data_11548 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11548 _Entry.Title ; DESIGNED ARMADILLO REPEAT PROTEIN FRAGMENT (MAII) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-09 _Entry.Accession_date 2013-12-09 _Entry.Last_release_date 2014-07-21 _Entry.Original_release_date 2014-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the C-terminal fragment from a split Armadillo repeat protein"' _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 Oliver Zerbe . . . 11548 2 Martin Christen . T . 11548 3 Andreas Plueckthun . . . 11548 4 Randall Watson . W . 11548 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11548 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Armadillo repeat motif' . 11548 'De novo protein' . 11548 self-assembly . 11548 'solenoid repeat' . 11548 'solution complex' . 11548 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11548 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 11548 '15N chemical shifts' 64 11548 '1H chemical shifts' 456 11548 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 . . 2014-07-21 2013-12-09 original author . 11548 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11544 'Solution structure of the complex formed in solution by a split Armadillo repeat protein (YIIM2-MAII)' 11548 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11548 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24931467 _Citation.Full_citation . _Citation.Title 'Spontaneous Self-Assembly of Fragments of Engineered Armadillo Repeat Proteins into Folded Proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 22 _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 985 _Citation.Page_last 995 _Citation.Year 2014 _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 Randall Watson . W . 11548 1 2 Martin Christen . T . 11548 1 3 Christina Ewald . . . 11548 1 4 Fabian Bumback . . . 11548 1 5 Christian Reichen . . . 11548 1 6 Maja Mihajlovic . . . 11548 1 7 E. Schmidt . . . 11548 1 8 Peter Guntert . . . 11548 1 9 Amedeo Caflisch . . . 11548 1 10 Andreas Plueckthun . . . 11548 1 11 Oliver Zerbe . . . 11548 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11548 _Assembly.ID 1 _Assembly.Name MA _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 . _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 MA 1 $MA A . yes native no no . . . 11548 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RU5 . . . . 'Structure from this entry' . 11548 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MA _Entity.Sf_category entity _Entity.Sf_framecode MA _Entity.Entry_ID 11548 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNEQIQAVIDAGALPALVQL LSSPNEQILQEALWALSNIA SGGNEQKQAVKEAGALEKLE QLQSHENEKIQKEAQEALEK LQSH ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'DESIGNED ARMADILLO REPEAT PROTEIN C-TERMINAL FRAGMENT (MAII)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9104.170 _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 PDB 2RU4 . "Designed Armadillo Repeat Protein Self-assembled Complex (yiim2-maii)" . . . . . 100.00 84 100.00 100.00 5.98e-47 . . . . 11548 1 2 no PDB 2RU5 . "Designed Armadillo Repeat Protein Fragment (maii)" . . . . . 100.00 84 100.00 100.00 5.98e-47 . . . . 11548 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 1 116 GLY . 11548 1 2 117 ASN . 11548 1 3 118 GLU . 11548 1 4 119 GLN . 11548 1 5 120 ILE . 11548 1 6 121 GLN . 11548 1 7 122 ALA . 11548 1 8 123 VAL . 11548 1 9 124 ILE . 11548 1 10 125 ASP . 11548 1 11 126 ALA . 11548 1 12 127 GLY . 11548 1 13 128 ALA . 11548 1 14 129 LEU . 11548 1 15 130 PRO . 11548 1 16 131 ALA . 11548 1 17 132 LEU . 11548 1 18 133 VAL . 11548 1 19 134 GLN . 11548 1 20 135 LEU . 11548 1 21 136 LEU . 11548 1 22 137 SER . 11548 1 23 138 SER . 11548 1 24 139 PRO . 11548 1 25 140 ASN . 11548 1 26 141 GLU . 11548 1 27 142 GLN . 11548 1 28 143 ILE . 11548 1 29 144 LEU . 11548 1 30 145 GLN . 11548 1 31 146 GLU . 11548 1 32 147 ALA . 11548 1 33 148 LEU . 11548 1 34 149 TRP . 11548 1 35 150 ALA . 11548 1 36 151 LEU . 11548 1 37 152 SER . 11548 1 38 153 ASN . 11548 1 39 154 ILE . 11548 1 40 155 ALA . 11548 1 41 156 SER . 11548 1 42 157 GLY . 11548 1 43 158 GLY . 11548 1 44 159 ASN . 11548 1 45 160 GLU . 11548 1 46 161 GLN . 11548 1 47 162 LYS . 11548 1 48 163 GLN . 11548 1 49 164 ALA . 11548 1 50 165 VAL . 11548 1 51 166 LYS . 11548 1 52 167 GLU . 11548 1 53 168 ALA . 11548 1 54 169 GLY . 11548 1 55 170 ALA . 11548 1 56 171 LEU . 11548 1 57 172 GLU . 11548 1 58 173 LYS . 11548 1 59 174 LEU . 11548 1 60 175 GLU . 11548 1 61 176 GLN . 11548 1 62 177 LEU . 11548 1 63 178 GLN . 11548 1 64 179 SER . 11548 1 65 180 HIS . 11548 1 66 181 GLU . 11548 1 67 182 ASN . 11548 1 68 183 GLU . 11548 1 69 184 LYS . 11548 1 70 185 ILE . 11548 1 71 186 GLN . 11548 1 72 187 LYS . 11548 1 73 188 GLU . 11548 1 74 189 ALA . 11548 1 75 190 GLN . 11548 1 76 191 GLU . 11548 1 77 192 ALA . 11548 1 78 193 LEU . 11548 1 79 194 GLU . 11548 1 80 195 LYS . 11548 1 81 196 LEU . 11548 1 82 197 GLN . 11548 1 83 198 SER . 11548 1 84 199 HIS . 11548 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 . GLY 1 1 11548 1 . ASN 2 2 11548 1 . GLU 3 3 11548 1 . GLN 4 4 11548 1 . ILE 5 5 11548 1 . GLN 6 6 11548 1 . ALA 7 7 11548 1 . VAL 8 8 11548 1 . ILE 9 9 11548 1 . ASP 10 10 11548 1 . ALA 11 11 11548 1 . GLY 12 12 11548 1 . ALA 13 13 11548 1 . LEU 14 14 11548 1 . PRO 15 15 11548 1 . ALA 16 16 11548 1 . LEU 17 17 11548 1 . VAL 18 18 11548 1 . GLN 19 19 11548 1 . LEU 20 20 11548 1 . LEU 21 21 11548 1 . SER 22 22 11548 1 . SER 23 23 11548 1 . PRO 24 24 11548 1 . ASN 25 25 11548 1 . GLU 26 26 11548 1 . GLN 27 27 11548 1 . ILE 28 28 11548 1 . LEU 29 29 11548 1 . GLN 30 30 11548 1 . GLU 31 31 11548 1 . ALA 32 32 11548 1 . LEU 33 33 11548 1 . TRP 34 34 11548 1 . ALA 35 35 11548 1 . LEU 36 36 11548 1 . SER 37 37 11548 1 . ASN 38 38 11548 1 . ILE 39 39 11548 1 . ALA 40 40 11548 1 . SER 41 41 11548 1 . GLY 42 42 11548 1 . GLY 43 43 11548 1 . ASN 44 44 11548 1 . GLU 45 45 11548 1 . GLN 46 46 11548 1 . LYS 47 47 11548 1 . GLN 48 48 11548 1 . ALA 49 49 11548 1 . VAL 50 50 11548 1 . LYS 51 51 11548 1 . GLU 52 52 11548 1 . ALA 53 53 11548 1 . GLY 54 54 11548 1 . ALA 55 55 11548 1 . LEU 56 56 11548 1 . GLU 57 57 11548 1 . LYS 58 58 11548 1 . LEU 59 59 11548 1 . GLU 60 60 11548 1 . GLN 61 61 11548 1 . LEU 62 62 11548 1 . GLN 63 63 11548 1 . SER 64 64 11548 1 . HIS 65 65 11548 1 . GLU 66 66 11548 1 . ASN 67 67 11548 1 . GLU 68 68 11548 1 . LYS 69 69 11548 1 . ILE 70 70 11548 1 . GLN 71 71 11548 1 . LYS 72 72 11548 1 . GLU 73 73 11548 1 . ALA 74 74 11548 1 . GLN 75 75 11548 1 . GLU 76 76 11548 1 . ALA 77 77 11548 1 . LEU 78 78 11548 1 . GLU 79 79 11548 1 . LYS 80 80 11548 1 . LEU 81 81 11548 1 . GLN 82 82 11548 1 . SER 83 83 11548 1 . HIS 84 84 11548 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 11548 _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 $MA . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11548 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 11548 _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 $MA . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli M15 . . . . . . . . . . . . . . . pLIC_CR . . . . . . 11548 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11548 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% 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 MA '[U-13C; U-15N]' . . 1 $MA . protein 0.75 . . mM . . . . 11548 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11548 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 11548 1 4 glycerol 'natural abundance' . . . . . solvent 2 . . % . . . . 11548 1 5 TMSP 'natural abundance' . . . . . . 1 . . mM . . . . 11548 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11548 1 7 H2O . . . . . . solvent 88 . . % . . . . 11548 1 8 D2O . . . . . . solvent 10 . . % . . . . 11548 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 11548 _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' 285 . mM 11548 1 pH 7.4 . pH 11548 1 pressure 1 . atm 11548 1 temperature 310 . K 11548 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11548 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11548 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11548 1 processing 11548 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11548 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11548 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11548 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 11548 _Software.ID 3 _Software.Name CcpNMR _Software.Version 2.3.1 _Software.Details 'Windows version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 11548 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11548 3 'data analysis' 11548 3 'peak picking' 11548 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 11548 _Software.ID 4 _Software.Name UNIO _Software.Version 2.0.2 _Software.Details 'UNIO'10 interfaced with CYANA 3.96a' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(UNIO) Herrmann' . . 