data_18090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18090 _Entry.Title ; Solution structure of the yeast Sti1 DP1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-17 _Entry.Accession_date 2011-11-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andreas Schmid . B. . 18090 2 Stephan Lagleder . . . 18090 3 Melissa Graewert . A. . 18090 4 Alina Roehl . . . 18090 5 Franz Hagn . . . 18090 6 Sebastian Wandinger . K. . 18090 7 Marc Cox . B. . 18090 8 Oliver Demmer . . . 18090 9 Klaus Richter . . . 18090 10 Michael Groll . . . 18090 11 Horst Kessler . . . 18090 12 Johannes Buchner . . . 18090 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' . 18090 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha helix' . 18090 'DP domain' . 18090 Monomer . 18090 Protein . 18090 'Solution NMR' . 18090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 18090 '15N chemical shifts' 76 18090 '1H chemical shifts' 544 18090 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 . . 2013-02-15 2011-11-17 update BMRB 'update entry citation' 18090 1 . . 2012-01-11 2011-11-17 original author 'original release' 18090 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18091 'yeast Sti1 DP2 domain' 18090 PDB 2LLV 'BMRB Entry Tracking System' 18090 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22227520 _Citation.Full_citation . _Citation.Title 'The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 31 _Citation.Journal_issue 6 _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 1506 _Citation.Page_last 1517 _Citation.Year 2012 _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 Andreas Schmid . B. . 18090 1 2 Stephan Lagleder . . . 18090 1 3 'Melissa Ann' Grawert . . . 18090 1 4 Alina Rohl . . . 18090 1 5 Franz Hagn . . . 18090 1 6 Sebastian Wandinger . K. . 18090 1 7 Marc Cox . B. . 18090 1 8 Oliver Demmer . . . 18090 1 9 Klaus Richter . . . 18090 1 10 Michael Groll . . . 18090 1 11 Horst Kessler . . . 18090 1 12 Johannes Buchner . . . 18090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18090 _Assembly.ID 1 _Assembly.Name DP1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DP1 1 $DP1 A . yes native no no . . . 18090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DP1 _Entity.Sf_category entity _Entity.Sf_framecode DP1 _Entity.Entry_ID 18090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QPDLGLTQLFADPNLIENLK KNPKTSEMMKDPQLVAKLIG YKQNPQAIGQDLFTDPRLMT IMATLMGVDLN ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7935.323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2LLV . "Solution Structure Of The Yeast Sti1 Dp1 Domain" . . . . . 100.00 71 100.00 100.00 1.06e-41 . . . . 18090 1 2 no DBJ GAA26351 . "K7_Sti1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 3 no EMBL CAA60743 . "STI1 heat shock protein [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 4 no EMBL CAA99217 . "STI1 [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 5 no GB AAA35121 . "heat shock protein STI1 [Saccharomyces cerevisiae]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 6 no GB AHY77333 . "Sti1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 589 98.59 98.59 1.67e-39 . . . . 18090 1 7 no GB AJP41564 . "Sti1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 589 98.59 98.59 1.67e-39 . . . . 18090 1 8 no GB AJT70985 . "Sti1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 589 98.59 98.59 1.67e-39 . . . . 18090 1 9 no GB AJT71475 . "Sti1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 589 98.59 98.59 1.67e-39 . . . . 18090 1 10 no REF NP_014670 . "Hsp90 cochaperone STI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 11 no SP P15705 . "RecName: Full=Heat shock protein STI1" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 1 12 no TPG DAA10809 . "TPA: Hsp90 cochaperone STI1 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 589 100.00 100.00 1.94e-40 . . . . 18090 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 1 127 GLN . 18090 1 2 128 PRO . 18090 1 3 129 ASP . 18090 1 4 130 LEU . 18090 1 5 131 GLY . 18090 1 6 132 LEU . 18090 1 7 133 THR . 18090 1 8 134 GLN . 18090 1 9 135 LEU . 18090 1 10 136 PHE . 18090 1 11 137 ALA . 18090 1 12 138 ASP . 18090 1 13 139 PRO . 18090 1 14 140 ASN . 18090 1 15 141 LEU . 18090 1 16 142 ILE . 18090 1 17 143 GLU . 18090 1 18 144 ASN . 18090 1 19 145 LEU . 18090 1 20 146 LYS . 18090 1 21 147 LYS . 18090 1 22 148 ASN . 18090 1 23 149 PRO . 18090 1 24 150 LYS . 18090 1 25 151 THR . 18090 1 26 152 SER . 18090 1 27 153 GLU . 18090 1 28 154 MET . 18090 1 29 155 MET . 18090 1 30 156 LYS . 18090 1 31 157 ASP . 18090 1 32 158 PRO . 18090 1 33 159 GLN . 18090 1 34 160 LEU . 18090 1 35 161 VAL . 18090 1 36 162 ALA . 18090 1 37 163 LYS . 18090 1 38 164 LEU . 18090 1 39 165 ILE . 18090 1 40 166 GLY . 18090 1 41 167 TYR . 18090 1 42 168 LYS . 18090 1 43 169 GLN . 18090 1 44 170 ASN . 18090 1 45 171 PRO . 18090 1 46 172 GLN . 18090 1 47 173 ALA . 18090 1 48 174 ILE . 18090 1 49 175 GLY . 18090 1 50 176 GLN . 18090 1 51 177 ASP . 18090 1 52 178 LEU . 18090 1 53 179 PHE . 18090 1 54 180 THR . 18090 1 55 181 ASP . 18090 1 56 182 PRO . 18090 1 57 183 ARG . 18090 1 58 184 LEU . 18090 1 59 185 MET . 18090 1 60 186 THR . 18090 1 61 187 ILE . 18090 1 62 188 MET . 18090 1 63 189 ALA . 18090 1 64 190 THR . 18090 1 65 191 LEU . 18090 1 66 192 MET . 18090 1 67 193 GLY . 18090 1 68 194 VAL . 18090 1 69 195 ASP . 18090 1 70 196 LEU . 18090 1 71 197 ASN . 18090 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 . GLN 1 1 18090 1 . PRO 2 2 18090 1 . ASP 3 3 18090 1 . LEU 4 4 18090 1 . GLY 5 5 18090 1 . LEU 6 6 18090 1 . THR 7 7 18090 1 . GLN 8 8 18090 1 . LEU 9 9 18090 1 . PHE 10 10 18090 1 . ALA 11 11 18090 1 . ASP 12 12 18090 1 . PRO 13 13 18090 1 . ASN 14 14 18090 1 . LEU 15 15 18090 1 . ILE 16 16 18090 1 . GLU 17 17 18090 1 . ASN 18 18 18090 1 . LEU 19 19 18090 1 . LYS 20 20 18090 1 . LYS 21 21 18090 1 . ASN 22 22 18090 1 . PRO 23 23 18090 1 . LYS 24 24 18090 1 . THR 25 25 18090 1 . SER 26 26 18090 1 . GLU 27 27 18090 1 . MET 28 28 18090 1 . MET 29 29 18090 1 . LYS 30 30 18090 1 . ASP 31 31 18090 1 . PRO 32 32 18090 1 . GLN 33 33 18090 1 . LEU 34 34 18090 1 . VAL 35 35 18090 1 . ALA 36 36 18090 1 . LYS 37 37 18090 1 . LEU 38 38 18090 1 . ILE 39 39 18090 1 . GLY 40 40 18090 1 . TYR 41 41 18090 1 . LYS 42 42 18090 1 . GLN 43 43 18090 1 . ASN 44 44 18090 1 . PRO 45 45 18090 1 . GLN 46 46 18090 1 . ALA 47 47 18090 1 . ILE 48 48 18090 1 . GLY 49 49 18090 1 . GLN 50 50 18090 1 . ASP 51 51 18090 1 . LEU 52 52 18090 1 . PHE 53 53 18090 1 . THR 54 54 18090 1 . ASP 55 55 18090 1 . PRO 56 56 18090 1 . ARG 57 57 18090 1 . LEU 58 58 18090 1 . MET 59 59 18090 1 . THR 60 60 18090 1 . ILE 61 61 18090 1 . MET 62 62 18090 1 . ALA 63 63 18090 1 . THR 64 64 18090 1 . LEU 65 65 18090 1 . MET 66 66 18090 1 . GLY 67 67 18090 1 . VAL 68 68 18090 1 . ASP 69 69 18090 1 . LEU 70 70 18090 1 . ASN 71 71 18090 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 18090 _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 $DP1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . STI1 . . . . 18090 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 18090 _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 $DP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . PET28A . . . . . . 18090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18090 _Sample.ID 1 _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 DP1 '[U-99% 13C; U-99% 15N]' . . 1 $DP1 . . . 0.5 3 mM . . . . 18090 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18090 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18090 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18090 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18090 _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 DP1 'natural abundance' . . 1 $DP1 . . 0.5 . . mM . . . . 18090 2 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18090 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18090 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18090 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18090 _Sample.ID 3 _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 DP1 '[U-99% 15N]' . . 1 $DP1 . . 0.5 . . mM . . . . 18090 3 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 3 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18090 3 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . w/v . . . . 18090 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18090 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18090 3 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 18090 _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' 0.35 . M 18090 1 pH 7.5 . pH 18090 1 pressure 1 . atm 18090 1 temperature 293 . K 18090 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18090 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18090 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18090 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18090 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18090 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18090 2 'data analysis' 18090 2 'peak picking' 18090 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18090 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18090 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18090 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18090 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18090 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18090 4 processing 18090 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18090 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 18090 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18090 5 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 18090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18090 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18090 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18090 _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 . 