data_7382 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7382 _Entry.Title ; NMR Structure of RRM-2 of Yeast NPL3 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-21 _Entry.Accession_date 2007-04-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 P. Deka P. . . 7382 2 M. Bucheli M. . . 7382 3 L. Skrisovska L. . . 7382 4 F. Allain F. H. . 7382 5 C. Moore C. . . 7382 6 S. Buratowski S. . . 7382 7 G. Varani G. . . 7382 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'mRNA, RNA-binding' 'mRNA, RNA-binding' 7382 Npl3 Npl3 7382 RRM RRM 7382 'SR protein' 'SR protein' 7382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 7382 '15N chemical shifts' 88 7382 '1H chemical shifts' 583 7382 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 . . 2012-11-07 2007-03-21 update BMRB 'delete the outliers of 0.000 of the aromatic hydrogen atoms HD1, HD2, HE1, HE2, HZ' 7382 1 . . 2008-05-06 2007-03-21 original author 'original release' 7382 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OSR 'BMRB Entry Tracking System' 7382 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7382 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18022637 _Citation.Full_citation . _Citation.Title 'Structure of the yeast SR protein Npl3 and Interaction with mRNA 3'-end processing signals' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 1 _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 136 _Citation.Page_last 150 _Citation.Year 2008 _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 P. Deka P. . . 7382 1 2 M. Bucheli M. . . 7382 1 3 C. Moore C. . . 7382 1 4 S. Buratowski S. . . 7382 1 5 G. Varani G. . . 7382 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7382 _Assembly.ID 1 _Assembly.Name Nucleolar_protein_3 _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 Nucleolar_protein_3 1 $Nucleolar_protein_3 A . yes native no no . . . 7382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nucleolar_protein_3 _Entity.Sf_category entity _Entity.Sf_framecode Nucleolar_protein_3 _Entity.Entry_ID 7382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nucleolar_protein_3 _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 ; KLPAKRYRITMKNLPEGCSW QDLKDLARENSLETTFSSVN TRDFDGTGALEFPSEEILVE ALERLNNIEFRGSVITVERD DNPPPIR ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM 2 domain (residues 194-280)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 15487 . Npl3p_RRM2 . . . . . 100.00 111 100.00 100.00 2.56e-56 . . . . 7382 1 2 no PDB 2JVR . "Segmental Isotope Labeling Of Npl3p" . . . . . 100.00 111 100.00 100.00 2.56e-56 . . . . 7382 1 3 no PDB 2OSR . "Nmr Structure Of Rrm-2 Of Yeast Npl3 Protein" . . . . . 100.00 87 100.00 100.00 2.51e-55 . . . . 7382 1 4 no DBJ GAA22648 . "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 414 100.00 100.00 4.24e-49 . . . . 7382 1 5 no EMBL CAA46817 . "nucleolar protein [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 6 no EMBL CAA50291 . "Mts1p [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 7 no EMBL CAY78932 . "Npl3p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 8 no GB AAA34818 . "Npl3p [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 9 no GB AAB64865 . "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 10 no GB AHY75384 . "Npl3p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 11 no GB EDN60757 . "nuclear shuttling protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 12 no GB EDV07905 . "nucleolar protein NOP3 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 13 no REF NP_010720 . "Npl3p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 14 no REF XP_011105020 . "npl3p [Saccharomyces arboricola H-6]" . . . . . 100.00 415 98.85 100.00 1.55e-48 . . . . 