186 0.05 . 1 . . . . 222 PRO CD . 15719 1 759 . 1 1 92 92 PRO CG C 13 25.710 0.05 . 1 . . . . 222 PRO CG . 15719 1 760 . 1 1 93 93 GLY H H 1 8.359 0.005 . 1 . . . . 223 GLY H . 15719 1 761 . 1 1 93 93 GLY HA2 H 1 3.697 0.005 . 1 . . . . 223 GLY HA2 . 15719 1 762 . 1 1 93 93 GLY HA3 H 1 3.696 0.005 . 1 . . . . 223 GLY HA3 . 15719 1 763 . 1 1 93 93 GLY C C 13 176.495 0.05 . 1 . . . . 223 GLY C . 15719 1 764 . 1 1 93 93 GLY CA C 13 43.533 0.05 . 1 . . . . 223 GLY CA . 15719 1 765 . 1 1 93 93 GLY N N 15 109.299 0.05 . 1 . . . . 223 GLY N . 15719 1 766 . 1 1 94 94 THR H H 1 7.764 0.005 . 1 . . . . 224 THR H . 15719 1 767 . 1 1 94 94 THR HA H 1 4.013 0.005 . 1 . . . . 224 THR HA . 15719 1 768 . 1 1 94 94 THR HB H 1 3.871 0.005 . 1 . . . . 224 THR HB . 15719 1 769 . 1 1 94 94 THR HG21 H 1 0.901 0.005 . 1 . . . . 224 THR HG21 . 15719 1 770 . 1 1 94 94 THR HG22 H 1 0.901 0.005 . 1 . . . . 224 THR HG22 . 15719 1 771 . 1 1 94 94 THR HG23 H 1 0.901 0.005 . 1 . . . . 224 THR HG23 . 15719 1 772 . 1 1 94 94 THR C C 13 176.419 0.05 . 1 . . . . 224 THR C . 15719 1 773 . 1 1 94 94 THR CA C 13 60.439 0.05 . 1 . . . . 224 THR CA . 15719 1 774 . 1 1 94 94 THR CB C 13 68.387 0.05 . 1 . . . . 224 THR CB . 15719 1 775 . 1 1 94 94 THR CG2 C 13 19.757 0.05 . 1 . . . . 224 THR CG2 . 15719 1 776 . 1 1 94 94 THR N N 15 113.961 0.05 . 1 . . . . 224 THR N . 15719 1 777 . 1 1 95 95 LYS H H 1 8.226 0.005 . 1 . . . . 225 LYS H . 15719 1 778 . 1 1 95 95 LYS HA H 1 4.039 0.005 . 1 . . . . 225 LYS HA . 15719 1 779 . 1 1 95 95 LYS HB2 H 1 1.488 0.005 . 1 . . . . 225 LYS HB2 . 15719 1 780 . 1 1 95 95 LYS HB3 H 1 1.488 0.005 . 1 . . . . 225 LYS HB3 . 15719 1 781 . 1 1 95 95 LYS C C 13 174.605 0.05 . 1 . . . . 225 LYS C . 15719 1 782 . 1 1 95 95 LYS CA C 13 54.499 0.05 . 1 . . . . 225 LYS CA . 15719 1 783 . 1 1 95 95 LYS CB C 13 31.344 0.05 . 1 . . . . 225 LYS CB . 15719 1 784 . 1 1 95 95 LYS CD C 13 27.389 0.05 . 1 . . . . 225 LYS CD . 15719 1 785 . 1 1 95 95 LYS CE C 13 40.329 0.05 . 1 . . . . 225 LYS CE . 15719 1 786 . 1 1 95 95 LYS CG C 13 22.958 0.05 . 1 . . . . 225 LYS CG . 15719 1 787 . 1 1 95 95 LYS N N 15 124.450 0.05 . 1 . . . . 225 LYS N . 15719 1 788 . 1 1 96 96 ARG H H 1 8.239 0.005 . 1 . . . . 226 ARG H . 15719 1 789 . 1 1 96 96 ARG HA H 1 4.018 0.005 . 1 . . . . 226 ARG HA . 15719 1 790 . 1 1 96 96 ARG HB2 H 1 1.498 0.005 . 1 . . . . 226 ARG HB2 . 15719 1 791 . 1 1 96 96 ARG HB3 H 1 1.498 0.005 . 1 . . . . 226 ARG HB3 . 15719 1 792 . 1 1 96 96 ARG HG2 H 1 1.317 0.005 . 1 . . . . 226 ARG HG2 . 15719 1 793 . 1 1 96 96 ARG HG3 H 1 1.317 0.005 . 1 . . . . 226 ARG HG3 . 15719 1 794 . 1 1 96 96 ARG C C 13 174.907 0.05 . 1 . . . . 226 ARG C . 15719 1 795 . 1 1 96 96 ARG CA C 13 54.450 0.05 . 1 . . . . 226 ARG CA . 15719 1 796 . 1 1 96 96 ARG CB C 13 29.246 0.05 . 1 . . . . 226 ARG CB . 15719 1 797 . 1 1 96 96 ARG CD C 13 41.612 0.05 . 1 . . . . 226 ARG CD . 15719 1 798 . 1 1 96 96 ARG CG C 13 25.505 0.05 . 1 . . . . 226 ARG CG . 15719 1 799 . 1 1 96 96 ARG N N 15 123.718 0.05 . 1 . . . . 226 ARG N . 15719 1 800 . 1 1 97 97 GLN H H 1 8.347 0.005 . 1 . . . . 227 GLN H . 15719 1 801 . 1 1 97 97 GLN HA H 1 4.075 0.005 . 1 . . . . 227 GLN HA . 15719 1 802 . 1 1 97 97 GLN HB2 H 1 1.696 0.005 . 2 . . . . 227 GLN HB2 . 15719 1 803 . 1 1 97 97 GLN HB3 H 1 1.804 0.005 . 2 . . . . 227 GLN HB3 . 15719 1 804 . 1 1 97 97 GLN C C 13 175.955 0.05 . 1 . . . . 227 GLN C . 15719 1 805 . 1 1 97 97 GLN CA C 13 54.075 0.05 . 1 . . . . 227 GLN CA . 15719 1 806 . 1 1 97 97 GLN CB C 13 27.875 0.05 . 1 . . . . 227 GLN CB . 15719 1 807 . 1 1 97 97 GLN CG C 13 32.071 0.05 . 1 . . . . 227 GLN CG . 15719 1 808 . 1 1 97 97 GLN N N 15 123.433 0.05 . 1 . . . . 227 GLN N . 15719 1 809 . 1 1 98 98 ILE H H 1 7.646 0.005 . 1 . . . . 228 ILE H . 15719 1 810 . 1 1 98 98 ILE HA H 1 3.768 0.005 . 1 . . . . 228 ILE HA . 15719 1 811 . 1 1 98 98 ILE HB H 1 1.538 0.005 . 1 . . . . 228 ILE HB . 15719 1 812 . 1 1 98 98 ILE C C 13 169.782 0.05 . 1 . . . . 228 ILE C . 15719 1 813 . 1 1 98 98 ILE CA C 13 61.317 0.05 . 1 . . . . 228 ILE CA . 15719 1 814 . 1 1 98 98 ILE CB C 13 37.749 0.05 . 1 . . . . 228 ILE CB . 15719 1 815 . 1 1 98 98 ILE N N 15 127.191 0.05 . 1 . . . . 228 ILE N . 15719 1 stop_ save_