900 . . . 18090 1 2 spectrometer_2 Bruker DMX . 750 . . . 18090 1 3 spectrometer_3 Bruker DMX . 600 . . . 18090 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 18090 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 14 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 15 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 18 '3D CNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 19 '3D CCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 20 '3D NNH NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 21 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 22 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 1 23 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18090 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 18090 _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 . . . . . . . . . 18090 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18090 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18090 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 18090 _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' . . . 18090 1 2 '2D 1H-13C HSQC' . . . 18090 1 5 '3D HNCO' . . . 18090 1 6 '3D HN(CA)CO' . . . 18090 1 7 '3D HN(CO)CA' . . . 18090 1 8 '3D HNCA' . . . 18090 1 9 '3D CBCA(CO)NH' . . . 18090 1 10 '3D HNCACB' . . . 18090 1 11 '3D HCCH-TOCSY' . . . 18090 1 12 '3D HCCH-COSY' . . . 18090 1 13 '3D C(CO)NH' . . . 18090 1 14 '3D HNHA' . . . 18090 1 15 '3D HNHB' . . . 18090 1 21 '2D HBCBCGCDHD' . . . 18090 1 22 '2D HBCBCGCDCEHE' . . . 18090 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 GLN H H 1 8.34 0.02 . 1 . . . A 127 GLN H . 18090 1 2 . 1 1 1 1 GLN HA H 1 4.47 0.02 . 1 . . . A 127 GLN HA . 18090 1 3 . 1 1 1 1 GLN HB2 H 1 1.97 0.02 . 1 . . . A 127 GLN HB2 . 18090 1 4 . 1 1 1 1 GLN HB3 H 1 1.80 0.02 . 1 . . . A 127 GLN HB3 . 18090 1 5 . 1 1 1 1 GLN HG2 H 1 2.23 0.02 . 1 . . . A 127 GLN HG2 . 18090 1 6 . 1 1 1 1 GLN HG3 H 1 2.23 0.02 . 1 . . . A 127 GLN HG3 . 18090 1 7 . 1 1 1 1 GLN HE21 H 1 6.78 0.02 . 1 . . . A 127 GLN HE21 . 18090 1 8 . 1 1 1 1 GLN HE22 H 1 7.53 0.02 . 1 . . . A 127 GLN HE22 . 18090 1 9 . 1 1 1 1 GLN C C 13 173.99 0.05 . 1 . . . A 127 GLN C . 18090 1 10 . 1 1 1 1 GLN CA C 13 53.41 0.05 . 1 . . . A 127 GLN CA . 18090 1 11 . 1 1 1 1 GLN CB C 13 28.60 0.05 . 1 . . . A 127 GLN CB . 18090 1 12 . 1 1 1 1 GLN CG C 13 33.47 0.05 . 1 . . . A 127 GLN CG . 18090 1 13 . 1 1 1 1 GLN N N 15 122.72 0.05 . 1 . . . A 127 GLN N . 18090 1 14 . 1 1 1 1 GLN NE2 N 15 112.59 0.05 . 1 . . . A 127 GLN NE2 . 18090 1 15 . 1 1 2 2 PRO HA H 1 4.22 0.02 . 1 . . . A 128 PRO HA . 18090 1 16 . 1 1 2 2 PRO HB2 H 1 1.74 0.02 . 1 . . . A 128 PRO HB2 . 18090 1 17 . 1 1 2 2 PRO HB3 H 1 2.10 0.02 . 1 . . . A 128 PRO HB3 . 18090 1 18 . 1 1 2 2 PRO HG2 H 1 1.84 0.02 . 1 . . . A 128 PRO HG2 . 18090 1 19 . 1 1 2 2 PRO HG3 H 1 1.84 0.02 . 1 . . . A 128 PRO HG3 . 18090 1 20 . 1 1 2 2 PRO HD2 H 1 3.62 0.02 . 2 . . . A 128 PRO HD2 . 18090 1 21 . 1 1 2 2 PRO HD3 H 1 3.56 0.02 . 2 . . . A 128 PRO HD3 . 18090 1 22 . 1 1 2 2 PRO CA C 13 63.32 0.05 . 1 . . . A 128 PRO CA . 18090 1 23 . 1 1 2 2 PRO CB C 13 31.68 0.05 . 1 . . . A 128 PRO CB . 18090 1 24 . 1 1 2 2 PRO CG C 13 27.32 0.05 . 1 . . . A 128 PRO CG . 18090 1 25 . 1 1 2 2 PRO CD C 13 50.49 0.05 . 1 . . . A 128 PRO CD . 18090 1 26 . 1 1 3 3 ASP H H 1 8.31 0.02 . 1 . . . A 129 ASP H . 18090 1 27 . 1 1 3 3 ASP HA H 1 4.40 0.02 . 1 . . . A 129 ASP HA . 18090 1 28 . 1 1 3 3 ASP HB2 H 1 2.52 0.02 . 1 . . . A 129 ASP HB2 . 18090 1 29 . 1 1 3 3 ASP HB3 H 1 2.52 0.02 . 1 . . . A 129 ASP HB3 . 18090 1 30 . 1 1 3 3 ASP C C 13 176.12 0.05 . 1 . . . A 129 ASP C . 18090 1 31 . 1 1 3 3 ASP CA C 13 54.05 0.05 . 1 . . . A 129 ASP CA . 18090 1 32 . 1 1 3 3 ASP CB C 13 40.77 0.05 . 1 . . . A 129 ASP CB . 18090 1 33 . 1 1 3 3 ASP N N 15 119.32 0.05 . 1 . . . A 129 ASP N . 18090 1 34 . 1 1 4 4 LEU H H 1 8.08 0.02 . 1 . . . A 130 LEU H . 18090 1 35 . 1 1 4 4 LEU HA H 1 4.13 0.02 . 1 . . . A 130 LEU HA . 18090 1 36 . 1 1 4 4 LEU HB2 H 1 1.44 0.02 . 1 . . . A 130 LEU HB2 . 18090 1 37 . 1 1 4 4 LEU HB3 H 1 1.52 0.02 . 1 . . . A 130 LEU HB3 . 18090 1 38 . 1 1 4 4 LEU HG H 1 1.45 0.02 . 1 . . . A 130 LEU HG . 18090 1 39 . 1 1 4 4 LEU HD11 H 1 0.74 0.02 . 1 . . . A 130 LEU HD11 . 18090 1 40 . 1 1 4 4 LEU HD12 H 1 0.74 0.02 . 1 . . . A 130 LEU HD12 . 18090 1 41 . 1 1 4 4 LEU HD13 H 1 0.74 0.02 . 1 . . . A 130 LEU HD13 . 18090 1 42 . 1 1 4 4 LEU HD21 H 1 0.68 0.02 . 1 . . . A 130 LEU HD21 . 18090 1 43 . 1 1 4 4 LEU HD22 H 1 0.68 0.02 . 1 . . . A 130 LEU HD22 . 18090 1 44 . 1 1 4 4 LEU HD23 H 1 0.68 0.02 . 1 . . . A 130 LEU HD23 . 18090 1 45 . 1 1 4 4 LEU C C 13 177.28 0.05 . 1 . . . A 130 LEU C . 18090 1 46 . 1 1 4 4 LEU CA C 13 55.35 0.05 . 1 . . . A 130 LEU CA . 18090 1 47 . 1 1 4 4 LEU CB C 13 41.49 0.05 . 1 . . . A 130 LEU CB . 18090 1 48 . 1 1 4 4 LEU CG C 13 26.87 0.05 . 1 . . . A 130 LEU CG . 18090 1 49 . 1 1 4 4 LEU CD1 C 13 25.10 0.05 . 1 . . . A 130 LEU CD1 . 18090 1 50 . 1 1 4 4 LEU CD2 C 13 23.40 0.05 . 1 . . . A 130 LEU CD2 . 18090 1 51 . 1 1 4 4 LEU N N 15 122.28 0.05 . 1 . . . A 130 LEU N . 18090 1 52 . 1 1 5 5 GLY H H 1 8.18 0.02 . 1 . . . A 131 GLY H . 18090 1 53 . 1 1 5 5 GLY HA2 H 1 3.74 0.02 . 1 . . . A 131 GLY HA2 . 18090 1 54 . 1 1 5 5 GLY HA3 H 1 3.74 0.02 . 1 . . . A 131 GLY HA3 . 18090 1 55 . 1 1 5 5 GLY C C 13 175.12 0.05 . 1 . . . A 131 GLY C . 18090 1 56 . 1 1 5 5 GLY CA C 13 45.30 0.05 . 1 . . . A 131 GLY CA . 18090 1 57 . 1 1 5 5 GLY N N 15 107.83 0.05 . 1 . . . A 131 GLY N . 18090 1 58 . 1 1 6 6 LEU H H 1 8.15 0.02 . 1 . . . A 132 LEU H . 18090 1 59 . 1 1 6 6 LEU HA H 1 3.87 0.02 . 1 . . . A 132 LEU HA . 18090 1 60 . 1 1 6 6 LEU HB2 H 1 1.37 0.02 . 1 . . . A 132 LEU HB2 . 18090 1 61 . 1 1 6 6 LEU HB3 H 1 1.48 0.02 . 1 . . . A 132 LEU HB3 . 18090 1 62 . 1 1 6 6 LEU HG H 1 1.41 0.02 . 1 . . . A 132 LEU HG . 18090 1 63 . 1 1 6 6 LEU HD11 H 1 0.62 0.02 . 1 . . . A 132 LEU HD11 . 18090 1 64 . 1 1 6 6 LEU HD12 H 1 0.62 0.02 . 1 . . . A 132 LEU HD12 . 18090 1 65 . 1 1 6 6 LEU HD13 H 1 0.62 0.02 . 1 . . . A 132 LEU HD13 . 18090 1 66 . 1 1 6 6 LEU HD21 H 1 0.55 0.02 . 1 . . . A 132 LEU HD21 . 18090 1 67 . 1 1 6 6 LEU HD22 H 1 0.55 0.02 . 1 . . . A 132 LEU HD22 . 18090 1 68 . 1 1 6 6 LEU HD23 H 1 0.55 0.02 . 1 . . . A 132 LEU HD23 . 18090 1 69 . 1 1 6 6 LEU C C 13 178.00 0.05 . 1 . . . A 132 LEU C . 18090 1 70 . 1 1 6 6 LEU CA C 13 57.18 0.05 . 1 . . . A 132 LEU CA . 18090 1 71 . 1 1 6 6 LEU CB C 13 41.87 0.05 . 1 . . . A 132 LEU CB . 18090 1 72 . 1 1 6 6 LEU CG C 13 26.81 0.05 . 1 . . . A 132 LEU CG . 18090 1 73 . 1 1 6 6 LEU CD1 C 13 24.12 0.05 . 1 . . . A 132 LEU CD1 . 18090 1 74 . 1 1 6 6 LEU CD2 C 13 23.92 0.05 . 1 . . . A 132 LEU CD2 . 18090 1 75 . 1 1 6 6 LEU N N 15 121.08 0.05 . 1 . . . A 132 LEU N . 18090 1 76 . 1 1 7 7 THR H H 1 7.97 0.02 . 1 . . . A 133 THR H . 18090 1 77 . 1 1 7 7 THR HA H 1 3.73 0.02 . 1 . . . A 133 THR HA . 18090 1 78 . 1 1 7 7 THR HB H 1 4.03 0.02 . 1 . . . A 133 THR HB . 18090 1 79 . 1 1 7 7 THR HG21 H 1 1.08 0.02 . 1 . . . A 133 THR HG21 . 18090 1 80 . 1 1 7 7 THR HG22 H 1 1.08 0.02 . 1 . . . A 133 THR HG22 . 18090 1 81 . 1 1 7 7 THR HG23 H 1 1.08 0.02 . 1 . . . A 133 THR HG23 . 18090 1 82 . 1 1 7 7 THR C C 13 176.53 0.05 . 1 . . . A 133 THR C . 18090 1 83 . 1 1 7 7 THR CA C 13 65.94 0.05 . 1 . . . A 133 THR CA . 18090 1 84 . 1 1 7 7 THR CB C 13 68.13 0.05 . 1 . . . A 133 THR CB . 18090 1 85 . 1 1 7 7 THR CG2 C 13 21.92 0.05 . 1 . . . A 133 THR CG2 . 18090 1 86 . 1 1 7 7 THR N N 15 111.58 0.05 . 1 . . . A 133 THR N . 18090 1 87 . 1 1 8 8 GLN H H 1 7.89 0.02 . 1 . . . A 134 GLN H . 18090 1 88 . 1 1 8 8 GLN HA H 1 3.99 0.02 . 1 . . . A 134 GLN HA . 18090 1 89 . 1 1 8 8 GLN HB2 H 1 1.93 0.02 . 1 . . . A 134 GLN HB2 . 18090 1 90 . 1 1 8 8 GLN HB3 H 1 1.93 0.02 . 1 . . . A 134 GLN HB3 . 18090 1 91 . 1 1 8 8 GLN HG2 H 1 2.26 0.02 . 1 . . . A 134 GLN HG2 . 18090 1 92 . 1 1 8 8 GLN HG3 H 1 2.26 0.02 . 1 . . . A 134 GLN HG3 . 18090 1 93 . 1 1 8 8 GLN HE21 H 1 6.75 0.02 . 1 . . . A 134 GLN HE21 . 18090 1 94 . 1 1 8 8 GLN HE22 H 1 7.41 0.02 . 1 . . . A 134 GLN HE22 . 18090 1 95 . 1 1 8 8 GLN C C 13 178.19 0.05 . 1 . . . A 134 GLN C . 18090 1 96 . 1 1 8 8 GLN CA C 13 57.93 0.05 . 1 . . . A 134 GLN CA . 18090 1 97 . 1 1 8 8 GLN CB C 13 27.85 0.05 . 1 . . . A 134 GLN CB . 18090 1 98 . 1 1 8 8 GLN CG C 13 33.97 0.05 . 1 . . . A 134 GLN CG . 18090 1 99 . 1 1 8 8 GLN N N 15 119.49 0.05 . 1 . . . A 134 GLN N . 18090 1 100 . 1 1 8 8 GLN NE2 N 15 112.15 0.05 . 1 . . . A 134 GLN NE2 . 18090 1 101 . 1 1 9 9 LEU H H 1 7.60 0.02 . 1 . . . A 135 LEU H . 18090 1 102 . 1 1 9 9 LEU HA H 1 3.82 0.02 . 1 . . . A 135 LEU HA . 18090 1 103 . 1 1 9 9 LEU HB2 H 1 1.03 0.02 . 1 . . . A 135 LEU HB2 . 18090 1 104 . 1 1 9 9 LEU HB3 H 1 1.40 0.02 . 1 . . . A 135 LEU HB3 . 18090 1 105 . 1 1 9 9 LEU HG H 1 1.40 0.02 . 1 . . . A 135 LEU HG . 18090 1 106 . 1 1 9 9 LEU HD11 H 1 0.54 0.02 . 2 . . . A 135 LEU HD11 . 18090 1 107 . 1 1 9 9 LEU HD12 H 1 0.54 0.02 . 2 . . . A 135 LEU HD12 . 18090 1 108 . 1 1 9 9 LEU HD13 H 1 0.54 0.02 . 2 . . . A 135 LEU HD13 . 18090 1 109 . 1 1 9 9 LEU HD21 H 1 0.62 0.02 . 2 . . . A 135 LEU HD21 . 18090 1 110 . 1 1 9 9 LEU HD22 H 1 0.62 0.02 . 2 . . . A 135 LEU HD22 . 18090 1 111 . 1 1 9 9 LEU HD23 H 1 0.62 0.02 . 2 . . . A 135 LEU HD23 . 18090 1 112 . 1 1 9 9 LEU C C 13 177.81 0.05 . 1 . . . A 135 LEU C . 18090 1 113 . 1 1 9 9 LEU CA C 13 57.47 0.05 . 1 . . . A 135 LEU CA . 18090 1 114 . 1 1 9 9 LEU CB C 13 41.64 0.05 . 1 . . . A 135 LEU CB . 18090 1 115 . 1 1 9 9 LEU CG C 13 26.40 0.05 . 1 . . . A 135 LEU CG . 18090 1 116 . 1 1 9 9 LEU CD1 C 13 23.92 0.05 . 2 . . . A 135 LEU CD1 . 18090 1 117 . 1 1 9 9 LEU CD2 C 13 25.65 0.05 . 2 . . . A 135 LEU CD2 . 18090 1 118 . 1 1 9 9 LEU N N 15 120.17 0.05 . 1 . . . A 135 LEU N . 18090 1 119 . 1 1 10 10 PHE H H 1 7.41 0.02 . 