11548 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11548 4 'peak picking' 11548 4 'structure solution' 11548 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11548 _Software.ID 5 _Software.Name CYANA _Software.Version 3.96a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11548 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 11548 5 'structure solution' 11548 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11548 _Software.ID 6 _Software.Name X-PLOR_NIH _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11548 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11548 6 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 11548 _Software.ID 7 _Software.Name TALOS-N _Software.Version 4.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 11548 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11548 7 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 11548 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Institute of Organic Chemistry, University of Zuerich' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11548 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Institute of Organic Chemistry, University of Zuerich' _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 11548 _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 . 700 'Institute of Organic Chemistry, University of Zuerich' . . 11548 1 2 spectrometer_2 Bruker Avance . 600 'Institute of Organic Chemistry, University of Zuerich' . . 11548 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 11548 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11548 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11548 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11548 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11548 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11548 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 11548 _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 na indirect 0.251449530 . . . . . . . . . 11548 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11548 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11548 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_MA_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MA_shifts _Assigned_chem_shift_list.Entry_ID 11548 _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' 1 $sample_1 isotropic 11548 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11548 1 3 '3D HNCO' 1 $sample_1 isotropic 11548 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 15 15 PRO HA H 1 4.191 0.03 . 1 . . . B 130 PRO HA . 11548 1 2 . 1 1 15 15 PRO HB2 H 1 1.828 0.03 . 2 . . . B 130 PRO HB2 . 11548 1 3 . 1 1 15 15 PRO HB3 H 1 2.355 0.03 . 2 . . . B 130 PRO HB3 . 11548 1 4 . 1 1 15 15 PRO HG2 H 1 2.141 0.03 . 1 . . . B 130 PRO HG2 . 11548 1 5 . 1 1 15 15 PRO HG3 H 1 2.141 0.03 . 1 . . . B 130 PRO HG3 . 11548 1 6 . 1 1 15 15 PRO HD2 H 1 3.728 0.03 . 2 . . . B 130 PRO HD2 . 11548 1 7 . 1 1 15 15 PRO HD3 H 1 3.625 0.03 . 2 . . . B 130 PRO HD3 . 11548 1 8 . 1 1 15 15 PRO CA C 13 66.568 0.1 . 1 . . . B 130 PRO CA . 11548 1 9 . 1 1 15 15 PRO CB C 13 30.684 0.1 . 1 . . . B 130 PRO CB . 11548 1 10 . 1 1 15 15 PRO CG C 13 28.588 0.1 . 1 . . . B 130 PRO CG . 11548 1 11 . 1 1 15 15 PRO CD C 13 50.138 0.1 . 1 . . . B 130 PRO CD . 11548 1 12 . 1 1 16 16 ALA H H 1 7.195 0.03 . 1 . . . B 131 ALA H . 11548 1 13 . 1 1 16 16 ALA HA H 1 4.074 0.03 . 1 . . . B 131 ALA HA . 11548 1 14 . 1 1 16 16 ALA HB1 H 1 1.398 0.03 . 1 . . . B 131 ALA HB1 . 11548 1 15 . 1 1 16 16 ALA HB2 H 1 1.398 0.03 . 1 . . . B 131 ALA HB2 . 11548 1 16 . 1 1 16 16 ALA HB3 H 1 1.398 0.03 . 1 . . . B 131 ALA HB3 . 11548 1 17 . 1 1 16 16 ALA C C 13 179.923 0.1 . 1 . . . B 131 ALA C . 11548 1 18 . 1 1 16 16 ALA CA C 13 54.647 0.1 . 1 . . . B 131 ALA CA . 11548 1 19 . 1 1 16 16 ALA CB C 13 18.324 0.1 . 1 . . . B 131 ALA CB . 11548 1 20 . 1 1 16 16 ALA N N 15 118.736 0.3 . 1 . . . B 131 ALA N . 11548 1 21 . 1 1 17 17 LEU H H 1 7.688 0.03 . 1 . . . B 132 LEU H . 11548 1 22 . 1 1 17 17 LEU HA H 1 3.821 0.03 . 1 . . . B 132 LEU HA . 11548 1 23 . 1 1 17 17 LEU HB2 H 1 1.692 0.03 . 2 . . . B 132 LEU HB2 . 11548 1 24 . 1 1 17 17 LEU HB3 H 1 1.594 0.03 . 2 . . . B 132 LEU HB3 . 11548 1 25 . 1 1 17 17 LEU HG H 1 1.383 0.03 . 1 . . . B 132 LEU HG . 11548 1 26 . 1 1 17 17 LEU HD11 H 1 0.754 0.03 . 2 . . . B 132 LEU HD11 . 11548 1 27 . 1 1 17 17 LEU HD12 H 1 0.754 0.03 . 2 . . . B 132 LEU HD12 . 11548 1 28 . 1 1 17 17 LEU HD13 H 1 0.754 0.03 . 2 . . . B 132 LEU HD13 . 11548 1 29 . 1 1 17 17 LEU HD21 H 1 0.871 0.03 . 2 . . . B 132 LEU HD21 . 11548 1 30 . 1 1 17 17 LEU HD22 H 1 0.871 0.03 . 2 . . . B 132 LEU HD22 . 11548 1 31 . 1 1 17 17 LEU HD23 H 1 0.871 0.03 . 2 . . . B 132 LEU HD23 . 11548 1 32 . 1 1 17 17 LEU C C 13 178.348 0.1 . 1 . . . B 132 LEU C . 11548 1 33 . 1 1 17 17 LEU CA C 13 58.029 0.1 . 1 . . . B 132 LEU CA . 11548 1 34 . 1 1 17 17 LEU CB C 13 42.184 0.1 . 1 . . . B 132 LEU CB . 11548 1 35 . 1 1 17 17 LEU CG C 13 27.095 0.1 . 1 . . . B 132 LEU CG . 11548 1 36 . 1 1 17 17 LEU CD1 C 13 24.145 0.1 . 2 . . . B 132 LEU CD1 . 11548 1 37 . 1 1 17 17 LEU CD2 C 13 25.427 0.1 . 2 . . . B 132 LEU CD2 . 11548 1 38 . 1 1 17 17 LEU N N 15 119.546 0.3 . 1 . . . B 132 LEU N . 11548 1 39 . 1 1 18 18 VAL H H 1 8.041 0.03 . 1 . . . B 133 VAL H . 11548 1 40 . 1 1 18 18 VAL HA H 1 3.313 0.03 . 1 . . . B 133 VAL HA . 11548 1 41 . 1 1 18 18 VAL HB H 1 2.063 0.03 . 1 . . . B 133 VAL HB . 11548 1 42 . 1 1 18 18 VAL HG11 H 1 0.735 0.03 . 2 . . . B 133 VAL HG11 . 11548 1 43 . 1 1 18 18 VAL HG12 H 1 0.735 0.03 . 2 . . . B 133 VAL HG12 . 11548 1 44 . 1 1 18 18 VAL HG13 H 1 0.735 0.03 . 2 . . . B 133 VAL HG13 . 11548 1 45 . 1 1 18 18 VAL HG21 H 1 0.832 0.03 . 2 . . . B 133 VAL HG21 . 11548 1 46 . 1 1 18 18 VAL HG22 H 1 0.832 0.03 . 2 . . . B 133 VAL HG22 . 11548 1 47 . 1 1 18 18 VAL HG23 H 1 0.832 0.03 . 2 . . . B 133 VAL HG23 . 11548 1 48 . 1 1 18 18 VAL C C 13 179.116 0.1 . 1 . . . B 133 VAL C . 11548 1 49 . 1 1 18 18 VAL CA C 13 66.675 0.1 . 1 . . . B 133 VAL CA . 11548 1 50 . 1 1 18 18 VAL CB C 13 31.168 0.1 . 1 . . . B 133 VAL CB . 11548 1 51 . 1 1 18 18 VAL CG1 C 13 23.794 0.1 . 2 . . . B 133 VAL CG1 . 11548 1 52 . 1 1 18 18 VAL CG2 C 13 21.564 0.1 . 2 . . . B 133 VAL CG2 . 11548 1 53 . 1 1 18 18 VAL N N 15 116.318 0.3 . 1 . . . B 133 VAL N . 11548 1 54 . 1 1 19 19 GLN H H 1 7.713 0.03 . 1 . . . B 134 GLN H . 11548 1 55 . 1 1 19 19 GLN HA H 1 3.976 0.03 . 1 . . . B 134 GLN HA . 11548 1 56 . 1 1 19 19 GLN HB2 H 1 2.104 0.03 . 2 . . . B 134 GLN HB2 . 11548 1 57 . 1 1 19 19 GLN HB3 H 1 2.163 0.03 . 2 . . . B 134 GLN HB3 . 11548 1 58 . 1 1 19 19 GLN HG2 H 1 2.41 0.03 . 2 . . . B 134 GLN HG2 . 11548 1 59 . 1 1 19 19 GLN HG3 H 1 2.414 0.03 . 2 . . . B 134 GLN HG3 . 11548 1 60 . 1 1 19 19 GLN C C 13 179.131 0.1 . 1 . . . B 134 GLN C . 11548 1 61 . 1 1 19 19 GLN CA C 13 58.841 0.1 . 1 . . . B 134 GLN CA . 11548 1 62 . 1 1 19 19 GLN CB C 13 28.503 0.1 . 1 . . . B 134 GLN CB . 11548 1 63 . 1 1 19 19 GLN CG C 13 33.413 0.1 . 1 . . . B 134 GLN CG . 11548 1 64 . 1 1 19 19 GLN N N 15 118.604 0.3 . 1 . . . B 134 GLN N . 11548 1 65 . 1 1 20 20 LEU H H 1 7.546 0.03 . 1 . . . B 135 LEU H . 11548 1 66 . 1 1 20 20 LEU HA H 1 4.017 0.03 . 1 . . . B 135 LEU HA . 11548 1 67 . 1 1 20 20 LEU HB2 H 1 1.34 0.03 . 2 . . . B 135 LEU HB2 . 11548 1 68 . 1 1 20 20 LEU HB3 H 1 2.043 0.03 . 2 . . . B 135 LEU HB3 . 11548 1 69 . 1 1 20 20 LEU HG H 1 0.735 0.03 . 1 . . . B 135 LEU HG . 11548 1 70 . 1 1 20 20 LEU HD11 H 1 0.829 0.03 . 2 . . . B 135 LEU HD11 . 11548 1 71 . 1 1 20 20 LEU HD12 H 1 0.829 0.03 . 2 . . . B 135 LEU HD12 . 11548 1 72 . 1 1 20 20 LEU HD13 H 1 0.829 0.03 . 2 . . . B 135 LEU HD13 . 11548 1 73 . 1 1 20 20 LEU HD21 H 1 0.735 0.03 . 2 . . . B 135 LEU HD21 . 11548 1 74 . 1 1 20 20 LEU HD22 H 1 0.735 0.03 . 2 . . . B 135 LEU HD22 . 11548 1 75 . 1 1 20 20 LEU HD23 H 1 0.735 0.03 . 2 . . . B 135 LEU HD23 . 11548 1 76 . 1 1 20 20 LEU C C 13 177.925 0.1 . 1 . . . B 135 LEU C . 11548 1 77 . 1 1 20 20 LEU CA C 13 56.957 0.1 . 1 . . . B 135 LEU CA . 11548 1 78 . 1 1 20 20 LEU CB C 13 41.243 0.1 . 1 . . . B 135 LEU CB . 11548 1 79 . 1 1 20 20 LEU CG C 13 25.963 0.1 . 1 . . . B 135 LEU CG . 11548 1 80 . 1 1 20 20 LEU CD1 C 13 21.641 0.1 . 2 . . . B 135 LEU CD1 . 11548 1 81 . 1 1 20 20 LEU CD2 C 13 21.587 0.1 . 2 . . . B 135 LEU CD2 . 11548 1 82 . 1 1 20 20 LEU N N 15 119.746 0.3 . 