1 . . . A 136 PHE H . 18090 1 120 . 1 1 10 10 PHE HA H 1 4.38 0.02 . 1 . . . A 136 PHE HA . 18090 1 121 . 1 1 10 10 PHE HB2 H 1 2.62 0.02 . 1 . . . A 136 PHE HB2 . 18090 1 122 . 1 1 10 10 PHE HB3 H 1 3.15 0.02 . 1 . . . A 136 PHE HB3 . 18090 1 123 . 1 1 10 10 PHE HD1 H 1 7.13 0.02 . 1 . . . A 136 PHE HD1 . 18090 1 124 . 1 1 10 10 PHE HD2 H 1 7.13 0.02 . 1 . . . A 136 PHE HD2 . 18090 1 125 . 1 1 10 10 PHE HE1 H 1 6.94 0.02 . 1 . . . A 136 PHE HE1 . 18090 1 126 . 1 1 10 10 PHE HE2 H 1 6.94 0.02 . 1 . . . A 136 PHE HE2 . 18090 1 127 . 1 1 10 10 PHE HZ H 1 6.89 0.02 . 1 . . . A 136 PHE HZ . 18090 1 128 . 1 1 10 10 PHE C C 13 174.99 0.05 . 1 . . . A 136 PHE C . 18090 1 129 . 1 1 10 10 PHE CA C 13 58.45 0.05 . 1 . . . A 136 PHE CA . 18090 1 130 . 1 1 10 10 PHE CB C 13 38.57 0.05 . 1 . . . A 136 PHE CB . 18090 1 131 . 1 1 10 10 PHE CD1 C 13 131.50 0.05 . 1 . . . A 136 PHE CD1 . 18090 1 132 . 1 1 10 10 PHE CD2 C 13 131.50 0.05 . 1 . . . A 136 PHE CD2 . 18090 1 133 . 1 1 10 10 PHE CE1 C 13 130.44 0.05 . 1 . . . A 136 PHE CE1 . 18090 1 134 . 1 1 10 10 PHE CE2 C 13 130.44 0.05 . 1 . . . A 136 PHE CE2 . 18090 1 135 . 1 1 10 10 PHE CZ C 13 129.08 0.05 . 1 . . . A 136 PHE CZ . 18090 1 136 . 1 1 10 10 PHE N N 15 111.95 0.05 . 1 . . . A 136 PHE N . 18090 1 137 . 1 1 11 11 ALA H H 1 7.33 0.02 . 1 . . . A 137 ALA H . 18090 1 138 . 1 1 11 11 ALA HA H 1 4.13 0.02 . 1 . . . A 137 ALA HA . 18090 1 139 . 1 1 11 11 ALA HB1 H 1 1.36 0.02 . 1 . . . A 137 ALA HB1 . 18090 1 140 . 1 1 11 11 ALA HB2 H 1 1.36 0.02 . 1 . . . A 137 ALA HB2 . 18090 1 141 . 1 1 11 11 ALA HB3 H 1 1.36 0.02 . 1 . . . A 137 ALA HB3 . 18090 1 142 . 1 1 11 11 ALA C C 13 177.09 0.05 . 1 . . . A 137 ALA C . 18090 1 143 . 1 1 11 11 ALA CA C 13 52.58 0.05 . 1 . . . A 137 ALA CA . 18090 1 144 . 1 1 11 11 ALA CB C 13 18.66 0.05 . 1 . . . A 137 ALA CB . 18090 1 145 . 1 1 11 11 ALA N N 15 120.23 0.05 . 1 . . . A 137 ALA N . 18090 1 146 . 1 1 12 12 ASP H H 1 6.98 0.02 . 1 . . . A 138 ASP H . 18090 1 147 . 1 1 12 12 ASP HA H 1 4.51 0.02 . 1 . . . A 138 ASP HA . 18090 1 148 . 1 1 12 12 ASP HB2 H 1 2.61 0.02 . 1 . . . A 138 ASP HB2 . 18090 1 149 . 1 1 12 12 ASP HB3 H 1 2.55 0.02 . 1 . . . A 138 ASP HB3 . 18090 1 150 . 1 1 12 12 ASP C C 13 176.37 0.05 . 1 . . . A 138 ASP C . 18090 1 151 . 1 1 12 12 ASP CA C 13 51.96 0.05 . 1 . . . A 138 ASP CA . 18090 1 152 . 1 1 12 12 ASP CB C 13 41.99 0.05 . 1 . . . A 138 ASP CB . 18090 1 153 . 1 1 12 12 ASP N N 15 119.83 0.05 . 1 . . . A 138 ASP N . 18090 1 154 . 1 1 13 13 PRO HA H 1 4.26 0.02 . 1 . . . A 139 PRO HA . 18090 1 155 . 1 1 13 13 PRO HB2 H 1 2.25 0.02 . 2 . . . A 139 PRO HB2 . 18090 1 156 . 1 1 13 13 PRO HB3 H 1 1.80 0.02 . 2 . . . A 139 PRO HB3 . 18090 1 157 . 1 1 13 13 PRO HG2 H 1 1.85 0.02 . 1 . . . A 139 PRO HG2 . 18090 1 158 . 1 1 13 13 PRO HG3 H 1 1.85 0.02 . 1 . . . A 139 PRO HG3 . 18090 1 159 . 1 1 13 13 PRO HD2 H 1 3.86 0.02 . 1 . . . A 139 PRO HD2 . 18090 1 160 . 1 1 13 13 PRO HD3 H 1 3.86 0.02 . 1 . . . A 139 PRO HD3 . 18090 1 161 . 1 1 13 13 PRO CA C 13 64.35 0.05 . 1 . . . A 139 PRO CA . 18090 1 162 . 1 1 13 13 PRO CB C 13 31.76 0.05 . 1 . . . A 139 PRO CB . 18090 1 163 . 1 1 13 13 PRO CG C 13 27.20 0.05 . 1 . . . A 139 PRO CG . 18090 1 164 . 1 1 13 13 PRO CD C 13 51.28 0.05 . 1 . . . A 139 PRO CD . 18090 1 165 . 1 1 14 14 ASN H H 1 8.67 0.02 . 1 . . . A 140 ASN H . 18090 1 166 . 1 1 14 14 ASN HA H 1 4.84 0.02 . 1 . . . A 140 ASN HA . 18090 1 167 . 1 1 14 14 ASN HB2 H 1 2.79 0.02 . 1 . . . A 140 ASN HB2 . 18090 1 168 . 1 1 14 14 ASN HB3 H 1 2.49 0.02 . 1 . . . A 140 ASN HB3 . 18090 1 169 . 1 1 14 14 ASN HD21 H 1 6.86 0.02 . 1 . . . A 140 ASN HD21 . 18090 1 170 . 1 1 14 14 ASN HD22 H 1 7.73 0.02 . 1 . . . A 140 ASN HD22 . 18090 1 171 . 1 1 14 14 ASN C C 13 173.84 0.05 . 1 . . . A 140 ASN C . 18090 1 172 . 1 1 14 14 ASN CA C 13 52.38 0.05 . 1 . . . A 140 ASN CA . 18090 1 173 . 1 1 14 14 ASN CB C 13 38.33 0.05 . 1 . . . A 140 ASN CB . 18090 1 174 . 1 1 14 14 ASN N N 15 116.84 0.05 . 1 . . . A 140 ASN N . 18090 1 175 . 1 1 14 14 ASN ND2 N 15 114.82 0.05 . 1 . . . A 140 ASN ND2 . 18090 1 176 . 1 1 15 15 LEU H H 1 7.20 0.02 . 1 . . . A 141 LEU H . 18090 1 177 . 1 1 15 15 LEU HA H 1 3.79 0.02 . 1 . . . A 141 LEU HA . 18090 1 178 . 1 1 15 15 LEU HB2 H 1 1.61 0.02 . 1 . . . A 141 LEU HB2 . 18090 1 179 . 1 1 15 15 LEU HB3 H 1 1.82 0.02 . 1 . . . A 141 LEU HB3 . 18090 1 180 . 1 1 15 15 LEU HG H 1 1.35 0.02 . 1 . . . A 141 LEU HG . 18090 1 181 . 1 1 15 15 LEU HD11 H 1 0.83 0.02 . 1 . . . A 141 LEU HD11 . 18090 1 182 . 1 1 15 15 LEU HD12 H 1 0.83 0.02 . 1 . . . A 141 LEU HD12 . 18090 1 183 . 1 1 15 15 LEU HD13 H 1 0.83 0.02 . 1 . . . A 141 LEU HD13 . 18090 1 184 . 1 1 15 15 LEU HD21 H 1 0.86 0.02 . 1 . . . A 141 LEU HD21 . 18090 1 185 . 1 1 15 15 LEU HD22 H 1 0.86 0.02 . 1 . . . A 141 LEU HD22 . 18090 1 186 . 1 1 15 15 LEU HD23 H 1 0.86 0.02 . 1 . . . A 141 LEU HD23 . 18090 1 187 . 1 1 15 15 LEU C C 13 177.12 0.05 . 1 . . . A 141 LEU C . 18090 1 188 . 1 1 15 15 LEU CA C 13 59.28 0.05 . 1 . . . A 141 LEU CA . 18090 1 189 . 1 1 15 15 LEU CB C 13 42.98 0.05 . 1 . . . A 141 LEU CB . 18090 1 190 . 1 1 15 15 LEU CG C 13 27.00 0.05 . 1 . . . A 141 LEU CG . 18090 1 191 . 1 1 15 15 LEU CD1 C 13 25.16 0.05 . 1 . . . A 141 LEU CD1 . 18090 1 192 . 1 1 15 15 LEU CD2 C 13 27.01 0.05 . 1 . . . A 141 LEU CD2 . 18090 1 193 . 1 1 15 15 LEU N N 15 120.29 0.05 . 1 . . . A 141 LEU N . 18090 1 194 . 1 1 16 16 ILE H H 1 7.94 0.02 . 1 . . . A 142 ILE H . 18090 1 195 . 1 1 16 16 ILE HA H 1 3.48 0.02 . 1 . . . A 142 ILE HA . 18090 1 196 . 1 1 16 16 ILE HB H 1 1.93 0.02 . 1 . . . A 142 ILE HB . 18090 1 197 . 1 1 16 16 ILE HG12 H 1 1.31 0.02 . 1 . . . A 142 ILE HG12 . 18090 1 198 . 1 1 16 16 ILE HG13 H 1 1.48 0.02 . 1 . . . A 142 ILE HG13 . 18090 1 199 . 1 1 16 16 ILE HG21 H 1 0.68 0.02 . 1 . . . A 142 ILE HG21 . 18090 1 200 . 1 1 16 16 ILE HG22 H 1 0.68 0.02 . 1 . . . A 142 ILE HG22 . 18090 1 201 . 1 1 16 16 ILE HG23 H 1 0.68 0.02 . 1 . . . A 142 ILE HG23 . 18090 1 202 . 1 1 16 16 ILE HD11 H 1 0.63 0.02 . 1 . . . A 142 ILE HD11 . 18090 1 203 . 1 1 16 16 ILE HD12 H 1 0.63 0.02 . 1 . . . A 142 ILE HD12 . 18090 1 204 . 1 1 16 16 ILE HD13 H 1 0.63 0.02 . 1 . . . A 142 ILE HD13 . 18090 1 205 . 1 1 16 16 ILE C C 13 177.99 0.05 . 1 . . . A 142 ILE C . 18090 1 206 . 1 1 16 16 ILE CA C 13 62.69 0.05 . 1 . . . A 142 ILE CA . 18090 1 207 . 1 1 16 16 ILE CB C 13 34.62 0.05 . 1 . . . A 142 ILE CB . 18090 1 208 . 1 1 16 16 ILE CG1 C 13 27.41 0.05 . 1 . . . A 142 ILE CG1 . 18090 1 209 . 1 1 16 16 ILE CG2 C 13 17.65 0.05 . 1 . . . A 142 ILE CG2 . 18090 1 210 . 1 1 16 16 ILE CD1 C 13 10.89 0.05 . 1 . . . A 142 ILE CD1 . 18090 1 211 . 1 1 16 16 ILE N N 15 115.29 0.05 . 1 . . . A 142 ILE N . 18090 1 212 . 1 1 17 17 GLU H H 1 7.97 0.02 . 1 . . . A 143 GLU H . 18090 1 213 . 1 1 17 17 GLU HA H 1 3.70 0.02 . 1 . . . A 143 GLU HA . 18090 1 214 . 1 1 17 17 GLU HB2 H 1 1.81 0.02 . 1 . . . A 143 GLU HB2 . 18090 1 215 . 1 1 17 17 GLU HB3 H 1 1.81 0.02 . 1 . . . A 143 GLU HB3 . 18090 1 216 . 1 1 17 17 GLU HG2 H 1 2.14 0.02 . 1 . . . A 143 GLU HG2 . 18090 1 217 . 1 1 17 17 GLU HG3 H 1 2.14 0.02 . 1 . . . A 143 GLU HG3 . 18090 1 218 . 1 1 17 17 GLU C C 13 179.17 0.05 . 1 . . . A 143 GLU C . 18090 1 219 . 1 1 17 17 GLU CA C 13 59.36 0.05 . 1 . . . A 143 GLU CA . 18090 1 220 . 1 1 17 17 GLU CB C 13 28.52 0.05 . 1 . . . A 143 GLU CB . 18090 1 221 . 1 1 17 17 GLU CG C 13 36.19 0.05 . 1 . . . A 143 GLU CG . 18090 1 222 . 1 1 17 17 GLU N N 15 119.60 0.05 . 1 . . . A 143 GLU N . 18090 1 223 . 1 1 18 18 ASN H H 1 8.45 0.02 . 1 . . . A 144 ASN H . 18090 1 224 . 1 1 18 18 ASN HA H 1 4.27 0.02 . 1 . . . A 144 ASN HA . 18090 1 225 . 1 1 18 18 ASN HB2 H 1 2.53 0.02 . 1 . . . A 144 ASN HB2 . 18090 1 226 . 1 1 18 18 ASN HB3 H 1 2.81 0.02 . 1 . . . A 144 ASN HB3 . 18090 1 227 . 1 1 18 18 ASN HD21 H 1 6.71 0.02 . 1 . . . A 144 ASN HD21 . 18090 1 228 . 1 1 18 18 ASN HD22 H 1 7.66 0.02 . 1 . . . A 144 ASN HD22 . 18090 1 229 . 1 1 18 18 ASN C C 13 179.12 0.05 . 1 . . . A 144 ASN C . 18090 1 230 . 1 1 18 18 ASN CA C 13 55.49 0.05 . 1 . . . A 144 ASN CA . 18090 1 231 . 1 1 18 18 ASN CB C 13 36.55 0.05 . 1 . . . A 144 ASN CB . 18090 1 232 . 1 1 18 18 ASN N N 15 117.17 0.05 . 1 . . . A 144 ASN N . 18090 1 233 . 1 1 18 18 ASN ND2 N 15 112.26 0.05 . 1 . . . A 144 ASN ND2 . 18090 1 234 . 1 1 19 19 LEU H H 1 7.99 0.02 . 1 . . . A 145 LEU H . 18090 1 235 . 1 1 19 19 LEU HA H 1 4.02 0.02 . 1 . . . A 145 LEU HA . 18090 1 236 . 1 1 19 19 LEU HB2 H 1 1.20 0.02 . 1 . . . A 145 LEU HB2 . 18090 1 237 . 1 1 19 19 LEU HB3 H 1 2.00 0.02 . 1 . . . A 145 LEU HB3 . 18090 1 238 . 1 1 19 19 LEU HG H 1 1.88 0.02 . 1 . . . A 145 LEU HG . 18090 1 239 . 1 1 19 19 LEU HD11 H 1 0.77 0.02 . 1 . . . A 145 LEU HD11 . 18090 1 240 . 1 1 19 19 LEU HD12 H 1 0.77 0.02 . 1 . . . A 145 LEU HD12 . 18090 1 241 . 1 1 19 19 LEU HD13 H 1 0.77 0.02 . 1 . . . A 145 LEU HD13 . 18090 1 242 . 1 1 19 19 LEU HD21 H 1 0.75 0.02 . 1 . . . A 145 LEU HD21 . 18090 1 243 . 1 1 19 19 LEU HD22 H 1 0.75 0.02 . 1 . . . A 145 LEU HD22 . 18090 1 244 . 1 1 19 19 LEU HD23 H 1 0.75 0.02 . 1 . . . A 145 LEU HD23 . 18090 1 245 . 1 1 19 19 LEU C C 13 180.26 0.05 . 1 . . . A 145 LEU C . 18090 1 246 . 1 1 19 19 LEU CA C 13 56.62 0.05 . 1 . . . A 145 LEU CA . 18090 1 247 . 1 1 19 19 LEU CB C 13 41.78 0.05 . 1 . . . A 145 LEU CB . 18090 1 248 . 1 1 19 19 LEU CG C 13 27.02 0.05 . 1 . . . A 145 LEU CG . 18090 1 249 . 1 1 19 19 LEU CD1 C 13 26.95 0.05 . 1 . . . A 145 LEU CD1 . 18090 1 250 . 1 1 19 19 LEU CD2 C 13 22.68 0.05 . 1 . . . A 145 LEU CD2 . 18090 1 251 . 1 1 19 19 LEU N N 15 121.06 0.05 . 1 . . . A 145 LEU N . 18090 1 252 . 1 1 20 20 LYS H H 1 8.25 0.02 . 1 . . . A 146 LYS H . 18090 1 253 . 1 1 20 20 LYS HA H 1 3.61 0.02 . 1 . . . A 146 LYS HA . 18090 1 254 . 1 1 20 20 LYS HB2 H 1 1.66 0.02 . 1 . . . A 146 LYS HB2 . 18090 1 255 . 1 1 20 20 LYS HB3 H 1 1.77 0.02 . 1 . . . A 146 LYS HB3 . 18090 1 256 . 1 1 20 20 LYS HG2 H 1 1.51 0.02 . 1 . . . A 146 LYS HG2 . 18090 1 257 . 1 1 20 20 LYS HG3 H 1 1.14 0.02 . 1 . . . A 146 LYS HG3 . 18090 1 258 . 1 1 20 20 LYS HD2 H 1 1.38 0.02 . 2 . . . A 146 LYS HD2 . 18090 1 259 . 1 1 20 20 LYS HD3 H 1 1.43 0.02 . 2 . . . A 146 LYS HD3 . 18090 1 260 . 1 1 20 20 LYS HE2 H 1 2.57 0.02 . 2 . . . A 146 LYS HE2 . 18090 1 261 . 1 1 20 20 LYS HE3 H 1 2.71 0.02 . 2 . . . A 146 LYS HE3 . 18090 1 262 . 1 1 20 20 LYS C C 13 177.39 0.05 . 1 . . . A 146 LYS C . 18090 1 263 . 1 1 20 20 LYS CA C 13 59.64 0.05 . 1 . . . A 146 LYS CA . 18090 1 264 . 1 1 20 20 LYS CB C 13 32.45 0.05 . 1 . . . A 146 LYS CB . 18090 1 265 . 1 1 20 20 LYS CG C 13 26.55 0.05 . 1 . . . A 146 LYS CG . 18090 1 266 . 1 1 20 20 LYS CD C 13 29.87 0.05 . 1 . . . A 146 LYS CD . 18090 1 267 . 1 1 20 20 LYS CE C 13 41.45 0.05 . 1 . . . A 146 LYS CE . 18090 1 268 . 1 1 20 20 LYS N N 15 118.96 0.05 . 1 . . . A 146 LYS N . 18090 1 269 . 1 1 21 21 LYS H H 1 7.13 0.02 . 1 . . . A 147 LYS H . 18090 1 270 . 1 1 21 21 LYS HA H 1 4.11 0.02 . 1 . . . A 147 LYS HA . 18090 1 271 . 1 1 21 21 LYS HB2 H 1 1.72 0.02 . 1 . . . A 147 LYS HB2 . 18090 1 272 . 1 1 21 21 LYS HB3 H 1 1.69 0.02 . 1 . . . A 147 LYS HB3 . 18090 1 273 . 1 1 21 21 LYS HG2 H 1 1.37 0.02 . 1 . . . A 147 LYS HG2 . 18090 1 274 . 1 1 21 21 LYS HG3 H 1 1.41 0.02 . 1 . . . A 147 LYS HG3 . 18090 1 275 . 1 1 21 21 LYS HD2 H 1 1.52 0.02 . 2 . . . A 147 LYS HD2 . 18090 1 276 . 1 1 21 21 LYS HD3 H 1 1.55 0.02 . 2 . . . A 147 LYS HD3 . 18090 1 277 . 1 1 21 21 LYS HE2 H 1 2.82 0.02 . 1 . . . A 147 LYS HE2 . 18090 1 278 . 1 1 21 21 LYS HE3 H 1 2.82 0.02 . 1 . . . A 147 LYS HE3 . 18090 1 279 . 1 1 21 21 LYS C C 13 175.88 0.05 . 1 . . . A 147 LYS C . 18090 1 280 . 1 1 21 21 LYS CA C 13 56.21 0.05 . 1 . . . A 147 LYS CA . 18090 1 281 . 1 1 21 21 LYS CB C 13 33.00 0.05 . 1 . . . A 147 LYS CB . 18090 1 282 . 1 1 21 21 LYS CG C 13 24.80 0.05 . 1 . . . A 147 LYS CG . 18090 1 283 . 1 1 21 21 LYS CD C 13 29.23 0.05 . 1 . . . A 147 LYS CD . 18090 1 284 . 1 1 21 21 LYS CE C 13 41.89 0.05 . 1 . . . A 147 LYS CE . 18090 1 285 . 1 1 21 21 LYS N N 15 114.72 0.05 . 1 . . . A 147 LYS N . 18090 1 286 . 1 1 22 22 ASN H H 1 6.93 0.02 . 1 . . . A 148 ASN H . 18090 1 287 . 1 1 22 22 ASN HA H 1 4.74 0.02 . 1 . . . A 148 ASN HA . 18090 1 288 . 1 1 22 22 ASN HB2 H 1 3.30 0.02 . 1 . . . A 148 ASN HB2 . 18090 1 289 . 1 1 22 22 ASN HB3 H 1 2.49 0.02 . 1 . . . A 148 ASN HB3 . 18090 1 290 . 1 1 22 22 ASN HD21 H 1 6.96 0.02 . 1 . . . A 148 ASN HD21 . 18090 1 291 . 1 1 22 22 ASN HD22 H 1 7.79 0.02 . 1 . . . A 148 ASN HD22 . 18090 1 292 . 1 1 22 22 ASN C C 13 174.00 0.05 . 1 . . . A 148 ASN C . 18090 1 293 . 1 1 22 22 ASN CA C 13 50.97 0.05 . 1 . . . A 148 ASN CA . 18090 1 294 . 1 1 22 22 ASN CB C 13 38.67 0.05 . 1 . . . A 148 ASN CB . 18090 1 295 . 1 1 22 22 ASN N N 15 122.18 0.05 . 1 . . . A 148 ASN N . 18090 1 296 . 1 1 22 22 ASN ND2 N 15 115.03 0.05 . 1 . . . A 148 ASN ND2 . 18090 1 297 . 1 1 23 23 PRO HA H 1 4.30 0.02 . 1 . . . A 149 PRO HA . 18090 1 298 . 1 1 23 23 PRO HB2 H 1 2.26 0.02 . 1 . . . A 149 PRO HB2 . 18090 1 299 . 1 1 23 23 PRO HB3 H 1 2.26 0.02 . 1 . . . A 149 PRO HB3 . 18090 1 300 . 1 1 23 23 PRO HG2 H 1 1.92 0.02 . 1 . . . A 149 PRO HG2 . 18090 1 301 . 1 1 23 23 PRO HG3 H 1 1.92 0.02 . 1 . . . A 149 PRO HG3 . 18090 1 302 . 1 1 23 23 PRO HD2 H 1 3.89 0.02 . 2 . . . A 149 PRO HD2 . 18090 1 303 . 1 1 23 23 PRO HD3 H 1 3.62 0.02 . 2 . . . A 149 PRO HD3 . 18090 1 304 . 1 1 23 23 PRO CA C 13 64.61 0.05 . 1 . . . A 149 PRO CA . 18090 1 305 . 1 1 23 23 PRO CB C 13 32.00 0.05 . 1 . . . A 149 PRO CB . 18090 1 306 . 1 1 23 23 PRO CG C 13 27.47 0.05 . 1 . . . A 149 PRO CG . 18090 1 307 . 1 1 23 23 PRO CD C 13 50.87 0.05 . 1 . . . A 149 PRO CD . 18090 1 308 . 1 1 24 24 LYS H H 1 8.52 0.02 . 1 . . . A 150 LYS H . 18090 1 309 . 1 1 24 24 LYS HA H 1 4.07 0.02 . 1 . . . A 150 LYS HA . 18090 1 310 . 1 1 24 24 LYS HB2 H 1 1.57 0.02 . 1 . . . A 150 LYS HB2 . 18090 1 311 . 1 1 24 24 LYS HB3 H 1 1.66 0.02 . 1 . . . A 150 LYS HB3 . 18090 1 312 . 1 1 24 24 LYS HG2 H 1 1.32 0.02 . 2 . . . A 150 LYS HG2 . 18090 1 313 . 1 1 24 24 LYS HG3 H 1 1.41 0.02 . 2 . . . A 150 LYS HG3 . 18090 1 314 . 1 1 24 24 LYS HD2 H 1 1.56 0.02 . 1 . . . A 150 LYS HD2 . 18090 1 315 . 1 1 24 24 LYS HD3 H 1 1.56 0.02 . 1 . . . A 150 LYS HD3 . 18090 1 316 . 1 1 24 24 LYS HE2 H 1 2.84 0.02 . 1 . . . A 150 LYS HE2 . 18090 1 317 . 1 1 24 24 LYS HE3 H 1 2.84 0.02 . 1 . . . A 150 LYS HE3 . 18090 1 318 . 1 1 24 24 LYS C C 13 178.24 0.05 . 1 . . . A 150 LYS C . 18090 1 319 . 1 1 24 24 LYS CA C 13 57.95 0.05 . 1 . . . A 150 LYS CA . 18090 1 320 . 1 1 24 24 LYS CB C 13 32.59 0.05 . 1 . . . A 150 LYS CB . 18090 1 321 . 1 1 24 24 LYS CG C 13 25.34 0.05 . 1 . . . A 150 LYS CG . 18090 1 322 . 1 1 24 24 LYS CD C 13 28.76 0.05 . 1 . . . A 150 LYS CD . 18090 1 323 . 1 1 24 24 LYS CE C 13 41.90 0.05 . 1 . . . A 150 LYS CE . 18090 1 324 . 1 1 24 24 LYS N N 15 116.06 0.05 . 1 . . . A 150 LYS N . 18090 1 325 . 1 1 25 25 THR H H 1 7.49 0.02 . 1 . . . A 151 THR H . 18090 1 326 . 1 1 25 25 THR HA H 1 4.39 0.02 . 1 . . . A 151 THR HA . 18090 1 327 . 1 1 25 25 THR HB H 1 4.12 0.02 . 1 . . . A 151 THR HB . 18090 1 328 . 1 1 25 25 THR HG21 H 1 0.84 0.02 . 1 . . . A 151 THR HG21 . 18090 1 329 . 1 1 25 25 THR HG22 H 1 0.84 0.02 . 1 . . . A 151 THR HG22 . 18090 1 330 . 1 1 25 25 THR HG23 H 1 0.84 0.02 . 1 . . . A 151 THR HG23 . 18090 1 331 . 1 1 25 25 THR C C 13 176.09 0.05 . 1 . . . A 151 THR C . 18090 1 332 . 1 1 25 25 THR CA C 13 61.40 0.05 . 1 . . . A 151 THR CA . 18090 1 333 . 1 1 25 25 THR CB C 13 69.44 0.05 . 1 . . . A 151 THR CB . 18090 1 334 . 1 1 25 25 THR CG2 C 13 22.71 0.05 . 1 . . . A 151 THR CG2 . 18090 1 335 . 1 1 25 25 THR N N 15 105.19 0.05 . 1 . . . A 151 THR N . 18090 1 336 . 1 1 26 26 SER H H 1 8.19 0.02 . 1 . . . A 152 SER H . 18090 1 337 . 1 1 26 26 SER HA H 1 3.77 0.02 . 1 . . . A 152 SER HA . 18090 1 338 . 1 1 26 26 SER HB2 H 1 3.54 0.02 . 1 . . . A 152 SER HB2 . 18090 1 339 . 1 1 26 26 SER HB3 H 1 3.66 0.02 . 1 . . . A 152 SER HB3 . 18090 1 340 . 1 1 26 26 SER C C 13 177.47 0.05 . 1 . . . A 152 SER C . 18090 1 341 . 1 1 26 26 SER CA C 13 62.45 0.05 . 1 . . . A 152 SER CA . 18090 1 342 . 1 1 26 26 SER CB C 13 62.52 0.05 . 1 . . . A 152 SER CB . 18090 1 343 . 1 1 26 26 SER N N 15 119.70 0.05 . 1 . . . A 152 SER N . 18090 1 344 . 1 1 27 27 GLU H H 1 8.35 0.02 . 1 . . . A 153 GLU H . 18090 1 345 . 1 1 27 27 GLU HA H 1 3.89 0.02 . 1 . . . A 153 GLU HA . 18090 1 346 . 1 1 27 27 GLU HB2 H 1 1.84 0.02 . 1 . . . A 153 GLU HB2 . 18090 1 347 . 1 1 27 27 GLU HB3 H 1 1.84 0.02 . 1 . . . A 153 GLU HB3 . 18090 1 348 . 1 1 27 27 GLU HG2 H 1 2.16 0.02 . 1 . . . A 153 GLU HG2 . 18090 1 349 . 1 1 27 27 GLU HG3 H 1 2.16 0.02 . 1 . . . A 153 GLU HG3 . 18090 1 350 . 1 1 27 27 GLU C C 13 180.04 0.05 . 1 . . . A 153 GLU C . 18090 1 351 . 1 1 27 27 GLU CA C 13 58.70 0.05 . 1 . . . A 153 GLU CA . 18090 1 352 . 1 1 27 27 GLU CB C 13 28.59 0.05 . 1 . . . A 153 GLU CB . 18090 1 353 . 1 1 27 27 GLU CG C 13 35.67 0.05 . 1 . . . A 153 GLU CG . 18090 1 354 . 1 1 27 27 GLU N N 15 119.87 0.05 . 1 . . . A 153 GLU N . 18090 1 355 . 1 1 28 28 MET H H 1 7.85 0.02 . 1 . . . A 154 MET H . 18090 1 356 . 1 1 28 28 MET HA H 1 4.04 0.02 . 1 . . . A 154 MET HA . 18090 1 357 . 1 1 28 28 MET HB2 H 1 1.94 0.02 . 1 . . . A 154 MET HB2 . 18090 1 358 . 1 1 28 28 MET HB3 H 1 1.89 0.02 . 1 . . . A 154 MET HB3 . 18090 1 359 . 1 1 28 28 MET HG2 H 1 2.57 0.02 . 1 . . . A 154 MET HG2 . 18090 1 360 . 1 1 28 28 MET HG3 H 1 2.36 0.02 . 1 . . . A 154 MET HG3 . 18090 1 361 . 1 1 28 28 MET HE1 H 1 2.06 0.02 . 1 . . . A 154 MET HE1 . 18090 1 362 . 1 1 28 28 MET HE2 H 1 2.06 0.02 . 1 . . . A 154 MET HE2 . 18090 1 363 . 1 1 28 28 MET HE3 H 1 2.06 0.02 . 1 . . . A 154 MET HE3 . 18090 1 364 . 1 1 28 28 MET C C 13 177.11 0.05 . 1 . . . A 154 MET C . 18090 1 365 . 1 1 28 28 MET CA C 13 58.51 0.05 . 1 . . . A 154 MET CA . 18090 1 366 . 1 1 28 28 MET CB C 13 31.43 0.05 . 1 . . . A 154 MET CB . 18090 1 367 . 1 1 28 28 MET CG C 13 31.56 0.05 . 1 . . . A 154 MET CG . 18090 1 368 . 1 1 28 28 MET CE C 13 16.83 0.05 . 1 . . . A 154 MET CE . 18090 1 369 . 1 1 28 28 MET N N 15 119.43 0.05 . 1 . . . A 154 MET N . 18090 1 370 . 1 1 29 29 MET H H 1 7.20 0.02 . 1 . . . A 155 MET H . 18090 1 371 . 1 1 29 29 MET HA H 1 4.34 0.02 . 1 . . . A 155 MET HA . 18090 1 372 . 1 1 29 29 MET HB2 H 1 1.86 0.02 . 1 . . . A 155 MET HB2 . 18090 1 373 . 1 1 29 29 MET HB3 H 1 1.90 0.02 . 1 . . . A 155 MET HB3 . 18090 1 374 . 1 1 29 29 MET HG2 H 1 2.47 0.02 . 1 . . . A 155 MET HG2 . 18090 1 375 . 1 1 29 29 MET HG3 H 1 2.38 0.02 . 1 . . . A 155 MET HG3 . 18090 1 376 . 1 1 29 29 MET HE1 H 1 1.77 0.02 . 1 . . . A 155 MET HE1 . 18090 1 377 . 1 1 29 29 MET HE2 H 1 1.77 0.02 . 1 . . . A 155 MET HE2 . 18090 1 378 . 1 1 29 29 MET HE3 H 1 1.77 0.02 . 1 . . . A 155 MET HE3 . 18090 1 379 . 1 1 29 29 MET C C 13 175.53 0.05 . 1 . . . A 155 MET C . 18090 1 380 . 1 1 29 29 MET CA C 13 53.79 0.05 . 1 . . . A 155 MET CA . 18090 1 381 . 1 1 29 29 MET CB C 13 30.38 0.05 . 1 . . . A 155 MET CB . 18090 1 382 . 1 1 29 29 MET CG C 13 32.10 0.05 . 1 . . . A 155 MET CG . 18090 1 383 . 1 1 29 29 MET CE C 13 18.46 0.05 . 1 . . . A 155 MET CE . 18090 1 384 . 1 1 29 29 MET N N 15 112.64 0.05 . 1 . . . A 155 MET N . 18090 1 385 . 1 1 30 30 LYS H H 1 7.13 0.02 . 1 . . . A 156 LYS H . 18090 1 386 . 1 1 30 30 LYS HA H 1 3.96 0.02 . 1 . . . A 156 LYS HA . 18090 1 387 . 1 1 30 30 LYS HB2 H 1 1.85 0.02 . 1 . . . A 156 LYS HB2 . 18090 1 388 . 1 1 30 30 LYS HB3 H 1 1.66 0.02 . 1 . . . A 156 LYS HB3 . 18090 1 389 . 1 1 30 30 LYS HG2 H 1 1.52 0.02 . 1 . . . A 156 LYS HG2 . 18090 1 390 . 1 1 30 30 LYS HG3 H 1 1.22 0.02 . 1 . . . A 156 LYS HG3 . 18090 1 391 . 1 1 30 30 LYS HD2 H 1 1.92 0.02 . 2 . . . A 156 LYS HD2 . 18090 1 392 . 1 1 30 30 LYS HD3 H 1 2.03 0.02 . 2 . . . A 156 LYS HD3 . 18090 1 393 . 1 1 30 30 LYS HE2 H 1 2.72 0.02 . 2 . . . A 156 LYS HE2 . 18090 1 394 . 