1 . . . B 135 LEU N . 11548 1 83 . 1 1 21 21 LEU H H 1 7.449 0.03 . 1 . . . B 136 LEU H . 11548 1 84 . 1 1 21 21 LEU HA H 1 4.133 0.03 . 1 . . . B 136 LEU HA . 11548 1 85 . 1 1 21 21 LEU HB2 H 1 1.417 0.03 . 2 . . . B 136 LEU HB2 . 11548 1 86 . 1 1 21 21 LEU HB3 H 1 1.959 0.03 . 2 . . . B 136 LEU HB3 . 11548 1 87 . 1 1 21 21 LEU HD11 H 1 0.617 0.03 . 2 . . . B 136 LEU HD11 . 11548 1 88 . 1 1 21 21 LEU HD12 H 1 0.617 0.03 . 2 . . . B 136 LEU HD12 . 11548 1 89 . 1 1 21 21 LEU HD13 H 1 0.617 0.03 . 2 . . . B 136 LEU HD13 . 11548 1 90 . 1 1 21 21 LEU HD21 H 1 0.636 0.03 . 2 . . . B 136 LEU HD21 . 11548 1 91 . 1 1 21 21 LEU HD22 H 1 0.636 0.03 . 2 . . . B 136 LEU HD22 . 11548 1 92 . 1 1 21 21 LEU HD23 H 1 0.636 0.03 . 2 . . . B 136 LEU HD23 . 11548 1 93 . 1 1 21 21 LEU C C 13 176.56 0.1 . 1 . . . B 136 LEU C . 11548 1 94 . 1 1 21 21 LEU CA C 13 56.046 0.1 . 1 . . . B 136 LEU CA . 11548 1 95 . 1 1 21 21 LEU CB C 13 40.713 0.1 . 1 . . . B 136 LEU CB . 11548 1 96 . 1 1 21 21 LEU CG C 13 26.026 0.1 . 1 . . . B 136 LEU CG . 11548 1 97 . 1 1 21 21 LEU CD1 C 13 22.591 0.1 . 2 . . . B 136 LEU CD1 . 11548 1 98 . 1 1 21 21 LEU CD2 C 13 22.214 0.1 . 2 . . . B 136 LEU CD2 . 11548 1 99 . 1 1 21 21 LEU N N 15 115.553 0.3 . 1 . . . B 136 LEU N . 11548 1 100 . 1 1 22 22 SER H H 1 7.35 0.03 . 1 . . . B 137 SER H . 11548 1 101 . 1 1 22 22 SER HA H 1 4.601 0.03 . 1 . . . B 137 SER HA . 11548 1 102 . 1 1 22 22 SER HB2 H 1 3.859 0.03 . 2 . . . B 137 SER HB2 . 11548 1 103 . 1 1 22 22 SER HB3 H 1 3.957 0.03 . 2 . . . B 137 SER HB3 . 11548 1 104 . 1 1 22 22 SER C C 13 174.144 0.1 . 1 . . . B 137 SER C . 11548 1 105 . 1 1 22 22 SER CA C 13 57.715 0.1 . 1 . . . B 137 SER CA . 11548 1 106 . 1 1 22 22 SER CB C 13 63.656 0.1 . 1 . . . B 137 SER CB . 11548 1 107 . 1 1 22 22 SER N N 15 111.03 0.3 . 1 . . . B 137 SER N . 11548 1 108 . 1 1 23 23 SER H H 1 7.509 0.03 . 1 . . . B 138 SER H . 11548 1 109 . 1 1 23 23 SER HA H 1 4.446 0.03 . 1 . . . B 138 SER HA . 11548 1 110 . 1 1 23 23 SER HB2 H 1 4.114 0.03 . 2 . . . B 138 SER HB2 . 11548 1 111 . 1 1 23 23 SER HB3 H 1 3.704 0.03 . 2 . . . B 138 SER HB3 . 11548 1 112 . 1 1 23 23 SER C C 13 174.714 0.1 . 1 . . . B 138 SER C . 11548 1 113 . 1 1 23 23 SER CA C 13 56.795 0.1 . 1 . . . B 138 SER CA . 11548 1 114 . 1 1 23 23 SER CB C 13 65.085 0.1 . 1 . . . B 138 SER CB . 11548 1 115 . 1 1 23 23 SER N N 15 117.97 0.3 . 1 . . . B 138 SER N . 11548 1 116 . 1 1 24 24 PRO HA H 1 4.563 0.03 . 1 . . . B 139 PRO HA . 11548 1 117 . 1 1 24 24 PRO HB2 H 1 2.239 0.03 . 1 . . . B 139 PRO HB2 . 11548 1 118 . 1 1 24 24 PRO HB3 H 1 2.239 0.03 . 1 . . . B 139 PRO HB3 . 11548 1 119 . 1 1 24 24 PRO HG2 H 1 1.925 0.03 . 2 . . . B 139 PRO HG2 . 11548 1 120 . 1 1 24 24 PRO HG3 H 1 2.006 0.03 . 2 . . . B 139 PRO HG3 . 11548 1 121 . 1 1 24 24 PRO HD2 H 1 3.82 0.03 . 1 . . . B 139 PRO HD2 . 11548 1 122 . 1 1 24 24 PRO HD3 H 1 3.82 0.03 . 1 . . . B 139 PRO HD3 . 11548 1 123 . 1 1 24 24 PRO CA C 13 63.153 0.1 . 1 . . . B 139 PRO CA . 11548 1 124 . 1 1 24 24 PRO CB C 13 31.769 0.1 . 1 . . . B 139 PRO CB . 11548 1 125 . 1 1 24 24 PRO CG C 13 26.664 0.1 . 1 . . . B 139 PRO CG . 11548 1 126 . 1 1 24 24 PRO CD C 13 50.797 0.1 . 1 . . . B 139 PRO CD . 11548 1 127 . 1 1 25 25 ASN H H 1 8.203 0.03 . 1 . . . B 140 ASN H . 11548 1 128 . 1 1 25 25 ASN HA H 1 4.641 0.03 . 1 . . . B 140 ASN HA . 11548 1 129 . 1 1 25 25 ASN HB2 H 1 2.609 0.03 . 2 . . . B 140 ASN HB2 . 11548 1 130 . 1 1 25 25 ASN HB3 H 1 2.96 0.03 . 2 . . . B 140 ASN HB3 . 11548 1 131 . 1 1 25 25 ASN C C 13 175.005 0.1 . 1 . . . B 140 ASN C . 11548 1 132 . 1 1 25 25 ASN CA C 13 52.725 0.1 . 1 . . . B 140 ASN CA . 11548 1 133 . 1 1 25 25 ASN CB C 13 39.135 0.1 . 1 . . . B 140 ASN CB . 11548 1 134 . 1 1 25 25 ASN N N 15 120.229 0.3 . 1 . . . B 140 ASN N . 11548 1 135 . 1 1 26 26 GLU H H 1 8.982 0.03 . 1 . . . B 141 GLU H . 11548 1 136 . 1 1 26 26 GLU HA H 1 3.801 0.03 . 1 . . . B 141 GLU HA . 11548 1 137 . 1 1 26 26 GLU HB2 H 1 2.041 0.03 . 2 . . . B 141 GLU HB2 . 11548 1 138 . 1 1 26 26 GLU HB3 H 1 1.964 0.03 . 2 . . . B 141 GLU HB3 . 11548 1 139 . 1 1 26 26 GLU HG2 H 1 2.18 0.03 . 2 . . . B 141 GLU HG2 . 11548 1 140 . 1 1 26 26 GLU HG3 H 1 2.434 0.03 . 2 . . . B 141 GLU HG3 . 11548 1 141 . 1 1 26 26 GLU C C 13 177.837 0.1 . 1 . . . B 141 GLU C . 11548 1 142 . 1 1 26 26 GLU CA C 13 59.906 0.1 . 1 . . . B 141 GLU CA . 11548 1 143 . 1 1 26 26 GLU CB C 13 29.641 0.1 . 1 . . . B 141 GLU CB . 11548 1 144 . 1 1 26 26 GLU CG C 13 37.411 0.1 . 1 . . . B 141 GLU CG . 11548 1 145 . 1 1 26 26 GLU N N 15 126.351 0.3 . 1 . . . B 141 GLU N . 11548 1 146 . 1 1 27 27 GLN H H 1 8.078 0.03 . 1 . . . B 142 GLN H . 11548 1 147 . 1 1 27 27 GLN HA H 1 4.006 0.03 . 1 . . . B 142 GLN HA . 11548 1 148 . 1 1 27 27 GLN HB2 H 1 2.158 0.03 . 2 . . . B 142 GLN HB2 . 11548 1 149 . 1 1 27 27 GLN HB3 H 1 2.061 0.03 . 2 . . . B 142 GLN HB3 . 11548 1 150 . 1 1 27 27 GLN HG2 H 1 2.337 0.03 . 2 . . . B 142 GLN HG2 . 11548 1 151 . 1 1 27 27 GLN HG3 H 1 2.317 0.03 . 2 . . . B 142 GLN HG3 . 11548 1 152 . 1 1 27 27 GLN C C 13 178.354 0.1 . 1 . . . B 142 GLN C . 11548 1 153 . 1 1 27 27 GLN CA C 13 59.318 0.1 . 1 . . . B 142 GLN CA . 11548 1 154 . 1 1 27 27 GLN CB C 13 27.987 0.1 . 1 . . . B 142 GLN CB . 11548 1 155 . 1 1 27 27 GLN CG C 13 33.702 0.1 . 1 . . . B 142 GLN CG . 11548 1 156 . 1 1 27 27 GLN N N 15 119.317 0.3 . 1 . . . B 142 GLN N . 11548 1 157 . 1 1 28 28 ILE H H 1 7.268 0.03 . 1 . . . B 143 ILE H . 11548 1 158 . 1 1 28 28 ILE HA H 1 3.605 0.03 . 1 . . . B 143 ILE HA . 11548 1 159 . 1 1 28 28 ILE HB H 1 2.024 0.03 . 1 . . . B 143 ILE HB . 11548 1 160 . 1 1 28 28 ILE HG12 H 1 1.477 0.03 . 2 . . . B 143 ILE HG12 . 11548 1 161 . 1 1 28 28 ILE HG13 H 1 1.085 0.03 . 2 . . . B 143 ILE HG13 . 11548 1 162 . 1 1 28 28 ILE HG21 H 1 0.93 0.03 . 1 . . . B 143 ILE HG21 . 11548 1 163 . 1 1 28 28 ILE HG22 H 1 0.93 0.03 . 1 . . . B 143 ILE HG22 . 11548 1 164 . 1 1 28 28 ILE HG23 H 1 0.93 0.03 . 1 . . . B 143 ILE HG23 . 11548 1 165 . 1 1 28 28 ILE HD11 H 1 0.793 0.03 . 1 . . . B 143 ILE HD11 . 11548 1 166 . 1 1 28 28 ILE HD12 H 1 0.793 0.03 . 1 . . . B 143 ILE HD12 . 11548 1 167 . 1 1 28 28 ILE HD13 H 1 0.793 0.03 . 1 . . . B 143 ILE HD13 . 11548 1 168 . 1 1 28 28 ILE C C 13 177.835 0.1 . 1 . . . B 143 ILE C . 11548 1 169 . 1 1 28 28 ILE CA C 13 64.047 0.1 . 1 . . . B 143 ILE CA . 11548 1 170 . 1 1 28 28 ILE CB C 13 37.118 0.1 . 1 . . . B 143 ILE CB . 11548 1 171 . 1 1 28 28 ILE CG1 C 13 28.585 0.1 . 1 . . . B 143 ILE CG1 . 11548 1 172 . 1 1 28 28 ILE CG2 C 13 18.119 0.1 . 1 . . . B 143 ILE CG2 . 11548 1 173 . 1 1 28 28 ILE CD1 C 13 11.87 0.1 . 1 . . . B 143 ILE CD1 . 11548 1 174 . 1 1 28 28 ILE N N 15 121.254 0.3 . 1 . . . B 143 ILE N . 11548 1 175 . 1 1 29 29 LEU H H 1 8.045 0.03 . 1 . . . B 144 LEU H . 11548 1 176 . 1 1 29 29 LEU HA H 1 3.898 0.03 . 1 . . . B 144 LEU HA . 11548 1 177 . 1 1 29 29 LEU HB2 H 1 1.781 0.03 . 2 . . . B 144 LEU HB2 . 11548 1 178 . 1 1 29 29 LEU HB3 H 1 1.378 0.03 . 2 . . . B 144 LEU HB3 . 11548 1 179 . 1 1 29 29 LEU HG H 1 2.042 0.03 . 1 . . . B 144 LEU HG . 11548 1 180 . 1 1 29 29 LEU HD11 H 1 0.905 0.03 . 2 . . . B 144 LEU HD11 . 11548 1 181 . 1 1 29 29 LEU HD12 H 1 0.905 0.03 . 2 . . . B 144 LEU HD12 . 11548 1 182 . 1 1 29 29 LEU HD13 H 1 0.905 0.03 . 2 . . . B 144 LEU HD13 . 11548 1 183 . 1 1 29 29 LEU HD21 H 1 0.871 0.03 . 2 . . . B 144 LEU HD21 . 11548 1 184 . 1 1 29 29 LEU HD22 H 1 0.871 0.03 . 2 . . . B 144 LEU HD22 . 11548 1 185 . 1 1 29 29 LEU HD23 H 1 0.871 0.03 . 2 . . . B 144 LEU HD23 . 11548 1 186 . 1 1 29 29 LEU C C 13 178.86 0.1 . 1 . . . B 144 LEU C . 11548 1 187 . 1 1 29 29 LEU CA C 13 58.797 0.1 . 1 . . . B 144 LEU CA . 11548 1 188 . 1 1 29 29 LEU CB C 13 43.025 0.1 . 1 . . . B 144 LEU CB . 11548 1 189 . 1 1 29 29 LEU CG C 13 27.625 0.1 . 1 . . . B 144 LEU CG . 11548 1 190 . 1 1 29 29 LEU CD1 C 13 25.862 0.1 . 2 . . . B 144 LEU CD1 . 11548 1 191 . 1 1 29 29 LEU CD2 C 13 26.111 0.1 . 2 . . . B 144 LEU CD2 . 11548 1 192 . 1 1 29 29 LEU N N 15 120.375 0.3 . 1 . . . B 144 LEU N . 11548 1 193 . 1 1 30 30 GLN H H 1 7.905 0.03 . 1 . . . B 145 GLN H . 11548 1 194 . 1 1 30 30 GLN HA H 1 3.545 0.03 . 1 . . . B 145 GLN HA . 11548 1 195 . 1 1 30 30 GLN HB2 H 1 1.793 0.03 . 2 . . . B 145 GLN HB2 . 11548 1 196 . 1 1 30 30 GLN HB3 H 1 1.887 0.03 . 2 . . . B 145 GLN HB3 . 11548 1 197 . 1 1 30 30 GLN HG2 H 1 1.829 0.03 . 2 . . . B 145 GLN HG2 . 11548 1 198 . 1 1 30 30 GLN HG3 H 1 1.965 0.03 . 2 . . . B 145 GLN HG3 . 11548 1 199 . 1 1 30 30 GLN C C 13 177.875 0.1 . 1 . . . B 145 GLN C . 11548 1 200 . 1 1 30 30 GLN CA C 13 59.735 0.1 . 1 . . . B 145 GLN CA . 11548 1 201 . 1 1 30 30 GLN CB C 13 28.985 0.1 . 1 . . . B 145 GLN CB . 11548 1 202 . 1 1 30 30 GLN CG C 13 35.023 0.1 . 1 . . . B 145 GLN CG . 11548 1 203 . 1 1 30 30 GLN N N 15 116.019 0.3 . 1 . . . B 145 GLN N . 11548 1 204 . 1 1 31 31 GLU H H 1 7.655 0.03 . 1 . . . B 146 GLU H . 11548 1 205 . 1 1 31 31 GLU HA H 1 3.564 0.03 . 1 . . . B 146 GLU HA . 11548 1 206 . 1 1 31 31 GLU HB2 H 1 2.161 0.03 . 2 . . . B 146 GLU HB2 . 11548 1 207 . 1 1 31 31 GLU HB3 H 1 2.238 0.03 . 2 . . . B 146 GLU HB3 . 11548 1 208 . 1 1 31 31 GLU HG2 H 1 2.414 0.03 . 2 . . . B 146 GLU HG2 . 11548 1 209 . 1 1 31 31 GLU HG3 H 1 2.374 0.03 . 2 . . . B 146 GLU HG3 . 11548 1 210 . 1 1 31 31 GLU C C 13 179.458 0.1 . 1 . . . B 146 GLU C . 11548 1 211 . 1 1 31 31 GLU CA C 13 59.59 0.1 . 1 . . . B 146 GLU CA . 11548 1 212 . 1 1 31 31 GLU CB C 13 28.736 0.1 . 1 . . . B 146 GLU CB . 11548 1 213 . 1 1 31 31 GLU CG C 13 34.029 0.1 . 1 . . . B 146 GLU CG . 11548 1 214 . 1 1 31 31 GLU N N 15 119.099 0.3 . 1 . . . B 146 GLU N . 11548 1 215 . 1 1 32 32 ALA H H 1 8.485 0.03 . 1 . . . B 147 ALA H . 11548 1 216 . 1 1 32 32 ALA HA H 1 4.01 0.03 . 1 . . . B 147 ALA HA . 11548 1 217 . 1 1 32 32 ALA HB1 H 1 1.515 0.03 . 1 . . . B 147 ALA HB1 . 11548 1 218 . 1 1 32 32 ALA HB2 H 1 1.515 0.03 . 1 . . . B 147 ALA HB2 . 11548 1 219 . 1 1 32 32 ALA HB3 H 1 1.515 0.03 . 1 . . . B 147 ALA HB3 . 11548 1 220 . 1 1 32 32 ALA C C 13 179.081 0.1 . 1 . . . B 147 ALA C . 11548 1 221 . 1 1 32 32 ALA CA C 13 55.206 0.1 . 1 . . . B 147 ALA CA . 11548 1 222 . 1 1 32 32 ALA CB C 13 17.918 0.1 . 1 . . . B 147 ALA CB . 11548 1 223 . 1 1 32 32 ALA N N 15 123.843 0.3 . 1 . . . B 147 ALA N . 11548 1 224 . 1 1 33 33 LEU H H 1 8.428 0.03 . 1 . . . B 148 LEU H . 11548 1 225 . 1 1 33 33 LEU HA H 1 3.763 0.03 . 1 . . . B 148 LEU HA . 11548 1 226 . 1 1 33 33 LEU HB2 H 1 1.594 0.03 . 2 . . . B 148 LEU HB2 . 11548 1 227 . 1 1 33 33 LEU HB3 H 1 1.494 0.03 . 2 . . . B 148 LEU HB3 . 11548 1 228 . 1 1 33 33 LEU HG H 1 1.769 0.03 . 1 . . . B 148 LEU HG . 11548 1 229 . 1 1 33 33 LEU HD11 H 1 0.753 0.03 . 2 . . . B 148 LEU HD11 . 11548 1 230 . 1 1 33 33 LEU HD12 H 1 0.753 0.03 . 2 . . . B 148 LEU HD12 . 11548 1 231 . 1 1 33 33 LEU HD13 H 1 0.753 0.03 . 2 . . . B 148 LEU HD13 . 11548 1 232 . 1 1 33 33 LEU HD21 H 1 0.675 0.03 . 2 . . . B 148 LEU HD21 . 11548 1 233 . 1 1 33 33 LEU HD22 H 1 0.675 0.03 . 2 . . . B 148 LEU HD22 . 11548 1 234 . 1 1 33 33 LEU HD23 H 1 0.675 0.03 . 2 . . . B 148 LEU HD23 . 11548 1 235 . 1 1 33 33 LEU C C 13 178.984 0.1 . 1 . . . B 148 LEU C . 11548 1 236 . 1 1 33 33 LEU CA C 13 58.351 0.1 . 1 . . . B 148 LEU CA . 11548 1 237 . 1 1 33 33 LEU CB C 13 42.004 0.1 . 1 . . . B 148 LEU CB . 11548 1 238 . 1 1 33 33 LEU CG C 13 26.826 0.1 . 1 . . . B 148 LEU CG . 11548 1 239 . 1 1 33 33 LEU CD1 C 13 25.492 0.1 . 1 . . . B 148 LEU CD1 . 11548 1 240 . 1 1 33 33 LEU CD2 C 13 25.492 0.1 . 1 . . . B 148 LEU CD2 . 11548 1 241 . 1 1 33 33 LEU N N 15 119.291 0.3 . 1 . . . B 148 LEU N . 11548 1 242 . 1 1 34 34 TRP H H 1 8.261 0.03 . 1 . . . B 149 TRP H . 11548 1 243 . 1 1 34 34 TRP HA H 1 4.328 0.03 . 1 . . . B 149 TRP HA . 11548 1 244 . 1 1 34 34 TRP HB2 H 1 3.293 0.03 . 2 . . . B 149 TRP HB2 . 11548 1 245 . 1 1 34 34 TRP HB3 H 1 3.332 0.03 . 2 . . . B 149 TRP HB3 . 11548 1 246 . 1 1 34 34 TRP C C 13 178.973 0.1 . 1 . . . B 149 TRP C . 11548 1 247 . 1 1 34 34 TRP CA C 13 60.099 0.1 . 1 . . . B 149 TRP CA . 11548 1 248 . 1 1 34 34 TRP CB C 13 28.496 0.1 . 1 . . . B 149 TRP CB . 11548 1 249 . 1 1 34 34 TRP N N 15 120.836 0.3 . 1 . . . B 149 TRP N . 11548 1 250 . 1 1 35 35 ALA H H 1 8.057 0.03 . 1 . . . B 150 ALA H . 11548 1 251 . 1 1 35 35 ALA HA H 1 4.017 0.03 . 1 . . . B 150 ALA HA . 11548 1 252 . 1 1 35 35 ALA HB1 H 1 1.365 0.03 . 1 . . . B 150 ALA HB1 . 11548 1 253 . 1 1 35 35 ALA HB2 H 1 1.365 0.03 . 1 . . . B 150 ALA HB2 . 11548 1 254 . 1 1 35 35 ALA HB3 H 1 1.365 0.03 . 1 . . . B 150 ALA HB3 . 11548 1 255 . 1 1 35 35 ALA C C 13 180.491 0.1 . 1 . . . B 150 ALA C . 11548 1 256 . 1 1 35 35 ALA CA C 13 55.264 0.1 . 1 . . . B 150 ALA CA . 11548 1 257 . 1 1 35 35 ALA CB C 13 18.389 0.1 . 1 . . . B 150 ALA CB . 11548 1 258 . 1 1 35 35 ALA N N 15 121.683 0.3 . 1 . . . B 150 ALA N . 11548 1 259 . 1 1 36 36 LEU H H 1 8.592 0.03 . 1 . . . B 151 LEU H . 11548 1 260 . 1 1 36 36 LEU HA H 1 3.994 0.03 . 1 . . . B 151 LEU HA . 11548 1 261 . 1 1 36 36 LEU HB2 H 1 1.516 0.03 . 2 . . . B 151 LEU HB2 . 11548 1 262 . 1 1 36 36 LEU HB3 H 1 1.788 0.03 . 2 . . . B 151 LEU HB3 . 11548 1 263 . 1 1 36 36 LEU HG H 1 1.512 0.03 . 1 . . . B 151 LEU HG . 11548 1 264 . 1 1 36 36 LEU HD11 H 1 0.618 0.03 . 2 . . . B 151 LEU HD11 . 11548 1 265 . 1 1 36 36 LEU HD12 H 1 0.618 0.03 . 2 . . . B 151 LEU HD12 . 11548 1 266 . 1 1 36 36 LEU HD13 H 1 0.618 0.03 . 2 . . . B 151 LEU HD13 . 11548 1 267 . 1 1 36 36 LEU HD21 H 1 0.764 0.03 . 2 . . . B 151 LEU HD21 . 11548 1 268 . 1 1 36 36 LEU HD22 H 1 0.764 0.03 . 2 . . . B 151 LEU HD22 . 11548 1 269 . 1 1 36 36 LEU HD23 H 1 0.764 0.03 . 2 . . . B 151 LEU HD23 . 11548 1 270 . 1 1 36 36 LEU C C 13 178.608 0.1 . 1 . . . B 151 LEU C . 11548 1 271 . 1 1 36 36 LEU CA C 13 57.91 0.1 . 1 . . . B 151 LEU CA . 11548 1 272 . 1 1 36 36 LEU CB C 13 42.123 0.1 . 1 . . . B 151 LEU CB . 11548 1 273 . 1 1 36 36 LEU CG C 13 27.024 0.1 . 1 . . . B 151 LEU CG . 11548 1 274 . 1 1 36 36 LEU CD1 C 13 25.474 0.1 . 2 . . . B 151 LEU CD1 . 11548 1 275 . 1 1 36 36 LEU CD2 C 13 23.608 0.1 . 2 . . . B 151 LEU CD2 . 11548 1 276 . 1 1 36 36 LEU N N 15 119.006 0.3 . 1 . . . B 151 LEU N . 11548 1 277 . 1 1 37 37 SER H H 1 8.498 0.03 . 1 . . . B 152 SER H . 11548 1 278 . 1 1 37 37 SER HB2 H 1 3.86 0.03 . 1 . . . B 152 SER HB2 . 11548 1 279 . 1 1 37 37 SER HB3 H 1 3.86 0.03 . 1 . . . B 152 SER HB3 . 11548 1 280 . 1 1 37 37 SER C C 13 176.97 0.1 . 1 . . . B 152 SER C . 11548 1 281 . 1 1 37 37 SER CA C 13 61.683 0.1 . 1 . . . B 152 SER CA . 11548 1 282 . 1 1 37 37 SER CB C 13 63.117 0.1 . 1 . . . B 152 SER CB . 11548 1 283 . 1 1 37 37 SER N N 15 114.706 0.3 . 1 . . . B 152 SER N . 11548 1 284 . 1 1 38 38 ASN H H 1 7.729 0.03 . 1 . . . B 153 ASN H . 11548 1 285 . 1 1 38 38 ASN HA H 1 4.25 0.03 . 1 . . . B 153 ASN HA . 11548 1 286 . 1 1 38 38 ASN HB2 H 1 2.451 0.03 . 2 . . . B 153 ASN HB2 . 11548 1 287 . 1 1 38 38 ASN HB3 H 1 2.531 0.03 . 2 . . . B 153 ASN HB3 . 11548 1 288 . 1 1 38 38 ASN C C 13 178.479 0.1 . 1 . . . B 153 ASN C . 11548 1 289 . 1 1 38 38 ASN CA C 13 56.298 0.1 . 1 . . . B 153 ASN CA . 11548 1 290 . 1 1 38 38 ASN CB C 13 38.347 0.1 . 1 . . . B 153 ASN CB . 11548 1 291 . 1 1 38 38 ASN N N 15 118.607 0.3 . 1 . . . B 153 ASN N . 11548 1 292 . 1 1 39 39 ILE H H 1 8.007 0.03 . 1 . . . B 154 ILE H . 11548 1 293 . 1 1 39 39 ILE HA H 1 3.626 0.03 . 1 . . . B 154 ILE HA . 11548 1 294 . 1 1 39 39 ILE HB H 1 1.789 0.03 . 1 . . . B 154 ILE HB . 11548 1 295 . 1 1 39 39 ILE HG12 H 1 0.988 0.03 . 1 . . . B 154 ILE HG12 . 11548 1 296 . 1 1 39 39 ILE HG13 H 1 0.988 0.03 . 1 . . . B 154 ILE HG13 . 11548 1 297 . 1 1 39 39 ILE HG21 H 1 0.734 0.03 . 1 . . . B 154 ILE HG21 . 11548 1 298 . 1 1 39 39 ILE HG22 H 1 0.734 0.03 . 1 . . . B 154 ILE HG22 . 11548 1 299 . 1 1 39 39 ILE HG23 H 1 0.734 0.03 . 1 . . . B 154 ILE HG23 . 11548 1 300 . 1 1 39 39 ILE HD11 H 1 0.657 0.03 . 1 . . . B 154 ILE HD11 . 11548 1 301 . 1 1 39 39 ILE HD12 H 1 0.657 0.03 . 1 . . . B 154 ILE HD12 . 11548 1 302 . 1 1 39 39 ILE HD13 H 1 0.657 0.03 . 1 . . . B 154 ILE HD13 . 11548 1 303 . 1 1 39 39 ILE C C 13 178.381 0.1 . 1 . . . B 154 ILE C . 11548 1 304 . 1 1 39 39 ILE CA C 13 64.965 0.1 . 1 . . . B 154 ILE CA . 11548 1 305 . 1 1 39 39 ILE CB C 13 38.288 0.1 . 1 . . . B 154 ILE CB . 11548 1 306 . 1 1 39 39 ILE CG1 C 13 29.206 0.1 . 1 . . . B 154 ILE CG1 . 11548 1 307 . 1 1 39 39 ILE CG2 C 13 17.554 0.1 . 1 . . . B 154 ILE CG2 . 11548 1 308 . 1 1 39 39 ILE CD1 C 13 13.756 0.1 . 1 . . . B 154 ILE CD1 . 11548 1 309 . 1 1 39 39 ILE N N 15 122.229 0.3 . 1 . . . B 154 ILE N . 11548 1 310 . 1 1 40 40 ALA H H 1 8.243 0.03 . 1 . . . B 155 ALA H . 11548 1 311 . 1 1 40 40 ALA HA H 1 3.744 0.03 . 1 . . . B 155 ALA HA . 11548 1 312 . 1 1 40 40 ALA HB1 H 1 1.36 0.03 . 1 . . . B 155 ALA HB1 . 11548 1 313 . 1 1 40 40 ALA HB2 H 1 1.36 0.03 . 1 . . . B 155 ALA HB2 . 11548 1 314 . 1 1 40 40 ALA HB3 H 1 1.36 0.03 . 1 . . . B 155 ALA HB3 . 11548 1 315 . 1 1 40 40 ALA C C 13 176.53 0.1 . 1 . . . B 155 ALA C . 11548 1 316 . 1 1 40 40 ALA CA C 13 54.031 0.1 . 1 . . . B 155 ALA CA . 11548 1 317 . 1 1 40 40 ALA CB C 13 18.55 0.1 . 1 . . . B 155 ALA CB . 11548 1 318 . 1 1 40 40 ALA N N 15 119.939 0.3 . 1 . . . B 155 ALA N . 11548 1 319 . 1 1 41 41 SER H H 1 7.316 0.03 . 1 . . . B 156 SER H . 11548 1 320 . 1 1 41 41 SER HA H 1 4.348 0.03 . 1 . . . B 156 SER HA . 11548 1 321 . 1 1 41 41 SER HB2 H 1 3.958 0.03 . 1 . . . B 156 SER HB2 . 11548 1 322 . 