1 1 30 30 LYS HE3 H 1 2.82 0.02 . 2 . . . A 156 LYS HE3 . 18090 1 395 . 1 1 30 30 LYS C C 13 176.12 0.05 . 1 . . . A 156 LYS C . 18090 1 396 . 1 1 30 30 LYS CA C 13 57.09 0.05 . 1 . . . A 156 LYS CA . 18090 1 397 . 1 1 30 30 LYS CB C 13 31.96 0.05 . 1 . . . A 156 LYS CB . 18090 1 398 . 1 1 30 30 LYS CG C 13 25.88 0.05 . 1 . . . A 156 LYS CG . 18090 1 399 . 1 1 30 30 LYS CD C 13 29.50 0.05 . 1 . . . A 156 LYS CD . 18090 1 400 . 1 1 30 30 LYS CE C 13 42.17 0.05 . 1 . . . A 156 LYS CE . 18090 1 401 . 1 1 30 30 LYS N N 15 117.05 0.05 . 1 . . . A 156 LYS N . 18090 1 402 . 1 1 31 31 ASP H H 1 7.34 0.02 . 1 . . . A 157 ASP H . 18090 1 403 . 1 1 31 31 ASP HA H 1 4.86 0.02 . 1 . . . A 157 ASP HA . 18090 1 404 . 1 1 31 31 ASP HB2 H 1 3.14 0.02 . 1 . . . A 157 ASP HB2 . 18090 1 405 . 1 1 31 31 ASP HB3 H 1 2.61 0.02 . 1 . . . A 157 ASP HB3 . 18090 1 406 . 1 1 31 31 ASP C C 13 174.89 0.05 . 1 . . . A 157 ASP C . 18090 1 407 . 1 1 31 31 ASP CA C 13 50.52 0.05 . 1 . . . A 157 ASP CA . 18090 1 408 . 1 1 31 31 ASP CB C 13 41.01 0.05 . 1 . . . A 157 ASP CB . 18090 1 409 . 1 1 31 31 ASP N N 15 119.81 0.05 . 1 . . . A 157 ASP N . 18090 1 410 . 1 1 32 32 PRO HA H 1 4.13 0.02 . 1 . . . A 158 PRO HA . 18090 1 411 . 1 1 32 32 PRO HB2 H 1 2.22 0.02 . 1 . . . A 158 PRO HB2 . 18090 1 412 . 1 1 32 32 PRO HB3 H 1 1.84 0.02 . 1 . . . A 158 PRO HB3 . 18090 1 413 . 1 1 32 32 PRO HG2 H 1 1.93 0.02 . 1 . . . A 158 PRO HG2 . 18090 1 414 . 1 1 32 32 PRO HG3 H 1 1.93 0.02 . 1 . . . A 158 PRO HG3 . 18090 1 415 . 1 1 32 32 PRO HD2 H 1 4.24 0.02 . 2 . . . A 158 PRO HD2 . 18090 1 416 . 1 1 32 32 PRO HD3 H 1 3.93 0.02 . 2 . . . A 158 PRO HD3 . 18090 1 417 . 1 1 32 32 PRO CA C 13 64.27 0.05 . 1 . . . A 158 PRO CA . 18090 1 418 . 1 1 32 32 PRO CB C 13 31.77 0.05 . 1 . . . A 158 PRO CB . 18090 1 419 . 1 1 32 32 PRO CG C 13 27.24 0.05 . 1 . . . A 158 PRO CG . 18090 1 420 . 1 1 32 32 PRO CD C 13 51.04 0.05 . 1 . . . A 158 PRO CD . 18090 1 421 . 1 1 33 33 GLN H H 1 8.15 0.02 . 1 . . . A 159 GLN H . 18090 1 422 . 1 1 33 33 GLN HA H 1 4.00 0.02 . 1 . . . A 159 GLN HA . 18090 1 423 . 1 1 33 33 GLN HB2 H 1 1.95 0.02 . 1 . . . A 159 GLN HB2 . 18090 1 424 . 1 1 33 33 GLN HB3 H 1 2.12 0.02 . 1 . . . A 159 GLN HB3 . 18090 1 425 . 1 1 33 33 GLN HG2 H 1 2.33 0.02 . 1 . . . A 159 GLN HG2 . 18090 1 426 . 1 1 33 33 GLN HG3 H 1 2.18 0.02 . 1 . . . A 159 GLN HG3 . 18090 1 427 . 1 1 33 33 GLN HE21 H 1 7.41 0.02 . 1 . . . A 159 GLN HE21 . 18090 1 428 . 1 1 33 33 GLN HE22 H 1 6.73 0.02 . 1 . . . A 159 GLN HE22 . 18090 1 429 . 1 1 33 33 GLN C C 13 178.74 0.05 . 1 . . . A 159 GLN C . 18090 1 430 . 1 1 33 33 GLN CA C 13 58.22 0.05 . 1 . . . A 159 GLN CA . 18090 1 431 . 1 1 33 33 GLN CB C 13 27.87 0.05 . 1 . . . A 159 GLN CB . 18090 1 432 . 1 1 33 33 GLN CG C 13 34.64 0.05 . 1 . . . A 159 GLN CG . 18090 1 433 . 1 1 33 33 GLN N N 15 117.76 0.05 . 1 . . . A 159 GLN N . 18090 1 434 . 1 1 33 33 GLN NE2 N 15 111.95 0.05 . 1 . . . A 159 GLN NE2 . 18090 1 435 . 1 1 34 34 LEU H H 1 7.11 0.02 . 1 . . . A 160 LEU H . 18090 1 436 . 1 1 34 34 LEU HA H 1 3.97 0.02 . 1 . . . A 160 LEU HA . 18090 1 437 . 1 1 34 34 LEU HB2 H 1 1.96 0.02 . 1 . . . A 160 LEU HB2 . 18090 1 438 . 1 1 34 34 LEU HB3 H 1 1.29 0.02 . 1 . . . A 160 LEU HB3 . 18090 1 439 . 1 1 34 34 LEU HG H 1 1.26 0.02 . 1 . . . A 160 LEU HG . 18090 1 440 . 1 1 34 34 LEU HD11 H 1 0.67 0.02 . 1 . . . A 160 LEU HD11 . 18090 1 441 . 1 1 34 34 LEU HD12 H 1 0.67 0.02 . 1 . . . A 160 LEU HD12 . 18090 1 442 . 1 1 34 34 LEU HD13 H 1 0.67 0.02 . 1 . . . A 160 LEU HD13 . 18090 1 443 . 1 1 34 34 LEU HD21 H 1 0.67 0.02 . 1 . . . A 160 LEU HD21 . 18090 1 444 . 1 1 34 34 LEU HD22 H 1 0.67 0.02 . 1 . . . A 160 LEU HD22 . 18090 1 445 . 1 1 34 34 LEU HD23 H 1 0.67 0.02 . 1 . . . A 160 LEU HD23 . 18090 1 446 . 1 1 34 34 LEU C C 13 177.98 0.05 . 1 . . . A 160 LEU C . 18090 1 447 . 1 1 34 34 LEU CA C 13 57.05 0.05 . 1 . . . A 160 LEU CA . 18090 1 448 . 1 1 34 34 LEU CB C 13 40.76 0.05 . 1 . . . A 160 LEU CB . 18090 1 449 . 1 1 34 34 LEU CG C 13 26.64 0.05 . 1 . . . A 160 LEU CG . 18090 1 450 . 1 1 34 34 LEU CD1 C 13 22.26 0.05 . 1 . . . A 160 LEU CD1 . 18090 1 451 . 1 1 34 34 LEU CD2 C 13 26.08 0.05 . 1 . . . A 160 LEU CD2 . 18090 1 452 . 1 1 34 34 LEU N N 15 123.30 0.05 . 1 . . . A 160 LEU N . 18090 1 453 . 1 1 35 35 VAL H H 1 7.43 0.02 . 1 . . . A 161 VAL H . 18090 1 454 . 1 1 35 35 VAL HA H 1 3.11 0.02 . 1 . . . A 161 VAL HA . 18090 1 455 . 1 1 35 35 VAL HB H 1 1.84 0.02 . 1 . . . A 161 VAL HB . 18090 1 456 . 1 1 35 35 VAL HG11 H 1 0.78 0.02 . 1 . . . A 161 VAL HG11 . 18090 1 457 . 1 1 35 35 VAL HG12 H 1 0.78 0.02 . 1 . . . A 161 VAL HG12 . 18090 1 458 . 1 1 35 35 VAL HG13 H 1 0.78 0.02 . 1 . . . A 161 VAL HG13 . 18090 1 459 . 1 1 35 35 VAL HG21 H 1 0.94 0.02 . 1 . . . A 161 VAL HG21 . 18090 1 460 . 1 1 35 35 VAL HG22 H 1 0.94 0.02 . 1 . . . A 161 VAL HG22 . 18090 1 461 . 1 1 35 35 VAL HG23 H 1 0.94 0.02 . 1 . . . A 161 VAL HG23 . 18090 1 462 . 1 1 35 35 VAL C C 13 176.84 0.05 . 1 . . . A 161 VAL C . 18090 1 463 . 1 1 35 35 VAL CA C 13 67.70 0.05 . 1 . . . A 161 VAL CA . 18090 1 464 . 1 1 35 35 VAL CB C 13 31.26 0.05 . 1 . . . A 161 VAL CB . 18090 1 465 . 1 1 35 35 VAL CG1 C 13 21.56 0.05 . 1 . . . A 161 VAL CG1 . 18090 1 466 . 1 1 35 35 VAL CG2 C 13 23.31 0.05 . 1 . . . A 161 VAL CG2 . 18090 1 467 . 1 1 35 35 VAL N N 15 118.39 0.05 . 1 . . . A 161 VAL N . 18090 1 468 . 1 1 36 36 ALA H H 1 7.50 0.02 . 1 . . . A 162 ALA H . 18090 1 469 . 1 1 36 36 ALA HA H 1 3.81 0.02 . 1 . . . A 162 ALA HA . 18090 1 470 . 1 1 36 36 ALA HB1 H 1 1.24 0.02 . 1 . . . A 162 ALA HB1 . 18090 1 471 . 1 1 36 36 ALA HB2 H 1 1.24 0.02 . 1 . . . A 162 ALA HB2 . 18090 1 472 . 1 1 36 36 ALA HB3 H 1 1.24 0.02 . 1 . . . A 162 ALA HB3 . 18090 1 473 . 1 1 36 36 ALA C C 13 180.62 0.05 . 1 . . . A 162 ALA C . 18090 1 474 . 1 1 36 36 ALA CA C 13 54.72 0.05 . 1 . . . A 162 ALA CA . 18090 1 475 . 1 1 36 36 ALA CB C 13 17.49 0.05 . 1 . . . A 162 ALA CB . 18090 1 476 . 1 1 36 36 ALA N N 15 117.60 0.05 . 1 . . . A 162 ALA N . 18090 1 477 . 1 1 37 37 LYS H H 1 7.35 0.02 . 1 . . . A 163 LYS H . 18090 1 478 . 1 1 37 37 LYS HA H 1 3.57 0.02 . 1 . . . A 163 LYS HA . 18090 1 479 . 1 1 37 37 LYS HB2 H 1 1.63 0.02 . 1 . . . A 163 LYS HB2 . 18090 1 480 . 1 1 37 37 LYS HB3 H 1 1.68 0.02 . 1 . . . A 163 LYS HB3 . 18090 1 481 . 1 1 37 37 LYS HG2 H 1 1.09 0.02 . 1 . . . A 163 LYS HG2 . 18090 1 482 . 1 1 37 37 LYS HG3 H 1 1.25 0.02 . 1 . . . A 163 LYS HG3 . 18090 1 483 . 1 1 37 37 LYS HD2 H 1 1.48 0.02 . 1 . . . A 163 LYS HD2 . 18090 1 484 . 1 1 37 37 LYS HD3 H 1 1.48 0.02 . 1 . . . A 163 LYS HD3 . 18090 1 485 . 1 1 37 37 LYS HE2 H 1 2.69 0.02 . 2 . . . A 163 LYS HE2 . 18090 1 486 . 1 1 37 37 LYS HE3 H 1 2.72 0.02 . 2 . . . A 163 LYS HE3 . 18090 1 487 . 1 1 37 37 LYS C C 13 177.80 0.05 . 1 . . . A 163 LYS C . 18090 1 488 . 1 1 37 37 LYS CA C 13 58.88 0.05 . 1 . . . A 163 LYS CA . 18090 1 489 . 1 1 37 37 LYS CB C 13 31.61 0.05 . 1 . . . A 163 LYS CB . 18090 1 490 . 1 1 37 37 LYS CG C 13 24.52 0.05 . 1 . . . A 163 LYS CG . 18090 1 491 . 1 1 37 37 LYS CD C 13 29.78 0.05 . 1 . . . A 163 LYS CD . 18090 1 492 . 1 1 37 37 LYS CE C 13 41.35 0.05 . 1 . . . A 163 LYS CE . 18090 1 493 . 1 1 37 37 LYS N N 15 119.88 0.05 . 1 . . . A 163 LYS N . 18090 1 494 . 1 1 38 38 LEU H H 1 7.66 0.02 . 1 . . . A 164 LEU H . 18090 1 495 . 1 1 38 38 LEU HA H 1 3.67 0.02 . 1 . . . A 164 LEU HA . 18090 1 496 . 1 1 38 38 LEU HB2 H 1 1.16 0.02 . 1 . . . A 164 LEU HB2 . 18090 1 497 . 1 1 38 38 LEU HB3 H 1 1.84 0.02 . 1 . . . A 164 LEU HB3 . 18090 1 498 . 1 1 38 38 LEU HG H 1 1.68 0.02 . 1 . . . A 164 LEU HG . 18090 1 499 . 1 1 38 38 LEU HD11 H 1 0.68 0.02 . 1 . . . A 164 LEU HD11 . 18090 1 500 . 1 1 38 38 LEU HD12 H 1 0.68 0.02 . 1 . . . A 164 LEU HD12 . 18090 1 501 . 1 1 38 38 LEU HD13 H 1 0.68 0.02 . 1 . . . A 164 LEU HD13 . 18090 1 502 . 1 1 38 38 LEU HD21 H 1 0.79 0.02 . 1 . . . A 164 LEU HD21 . 18090 1 503 . 1 1 38 38 LEU HD22 H 1 0.79 0.02 . 1 . . . A 164 LEU HD22 . 18090 1 504 . 1 1 38 38 LEU HD23 H 1 0.79 0.02 . 1 . . . A 164 LEU HD23 . 18090 1 505 . 1 1 38 38 LEU C C 13 179.38 0.05 . 1 . . . A 164 LEU C . 18090 1 506 . 1 1 38 38 LEU CA C 13 57.34 0.05 . 1 . . . A 164 LEU CA . 18090 1 507 . 1 1 38 38 LEU CB C 13 41.66 0.05 . 1 . . . A 164 LEU CB . 18090 1 508 . 1 1 38 38 LEU CG C 13 26.90 0.05 . 1 . . . A 164 LEU CG . 18090 1 509 . 1 1 38 38 LEU CD1 C 13 26.90 0.05 . 1 . . . A 164 LEU CD1 . 18090 1 510 . 1 1 38 38 LEU CD2 C 13 23.38 0.05 . 1 . . . A 164 LEU CD2 . 18090 1 511 . 1 1 38 38 LEU N N 15 118.02 0.05 . 1 . . . A 164 LEU N . 18090 1 512 . 1 1 39 39 ILE H H 1 8.03 0.02 . 1 . . . A 165 ILE H . 18090 1 513 . 1 1 39 39 ILE HA H 1 3.51 0.02 . 1 . . . A 165 ILE HA . 18090 1 514 . 1 1 39 39 ILE HB H 1 1.69 0.02 . 1 . . . A 165 ILE HB . 18090 1 515 . 1 1 39 39 ILE HG12 H 1 1.52 0.02 . 2 . . . A 165 ILE HG12 . 18090 1 516 . 1 1 39 39 ILE HG13 H 1 1.03 0.02 . 2 . . . A 165 ILE HG13 . 18090 1 517 . 1 1 39 39 ILE HG21 H 1 0.74 0.02 . 1 . . . A 165 ILE HG21 . 18090 1 518 . 1 1 39 39 ILE HG22 H 1 0.74 0.02 . 1 . . . A 165 ILE HG22 . 18090 1 519 . 1 1 39 39 ILE HG23 H 1 0.74 0.02 . 1 . . . A 165 ILE HG23 . 18090 1 520 . 1 1 39 39 ILE HD11 H 1 0.66 0.02 . 1 . . . A 165 ILE HD11 . 18090 1 521 . 1 1 39 39 ILE HD12 H 1 0.66 0.02 . 1 . . . A 165 ILE HD12 . 18090 1 522 . 1 1 39 39 ILE HD13 H 1 0.66 0.02 . 1 . . . A 165 ILE HD13 . 18090 1 523 . 1 1 39 39 ILE C C 13 179.57 0.05 . 1 . . . A 165 ILE C . 18090 1 524 . 1 1 39 39 ILE CA C 13 64.45 0.05 . 1 . . . A 165 ILE CA . 18090 1 525 . 1 1 39 39 ILE CB C 13 37.31 0.05 . 1 . . . A 165 ILE CB . 18090 1 526 . 1 1 39 39 ILE CG1 C 13 29.00 0.05 . 1 . . . A 165 ILE CG1 . 18090 1 527 . 1 1 39 39 ILE CG2 C 13 17.27 0.05 . 1 . . . A 165 ILE CG2 . 18090 1 528 . 1 1 39 39 ILE CD1 C 13 13.25 0.05 . 1 . . . A 165 ILE CD1 . 18090 1 529 . 1 1 39 39 ILE N N 15 118.07 0.05 . 1 . . . A 165 ILE N . 18090 1 530 . 1 1 40 40 GLY H H 1 7.59 0.02 . 1 . . . A 166 GLY H . 18090 1 531 . 