1 1 41 41 SER HB3 H 1 3.958 0.03 . 1 . . . B 156 SER HB3 . 11548 1 323 . 1 1 41 41 SER C C 13 174.748 0.1 . 1 . . . B 156 SER C . 11548 1 324 . 1 1 41 41 SER CA C 13 59.599 0.1 . 1 . . . B 156 SER CA . 11548 1 325 . 1 1 41 41 SER CB C 13 63.736 0.1 . 1 . . . B 156 SER CB . 11548 1 326 . 1 1 41 41 SER N N 15 110.947 0.3 . 1 . . . B 156 SER N . 11548 1 327 . 1 1 42 42 GLY H H 1 7.827 0.03 . 1 . . . B 157 GLY H . 11548 1 328 . 1 1 42 42 GLY HA2 H 1 3.742 0.03 . 2 . . . B 157 GLY HA2 . 11548 1 329 . 1 1 42 42 GLY HA3 H 1 4.133 0.03 . 2 . . . B 157 GLY HA3 . 11548 1 330 . 1 1 42 42 GLY CA C 13 45.346 0.1 . 1 . . . B 157 GLY CA . 11548 1 331 . 1 1 42 42 GLY N N 15 108.836 0.3 . 1 . . . B 157 GLY N . 11548 1 332 . 1 1 43 43 GLY H H 1 7.638 0.03 . 1 . . . B 158 GLY H . 11548 1 333 . 1 1 43 43 GLY HA2 H 1 4.035 0.03 . 2 . . . B 158 GLY HA2 . 11548 1 334 . 1 1 43 43 GLY HA3 H 1 4.289 0.03 . 2 . . . B 158 GLY HA3 . 11548 1 335 . 1 1 43 43 GLY C C 13 174.347 0.1 . 1 . . . B 158 GLY C . 11548 1 336 . 1 1 43 43 GLY CA C 13 44.617 0.1 . 1 . . . B 158 GLY CA . 11548 1 337 . 1 1 43 43 GLY N N 15 105.443 0.3 . 1 . . . B 158 GLY N . 11548 1 338 . 1 1 47 47 LYS H H 1 7.92 0.03 . 1 . . . B 162 LYS H . 11548 1 339 . 1 1 47 47 LYS HA H 1 3.625 0.03 . 1 . . . B 162 LYS HA . 11548 1 340 . 1 1 47 47 LYS HB2 H 1 1.984 0.03 . 2 . . . B 162 LYS HB2 . 11548 1 341 . 1 1 47 47 LYS HB3 H 1 1.808 0.03 . 2 . . . B 162 LYS HB3 . 11548 1 342 . 1 1 47 47 LYS HG2 H 1 1.613 0.03 . 2 . . . B 162 LYS HG2 . 11548 1 343 . 1 1 47 47 LYS HG3 H 1 1.281 0.03 . 2 . . . B 162 LYS HG3 . 11548 1 344 . 1 1 47 47 LYS HD2 H 1 1.789 0.03 . 2 . . . B 162 LYS HD2 . 11548 1 345 . 1 1 47 47 LYS HD3 H 1 1.653 0.03 . 2 . . . B 162 LYS HD3 . 11548 1 346 . 1 1 47 47 LYS HE2 H 1 3.019 0.03 . 2 . . . B 162 LYS HE2 . 11548 1 347 . 1 1 47 47 LYS HE3 H 1 2.844 0.03 . 2 . . . B 162 LYS HE3 . 11548 1 348 . 1 1 47 47 LYS C C 13 178.557 0.1 . 1 . . . B 162 LYS C . 11548 1 349 . 1 1 47 47 LYS CA C 13 60.658 0.1 . 1 . . . B 162 LYS CA . 11548 1 350 . 1 1 47 47 LYS CB C 13 32.794 0.1 . 1 . . . B 162 LYS CB . 11548 1 351 . 1 1 47 47 LYS CG C 13 26.134 0.1 . 1 . . . B 162 LYS CG . 11548 1 352 . 1 1 47 47 LYS CD C 13 29.809 0.1 . 1 . . . B 162 LYS CD . 11548 1 353 . 1 1 47 47 LYS CE C 13 42.503 0.1 . 1 . . . B 162 LYS CE . 11548 1 354 . 1 1 47 47 LYS N N 15 118.811 0.3 . 1 . . . B 162 LYS N . 11548 1 355 . 1 1 48 48 GLN H H 1 8.13 0.03 . 1 . . . B 163 GLN H . 11548 1 356 . 1 1 48 48 GLN HA H 1 4.015 0.03 . 1 . . . B 163 GLN HA . 11548 1 357 . 1 1 48 48 GLN HB2 H 1 2.121 0.03 . 2 . . . B 163 GLN HB2 . 11548 1 358 . 1 1 48 48 GLN HB3 H 1 2.16 0.03 . 2 . . . B 163 GLN HB3 . 11548 1 359 . 1 1 48 48 GLN HG2 H 1 2.336 0.03 . 2 . . . B 163 GLN HG2 . 11548 1 360 . 1 1 48 48 GLN HG3 H 1 2.414 0.03 . 2 . . . B 163 GLN HG3 . 11548 1 361 . 1 1 48 48 GLN C C 13 177.881 0.1 . 1 . . . B 163 GLN C . 11548 1 362 . 1 1 48 48 GLN CA C 13 58.629 0.1 . 1 . . . B 163 GLN CA . 11548 1 363 . 1 1 48 48 GLN CB C 13 27.663 0.1 . 1 . . . B 163 GLN CB . 11548 1 364 . 1 1 48 48 GLN CG C 13 33.723 0.1 . 1 . . . B 163 GLN CG . 11548 1 365 . 1 1 48 48 GLN N N 15 117.534 0.3 . 1 . . . B 163 GLN N . 11548 1 366 . 1 1 49 49 ALA H H 1 7.681 0.03 . 1 . . . B 164 ALA H . 11548 1 367 . 1 1 49 49 ALA HA H 1 4.076 0.03 . 1 . . . B 164 ALA HA . 11548 1 368 . 1 1 49 49 ALA HB1 H 1 1.437 0.03 . 1 . . . B 164 ALA HB1 . 11548 1 369 . 1 1 49 49 ALA HB2 H 1 1.437 0.03 . 1 . . . B 164 ALA HB2 . 11548 1 370 . 1 1 49 49 ALA HB3 H 1 1.437 0.03 . 1 . . . B 164 ALA HB3 . 11548 1 371 . 1 1 49 49 ALA C C 13 180.825 0.1 . 1 . . . B 164 ALA C . 11548 1 372 . 1 1 49 49 ALA CA C 13 55.125 0.1 . 1 . . . B 164 ALA CA . 11548 1 373 . 1 1 49 49 ALA CB C 13 17.903 0.1 . 1 . . . B 164 ALA CB . 11548 1 374 . 1 1 49 49 ALA N N 15 121.673 0.3 . 1 . . . B 164 ALA N . 11548 1 375 . 1 1 50 50 VAL H H 1 7.905 0.03 . 1 . . . B 165 VAL H . 11548 1 376 . 1 1 50 50 VAL HA H 1 3.51 0.03 . 1 . . . B 165 VAL HA . 11548 1 377 . 1 1 50 50 VAL HB H 1 2.234 0.03 . 1 . . . B 165 VAL HB . 11548 1 378 . 1 1 50 50 VAL HG11 H 1 0.99 0.03 . 2 . . . B 165 VAL HG11 . 11548 1 379 . 1 1 50 50 VAL HG12 H 1 0.99 0.03 . 2 . . . B 165 VAL HG12 . 11548 1 380 . 1 1 50 50 VAL HG13 H 1 0.99 0.03 . 2 . . . B 165 VAL HG13 . 11548 1 381 . 1 1 50 50 VAL HG21 H 1 0.833 0.03 . 2 . . . B 165 VAL HG21 . 11548 1 382 . 1 1 50 50 VAL HG22 H 1 0.833 0.03 . 2 . . . B 165 VAL HG22 . 11548 1 383 . 1 1 50 50 VAL HG23 H 1 0.833 0.03 . 2 . . . B 165 VAL HG23 . 11548 1 384 . 1 1 50 50 VAL C C 13 177.825 0.1 . 1 . . . B 165 VAL C . 11548 1 385 . 1 1 50 50 VAL CA C 13 66.627 0.1 . 1 . . . B 165 VAL CA . 11548 1 386 . 1 1 50 50 VAL CB C 13 31.326 0.1 . 1 . . . B 165 VAL CB . 11548 1 387 . 1 1 50 50 VAL CG1 C 13 23.573 0.1 . 1 . . . B 165 VAL CG1 . 11548 1 388 . 1 1 50 50 VAL CG2 C 13 23.573 0.1 . 1 . . . B 165 VAL CG2 . 11548 1 389 . 1 1 50 50 VAL N N 15 117.681 0.3 . 1 . . . B 165 VAL N . 11548 1 390 . 1 1 51 51 LYS H H 1 7.832 0.03 . 1 . . . B 166 LYS H . 11548 1 391 . 1 1 51 51 LYS HA H 1 3.898 0.03 . 1 . . . B 166 LYS HA . 11548 1 392 . 1 1 51 51 LYS HB2 H 1 1.984 0.03 . 1 . . . B 166 LYS HB2 . 11548 1 393 . 1 1 51 51 LYS HB3 H 1 1.984 0.03 . 1 . . . B 166 LYS HB3 . 11548 1 394 . 1 1 51 51 LYS HG2 H 1 1.203 0.03 . 2 . . . B 166 LYS HG2 . 11548 1 395 . 1 1 51 51 LYS HG3 H 1 1.733 0.03 . 2 . . . B 166 LYS HG3 . 11548 1 396 . 1 1 51 51 LYS HD2 H 1 1.692 0.03 . 1 . . . B 166 LYS HD2 . 11548 1 397 . 1 1 51 51 LYS HD3 H 1 1.692 0.03 . 1 . . . B 166 LYS HD3 . 11548 1 398 . 1 1 51 51 LYS HE2 H 1 2.843 0.03 . 1 . . . B 166 LYS HE2 . 11548 1 399 . 1 1 51 51 LYS HE3 H 1 2.843 0.03 . 1 . . . B 166 LYS HE3 . 11548 1 400 . 1 1 51 51 LYS C C 13 181.173 0.1 . 1 . . . B 166 LYS C . 11548 1 401 . 1 1 51 51 LYS CA C 13 60.377 0.1 . 1 . . . B 166 LYS CA . 11548 1 402 . 1 1 51 51 LYS CB C 13 31.877 0.1 . 1 . . . B 166 LYS CB . 11548 1 403 . 1 1 51 51 LYS CG C 13 26.404 0.1 . 1 . . . B 166 LYS CG . 11548 1 404 . 1 1 51 51 LYS CD C 13 29.551 0.1 . 1 . . . B 166 LYS CD . 11548 1 405 . 1 1 51 51 LYS CE C 13 42.364 0.1 . 1 . . . B 166 LYS CE . 11548 1 406 . 1 1 51 51 LYS N N 15 119.875 0.3 . 1 . . . B 166 LYS N . 11548 1 407 . 1 1 52 52 GLU H H 1 8.736 0.03 . 1 . . . B 167 GLU H . 11548 1 408 . 1 1 52 52 GLU HA H 1 4.035 0.03 . 1 . . . B 167 GLU HA . 11548 1 409 . 1 1 52 52 GLU HB2 H 1 2.003 0.03 . 2 . . . B 167 GLU HB2 . 11548 1 410 . 1 1 52 52 GLU HB3 H 1 2.062 0.03 . 2 . . . B 167 GLU HB3 . 11548 1 411 . 1 1 52 52 GLU HG2 H 1 2.454 0.03 . 2 . . . B 167 GLU HG2 . 11548 1 412 . 1 1 52 52 GLU HG3 H 1 2.277 0.03 . 2 . . . B 167 GLU HG3 . 11548 1 413 . 1 1 52 52 GLU C C 13 177.229 0.1 . 1 . . . B 167 GLU C . 11548 1 414 . 1 1 52 52 GLU CA C 13 58.877 0.1 . 1 . . . B 167 GLU CA . 11548 1 415 . 1 1 52 52 GLU CB C 13 29.159 0.1 . 1 . . . B 167 GLU CB . 11548 1 416 . 1 1 52 52 GLU CG C 13 36.568 0.1 . 1 . . . B 167 GLU CG . 11548 1 417 . 1 1 52 52 GLU N N 15 121.504 0.3 . 1 . . . B 167 GLU N . 11548 1 418 . 1 1 53 53 ALA H H 1 7.375 0.03 . 1 . . . B 168 ALA H . 11548 1 419 . 1 1 53 53 ALA HA H 1 4.348 0.03 . 1 . . . B 168 ALA HA . 11548 1 420 . 1 1 53 53 ALA HB1 H 1 1.397 0.03 . 1 . . . B 168 ALA HB1 . 11548 1 421 . 1 1 53 53 ALA HB2 H 1 1.397 0.03 . 1 . . . B 168 ALA HB2 . 11548 1 422 . 1 1 53 53 ALA HB3 H 1 1.397 0.03 . 1 . . . B 168 ALA HB3 . 11548 1 423 . 1 1 53 53 ALA C C 13 176.863 0.1 . 1 . . . B 168 ALA C . 11548 1 424 . 1 1 53 53 ALA CA C 13 52.159 0.1 . 1 . . . B 168 ALA CA . 11548 1 425 . 1 1 53 53 ALA CB C 13 18.882 0.1 . 1 . . . B 168 ALA CB . 11548 1 426 . 1 1 53 53 ALA N N 15 118.66 0.3 . 1 . . . B 168 ALA N . 11548 1 427 . 1 1 54 54 GLY H H 1 7.711 0.03 . 1 . . . B 169 GLY H . 11548 1 428 . 1 1 54 54 GLY HA2 H 1 3.937 0.03 . 2 . . . B 169 GLY HA2 . 11548 1 429 . 1 1 54 54 GLY HA3 H 1 4.261 0.03 . 2 . . . B 169 GLY HA3 . 11548 1 430 . 1 1 54 54 GLY C C 13 176.339 0.1 . 1 . . . B 169 GLY C . 11548 1 431 . 1 1 54 54 GLY CA C 13 45.489 0.1 . 1 . . . B 169 GLY CA . 11548 1 432 . 1 1 54 54 GLY N N 15 103.807 0.3 . 1 . . . B 169 GLY N . 11548 1 433 . 1 1 55 55 ALA H H 1 7.259 0.03 . 1 . . . B 170 ALA H . 11548 1 434 . 1 1 55 55 ALA HA H 1 3.723 0.03 . 1 . . . B 170 ALA HA . 11548 1 435 . 1 1 55 55 ALA HB1 H 1 1.105 0.03 . 1 . . . B 170 ALA HB1 . 11548 1 436 . 1 1 55 55 ALA HB2 H 1 1.105 0.03 . 1 . . . B 170 ALA HB2 . 11548 1 437 . 1 1 55 55 ALA HB3 H 1 1.105 0.03 . 1 . . . B 170 ALA HB3 . 11548 1 438 . 1 1 55 55 ALA C C 13 178.634 0.1 . 1 . . . B 170 ALA C . 11548 1 439 . 1 1 55 55 ALA CA C 13 55.248 0.1 . 1 . . . B 170 ALA CA . 11548 1 440 . 1 1 55 55 ALA CB C 13 20.396 0.1 . 1 . . . B 170 ALA CB . 11548 1 441 . 1 1 55 55 ALA N N 15 117.5 0.3 . 1 . . . B 170 ALA N . 11548 1 442 . 1 1 56 56 LEU H H 1 8.855 0.03 . 1 . . . B 171 LEU H . 11548 1 443 . 1 1 56 56 LEU HA H 1 3.704 0.03 . 1 . . . B 171 LEU HA . 11548 1 444 . 1 1 56 56 LEU HB2 H 1 1.712 0.03 . 2 . . . B 171 LEU HB2 . 11548 1 445 . 1 1 56 56 LEU HB3 H 1 1.495 0.03 . 2 . . . B 171 LEU HB3 . 11548 1 446 . 1 1 56 56 LEU HG H 1 1.633 0.03 . 1 . . . B 171 LEU HG . 11548 1 447 . 1 1 56 56 LEU HD11 H 1 0.754 0.03 . 2 . . . B 171 LEU HD11 . 11548 1 448 . 1 1 56 56 LEU HD12 H 1 0.754 0.03 . 2 . . . B 171 LEU HD12 . 11548 1 449 . 1 1 56 56 LEU HD13 H 1 0.754 0.03 . 2 . . . B 171 LEU HD13 . 11548 1 450 . 1 1 56 56 LEU HD21 H 1 0.871 0.03 . 2 . . . B 171 LEU HD21 . 11548 1 451 . 1 1 56 56 LEU HD22 H 1 0.871 0.03 . 2 . . . B 171 LEU HD22 . 11548 1 452 . 1 1 56 56 LEU HD23 H 1 0.871 0.03 . 2 . . . B 171 LEU HD23 . 11548 1 453 . 1 1 56 56 LEU C C 13 178.673 0.1 . 1 . . . B 171 LEU C . 11548 1 454 . 1 1 56 56 LEU CA C 13 59.671 0.1 . 1 . . . B 171 LEU CA . 11548 1 455 . 1 1 56 56 LEU CB C 13 40.246 0.1 . 1 . . . B 171 LEU CB . 11548 1 456 . 1 1 56 56 LEU CG C 13 27.65 0.1 . 1 . . . B 171 LEU CG . 11548 1 457 . 1 1 56 56 LEU CD1 C 13 24.174 0.1 . 2 . . . B 171 LEU CD1 . 11548 1 458 . 1 1 56 56 LEU CD2 C 13 25.304 0.1 . 2 . . . B 171 LEU CD2 . 11548 1 459 . 1 1 56 56 LEU N N 15 115.839 0.3 . 1 . . . B 171 LEU N . 11548 1 460 . 1 1 57 57 GLU H H 1 8.156 0.03 . 1 . . . B 172 GLU H . 11548 1 461 . 1 1 57 57 GLU HA H 1 3.997 0.03 . 1 . . . B 172 GLU HA . 11548 1 462 . 1 1 57 57 GLU HB2 H 1 1.887 0.03 . 2 . . . B 172 GLU HB2 . 11548 1 463 . 1 1 57 57 GLU HB3 H 1 2.004 0.03 . 2 . . . B 172 GLU HB3 . 11548 1 464 . 1 1 57 57 GLU HG2 H 1 2.258 0.03 . 2 . . . B 172 GLU HG2 . 11548 1 465 . 1 1 57 57 GLU HG3 H 1 2.237 0.03 . 2 . . . B 172 GLU HG3 . 11548 1 466 . 1 1 57 57 GLU C C 13 179.3 0.1 . 1 . . . B 172 GLU C . 11548 1 467 . 1 1 57 57 GLU CA C 13 59.619 0.1 . 1 . . . B 172 GLU CA . 11548 1 468 . 1 1 57 57 GLU CB C 13 29.109 0.1 . 1 . . . B 172 GLU CB . 11548 1 469 . 1 1 57 57 GLU CG C 13 36.546 0.1 . 1 . . . B 172 GLU CG . 11548 1 470 . 1 1 57 57 GLU N N 15 116.995 0.3 . 1 . . . B 172 GLU N . 11548 1 471 . 1 1 58 58 LYS H H 1 6.795 0.03 . 1 . . . B 173 LYS H . 11548 1 472 . 1 1 58 58 LYS HA H 1 4.092 0.03 . 1 . . . B 173 LYS HA . 11548 1 473 . 1 1 58 58 LYS HB2 H 1 1.652 0.03 . 2 . . . B 173 LYS HB2 . 11548 1 474 . 1 1 58 58 LYS HB3 H 1 1.769 0.03 . 2 . . . B 173 LYS HB3 . 11548 1 475 . 1 1 58 58 LYS HG2 H 1 1.437 0.03 . 2 . . . B 173 LYS HG2 . 11548 1 476 . 1 1 58 58 LYS HG3 H 1 1.378 0.03 . 2 . . . B 173 LYS HG3 . 11548 1 477 . 1 1 58 58 LYS HD2 H 1 1.515 0.03 . 2 . . . B 173 LYS HD2 . 11548 1 478 . 1 1 58 58 LYS HD3 H 1 1.496 0.03 . 2 . . . B 173 LYS HD3 . 11548 1 479 . 1 1 58 58 LYS HE2 H 1 2.958 0.03 . 2 . . . B 173 LYS HE2 . 11548 1 480 . 1 1 58 58 LYS HE3 H 1 2.824 0.03 . 2 . . . B 173 LYS HE3 . 11548 1 481 . 1 1 58 58 LYS C C 13 179.289 0.1 . 1 . . . B 173 LYS C . 11548 1 482 . 1 1 58 58 LYS CA C 13 57.199 0.1 . 1 . . . B 173 LYS CA . 11548 1 483 . 1 1 58 58 LYS CB C 13 32.627 0.1 . 1 . . . B 173 LYS CB . 11548 1 484 . 1 1 58 58 LYS CG C 13 24.562 0.1 . 1 . . . B 173 LYS CG . 11548 1 485 . 1 1 58 58 LYS CD C 13 27.955 0.1 . 1 . . . B 173 LYS CD . 11548 1 486 . 1 1 58 58 LYS CE C 13 42.13 0.1 . 1 . . . B 173 LYS CE . 11548 1 487 . 1 1 58 58 LYS N N 15 115.847 0.3 . 1 . . . B 173 LYS N . 11548 1 488 . 1 1 59 59 LEU H H 1 8.34 0.03 . 1 . . . B 174 LEU H . 11548 1 489 . 1 1 59 59 LEU HA H 1 3.918 0.03 . 1 . . . B 174 LEU HA . 11548 1 490 . 1 1 59 59 LEU HB2 H 1 1.26 0.03 . 2 . . . B 174 LEU HB2 . 11548 1 491 . 1 1 59 59 LEU HB3 H 1 1.984 0.03 . 2 . . . B 174 LEU HB3 . 11548 1 492 . 1 1 59 59 LEU HG H 1 0.597 0.03 . 1 . . . B 174 LEU HG . 11548 1 493 . 1 1 59 59 LEU HD11 H 1 0.793 0.03 . 2 . . . B 174 LEU HD11 . 11548 1 494 . 1 1 59 59 LEU HD12 H 1 0.793 0.03 . 2 . . . B 174 LEU HD12 . 11548 1 495 . 1 1 59 59 LEU HD13 H 1 0.793 0.03 . 2 . . . B 174 LEU HD13 . 11548 1 496 . 1 1 59 59 LEU HD21 H 1 0.754 0.03 . 2 . . . B 174 LEU HD21 . 11548 1 497 . 1 1 59 59 LEU HD22 H 1 0.754 0.03 . 2 . . . B 174 LEU HD22 . 11548 1 498 . 1 1 59 59 LEU HD23 H 1 0.754 0.03 . 2 . . . B 174 LEU HD23 . 11548 1 499 . 1 1 59 59 LEU C C 13 179.171 0.1 . 1 . . . B 174 LEU C . 11548 1 500 . 1 1 59 59 LEU CA C 13 58.04 0.1 . 1 . . . B 174 LEU CA . 11548 1 501 . 1 1 59 59 LEU CB C 13 41.883 0.1 . 1 . . . B 174 LEU CB . 11548 1 502 . 1 1 59 59 LEU CG C 13 26.065 0.1 . 1 . . . B 174 LEU CG . 11548 1 503 . 1 1 59 59 LEU CD1 C 13 23.538 0.1 . 1 . . . B 174 LEU CD1 . 11548 1 504 . 1 1 59 59 LEU CD2 C 13 23.538 0.1 . 1 . . . B 174 LEU CD2 . 11548 1 505 . 1 1 59 59 LEU N N 15 119.604 0.3 . 1 . . . B 174 LEU N . 11548 1 506 . 1 1 60 60 GLU H H 1 8.19 0.03 . 1 . . . B 175 GLU H . 11548 1 507 . 1 1 60 60 GLU HA H 1 4.012 0.03 . 1 . . . B 175 GLU HA . 11548 1 508 . 1 1 60 60 GLU HB2 H 1 1.964 0.03 . 2 . . . B 175 GLU HB2 . 11548 1 509 . 1 1 60 60 GLU HB3 H 1 2.043 0.03 . 2 . . . B 175 GLU HB3 . 11548 1 510 . 1 1 60 60 GLU HG2 H 1 2.1 0.03 . 2 . . . B 175 GLU HG2 . 11548 1 511 . 1 1 60 60 GLU HG3 H 1 2.336 0.03 . 2 . . . B 175 GLU HG3 . 11548 1 512 . 1 1 60 60 GLU C C 13 180.128 0.1 . 1 . . . B 175 GLU C . 11548 1 513 . 1 1 60 60 GLU CA C 13 59.539 0.1 . 1 . . . B 175 GLU CA . 11548 1 514 . 1 1 60 60 GLU CB C 13 29.337 0.1 . 1 . . . B 175 GLU CB . 11548 1 515 . 1 1 60 60 GLU CG C 13 36.649 0.1 . 1 . . . B 175 GLU CG . 11548 1 516 . 1 1 60 60 GLU N N 15 117.963 0.3 . 1 . . . B 175 GLU N . 11548 1 517 . 1 1 61 61 GLN H H 1 7.327 0.03 . 1 . . . B 176 GLN H . 11548 1 518 . 1 1 61 61 GLN HA H 1 4.094 0.03 . 1 . . . B 176 GLN HA . 11548 1 519 . 1 1 61 61 GLN HB2 H 1 2.161 0.03 . 2 . . . B 176 GLN HB2 . 11548 1 520 . 1 1 61 61 GLN HB3 H 1 2.12 0.03 . 2 . . . B 176 GLN HB3 . 11548 1 521 . 1 1 61 61 GLN HG2 H 1 2.317 0.03 . 2 . . . B 176 GLN HG2 . 11548 1 522 . 1 1 61 61 GLN HG3 H 1 2.414 0.03 . 2 . . . B 176 GLN HG3 . 11548 1 523 . 1 1 61 61 GLN C C 13 178.761 0.1 . 1 . . . B 176 GLN C . 11548 1 524 . 1 1 61 61 GLN CA C 13 58.346 0.1 . 1 . . . B 176 GLN CA . 11548 1 525 . 1 1 61 61 GLN CB C 13 28.01 0.1 . 1 . . . B 176 GLN CB . 11548 1 526 . 1 1 61 61 GLN CG C 13 34.085 0.1 . 1 . . . B 176 GLN CG . 11548 1 527 . 1 1 61 61 GLN N N 15 118.033 0.3 . 1 . . . B 176 GLN N . 11548 1 528 . 1 1 62 62 LEU H H 1 7.743 0.03 . 1 . . . B 177 LEU H . 11548 1 529 . 1 1 62 62 LEU HA H 1 4.289 0.03 . 1 . . . B 177 LEU HA . 11548 1 530 . 1 1 62 62 LEU HB2 H 1 1.378 0.03 . 2 . . . B 177 LEU HB2 . 11548 1 531 . 1 1 62 62 LEU HB3 H 1 1.87 0.03 . 2 . . . B 177 LEU HB3 . 11548 1 532 . 1 1 62 62 LEU HG H 1 1.613 0.03 . 1 . . . B 177 LEU HG . 11548 1 533 . 1 1 62 62 LEU HD11 H 1 1.007 0.03 . 2 . . . B 177 LEU HD11 . 11548 1 534 . 1 1 62 62 LEU HD12 H 1 1.007 0.03 . 2 . . . B 177 LEU HD12 . 11548 1 535 . 1 1 62 62 LEU HD13 H 1 1.007 0.03 . 2 . . . B 177 LEU HD13 . 11548 1 536 . 1 1 62 62 LEU HD21 H 1 0.988 0.03 . 2 . . . B 177 LEU HD21 . 11548 1 537 . 1 1 62 62 LEU HD22 H 1 0.988 0.03 . 2 . . . B 177 LEU HD22 . 11548 1 538 . 1 1 62 62 LEU HD23 H 1 0.988 0.03 . 2 . . . B 177 LEU HD23 . 11548 1 539 . 1 1 62 62 LEU C C 13 177.521 0.1 . 1 . . . B 177 LEU C . 11548 1 540 . 1 1 62 62 LEU CA C 13 56.369 0.1 . 1 . . . B 177 LEU CA . 11548 1 541 . 1 1 62 62 LEU CB C 13 42.464 0.1 . 1 . . . B 177 LEU CB . 11548 1 542 . 1 1 62 62 LEU CG C 13 27.123 0.1 . 1 . . . B 177 LEU CG . 11548 1 543 . 1 1 62 62 LEU CD1 C 13 23.467 0.1 . 2 . . . B 177 LEU CD1 . 11548 1 544 . 1 1 62 62 LEU CD2 C 13 23.541 0.1 . 2 . . . B 177 LEU CD2 . 11548 1 545 . 1 1 62 62 LEU N N 15 119.482 0.3 . 1 . . . B 177 LEU N . 11548 1 546 . 1 1 63 63 GLN H H 1 7.441 0.03 . 1 . . . B 178 GLN H . 11548 1 547 . 1 1 63 63 GLN HA H 1 4.094 0.03 . 1 . . . B 178 GLN HA . 11548 1 548 . 1 1 63 63 GLN HB2 H 1 2.16 0.03 . 1 . . . B 178 GLN HB2 . 11548 1 549 . 1 1 63 63 GLN HB3 H 1 2.16 0.03 . 1 . . . B 178 GLN HB3 . 11548 1 550 . 1 1 63 63 GLN HG2 H 1 2.531 0.03 . 2 . . . B 178 GLN HG2 . 11548 1 551 . 1 1 63 63 GLN HG3 H 1 2.298 0.03 . 2 . . . B 178 GLN HG3 . 11548 1 552 . 1 1 63 63 GLN C C 13 175.691 0.1 . 1 . . . B 178 GLN C . 11548 1 553 . 1 1 63 63 GLN CA C 13 58.559 0.1 . 1 . . . B 178 GLN CA . 11548 1 554 . 1 1 63 63 GLN CB C 13 28.922 0.1 . 1 . . . B 178 GLN CB . 11548 1 555 . 1 1 63 63 GLN CG C 13 34.988 0.1 . 1 . . . B 178 GLN CG . 11548 1 556 . 1 1 63 63 GLN N N 15 116.106 0.3 . 1 . . . B 178 GLN N . 11548 1 557 . 1 1 64 64 SER H H 1 7.496 0.03 . 1 . . . B 179 SER H . 11548 1 558 . 1 1 64 64 SER HA H 1 4.6 0.03 . 1 . . . B 179 SER HA . 11548 1 559 . 1 1 64 64 SER HB2 H 1 3.858 0.03 . 2 . . . B 179 SER HB2 . 11548 1 560 . 1 1 64 64 SER HB3 H 1 3.883 0.03 . 2 . . . B 179 SER HB3 . 11548 1 561 . 1 1 64 64 SER C C 13 174.019 0.1 . 1 . . . B 179 SER C . 11548 1 562 . 