1 1 40 40 GLY HA2 H 1 3.63 0.02 . 2 . . . A 166 GLY HA2 . 18090 1 532 . 1 1 40 40 GLY HA3 H 1 3.73 0.02 . 2 . . . A 166 GLY HA3 . 18090 1 533 . 1 1 40 40 GLY C C 13 176.47 0.05 . 1 . . . A 166 GLY C . 18090 1 534 . 1 1 40 40 GLY CA C 13 46.41 0.05 . 1 . . . A 166 GLY CA . 18090 1 535 . 1 1 40 40 GLY N N 15 107.97 0.05 . 1 . . . A 166 GLY N . 18090 1 536 . 1 1 41 41 TYR H H 1 7.35 0.02 . 1 . . . A 167 TYR H . 18090 1 537 . 1 1 41 41 TYR HA H 1 4.19 0.02 . 1 . . . A 167 TYR HA . 18090 1 538 . 1 1 41 41 TYR HB2 H 1 2.41 0.02 . 1 . . . A 167 TYR HB2 . 18090 1 539 . 1 1 41 41 TYR HB3 H 1 2.52 0.02 . 1 . . . A 167 TYR HB3 . 18090 1 540 . 1 1 41 41 TYR HD1 H 1 6.54 0.02 . 1 . . . A 167 TYR HD1 . 18090 1 541 . 1 1 41 41 TYR HD2 H 1 6.54 0.02 . 1 . . . A 167 TYR HD2 . 18090 1 542 . 1 1 41 41 TYR HE1 H 1 6.27 0.02 . 1 . . . A 167 TYR HE1 . 18090 1 543 . 1 1 41 41 TYR HE2 H 1 6.27 0.02 . 1 . . . A 167 TYR HE2 . 18090 1 544 . 1 1 41 41 TYR C C 13 176.47 0.05 . 1 . . . A 167 TYR C . 18090 1 545 . 1 1 41 41 TYR CA C 13 57.13 0.05 . 1 . . . A 167 TYR CA . 18090 1 546 . 1 1 41 41 TYR CB C 13 35.95 0.05 . 1 . . . A 167 TYR CB . 18090 1 547 . 1 1 41 41 TYR CD1 C 13 131.27 0.05 . 1 . . . A 167 TYR CD1 . 18090 1 548 . 1 1 41 41 TYR CD2 C 13 131.27 0.05 . 1 . . . A 167 TYR CD2 . 18090 1 549 . 1 1 41 41 TYR CE1 C 13 116.94 0.05 . 1 . . . A 167 TYR CE1 . 18090 1 550 . 1 1 41 41 TYR CE2 C 13 116.94 0.05 . 1 . . . A 167 TYR CE2 . 18090 1 551 . 1 1 41 41 TYR N N 15 121.27 0.05 . 1 . . . A 167 TYR N . 18090 1 552 . 1 1 42 42 LYS H H 1 7.46 0.02 . 1 . . . A 168 LYS H . 18090 1 553 . 1 1 42 42 LYS HA H 1 3.82 0.02 . 1 . . . A 168 LYS HA . 18090 1 554 . 1 1 42 42 LYS HB2 H 1 1.80 0.02 . 1 . . . A 168 LYS HB2 . 18090 1 555 . 1 1 42 42 LYS HB3 H 1 1.86 0.02 . 1 . . . A 168 LYS HB3 . 18090 1 556 . 1 1 42 42 LYS HG2 H 1 1.40 0.02 . 2 . . . A 168 LYS HG2 . 18090 1 557 . 1 1 42 42 LYS HG3 H 1 1.52 0.02 . 2 . . . A 168 LYS HG3 . 18090 1 558 . 1 1 42 42 LYS HD2 H 1 1.60 0.02 . 2 . . . A 168 LYS HD2 . 18090 1 559 . 1 1 42 42 LYS HD3 H 1 1.69 0.02 . 2 . . . A 168 LYS HD3 . 18090 1 560 . 1 1 42 42 LYS HE2 H 1 2.89 0.02 . 2 . . . A 168 LYS HE2 . 18090 1 561 . 1 1 42 42 LYS HE3 H 1 2.96 0.02 . 2 . . . A 168 LYS HE3 . 18090 1 562 . 1 1 42 42 LYS C C 13 177.81 0.05 . 1 . . . A 168 LYS C . 18090 1 563 . 1 1 42 42 LYS CA C 13 59.39 0.05 . 1 . . . A 168 LYS CA . 18090 1 564 . 1 1 42 42 LYS CB C 13 31.58 0.05 . 1 . . . A 168 LYS CB . 18090 1 565 . 1 1 42 42 LYS CG C 13 25.05 0.05 . 1 . . . A 168 LYS CG . 18090 1 566 . 1 1 42 42 LYS CD C 13 29.50 0.05 . 1 . . . A 168 LYS CD . 18090 1 567 . 1 1 42 42 LYS CE C 13 41.97 0.05 . 1 . . . A 168 LYS CE . 18090 1 568 . 1 1 42 42 LYS N N 15 116.52 0.05 . 1 . . . A 168 LYS N . 18090 1 569 . 1 1 43 43 GLN H H 1 7.22 0.02 . 1 . . . A 169 GLN H . 18090 1 570 . 1 1 43 43 GLN HA H 1 4.22 0.02 . 1 . . . A 169 GLN HA . 18090 1 571 . 1 1 43 43 GLN HB2 H 1 2.00 0.02 . 1 . . . A 169 GLN HB2 . 18090 1 572 . 1 1 43 43 GLN HB3 H 1 1.92 0.02 . 1 . . . A 169 GLN HB3 . 18090 1 573 . 1 1 43 43 GLN HG2 H 1 2.27 0.02 . 1 . . . A 169 GLN HG2 . 18090 1 574 . 1 1 43 43 GLN HG3 H 1 2.27 0.02 . 1 . . . A 169 GLN HG3 . 18090 1 575 . 1 1 43 43 GLN HE21 H 1 6.74 0.02 . 1 . . . A 169 GLN HE21 . 18090 1 576 . 1 1 43 43 GLN HE22 H 1 7.51 0.02 . 1 . . . A 169 GLN HE22 . 18090 1 577 . 1 1 43 43 GLN C C 13 175.84 0.05 . 1 . . . A 169 GLN C . 18090 1 578 . 1 1 43 43 GLN CA C 13 56.23 0.05 . 1 . . . A 169 GLN CA . 18090 1 579 . 1 1 43 43 GLN CB C 13 29.29 0.05 . 1 . . . A 169 GLN CB . 18090 1 580 . 1 1 43 43 GLN CG C 13 33.97 0.05 . 1 . . . A 169 GLN CG . 18090 1 581 . 1 1 43 43 GLN N N 15 113.75 0.05 . 1 . . . A 169 GLN N . 18090 1 582 . 1 1 43 43 GLN NE2 N 15 111.77 0.05 . 1 . . . A 169 GLN NE2 . 18090 1 583 . 1 1 44 44 ASN H H 1 7.58 0.02 . 1 . . . A 170 ASN H . 18090 1 584 . 1 1 44 44 ASN HA H 1 5.05 0.02 . 1 . . . A 170 ASN HA . 18090 1 585 . 1 1 44 44 ASN HB2 H 1 2.72 0.02 . 1 . . . A 170 ASN HB2 . 18090 1 586 . 1 1 44 44 ASN HB3 H 1 2.52 0.02 . 1 . . . A 170 ASN HB3 . 18090 1 587 . 1 1 44 44 ASN HD21 H 1 6.78 0.02 . 1 . . . A 170 ASN HD21 . 18090 1 588 . 1 1 44 44 ASN HD22 H 1 7.53 0.02 . 1 . . . A 170 ASN HD22 . 18090 1 589 . 1 1 44 44 ASN C C 13 172.20 0.05 . 1 . . . A 170 ASN C . 18090 1 590 . 1 1 44 44 ASN CA C 13 50.78 0.05 . 1 . . . A 170 ASN CA . 18090 1 591 . 1 1 44 44 ASN CB C 13 38.38 0.05 . 1 . . . A 170 ASN CB . 18090 1 592 . 1 1 44 44 ASN N N 15 114.13 0.05 . 1 . . . A 170 ASN N . 18090 1 593 . 1 1 44 44 ASN ND2 N 15 112.31 0.05 . 1 . . . A 170 ASN ND2 . 18090 1 594 . 1 1 45 45 PRO HA H 1 4.13 0.02 . 1 . . . A 171 PRO HA . 18090 1 595 . 1 1 45 45 PRO HB2 H 1 2.14 0.02 . 2 . . . A 171 PRO HB2 . 18090 1 596 . 1 1 45 45 PRO HB3 H 1 1.69 0.02 . 2 . . . A 171 PRO HB3 . 18090 1 597 . 1 1 45 45 PRO HG2 H 1 1.94 0.02 . 2 . . . A 171 PRO HG2 . 18090 1 598 . 1 1 45 45 PRO HG3 H 1 1.79 0.02 . 2 . . . A 171 PRO HG3 . 18090 1 599 . 1 1 45 45 PRO HD2 H 1 3.64 0.02 . 2 . . . A 171 PRO HD2 . 18090 1 600 . 1 1 45 45 PRO HD3 H 1 3.27 0.02 . 2 . . . A 171 PRO HD3 . 18090 1 601 . 1 1 45 45 PRO CA C 13 64.80 0.05 . 1 . . . A 171 PRO CA . 18090 1 602 . 1 1 45 45 PRO CB C 13 31.36 0.05 . 1 . . . A 171 PRO CB . 18090 1 603 . 1 1 45 45 PRO CG C 13 27.16 0.05 . 1 . . . A 171 PRO CG . 18090 1 604 . 1 1 45 45 PRO CD C 13 50.18 0.05 . 1 . . . A 171 PRO CD . 18090 1 605 . 1 1 46 46 GLN H H 1 8.16 0.02 . 1 . . . A 172 GLN H . 18090 1 606 . 1 1 46 46 GLN HA H 1 3.77 0.02 . 1 . . . A 172 GLN HA . 18090 1 607 . 1 1 46 46 GLN HB2 H 1 1.91 0.02 . 1 . . . A 172 GLN HB2 . 18090 1 608 . 1 1 46 46 GLN HB3 H 1 1.93 0.02 . 1 . . . A 172 GLN HB3 . 18090 1 609 . 1 1 46 46 GLN HG2 H 1 2.28 0.02 . 1 . . . A 172 GLN HG2 . 18090 1 610 . 1 1 46 46 GLN HG3 H 1 2.21 0.02 . 1 . . . A 172 GLN HG3 . 18090 1 611 . 1 1 46 46 GLN HE21 H 1 6.81 0.02 . 1 . . . A 172 GLN HE21 . 18090 1 612 . 1 1 46 46 GLN HE22 H 1 7.42 0.02 . 1 . . . A 172 GLN HE22 . 18090 1 613 . 1 1 46 46 GLN C C 13 177.36 0.05 . 1 . . . A 172 GLN C . 18090 1 614 . 1 1 46 46 GLN CA C 13 57.95 0.05 . 1 . . . A 172 GLN CA . 18090 1 615 . 1 1 46 46 GLN CB C 13 27.05 0.05 . 1 . . . A 172 GLN CB . 18090 1 616 . 1 1 46 46 GLN CG C 13 33.90 0.05 . 1 . . . A 172 GLN CG . 18090 1 617 . 1 1 46 46 GLN N N 15 115.57 0.05 . 1 . . . A 172 GLN N . 18090 1 618 . 1 1 46 46 GLN NE2 N 15 111.77 0.05 . 1 . . . A 172 GLN NE2 . 18090 1 619 . 1 1 47 47 ALA H H 1 7.47 0.02 . 1 . . . A 173 ALA H . 18090 1 620 . 1 1 47 47 ALA HA H 1 4.05 0.02 . 1 . . . A 173 ALA HA . 18090 1 621 . 1 1 47 47 ALA HB1 H 1 1.44 0.02 . 1 . . . A 173 ALA HB1 . 18090 1 622 . 1 1 47 47 ALA HB2 H 1 1.44 0.02 . 1 . . . A 173 ALA HB2 . 18090 1 623 . 1 1 47 47 ALA HB3 H 1 1.44 0.02 . 1 . . . A 173 ALA HB3 . 18090 1 624 . 1 1 47 47 ALA C C 13 178.09 0.05 . 1 . . . A 173 ALA C . 18090 1 625 . 1 1 47 47 ALA CA C 13 53.49 0.05 . 1 . . . A 173 ALA CA . 18090 1 626 . 1 1 47 47 ALA CB C 13 18.45 0.05 . 1 . . . A 173 ALA CB . 18090 1 627 . 1 1 47 47 ALA N N 15 121.42 0.05 . 1 . . . A 173 ALA N . 18090 1 628 . 1 1 48 48 ILE H H 1 7.15 0.02 . 1 . . . A 174 ILE H . 18090 1 629 . 1 1 48 48 ILE HA H 1 3.18 0.02 . 1 . . . A 174 ILE HA . 18090 1 630 . 1 1 48 48 ILE HB H 1 0.90 0.02 . 1 . . . A 174 ILE HB . 18090 1 631 . 1 1 48 48 ILE HG12 H 1 0.23 0.02 . 1 . . . A 174 ILE HG12 . 18090 1 632 . 1 1 48 48 ILE HG13 H 1 0.89 0.02 . 1 . . . A 174 ILE HG13 . 18090 1 633 . 1 1 48 48 ILE HG21 H 1 0.46 0.02 . 1 . . . A 174 ILE HG21 . 18090 1 634 . 1 1 48 48 ILE HG22 H 1 0.46 0.02 . 1 . . . A 174 ILE HG22 . 18090 1 635 . 1 1 48 48 ILE HG23 H 1 0.46 0.02 . 1 . . . A 174 ILE HG23 . 18090 1 636 . 1 1 48 48 ILE HD11 H 1 0.41 0.02 . 1 . . . A 174 ILE HD11 . 18090 1 637 . 1 1 48 48 ILE HD12 H 1 0.41 0.02 . 1 . . . A 174 ILE HD12 . 18090 1 638 . 1 1 48 48 ILE HD13 H 1 0.41 0.02 . 1 . . . A 174 ILE HD13 . 18090 1 639 . 1 1 48 48 ILE C C 13 176.25 0.05 . 1 . . . A 174 ILE C . 18090 1 640 . 1 1 48 48 ILE CA C 13 64.03 0.05 . 1 . . . A 174 ILE CA . 18090 1 641 . 1 1 48 48 ILE CB C 13 37.28 0.05 . 1 . . . A 174 ILE CB . 18090 1 642 . 1 1 48 48 ILE CG1 C 13 28.96 0.05 . 1 . . . A 174 ILE CG1 . 18090 1 643 . 1 1 48 48 ILE CG2 C 13 17.38 0.05 . 1 . . . A 174 ILE CG2 . 18090 1 644 . 1 1 48 48 ILE CD1 C 13 14.78 0.05 . 1 . . . A 174 ILE CD1 . 18090 1 645 . 1 1 48 48 ILE N N 15 118.05 0.05 . 1 . . . A 174 ILE N . 18090 1 646 . 1 1 49 49 GLY H H 1 7.55 0.02 . 1 . . . A 175 GLY H . 18090 1 647 . 1 1 49 49 GLY HA2 H 1 3.72 0.02 . 1 . . . A 175 GLY HA2 . 18090 1 648 . 1 1 49 49 GLY HA3 H 1 3.47 0.02 . 1 . . . A 175 GLY HA3 . 18090 1 649 . 1 1 49 49 GLY C C 13 174.22 0.05 . 1 . . . A 175 GLY C . 18090 1 650 . 1 1 49 49 GLY CA C 13 46.70 0.05 . 1 . . . A 175 GLY CA . 18090 1 651 . 1 1 49 49 GLY N N 15 105.39 0.05 . 1 . . . A 175 GLY N . 18090 1 652 . 1 1 50 50 GLN H H 1 7.39 0.02 . 1 . . . A 176 GLN H . 18090 1 653 . 1 1 50 50 GLN HA H 1 4.21 0.02 . 1 . . . A 176 GLN HA . 18090 1 654 . 1 1 50 50 GLN HB2 H 1 1.99 0.02 . 1 . . . A 176 GLN HB2 . 18090 1 655 . 1 1 50 50 GLN HB3 H 1 1.99 0.02 . 1 . . . A 176 GLN HB3 . 18090 1 656 . 1 1 50 50 GLN HG2 H 1 2.27 0.02 . 1 . . . A 176 GLN HG2 . 18090 1 657 . 1 1 50 50 GLN HG3 H 1 2.27 0.02 . 1 . . . A 176 GLN HG3 . 18090 1 658 . 1 1 50 50 GLN HE21 H 1 6.71 0.02 . 1 . . . A 176 GLN HE21 . 18090 1 659 . 1 1 50 50 GLN HE22 H 1 7.50 0.02 . 1 . . . A 176 GLN HE22 . 18090 1 660 . 1 1 50 50 GLN C C 13 178.12 0.05 . 1 . . . A 176 GLN C . 18090 1 661 . 1 1 50 50 GLN CA C 13 57.32 0.05 . 1 . . . A 176 GLN CA . 18090 1 662 . 1 1 50 50 GLN CB C 13 28.63 0.05 . 1 . . . A 176 GLN CB . 18090 1 663 . 1 1 50 50 GLN CG C 13 33.95 0.05 . 1 . . . A 176 GLN CG . 18090 1 664 . 1 1 50 50 GLN N N 15 116.23 0.05 . 1 . . . A 176 GLN N . 18090 1 665 . 1 1 50 50 GLN NE2 N 15 112.04 0.05 . 1 . . . A 176 GLN NE2 . 18090 1 666 . 1 1 51 51 ASP H H 1 7.87 0.02 . 1 . . . A 177 ASP H . 18090 1 667 . 1 1 51 51 ASP HA H 1 4.42 0.02 . 1 . . . A 177 ASP HA . 18090 1 668 . 