1 1 64 64 SER CA C 13 56.985 0.1 . 1 . . . B 179 SER CA . 11548 1 563 . 1 1 64 64 SER CB C 13 63.605 0.1 . 1 . . . B 179 SER CB . 11548 1 564 . 1 1 64 64 SER N N 15 110.91 0.3 . 1 . . . B 179 SER N . 11548 1 565 . 1 1 65 65 HIS H H 1 7.531 0.03 . 1 . . . B 180 HIS H . 11548 1 566 . 1 1 65 65 HIS HA H 1 3.885 0.03 . 1 . . . B 180 HIS HA . 11548 1 567 . 1 1 65 65 HIS HB2 H 1 2.765 0.03 . 2 . . . B 180 HIS HB2 . 11548 1 568 . 1 1 65 65 HIS HB3 H 1 3.195 0.03 . 2 . . . B 180 HIS HB3 . 11548 1 569 . 1 1 65 65 HIS C C 13 174.687 0.1 . 1 . . . B 180 HIS C . 11548 1 570 . 1 1 65 65 HIS CA C 13 59.674 0.1 . 1 . . . B 180 HIS CA . 11548 1 571 . 1 1 65 65 HIS CB C 13 31.971 0.1 . 1 . . . B 180 HIS CB . 11548 1 572 . 1 1 65 65 HIS N N 15 125.068 0.3 . 1 . . . B 180 HIS N . 11548 1 573 . 1 1 66 66 GLU H H 1 7.9 0.03 . 1 . . . B 181 GLU H . 11548 1 574 . 1 1 66 66 GLU HA H 1 4.094 0.03 . 1 . . . B 181 GLU HA . 11548 1 575 . 1 1 66 66 GLU HB2 H 1 1.886 0.03 . 2 . . . B 181 GLU HB2 . 11548 1 576 . 1 1 66 66 GLU HB3 H 1 1.902 0.03 . 2 . . . B 181 GLU HB3 . 11548 1 577 . 1 1 66 66 GLU HG2 H 1 2.16 0.03 . 1 . . . B 181 GLU HG2 . 11548 1 578 . 1 1 66 66 GLU HG3 H 1 2.16 0.03 . 1 . . . B 181 GLU HG3 . 11548 1 579 . 1 1 66 66 GLU C C 13 177.1 0.1 . 1 . . . B 181 GLU C . 11548 1 580 . 1 1 66 66 GLU CA C 13 58.385 0.1 . 1 . . . B 181 GLU CA . 11548 1 581 . 1 1 66 66 GLU CB C 13 29.758 0.1 . 1 . . . B 181 GLU CB . 11548 1 582 . 1 1 66 66 GLU CG C 13 36.174 0.1 . 1 . . . B 181 GLU CG . 11548 1 583 . 1 1 66 66 GLU N N 15 124.028 0.3 . 1 . . . B 181 GLU N . 11548 1 584 . 1 1 67 67 ASN H H 1 11.465 0.03 . 1 . . . B 182 ASN H . 11548 1 585 . 1 1 67 67 ASN HA H 1 4.711 0.03 . 1 . . . B 182 ASN HA . 11548 1 586 . 1 1 67 67 ASN HB2 H 1 2.941 0.03 . 2 . . . B 182 ASN HB2 . 11548 1 587 . 1 1 67 67 ASN HB3 H 1 3.291 0.03 . 2 . . . B 182 ASN HB3 . 11548 1 588 . 1 1 67 67 ASN C C 13 176.197 0.1 . 1 . . . B 182 ASN C . 11548 1 589 . 1 1 67 67 ASN CA C 13 53.16 0.1 . 1 . . . B 182 ASN CA . 11548 1 590 . 1 1 67 67 ASN CB C 13 38.887 0.1 . 1 . . . B 182 ASN CB . 11548 1 591 . 1 1 67 67 ASN N N 15 124.572 0.3 . 1 . . . B 182 ASN N . 11548 1 592 . 1 1 68 68 GLU H H 1 8.971 0.03 . 1 . . . B 183 GLU H . 11548 1 593 . 1 1 68 68 GLU HA H 1 3.937 0.03 . 1 . . . B 183 GLU HA . 11548 1 594 . 1 1 68 68 GLU HB2 H 1 2.044 0.03 . 2 . . . B 183 GLU HB2 . 11548 1 595 . 1 1 68 68 GLU HB3 H 1 2.001 0.03 . 2 . . . B 183 GLU HB3 . 11548 1 596 . 1 1 68 68 GLU HG2 H 1 2.355 0.03 . 2 . . . B 183 GLU HG2 . 11548 1 597 . 1 1 68 68 GLU HG3 H 1 2.26 0.03 . 2 . . . B 183 GLU HG3 . 11548 1 598 . 1 1 68 68 GLU C C 13 177.94 0.1 . 1 . . . B 183 GLU C . 11548 1 599 . 1 1 68 68 GLU CA C 13 59.487 0.1 . 1 . . . B 183 GLU CA . 11548 1 600 . 1 1 68 68 GLU CB C 13 29.632 0.1 . 1 . . . B 183 GLU CB . 11548 1 601 . 1 1 68 68 GLU CG C 13 36.448 0.1 . 1 . . . B 183 GLU CG . 11548 1 602 . 1 1 68 68 GLU N N 15 127.789 0.3 . 1 . . . B 183 GLU N . 11548 1 603 . 1 1 69 69 LYS H H 1 8.141 0.03 . 1 . . . B 184 LYS H . 11548 1 604 . 1 1 69 69 LYS HA H 1 4.034 0.03 . 1 . . . B 184 LYS HA . 11548 1 605 . 1 1 69 69 LYS HB2 H 1 1.812 0.03 . 1 . . . B 184 LYS HB2 . 11548 1 606 . 1 1 69 69 LYS HB3 H 1 1.812 0.03 . 1 . . . B 184 LYS HB3 . 11548 1 607 . 1 1 69 69 LYS HG2 H 1 1.378 0.03 . 2 . . . B 184 LYS HG2 . 11548 1 608 . 1 1 69 69 LYS HG3 H 1 1.476 0.03 . 2 . . . B 184 LYS HG3 . 11548 1 609 . 1 1 69 69 LYS HD2 H 1 2.959 0.03 . 1 . . . B 184 LYS HD2 . 11548 1 610 . 1 1 69 69 LYS HD3 H 1 2.959 0.03 . 1 . . . B 184 LYS HD3 . 11548 1 611 . 1 1 69 69 LYS C C 13 179.215 0.1 . 1 . . . B 184 LYS C . 11548 1 612 . 1 1 69 69 LYS CA C 13 59.255 0.1 . 1 . . . B 184 LYS CA . 11548 1 613 . 1 1 69 69 LYS CB C 13 32.081 0.1 . 1 . . . B 184 LYS CB . 11548 1 614 . 1 1 69 69 LYS CG C 13 25.177 0.1 . 1 . . . B 184 LYS CG . 11548 1 615 . 1 1 69 69 LYS CD C 13 29.077 0.1 . 1 . . . B 184 LYS CD . 11548 1 616 . 1 1 69 69 LYS CE C 13 42.217 0.1 . 1 . . . B 184 LYS CE . 11548 1 617 . 1 1 69 69 LYS N N 15 119.595 0.3 . 1 . . . B 184 LYS N . 11548 1 618 . 1 1 70 70 ILE H H 1 7.138 0.03 . 1 . . . B 185 ILE H . 11548 1 619 . 1 1 70 70 ILE HA H 1 3.392 0.03 . 1 . . . B 185 ILE HA . 11548 1 620 . 1 1 70 70 ILE HB H 1 1.751 0.03 . 1 . . . B 185 ILE HB . 11548 1 621 . 1 1 70 70 ILE HG12 H 1 1.125 0.03 . 2 . . . B 185 ILE HG12 . 11548 1 622 . 1 1 70 70 ILE HG13 H 1 0.754 0.03 . 2 . . . B 185 ILE HG13 . 11548 1 623 . 1 1 70 70 ILE HG21 H 1 0.422 0.03 . 1 . . . B 185 ILE HG21 . 11548 1 624 . 1 1 70 70 ILE HG22 H 1 0.422 0.03 . 1 . . . B 185 ILE HG22 . 11548 1 625 . 1 1 70 70 ILE HG23 H 1 0.422 0.03 . 1 . . . B 185 ILE HG23 . 11548 1 626 . 1 1 70 70 ILE HD11 H 1 0.439 0.03 . 1 . . . B 185 ILE HD11 . 11548 1 627 . 1 1 70 70 ILE HD12 H 1 0.439 0.03 . 1 . . . B 185 ILE HD12 . 11548 1 628 . 1 1 70 70 ILE HD13 H 1 0.439 0.03 . 1 . . . B 185 ILE HD13 . 11548 1 629 . 1 1 70 70 ILE C C 13 177.039 0.1 . 1 . . . B 185 ILE C . 11548 1 630 . 1 1 70 70 ILE CA C 13 64.002 0.1 . 1 . . . B 185 ILE CA . 11548 1 631 . 1 1 70 70 ILE CB C 13 36.459 0.1 . 1 . . . B 185 ILE CB . 11548 1 632 . 1 1 70 70 ILE CG1 C 13 28.945 0.1 . 1 . . . B 185 ILE CG1 . 11548 1 633 . 1 1 70 70 ILE CG2 C 13 17.11 0.1 . 1 . . . B 185 ILE CG2 . 11548 1 634 . 1 1 70 70 ILE CD1 C 13 11.387 0.1 . 1 . . . B 185 ILE CD1 . 11548 1 635 . 1 1 70 70 ILE N N 15 120.094 0.3 . 1 . . . B 185 ILE N . 11548 1 636 . 1 1 71 71 GLN H H 1 8.048 0.03 . 1 . . . B 186 GLN H . 11548 1 637 . 1 1 71 71 GLN HA H 1 3.957 0.03 . 1 . . . B 186 GLN HA . 11548 1 638 . 1 1 71 71 GLN HB2 H 1 2.237 0.03 . 2 . . . B 186 GLN HB2 . 11548 1 639 . 1 1 71 71 GLN HB3 H 1 2.159 0.03 . 2 . . . B 186 GLN HB3 . 11548 1 640 . 1 1 71 71 GLN HG2 H 1 2.605 0.03 . 2 . . . B 186 GLN HG2 . 11548 1 641 . 1 1 71 71 GLN HG3 H 1 2.5 0.03 . 2 . . . B 186 GLN HG3 . 11548 1 642 . 1 1 71 71 GLN C C 13 178.899 0.1 . 1 . . . B 186 GLN C . 11548 1 643 . 1 1 71 71 GLN CA C 13 59.625 0.1 . 1 . . . B 186 GLN CA . 11548 1 644 . 1 1 71 71 GLN CB C 13 28.686 0.1 . 1 . . . B 186 GLN CB . 11548 1 645 . 1 1 71 71 GLN CG C 13 33.723 0.1 . 1 . . . B 186 GLN CG . 11548 1 646 . 1 1 71 71 GLN N N 15 118.078 0.3 . 1 . . . B 186 GLN N . 11548 1 647 . 1 1 72 72 LYS H H 1 7.737 0.03 . 1 . . . B 187 LYS H . 11548 1 648 . 1 1 72 72 LYS HA H 1 4.017 0.03 . 1 . . . B 187 LYS HA . 11548 1 649 . 1 1 72 72 LYS HB2 H 1 1.89 0.03 . 2 . . . B 187 LYS HB2 . 11548 1 650 . 1 1 72 72 LYS HB3 H 1 1.941 0.03 . 2 . . . B 187 LYS HB3 . 11548 1 651 . 1 1 72 72 LYS HG2 H 1 1.437 0.03 . 2 . . . B 187 LYS HG2 . 11548 1 652 . 1 1 72 72 LYS HG3 H 1 1.554 0.03 . 2 . . . B 187 LYS HG3 . 11548 1 653 . 1 1 72 72 LYS HD2 H 1 1.653 0.03 . 1 . . . B 187 LYS HD2 . 11548 1 654 . 1 1 72 72 LYS HD3 H 1 1.653 0.03 . 1 . . . B 187 LYS HD3 . 11548 1 655 . 1 1 72 72 LYS HE2 H 1 2.946 0.03 . 2 . . . B 187 LYS HE2 . 11548 1 656 . 1 1 72 72 LYS HE3 H 1 2.825 0.03 . 2 . . . B 187 LYS HE3 . 11548 1 657 . 1 1 72 72 LYS C C 13 179.257 0.1 . 1 . . . B 187 LYS C . 11548 1 658 . 1 1 72 72 LYS CA C 13 59.159 0.1 . 1 . . . B 187 LYS CA . 11548 1 659 . 1 1 72 72 LYS CB C 13 32.487 0.1 . 1 . . . B 187 LYS CB . 11548 1 660 . 1 1 72 72 LYS CG C 13 24.881 0.1 . 1 . . . B 187 LYS CG . 11548 1 661 . 1 1 72 72 LYS CD C 13 29.074 0.1 . 1 . . . B 187 LYS CD . 11548 1 662 . 1 1 72 72 LYS CE C 13 42.163 0.1 . 1 . . . B 187 LYS CE . 11548 1 663 . 1 1 72 72 LYS N N 15 117.532 0.3 . 1 . . . B 187 LYS N . 11548 1 664 . 1 1 73 73 GLU H H 1 7.956 0.03 . 1 . . . B 188 GLU H . 11548 1 665 . 1 1 73 73 GLU HA H 1 4.033 0.03 . 1 . . . B 188 GLU HA . 11548 1 666 . 1 1 73 73 GLU HB2 H 1 1.983 0.03 . 1 . . . B 188 GLU HB2 . 11548 1 667 . 1 1 73 73 GLU HB3 H 1 1.983 0.03 . 1 . . . B 188 GLU HB3 . 11548 1 668 . 1 1 73 73 GLU HG2 H 1 2.309 0.03 . 2 . . . B 188 GLU HG2 . 11548 1 669 . 1 1 73 73 GLU HG3 H 1 2.532 0.03 . 2 . . . B 188 GLU HG3 . 11548 1 670 . 1 1 73 73 GLU C C 13 179.789 0.1 . 1 . . . B 188 GLU C . 11548 1 671 . 1 1 73 73 GLU CA C 13 59.016 0.1 . 1 . . . B 188 GLU CA . 11548 1 672 . 1 1 73 73 GLU CB C 13 28.995 0.1 . 1 . . . B 188 GLU CB . 11548 1 673 . 1 1 73 73 GLU CG C 13 34.939 0.1 . 1 . . . B 188 GLU CG . 11548 1 674 . 1 1 73 73 GLU N N 15 119.619 0.3 . 1 . . . B 188 GLU N . 11548 1 675 . 1 1 74 74 ALA H H 1 8.848 0.03 . 1 . . . B 189 ALA H . 11548 1 676 . 1 1 74 74 ALA HA H 1 3.939 0.03 . 1 . . . B 189 ALA HA . 11548 1 677 . 1 1 74 74 ALA HB1 H 1 1.359 0.03 . 1 . . . B 189 ALA HB1 . 11548 1 678 . 1 1 74 74 ALA HB2 H 1 1.359 0.03 . 1 . . . B 189 ALA HB2 . 11548 1 679 . 1 1 74 74 ALA HB3 H 1 1.359 0.03 . 1 . . . B 189 ALA HB3 . 11548 1 680 . 1 1 74 74 ALA C C 13 178.933 0.1 . 1 . . . B 189 ALA C . 11548 1 681 . 1 1 74 74 ALA CA C 13 55.395 0.1 . 1 . . . B 189 ALA CA . 11548 1 682 . 1 1 74 74 ALA CB C 13 18.464 0.1 . 1 . . . B 189 ALA CB . 11548 1 683 . 1 1 74 74 ALA N N 15 122.474 0.3 . 1 . . . B 189 ALA N . 11548 1 684 . 1 1 75 75 GLN H H 1 8.088 0.03 . 1 . . . B 190 GLN H . 11548 1 685 . 1 1 75 75 GLN HA H 1 3.976 0.03 . 1 . . . B 190 GLN HA . 11548 1 686 . 1 1 75 75 GLN HB2 H 1 2.162 0.03 . 2 . . . B 190 GLN HB2 . 11548 1 687 . 1 1 75 75 GLN HB3 H 1 2.119 0.03 . 2 . . . B 190 GLN HB3 . 11548 1 688 . 1 1 75 75 GLN HG2 H 1 2.316 0.03 . 2 . . . B 190 GLN HG2 . 11548 1 689 . 1 1 75 75 GLN HG3 H 1 2.492 0.03 . 2 . . . B 190 GLN HG3 . 11548 1 690 . 1 1 75 75 GLN C C 13 178.623 0.1 . 1 . . . B 190 GLN C . 11548 1 691 . 1 1 75 75 GLN CA C 13 59.355 0.1 . 1 . . . B 190 GLN CA . 11548 1 692 . 1 1 75 75 GLN CB C 13 28.266 0.1 . 1 . . . B 190 GLN CB . 11548 1 693 . 1 1 75 75 GLN CG C 13 33.765 0.1 . 1 . . . B 190 GLN CG . 11548 1 694 . 1 1 75 75 GLN N N 15 118.223 0.3 . 1 . . . B 190 GLN N . 11548 1 695 . 1 1 76 76 GLU H H 1 8.119 0.03 . 1 . . . B 191 GLU H . 11548 1 696 . 1 1 76 76 GLU HA H 1 4.037 0.03 . 1 . . . B 191 GLU HA . 11548 1 697 . 1 1 76 76 GLU HB2 H 1 2.044 0.03 . 2 . . . B 191 GLU HB2 . 11548 1 698 . 1 1 76 76 GLU HB3 H 1 1.985 0.03 . 2 . . . B 191 GLU HB3 . 11548 1 699 . 1 1 76 76 GLU HG2 H 1 2.318 0.03 . 2 . . . B 191 GLU HG2 . 11548 1 700 . 1 1 76 76 GLU HG3 H 1 2.413 0.03 . 2 . . . B 191 GLU HG3 . 11548 1 701 . 1 1 76 76 GLU C C 13 179.089 0.1 . 1 . . . B 191 GLU C . 11548 1 702 . 1 1 76 76 GLU CA C 13 59.224 0.1 . 1 . . . B 191 GLU CA . 11548 1 703 . 1 1 76 76 GLU CB C 13 29.385 0.1 . 1 . . . B 191 GLU CB . 11548 1 704 . 1 1 76 76 GLU CG C 13 33.937 0.1 . 1 . . . B 191 GLU CG . 11548 1 705 . 1 1 76 76 GLU N N 15 119.276 0.3 . 1 . . . B 191 GLU N . 11548 1 706 . 1 1 77 77 ALA H H 1 8.051 0.03 . 1 . . . B 192 ALA H . 11548 1 707 . 1 1 77 77 ALA HA H 1 3.928 0.03 . 1 . . . B 192 ALA HA . 11548 1 708 . 1 1 77 77 ALA HB1 H 1 1.318 0.03 . 1 . . . B 192 ALA HB1 . 11548 1 709 . 1 1 77 77 ALA HB2 H 1 1.318 0.03 . 1 . . . B 192 ALA HB2 . 11548 1 710 . 1 1 77 77 ALA HB3 H 1 1.318 0.03 . 1 . . . B 192 ALA HB3 . 11548 1 711 . 1 1 77 77 ALA C C 13 179.06 0.1 . 1 . . . B 192 ALA C . 11548 1 712 . 1 1 77 77 ALA CA C 13 55.288 0.1 . 1 . . . B 192 ALA CA . 11548 1 713 . 1 1 77 77 ALA CB C 13 17.783 0.1 . 1 . . . B 192 ALA CB . 11548 1 714 . 1 1 77 77 ALA N N 15 121.598 0.3 . 1 . . . B 192 ALA N . 11548 1 715 . 1 1 78 78 LEU H H 1 8.175 0.03 . 1 . . . B 193 LEU H . 11548 1 716 . 1 1 78 78 LEU HA H 1 3.742 0.03 . 1 . . . B 193 LEU HA . 11548 1 717 . 1 1 78 78 LEU HB2 H 1 1.65 0.03 . 2 . . . B 193 LEU HB2 . 11548 1 718 . 1 1 78 78 LEU HB3 H 1 1.358 0.03 . 2 . . . B 193 LEU HB3 . 11548 1 719 . 1 1 78 78 LEU HG H 1 1.593 0.03 . 1 . . . B 193 LEU HG . 11548 1 720 . 1 1 78 78 LEU HD11 H 1 0.773 0.03 . 2 . . . B 193 LEU HD11 . 11548 1 721 . 1 1 78 78 LEU HD12 H 1 0.773 0.03 . 2 . . . B 193 LEU HD12 . 11548 1 722 . 1 1 78 78 LEU HD13 H 1 0.773 0.03 . 2 . . . B 193 LEU HD13 . 11548 1 723 . 1 1 78 78 LEU HD21 H 1 0.858 0.03 . 2 . . . B 193 LEU HD21 . 11548 1 724 . 1 1 78 78 LEU HD22 H 1 0.858 0.03 . 2 . . . B 193 LEU HD22 . 11548 1 725 . 1 1 78 78 LEU HD23 H 1 0.858 0.03 . 2 . . . B 193 LEU HD23 . 11548 1 726 . 1 1 78 78 LEU C C 13 178.977 0.1 . 1 . . . B 193 LEU C . 11548 1 727 . 1 1 78 78 LEU CA C 13 58.417 0.1 . 1 . . . B 193 LEU CA . 11548 1 728 . 1 1 78 78 LEU CB C 13 41.985 0.1 . 1 . . . B 193 LEU CB . 11548 1 729 . 1 1 78 78 LEU CG C 13 26.905 0.1 . 1 . . . B 193 LEU CG . 11548 1 730 . 1 1 78 78 LEU CD1 C 13 24.856 0.1 . 2 . . . B 193 LEU CD1 . 11548 1 731 . 1 1 78 78 LEU CD2 C 13 24.758 0.1 . 2 . . . B 193 LEU CD2 . 11548 1 732 . 1 1 78 78 LEU N N 15 118.563 0.3 . 1 . . . B 193 LEU N . 11548 1 733 . 1 1 79 79 GLU H H 1 7.964 0.03 . 1 . . . B 194 GLU H . 11548 1 734 . 1 1 79 79 GLU HA H 1 3.936 0.03 . 1 . . . B 194 GLU HA . 11548 1 735 . 1 1 79 79 GLU HB2 H 1 2.024 0.03 . 1 . . . B 194 GLU HB2 . 11548 1 736 . 1 1 79 79 GLU HB3 H 1 2.024 0.03 . 1 . . . B 194 GLU HB3 . 11548 1 737 . 1 1 79 79 GLU HG2 H 1 2.384 0.03 . 2 . . . B 194 GLU HG2 . 11548 1 738 . 1 1 79 79 GLU HG3 H 1 1.984 0.03 . 2 . . . B 194 GLU HG3 . 11548 1 739 . 1 1 79 79 GLU C C 13 179.888 0.1 . 1 . . . B 194 GLU C . 11548 1 740 . 1 1 79 79 GLU CA C 13 59.387 0.1 . 1 . . . B 194 GLU CA . 11548 1 741 . 1 1 79 79 GLU CB C 13 28.882 0.1 . 1 . . . B 194 GLU CB . 11548 1 742 . 1 1 79 79 GLU CG C 13 32.923 0.1 . 1 . . . B 194 GLU CG . 11548 1 743 . 1 1 79 79 GLU N N 15 118.485 0.3 . 1 . . . B 194 GLU N . 11548 1 744 . 1 1 80 80 LYS H H 1 7.731 0.03 . 1 . . . B 195 LYS H . 11548 1 745 . 1 1 80 80 LYS HA H 1 3.996 0.03 . 1 . . . B 195 LYS HA . 11548 1 746 . 1 1 80 80 LYS HB2 H 1 1.733 0.03 . 2 . . . B 195 LYS HB2 . 11548 1 747 . 1 1 80 80 LYS HB3 H 1 1.876 0.03 . 2 . . . B 195 LYS HB3 . 11548 1 748 . 1 1 80 80 LYS HG2 H 1 1.379 0.03 . 2 . . . B 195 LYS HG2 . 11548 1 749 . 1 1 80 80 LYS HG3 H 1 1.614 0.03 . 2 . . . B 195 LYS HG3 . 11548 1 750 . 1 1 80 80 LYS HD2 H 1 1.494 0.03 . 2 . . . B 195 LYS HD2 . 11548 1 751 . 1 1 80 80 LYS HD3 H 1 1.577 0.03 . 2 . . . B 195 LYS HD3 . 11548 1 752 . 1 1 80 80 LYS HE2 H 1 2.823 0.03 . 2 . . . B 195 LYS HE2 . 11548 1 753 . 1 1 80 80 LYS HE3 H 1 2.961 0.03 . 2 . . . B 195 LYS HE3 . 11548 1 754 . 1 1 80 80 LYS C C 13 178.883 0.1 . 1 . . . B 195 LYS C . 11548 1 755 . 1 1 80 80 LYS CA C 13 59.165 0.1 . 1 . . . B 195 LYS CA . 11548 1 756 . 1 1 80 80 LYS CB C 13 32.701 0.1 . 1 . . . B 195 LYS CB . 11548 1 757 . 1 1 80 80 LYS CG C 13 25.479 0.1 . 1 . . . B 195 LYS CG . 11548 1 758 . 1 1 80 80 LYS CD C 13 29.62 0.1 . 1 . . . B 195 LYS CD . 11548 1 759 . 1 1 80 80 LYS CE C 13 42.121 0.1 . 1 . . . B 195 LYS CE . 11548 1 760 . 1 1 80 80 LYS N N 15 118.446 0.3 . 1 . . . B 195 LYS N . 11548 1 761 . 1 1 81 81 LEU H H 1 7.84 0.03 . 1 . . . B 196 LEU H . 11548 1 762 . 1 1 81 81 LEU HA H 1 4.016 0.03 . 1 . . . B 196 LEU HA . 11548 1 763 . 1 1 81 81 LEU HB2 H 1 1.787 0.03 . 2 . . . B 196 LEU HB2 . 11548 1 764 . 1 1 81 81 LEU HB3 H 1 1.373 0.03 . 2 . . . B 196 LEU HB3 . 11548 1 765 . 1 1 81 81 LEU HG H 1 1.926 0.03 . 1 . . . B 196 LEU HG . 11548 1 766 . 1 1 81 81 LEU HD11 H 1 0.617 0.03 . 2 . . . B 196 LEU HD11 . 11548 1 767 . 1 1 81 81 LEU HD12 H 1 0.617 0.03 . 2 . . . B 196 LEU HD12 . 11548 1 768 . 1 1 81 81 LEU HD13 H 1 0.617 0.03 . 2 . . . B 196 LEU HD13 . 11548 1 769 . 1 1 81 81 LEU HD21 H 1 0.775 0.03 . 2 . . . B 196 LEU HD21 . 11548 1 770 . 1 1 81 81 LEU HD22 H 1 0.775 0.03 . 2 . . . B 196 LEU HD22 . 11548 1 771 . 1 1 81 81 LEU HD23 H 1 0.775 0.03 . 2 . . . B 196 LEU HD23 . 11548 1 772 . 1 1 81 81 LEU C C 13 177.147 0.1 . 1 . . . B 196 LEU C . 11548 1 773 . 1 1 81 81 LEU CA C 13 56.528 0.1 . 1 . . . B 196 LEU CA . 11548 1 774 . 1 1 81 81 LEU CB C 13 42.752 0.1 . 1 . . . B 196 LEU CB . 11548 1 775 . 1 1 81 81 LEU CG C 13 26.907 0.1 . 1 . . . B 196 LEU CG . 11548 1 776 . 1 1 81 81 LEU CD1 C 13 23.438 0.1 . 2 . . . B 196 LEU CD1 . 11548 1 777 . 1 1 81 81 LEU CD2 C 13 25.865 0.1 . 2 . . . B 196 LEU CD2 . 11548 1 778 . 1 1 81 81 LEU N N 15 117.315 0.3 . 1 . . . B 196 LEU N . 11548 1 779 . 1 1 82 82 GLN H H 1 7.641 0.03 . 1 . . . B 197 GLN H . 11548 1 780 . 1 1 82 82 GLN HA H 1 4.29 0.03 . 1 . . . B 197 GLN HA . 11548 1 781 . 1 1 82 82 GLN HG2 H 1 2.377 0.03 . 2 . . . B 197 GLN HG2 . 11548 1 782 . 1 1 82 82 GLN HG3 H 1 2.246 0.03 . 2 . . . B 197 GLN HG3 . 11548 1 783 . 1 1 82 82 GLN C C 13 175.977 0.1 . 1 . . . B 197 GLN C . 11548 1 784 . 1 1 82 82 GLN CA C 13 56.016 0.1 . 1 . . . B 197 GLN CA . 11548 1 785 . 1 1 82 82 GLN CB C 13 29.491 0.1 . 1 . . . B 197 GLN CB . 11548 1 786 . 1 1 82 82 GLN CG C 13 34.076 0.1 . 1 . . . B 197 GLN CG . 11548 1 787 . 1 1 82 82 GLN N N 15 115.899 0.3 . 1 . . . B 197 GLN N . 11548 1 788 . 1 1 83 83 SER HA H 1 4.347 0.03 . 1 . . . B 198 SER HA . 11548 1 789 . 1 1 83 83 SER HB2 H 1 3.859 0.03 . 1 . . . B 198 SER HB2 . 11548 1 790 . 1 1 83 83 SER HB3 H 1 3.859 0.03 . 1 . . . B 198 SER HB3 . 11548 1 791 . 1 1 83 83 SER HG H 1 3.858 0.03 . 1 . . . B 198 SER HG . 11548 1 792 . 1 1 83 83 SER CA C 13 58.504 0.1 . 1 . . . B 198 SER CA . 11548 1 793 . 1 1 83 83 SER CB C 13 64.003 0.1 . 1 . . . B 198 SER CB . 11548 1 794 . 1 1 84 84 HIS H H 1 7.979 0.03 . 1 . . . B 199 HIS H . 11548 1 795 . 1 1 84 84 HIS HA H 1 4.386 0.03 . 1 . . . B 199 HIS HA . 11548 1 796 . 1 1 84 84 HIS HB2 H 1 2.961 0.03 . 2 . . . B 199 HIS HB2 . 11548 1 797 . 1 1 84 84 HIS HB3 H 1 3.098 0.03 . 2 . . . B 199 HIS HB3 . 11548 1 798 . 1 1 84 84 HIS C C 13 179.86 0.1 . 1 . . . B 199 HIS C . 11548 1 799 . 1 1 84 84 HIS CA C 13 57.689 0.1 . 1 . . . B 199 HIS CA . 11548 1 800 . 1 1 84 84 HIS CB C 13 31.085 0.1 . 1 . . . B 199 HIS CB . 11548 1 801 . 1 1 84 84 HIS N N 15 126.531 0.3 . 1 . . . B 199 HIS N . 11548 1 stop_ save_