1 1 51 51 ASP HB2 H 1 2.51 0.02 . 1 . . . A 177 ASP HB2 . 18090 1 669 . 1 1 51 51 ASP HB3 H 1 2.59 0.02 . 1 . . . A 177 ASP HB3 . 18090 1 670 . 1 1 51 51 ASP C C 13 177.95 0.05 . 1 . . . A 177 ASP C . 18090 1 671 . 1 1 51 51 ASP CA C 13 55.84 0.05 . 1 . . . A 177 ASP CA . 18090 1 672 . 1 1 51 51 ASP CB C 13 40.31 0.05 . 1 . . . A 177 ASP CB . 18090 1 673 . 1 1 51 51 ASP N N 15 120.00 0.05 . 1 . . . A 177 ASP N . 18090 1 674 . 1 1 52 52 LEU H H 1 7.86 0.02 . 1 . . . A 178 LEU H . 18090 1 675 . 1 1 52 52 LEU HA H 1 3.65 0.02 . 1 . . . A 178 LEU HA . 18090 1 676 . 1 1 52 52 LEU HB2 H 1 0.94 0.02 . 1 . . . A 178 LEU HB2 . 18090 1 677 . 1 1 52 52 LEU HB3 H 1 1.26 0.02 . 1 . . . A 178 LEU HB3 . 18090 1 678 . 1 1 52 52 LEU HG H 1 1.26 0.02 . 1 . . . A 178 LEU HG . 18090 1 679 . 1 1 52 52 LEU HD11 H 1 0.40 0.02 . 1 . . . A 178 LEU HD11 . 18090 1 680 . 1 1 52 52 LEU HD12 H 1 0.40 0.02 . 1 . . . A 178 LEU HD12 . 18090 1 681 . 1 1 52 52 LEU HD13 H 1 0.40 0.02 . 1 . . . A 178 LEU HD13 . 18090 1 682 . 1 1 52 52 LEU HD21 H 1 0.44 0.02 . 1 . . . A 178 LEU HD21 . 18090 1 683 . 1 1 52 52 LEU HD22 H 1 0.44 0.02 . 1 . . . A 178 LEU HD22 . 18090 1 684 . 1 1 52 52 LEU HD23 H 1 0.44 0.02 . 1 . . . A 178 LEU HD23 . 18090 1 685 . 1 1 52 52 LEU C C 13 175.81 0.05 . 1 . . . A 178 LEU C . 18090 1 686 . 1 1 52 52 LEU CA C 13 57.62 0.05 . 1 . . . A 178 LEU CA . 18090 1 687 . 1 1 52 52 LEU CB C 13 41.88 0.05 . 1 . . . A 178 LEU CB . 18090 1 688 . 1 1 52 52 LEU CG C 13 26.21 0.05 . 1 . . . A 178 LEU CG . 18090 1 689 . 1 1 52 52 LEU CD1 C 13 25.00 0.05 . 1 . . . A 178 LEU CD1 . 18090 1 690 . 1 1 52 52 LEU CD2 C 13 24.70 0.05 . 1 . . . A 178 LEU CD2 . 18090 1 691 . 1 1 52 52 LEU N N 15 120.01 0.05 . 1 . . . A 178 LEU N . 18090 1 692 . 1 1 53 53 PHE H H 1 7.21 0.02 . 1 . . . A 179 PHE H . 18090 1 693 . 1 1 53 53 PHE HA H 1 4.23 0.02 . 1 . . . A 179 PHE HA . 18090 1 694 . 1 1 53 53 PHE HB2 H 1 3.16 0.02 . 1 . . . A 179 PHE HB2 . 18090 1 695 . 1 1 53 53 PHE HB3 H 1 2.79 0.02 . 1 . . . A 179 PHE HB3 . 18090 1 696 . 1 1 53 53 PHE HD1 H 1 7.20 0.02 . 1 . . . A 179 PHE HD1 . 18090 1 697 . 1 1 53 53 PHE HD2 H 1 7.20 0.02 . 1 . . . A 179 PHE HD2 . 18090 1 698 . 1 1 53 53 PHE HE1 H 1 7.08 0.02 . 1 . . . A 179 PHE HE1 . 18090 1 699 . 1 1 53 53 PHE HE2 H 1 7.08 0.02 . 1 . . . A 179 PHE HE2 . 18090 1 700 . 1 1 53 53 PHE HZ H 1 6.85 0.02 . 1 . . . A 179 PHE HZ . 18090 1 701 . 1 1 53 53 PHE C C 13 176.37 0.05 . 1 . . . A 179 PHE C . 18090 1 702 . 1 1 53 53 PHE CA C 13 58.73 0.05 . 1 . . . A 179 PHE CA . 18090 1 703 . 1 1 53 53 PHE CB C 13 38.72 0.05 . 1 . . . A 179 PHE CB . 18090 1 704 . 1 1 53 53 PHE CD1 C 13 131.76 0.05 . 1 . . . A 179 PHE CD1 . 18090 1 705 . 1 1 53 53 PHE CD2 C 13 131.76 0.05 . 1 . . . A 179 PHE CD2 . 18090 1 706 . 1 1 53 53 PHE CE1 C 13 131.08 0.05 . 1 . . . A 179 PHE CE1 . 18090 1 707 . 1 1 53 53 PHE CE2 C 13 131.08 0.05 . 1 . . . A 179 PHE CE2 . 18090 1 708 . 1 1 53 53 PHE CZ C 13 128.72 0.05 . 1 . . . A 179 PHE CZ . 18090 1 709 . 1 1 53 53 PHE N N 15 110.58 0.05 . 1 . . . A 179 PHE N . 18090 1 710 . 1 1 54 54 THR H H 1 7.55 0.02 . 1 . . . A 180 THR H . 18090 1 711 . 1 1 54 54 THR HA H 1 4.30 0.02 . 1 . . . A 180 THR HA . 18090 1 712 . 1 1 54 54 THR HB H 1 4.25 0.02 . 1 . . . A 180 THR HB . 18090 1 713 . 1 1 54 54 THR HG21 H 1 1.11 0.02 . 1 . . . A 180 THR HG21 . 18090 1 714 . 1 1 54 54 THR HG22 H 1 1.11 0.02 . 1 . . . A 180 THR HG22 . 18090 1 715 . 1 1 54 54 THR HG23 H 1 1.11 0.02 . 1 . . . A 180 THR HG23 . 18090 1 716 . 1 1 54 54 THR C C 13 174.40 0.05 . 1 . . . A 180 THR C . 18090 1 717 . 1 1 54 54 THR CA C 13 62.02 0.05 . 1 . . . A 180 THR CA . 18090 1 718 . 1 1 54 54 THR CB C 13 69.73 0.05 . 1 . . . A 180 THR CB . 18090 1 719 . 1 1 54 54 THR CG2 C 13 22.00 0.05 . 1 . . . A 180 THR CG2 . 18090 1 720 . 1 1 54 54 THR N N 15 108.19 0.05 . 1 . . . A 180 THR N . 18090 1 721 . 1 1 55 55 ASP H H 1 7.48 0.02 . 1 . . . A 181 ASP H . 18090 1 722 . 1 1 55 55 ASP HA H 1 5.02 0.02 . 1 . . . A 181 ASP HA . 18090 1 723 . 1 1 55 55 ASP HB2 H 1 2.85 0.02 . 1 . . . A 181 ASP HB2 . 18090 1 724 . 1 1 55 55 ASP HB3 H 1 2.37 0.02 . 1 . . . A 181 ASP HB3 . 18090 1 725 . 1 1 55 55 ASP C C 13 174.12 0.05 . 1 . . . A 181 ASP C . 18090 1 726 . 1 1 55 55 ASP CA C 13 50.56 0.05 . 1 . . . A 181 ASP CA . 18090 1 727 . 1 1 55 55 ASP CB C 13 41.19 0.05 . 1 . . . A 181 ASP CB . 18090 1 728 . 1 1 55 55 ASP N N 15 120.06 0.05 . 1 . . . A 181 ASP N . 18090 1 729 . 1 1 56 56 PRO HA H 1 4.32 0.02 . 1 . . . A 182 PRO HA . 18090 1 730 . 1 1 56 56 PRO HB2 H 1 2.25 0.02 . 2 . . . A 182 PRO HB2 . 18090 1 731 . 1 1 56 56 PRO HB3 H 1 1.84 0.02 . 2 . . . A 182 PRO HB3 . 18090 1 732 . 1 1 56 56 PRO HG2 H 1 1.90 0.02 . 2 . . . A 182 PRO HG2 . 18090 1 733 . 1 1 56 56 PRO HG3 H 1 1.94 0.02 . 2 . . . A 182 PRO HG3 . 18090 1 734 . 1 1 56 56 PRO HD2 H 1 3.85 0.02 . 2 . . . A 182 PRO HD2 . 18090 1 735 . 1 1 56 56 PRO HD3 H 1 3.64 0.02 . 2 . . . A 182 PRO HD3 . 18090 1 736 . 1 1 56 56 PRO CA C 13 64.28 0.05 . 1 . . . A 182 PRO CA . 18090 1 737 . 1 1 56 56 PRO CB C 13 31.98 0.05 . 1 . . . A 182 PRO CB . 18090 1 738 . 1 1 56 56 PRO CG C 13 27.14 0.05 . 1 . . . A 182 PRO CG . 18090 1 739 . 1 1 56 56 PRO CD C 13 51.05 0.05 . 1 . . . A 182 PRO CD . 18090 1 740 . 1 1 57 57 ARG H H 1 7.92 0.02 . 1 . . . A 183 ARG H . 18090 1 741 . 1 1 57 57 ARG HA H 1 3.96 0.02 . 1 . . . A 183 ARG HA . 18090 1 742 . 1 1 57 57 ARG HB2 H 1 2.05 0.02 . 1 . . . A 183 ARG HB2 . 18090 1 743 . 1 1 57 57 ARG HB3 H 1 1.71 0.02 . 1 . . . A 183 ARG HB3 . 18090 1 744 . 1 1 57 57 ARG HG2 H 1 1.72 0.02 . 1 . . . A 183 ARG HG2 . 18090 1 745 . 1 1 57 57 ARG HG3 H 1 1.72 0.02 . 1 . . . A 183 ARG HG3 . 18090 1 746 . 1 1 57 57 ARG HD2 H 1 2.85 0.02 . 2 . . . A 183 ARG HD2 . 18090 1 747 . 1 1 57 57 ARG HD3 H 1 3.32 0.02 . 2 . . . A 183 ARG HD3 . 18090 1 748 . 1 1 57 57 ARG C C 13 179.03 0.05 . 1 . . . A 183 ARG C . 18090 1 749 . 1 1 57 57 ARG CA C 13 59.00 0.05 . 1 . . . A 183 ARG CA . 18090 1 750 . 1 1 57 57 ARG CB C 13 29.75 0.05 . 1 . . . A 183 ARG CB . 18090 1 751 . 1 1 57 57 ARG CG C 13 26.00 0.05 . 1 . . . A 183 ARG CG . 18090 1 752 . 1 1 57 57 ARG CD C 13 43.42 0.05 . 1 . . . A 183 ARG CD . 18090 1 753 . 1 1 57 57 ARG N N 15 117.66 0.05 . 1 . . . A 183 ARG N . 18090 1 754 . 1 1 58 58 LEU H H 1 7.75 0.02 . 1 . . . A 184 LEU H . 18090 1 755 . 1 1 58 58 LEU HA H 1 3.85 0.02 . 1 . . . A 184 LEU HA . 18090 1 756 . 1 1 58 58 LEU HB2 H 1 1.30 0.02 . 1 . . . A 184 LEU HB2 . 18090 1 757 . 1 1 58 58 LEU HB3 H 1 1.90 0.02 . 1 . . . A 184 LEU HB3 . 18090 1 758 . 1 1 58 58 LEU HG H 1 1.56 0.02 . 1 . . . A 184 LEU HG . 18090 1 759 . 1 1 58 58 LEU HD11 H 1 0.88 0.02 . 1 . . . A 184 LEU HD11 . 18090 1 760 . 1 1 58 58 LEU HD12 H 1 0.88 0.02 . 1 . . . A 184 LEU HD12 . 18090 1 761 . 1 1 58 58 LEU HD13 H 1 0.88 0.02 . 1 . . . A 184 LEU HD13 . 18090 1 762 . 1 1 58 58 LEU HD21 H 1 0.74 0.02 . 1 . . . A 184 LEU HD21 . 18090 1 763 . 1 1 58 58 LEU HD22 H 1 0.74 0.02 . 1 . . . A 184 LEU HD22 . 18090 1 764 . 1 1 58 58 LEU HD23 H 1 0.74 0.02 . 1 . . . A 184 LEU HD23 . 18090 1 765 . 1 1 58 58 LEU C C 13 178.77 0.05 . 1 . . . A 184 LEU C . 18090 1 766 . 1 1 58 58 LEU CA C 13 57.11 0.05 . 1 . . . A 184 LEU CA . 18090 1 767 . 1 1 58 58 LEU CB C 13 41.31 0.05 . 1 . . . A 184 LEU CB . 18090 1 768 . 1 1 58 58 LEU CG C 13 27.58 0.05 . 1 . . . A 184 LEU CG . 18090 1 769 . 1 1 58 58 LEU CD1 C 13 25.78 0.05 . 1 . . . A 184 LEU CD1 . 18090 1 770 . 1 1 58 58 LEU CD2 C 13 23.32 0.05 . 1 . . . A 184 LEU CD2 . 18090 1 771 . 1 1 58 58 LEU N N 15 115.67 0.05 . 1 . . . A 184 LEU N . 18090 1 772 . 1 1 59 59 MET H H 1 7.59 0.02 . 1 . . . A 185 MET H . 18090 1 773 . 1 1 59 59 MET HA H 1 4.06 0.02 . 1 . . . A 185 MET HA . 18090 1 774 . 1 1 59 59 MET HB2 H 1 1.93 0.02 . 1 . . . A 185 MET HB2 . 18090 1 775 . 1 1 59 59 MET HB3 H 1 2.02 0.02 . 1 . . . A 185 MET HB3 . 18090 1 776 . 1 1 59 59 MET HG2 H 1 2.38 0.02 . 1 . . . A 185 MET HG2 . 18090 1 777 . 1 1 59 59 MET HG3 H 1 2.38 0.02 . 1 . . . A 185 MET HG3 . 18090 1 778 . 1 1 59 59 MET HE1 H 1 1.77 0.02 . 1 . . . A 185 MET HE1 . 18090 1 779 . 1 1 59 59 MET HE2 H 1 1.77 0.02 . 1 . . . A 185 MET HE2 . 18090 1 780 . 1 1 59 59 MET HE3 H 1 1.77 0.02 . 1 . . . A 185 MET HE3 . 18090 1 781 . 1 1 59 59 MET C C 13 177.54 0.05 . 1 . . . A 185 MET C . 18090 1 782 . 1 1 59 59 MET CA C 13 58.09 0.05 . 1 . . . A 185 MET CA . 18090 1 783 . 1 1 59 59 MET CB C 13 31.27 0.05 . 1 . . . A 185 MET CB . 18090 1 784 . 1 1 59 59 MET CG C 13 32.44 0.05 . 1 . . . A 185 MET CG . 18090 1 785 . 1 1 59 59 MET CE C 13 16.82 0.05 . 1 . . . A 185 MET CE . 18090 1 786 . 1 1 59 59 MET N N 15 118.57 0.05 . 1 . . . A 185 MET N . 18090 1 787 . 1 1 60 60 THR H H 1 7.18 0.02 . 1 . . . A 186 THR H . 18090 1 788 . 1 1 60 60 THR HA H 1 3.68 0.02 . 1 . . . A 186 THR HA . 18090 1 789 . 1 1 60 60 THR HB H 1 4.06 0.02 . 1 . . . A 186 THR HB . 18090 1 790 . 1 1 60 60 THR HG21 H 1 0.97 0.02 . 1 . . . A 186 THR HG21 . 18090 1 791 . 1 1 60 60 THR HG22 H 1 0.97 0.02 . 1 . . . A 186 THR HG22 . 18090 1 792 . 1 1 60 60 THR HG23 H 1 0.97 0.02 . 1 . . . A 186 THR HG23 . 18090 1 793 . 1 1 60 60 THR C C 13 177.44 0.05 . 1 . . . A 186 THR C . 18090 1 794 . 1 1 60 60 THR CA C 13 66.94 0.05 . 1 . . . A 186 THR CA . 18090 1 795 . 1 1 60 60 THR CB C 13 68.03 0.05 . 1 . . . A 186 THR CB . 18090 1 796 . 1 1 60 60 THR CG2 C 13 21.76 0.05 . 1 . . . A 186 THR CG2 . 18090 1 797 . 1 1 60 60 THR N N 15 116.39 0.05 . 1 . . . A 186 THR N . 18090 1 798 . 1 1 61 61 ILE H H 1 8.01 0.02 . 1 . . . A 187 ILE H . 18090 1 799 . 1 1 61 61 ILE HA H 1 3.29 0.02 . 1 . . . A 187 ILE HA . 18090 1 800 . 1 1 61 61 ILE HB H 1 1.90 0.02 . 1 . . . A 187 ILE HB . 18090 1 801 . 1 1 61 61 ILE HG12 H 1 1.00 0.02 . 1 . . . A 187 ILE HG12 . 18090 1 802 . 1 1 61 61 ILE HG13 H 1 1.71 0.02 . 1 . . . A 187 ILE HG13 . 18090 1 803 . 1 1 61 61 ILE HG21 H 1 0.82 0.02 . 1 . . . A 187 ILE HG21 . 18090 1 804 . 1 1 61 61 ILE HG22 H 1 0.82 0.02 . 1 . . . A 187 ILE HG22 . 18090 1 805 . 1 1 61 61 ILE HG23 H 1 0.82 0.02 . 1 . . . A 187 ILE HG23 . 18090 1 806 . 1 1 61 61 ILE HD11 H 1 0.76 0.02 . 1 . . . A 187 ILE HD11 . 18090 1 807 . 1 1 61 61 ILE HD12 H 1 0.76 0.02 . 1 . . . A 187 ILE HD12 . 18090 1 808 . 1 1 61 61 ILE HD13 H 1 0.76 0.02 . 1 . . . A 187 ILE HD13 . 18090 1 809 . 1 1 61 61 ILE C C 13 176.66 0.05 . 1 . . . A 187 ILE C . 18090 1 810 . 1 1 61 61 ILE CA C 13 65.85 0.05 . 1 . . . A 187 ILE CA . 18090 1 811 . 1 1 61 61 ILE CB C 13 37.64 0.05 . 1 . . . A 187 ILE CB . 18090 1 812 . 1 1 61 61 ILE CG1 C 13 30.21 0.05 . 1 . . . A 187 ILE CG1 . 18090 1 813 . 1 1 61 61 ILE CG2 C 13 17.51 0.05 . 1 . . . A 187 ILE CG2 . 18090 1 814 . 1 1 61 61 ILE CD1 C 13 14.60 0.05 . 1 . . . A 187 ILE CD1 . 18090 1 815 . 1 1 61 61 ILE N N 15 123.84 0.05 . 1 . . . A 187 ILE N . 18090 1 816 . 1 1 62 62 MET H H 1 8.56 0.02 . 1 . . . A 188 MET H . 18090 1 817 . 1 1 62 62 MET HA H 1 3.91 0.02 . 1 . . . A 188 MET HA . 18090 1 818 . 1 1 62 62 MET HB2 H 1 1.86 0.02 . 1 . . . A 188 MET HB2 . 18090 1 819 . 1 1 62 62 MET HB3 H 1 2.02 0.02 . 1 . . . A 188 MET HB3 . 18090 1 820 . 1 1 62 62 MET HG2 H 1 2.39 0.02 . 1 . . . A 188 MET HG2 . 18090 1 821 . 1 1 62 62 MET HG3 H 1 2.39 0.02 . 1 . . . A 188 MET HG3 . 18090 1 822 . 1 1 62 62 MET HE1 H 1 1.68 0.02 . 1 . . . A 188 MET HE1 . 18090 1 823 . 1 1 62 62 MET HE2 H 1 1.68 0.02 . 1 . . . A 188 MET HE2 . 18090 1 824 . 1 1 62 62 MET HE3 H 1 1.68 0.02 . 1 . . . A 188 MET HE3 . 18090 1 825 . 1 1 62 62 MET C C 13 177.54 0.05 . 1 . . . A 188 MET C . 18090 1 826 . 1 1 62 62 MET CA C 13 58.53 0.05 . 1 . . . A 188 MET CA . 18090 1 827 . 1 1 62 62 MET CB C 13 31.20 0.05 . 1 . . . A 188 MET CB . 18090 1 828 . 1 1 62 62 MET CG C 13 32.42 0.05 . 1 . . . A 188 MET CG . 18090 1 829 . 1 1 62 62 MET CE C 13 17.06 0.05 . 1 . . . A 188 MET CE . 18090 1 830 . 1 1 62 62 MET N N 15 118.21 0.05 . 1 . . . A 188 MET N . 18090 1 831 . 1 1 63 63 ALA H H 1 8.21 0.02 . 1 . . . A 189 ALA H . 18090 1 832 . 1 1 63 63 ALA HA H 1 3.73 0.02 . 1 . . . A 189 ALA HA . 18090 1 833 . 1 1 63 63 ALA HB1 H 1 1.30 0.02 . 1 . . . A 189 ALA HB1 . 18090 1 834 . 1 1 63 63 ALA HB2 H 1 1.30 0.02 . 1 . . . A 189 ALA HB2 . 18090 1 835 . 1 1 63 63 ALA HB3 H 1 1.30 0.02 . 1 . . . A 189 ALA HB3 . 18090 1 836 . 1 1 63 63 ALA C C 13 179.55 0.05 . 1 . . . A 189 ALA C . 18090 1 837 . 1 1 63 63 ALA CA C 13 55.47 0.05 . 1 . . . A 189 ALA CA . 18090 1 838 . 1 1 63 63 ALA CB C 13 17.64 0.05 . 1 . . . A 189 ALA CB . 18090 1 839 . 1 1 63 63 ALA N N 15 119.85 0.05 . 1 . . . A 189 ALA N . 18090 1 840 . 1 1 64 64 THR H H 1 7.74 0.02 . 1 . . . A 190 THR H . 18090 1 841 . 1 1 64 64 THR HA H 1 3.79 0.02 . 1 . . . A 190 THR HA . 18090 1 842 . 1 1 64 64 THR HB H 1 4.09 0.02 . 1 . . . A 190 THR HB . 18090 1 843 . 1 1 64 64 THR HG21 H 1 0.99 0.02 . 1 . . . A 190 THR HG21 . 18090 1 844 . 1 1 64 64 THR HG22 H 1 0.99 0.02 . 1 . . . A 190 THR HG22 . 18090 1 845 . 1 1 64 64 THR HG23 H 1 0.99 0.02 . 1 . . . A 190 THR HG23 . 18090 1 846 . 1 1 64 64 THR C C 13 177.64 0.05 . 1 . . . A 190 THR C . 18090 1 847 . 1 1 64 64 THR CA C 13 66.69 0.05 . 1 . . . A 190 THR CA . 18090 1 848 . 1 1 64 64 THR CB C 13 68.31 0.05 . 1 . . . A 190 THR CB . 18090 1 849 . 1 1 64 64 THR CG2 C 13 20.88 0.05 . 1 . . . A 190 THR CG2 . 18090 1 850 . 1 1 64 64 THR N N 15 114.57 0.05 . 1 . . . A 190 THR N . 18090 1 851 . 1 1 65 65 LEU H H 1 8.18 0.02 . 1 . . . A 191 LEU H . 18090 1 852 . 1 1 65 65 LEU HA H 1 3.93 0.02 . 1 . . . A 191 LEU HA . 18090 1 853 . 1 1 65 65 LEU HB2 H 1 1.21 0.02 . 1 . . . A 191 LEU HB2 . 18090 1 854 . 1 1 65 65 LEU HB3 H 1 1.72 0.02 . 1 . . . A 191 LEU HB3 . 18090 1 855 . 1 1 65 65 LEU HG H 1 1.73 0.02 . 1 . . . A 191 LEU HG . 18090 1 856 . 1 1 65 65 LEU HD11 H 1 0.42 0.02 . 1 . . . A 191 LEU HD11 . 18090 1 857 . 1 1 65 65 LEU HD12 H 1 0.42 0.02 . 1 . . . A 191 LEU HD12 . 18090 1 858 . 1 1 65 65 LEU HD13 H 1 0.42 0.02 . 1 . . . A 191 LEU HD13 . 18090 1 859 . 1 1 65 65 LEU HD21 H 1 0.64 0.02 . 1 . . . A 191 LEU HD21 . 18090 1 860 . 1 1 65 65 LEU HD22 H 1 0.64 0.02 . 1 . . . A 191 LEU HD22 . 18090 1 861 . 1 1 65 65 LEU HD23 H 1 0.64 0.02 . 1 . . . A 191 LEU HD23 . 18090 1 862 . 1 1 65 65 LEU C C 13 178.47 0.05 . 1 . . . A 191 LEU C . 18090 1 863 . 1 1 65 65 LEU CA C 13 57.12 0.05 . 1 . . . A 191 LEU CA . 18090 1 864 . 1 1 65 65 LEU CB C 13 41.83 0.05 . 1 . . . A 191 LEU CB . 18090 1 865 . 1 1 65 65 LEU CG C 13 26.20 0.05 . 1 . . . A 191 LEU CG . 18090 1 866 . 1 1 65 65 LEU CD1 C 13 25.60 0.05 . 1 . . . A 191 LEU CD1 . 18090 1 867 . 1 1 65 65 LEU CD2 C 13 22.16 0.05 . 1 . . . A 191 LEU CD2 . 18090 1 868 . 1 1 65 65 LEU N N 15 122.41 0.05 . 1 . . . A 191 LEU N . 18090 1 869 . 1 1 66 66 MET H H 1 7.88 0.02 . 1 . . . A 192 MET H . 18090 1 870 . 1 1 66 66 MET HA H 1 4.09 0.02 . 1 . . . A 192 MET HA . 18090 1 871 . 1 1 66 66 MET HB2 H 1 2.07 0.02 . 1 . . . A 192 MET HB2 . 18090 1 872 . 1 1 66 66 MET HB3 H 1 1.85 0.02 . 1 . . . A 192 MET HB3 . 18090 1 873 . 1 1 66 66 MET HG2 H 1 2.51 0.02 . 1 . . . A 192 MET HG2 . 18090 1 874 . 1 1 66 66 MET HG3 H 1 2.28 0.02 . 1 . . . A 192 MET HG3 . 18090 1 875 . 1 1 66 66 MET HE1 H 1 1.78 0.02 . 1 . . . A 192 MET HE1 . 18090 1 876 . 1 1 66 66 MET HE2 H 1 1.78 0.02 . 1 . . . A 192 MET HE2 . 18090 1 877 . 1 1 66 66 MET HE3 H 1 1.78 0.02 . 1 . . . A 192 MET HE3 . 18090 1 878 . 1 1 66 66 MET C C 13 176.09 0.05 . 1 . . . A 192 MET C . 18090 1 879 . 1 1 66 66 MET CA C 13 56.39 0.05 . 1 . . . A 192 MET CA . 18090 1 880 . 1 1 66 66 MET CB C 13 33.77 0.05 . 1 . . . A 192 MET CB . 18090 1 881 . 1 1 66 66 MET CG C 13 32.76 0.05 . 1 . . . A 192 MET CG . 18090 1 882 . 1 1 66 66 MET CE C 13 17.41 0.05 . 1 . . . A 192 MET CE . 18090 1 883 . 1 1 66 66 MET N N 15 115.32 0.05 . 1 . . . A 192 MET N . 18090 1 884 . 1 1 67 67 GLY H H 1 7.58 0.02 . 1 . . . A 193 GLY H . 18090 1 885 . 1 1 67 67 GLY HA2 H 1 3.75 0.02 . 2 . . . A 193 GLY HA2 . 18090 1 886 . 1 1 67 67 GLY HA3 H 1 3.83 0.02 . 2 . . . A 193 GLY HA3 . 18090 1 887 . 1 1 67 67 GLY C C 13 174.39 0.05 . 1 . . . A 193 GLY C . 18090 1 888 . 1 1 67 67 GLY CA C 13 45.88 0.05 . 1 . . . A 193 GLY CA . 18090 1 889 . 1 1 67 67 GLY N N 15 107.49 0.05 . 1 . . . A 193 GLY N . 18090 1 890 . 1 1 68 68 VAL H H 1 7.84 0.02 . 1 . . . A 194 VAL H . 18090 1 891 . 1 1 68 68 VAL HA H 1 3.94 0.02 . 1 . . . A 194 VAL HA . 18090 1 892 . 1 1 68 68 VAL HB H 1 1.80 0.02 . 1 . . . A 194 VAL HB . 18090 1 893 . 1 1 68 68 VAL HG11 H 1 0.68 0.02 . 1 . . . A 194 VAL HG11 . 18090 1 894 . 1 1 68 68 VAL HG12 H 1 0.68 0.02 . 1 . . . A 194 VAL HG12 . 18090 1 895 . 1 1 68 68 VAL HG13 H 1 0.68 0.02 . 1 . . . A 194 VAL HG13 . 18090 1 896 . 1 1 68 68 VAL HG21 H 1 0.72 0.02 . 1 . . . A 194 VAL HG21 . 18090 1 897 . 1 1 68 68 VAL HG22 H 1 0.72 0.02 . 1 . . . A 194 VAL HG22 . 18090 1 898 . 1 1 68 68 VAL HG23 H 1 0.72 0.02 . 1 . . . A 194 VAL HG23 . 18090 1 899 . 1 1 68 68 VAL C C 13 174.76 0.05 . 1 . . . A 194 VAL C . 18090 1 900 . 1 1 68 68 VAL CA C 13 61.51 0.05 . 1 . . . A 194 VAL CA . 18090 1 901 . 1 1 68 68 VAL CB C 13 32.67 0.05 . 1 . . . A 194 VAL CB . 18090 1 902 . 1 1 68 68 VAL CG1 C 13 21.05 0.05 . 1 . . . A 194 VAL CG1 . 18090 1 903 . 1 1 68 68 VAL CG2 C 13 20.70 0.05 . 1 . . . A 194 VAL CG2 . 18090 1 904 . 1 1 68 68 VAL N N 15 118.52 0.05 . 1 . . . A 194 VAL N . 18090 1 905 . 1 1 69 69 ASP H H 1 8.40 0.02 . 1 . . . A 195 ASP H . 18090 1 906 . 1 1 69 69 ASP HA H 1 4.43 0.02 . 1 . . . A 195 ASP HA . 18090 1 907 . 1 1 69 69 ASP HB2 H 1 2.54 0.02 . 1 . . . A 195 ASP HB2 . 18090 1 908 . 1 1 69 69 ASP HB3 H 1 2.38 0.02 . 1 . . . A 195 ASP HB3 . 18090 1 909 . 1 1 69 69 ASP C C 13 175.14 0.05 . 1 . . . A 195 ASP C . 18090 1 910 . 1 1 69 69 ASP CA C 13 53.76 0.05 . 1 . . . A 195 ASP CA . 18090 1 911 . 1 1 69 69 ASP CB C 13 40.92 0.05 . 1 . . . A 195 ASP CB . 18090 1 912 . 1 1 69 69 ASP N N 15 124.55 0.05 . 1 . . . A 195 ASP N . 18090 1 913 . 1 1 70 70 LEU H H 1 8.16 0.02 . 1 . . . A 196 LEU H . 18090 1 914 . 1 1 70 70 LEU HA H 1 4.20 0.02 . 1 . . . A 196 LEU HA . 18090 1 915 . 1 1 70 70 LEU HB2 H 1 1.42 0.02 . 1 . . . A 196 LEU HB2 . 18090 1 916 . 1 1 70 70 LEU HB3 H 1 1.52 0.02 . 1 . . . A 196 LEU HB3 . 18090 1 917 . 1 1 70 70 LEU HG H 1 1.41 0.02 . 1 . . . A 196 LEU HG . 18090 1 918 . 1 1 70 70 LEU HD11 H 1 0.69 0.02 . 1 . . . A 196 LEU HD11 . 18090 1 919 . 1 1 70 70 LEU HD12 H 1 0.69 0.02 . 1 . . . A 196 LEU HD12 . 18090 1 920 . 1 1 70 70 LEU HD13 H 1 0.69 0.02 . 1 . . . A 196 LEU HD13 . 18090 1 921 . 1 1 70 70 LEU HD21 H 1 0.61 0.02 . 1 . . . A 196 LEU HD21 . 18090 1 922 . 1 1 70 70 LEU HD22 H 1 0.61 0.02 . 1 . . . A 196 LEU HD22 . 18090 1 923 . 1 1 70 70 LEU HD23 H 1 0.61 0.02 . 1 . . . A 196 LEU HD23 . 18090 1 924 . 1 1 70 70 LEU C C 13 175.95 0.05 . 1 . . . A 196 LEU C . 18090 1 925 . 1 1 70 70 LEU CA C 13 54.38 0.05 . 1 . . . A 196 LEU CA . 18090 1 926 . 1 1 70 70 LEU CB C 13 41.61 0.05 . 1 . . . A 196 LEU CB . 18090 1 927 . 1 1 70 70 LEU CG C 13 26.26 0.05 . 1 . . . A 196 LEU CG . 18090 1 928 . 1 1 70 70 LEU CD1 C 13 25.50 0.05 . 1 . . . A 196 LEU CD1 . 18090 1 929 . 1 1 70 70 LEU CD2 C 13 23.26 0.05 . 1 . . . A 196 LEU CD2 . 18090 1 930 . 1 1 70 70 LEU N N 15 123.93 0.05 . 1 . . . A 196 LEU N . 18090 1 931 . 1 1 71 71 ASN H H 1 7.90 0.02 . 1 . . . A 197 ASN H . 18090 1 932 . 1 1 71 71 ASN HA H 1 4.25 0.02 . 1 . . . A 197 ASN HA . 18090 1 933 . 1 1 71 71 ASN HB2 H 1 2.59 0.02 . 1 . . . A 197 ASN HB2 . 18090 1 934 . 1 1 71 71 ASN HB3 H 1 2.52 0.02 . 1 . . . A 197 ASN HB3 . 18090 1 935 . 1 1 71 71 ASN HD21 H 1 6.71 0.02 . 1 . . . A 197 ASN HD21 . 18090 1 936 . 1 1 71 71 ASN HD22 H 1 7.45 0.02 . 1 . . . A 197 ASN HD22 . 18090 1 937 . 1 1 71 71 ASN C C 13 179.34 0.05 . 1 . . . A 197 ASN C . 18090 1 938 . 1 1 71 71 ASN CA C 13 54.63 0.05 . 1 . . . A 197 ASN CA . 18090 1 939 . 1 1 71 71 ASN CB C 13 39.96 0.05 . 1 . . . A 197 ASN CB . 18090 1 940 . 1 1 71 71 ASN N N 15 124.19 0.05 . 1 . . . A 197 ASN N . 18090 1 941 . 1 1 71 71 ASN ND2 N 15 113.30 0.05 . 1 . . . A 197 ASN ND2 . 18090 1 stop_ save_