7382 1 15 no SP Q01560 . "RecName: Full=Nucleolar protein 3; AltName: Full=Mitochondrial targeting suppressor 1 protein; AltName: Full=Nuclear polyadenyl" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 16 no TPG DAA12270 . "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 414 100.00 100.00 3.39e-49 . . . . 7382 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Complete proteome' SWS-KEYWORD 7382 1 'Mitochondrial targeting suppressor 1 protein' SWS-SYNONYM 7382 1 'Mitochondrial targeting suppressor 1 protein, Nuclear polyadenylated RNA-binding protein 1' . 7382 1 'Nuclear polyadenylated RNA-binding protein 1' SWS-SYNONYM 7382 1 'Nuclear protein' SWS-KEYWORD 7382 1 'Nucleolar protein 3' RCSB_NAME 7382 1 Phosphorylation SWS-KEYWORD 7382 1 Repeat SWS-KEYWORD 7382 1 Ribonucleoprotein SWS-KEYWORD 7382 1 'Ribosome biogenesis' SWS-KEYWORD 7382 1 RNA-binding SWS-KEYWORD 7382 1 'rRNA processing' SWS-KEYWORD 7382 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 80 LYS . 7382 1 2 81 LEU . 7382 1 3 82 PRO . 7382 1 4 83 ALA . 7382 1 5 84 LYS . 7382 1 6 85 ARG . 7382 1 7 86 TYR . 7382 1 8 87 ARG . 7382 1 9 88 ILE . 7382 1 10 89 THR . 7382 1 11 90 MET . 7382 1 12 91 LYS . 7382 1 13 92 ASN . 7382 1 14 93 LEU . 7382 1 15 94 PRO . 7382 1 16 95 GLU . 7382 1 17 96 GLY . 7382 1 18 97 CYS . 7382 1 19 98 SER . 7382 1 20 99 TRP . 7382 1 21 100 GLN . 7382 1 22 101 ASP . 7382 1 23 102 LEU . 7382 1 24 103 LYS . 7382 1 25 104 ASP . 7382 1 26 105 LEU . 7382 1 27 106 ALA . 7382 1 28 107 ARG . 7382 1 29 108 GLU . 7382 1 30 109 ASN . 7382 1 31 110 SER . 7382 1 32 111 LEU . 7382 1 33 112 GLU . 7382 1 34 113 THR . 7382 1 35 114 THR . 7382 1 36 115 PHE . 7382 1 37 116 SER . 7382 1 38 117 SER . 7382 1 39 118 VAL . 7382 1 40 119 ASN . 7382 1 41 120 THR . 7382 1 42 121 ARG . 7382 1 43 122 ASP . 7382 1 44 123 PHE . 7382 1 45 124 ASP . 7382 1 46 125 GLY . 7382 1 47 126 THR . 7382 1 48 127 GLY . 7382 1 49 128 ALA . 7382 1 50 129 LEU . 7382 1 51 130 GLU . 7382 1 52 131 PHE . 7382 1 53 132 PRO . 7382 1 54 133 SER . 7382 1 55 134 GLU . 7382 1 56 135 GLU . 7382 1 57 136 ILE . 7382 1 58 137 LEU . 7382 1 59 138 VAL . 7382 1 60 139 GLU . 7382 1 61 140 ALA . 7382 1 62 141 LEU . 7382 1 63 142 GLU . 7382 1 64 143 ARG . 7382 1 65 144 LEU . 7382 1 66 145 ASN . 7382 1 67 146 ASN . 7382 1 68 147 ILE . 7382 1 69 148 GLU . 7382 1 70 149 PHE . 7382 1 71 150 ARG . 7382 1 72 151 GLY . 7382 1 73 152 SER . 7382 1 74 153 VAL . 7382 1 75 154 ILE . 7382 1 76 155 THR . 7382 1 77 156 VAL . 7382 1 78 157 GLU . 7382 1 79 158 ARG . 7382 1 80 159 ASP . 7382 1 81 160 ASP . 7382 1 82 161 ASN . 7382 1 83 162 PRO . 7382 1 84 163 PRO . 7382 1 85 164 PRO . 7382 1 86 165 ILE . 7382 1 87 166 ARG . 7382 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 7382 1 . LEU 2 2 7382 1 . PRO 3 3 7382 1 . ALA 4 4 7382 1 . LYS 5 5 7382 1 . ARG 6 6 7382 1 . TYR 7 7 7382 1 . ARG 8 8 7382 1 . ILE 9 9 7382 1 . THR 10 10 7382 1 . MET 11 11 7382 1 . LYS 12 12 7382 1 . ASN 13 13 7382 1 . LEU 14 14 7382 1 . PRO 15 15 7382 1 . GLU 16 16 7382 1 . GLY 17 17 7382 1 . CYS 18 18 7382 1 . SER 19 19 7382 1 . TRP 20 20 7382 1 . GLN 21 21 7382 1 . ASP 22 22 7382 1 . LEU 23 23 7382 1 . LYS 24 24 7382 1 . ASP 25 25 7382 1 . LEU 26 26 7382 1 . ALA 27 27 7382 1 . ARG 28 28 7382 1 . GLU 29 29 7382 1 . ASN 30 30 7382 1 . SER 31 31 7382 1 . LEU 32 32 7382 1 . GLU 33 33 7382 1 . THR 34 34 7382 1 . THR 35 35 7382 1 . PHE 36 36 7382 1 . SER 37 37 7382 1 . SER 38 38 7382 1 . VAL 39 39 7382 1 . ASN 40 40 7382 1 . THR 41 41 7382 1 . ARG 42 42 7382 1 . ASP 43 43 7382 1 . PHE 44 44 7382 1 . ASP 45 45 7382 1 . GLY 46 46 7382 1 . THR 47 47 7382 1 . GLY 48 48 7382 1 . ALA 49 49 7382 1 . LEU 50 50 7382 1 . GLU 51 51 7382 1 . PHE 52 52 7382 1 . PRO 53 53 7382 1 . SER 54 54 7382 1 . GLU 55 55 7382 1 . GLU 56 56 7382 1 . ILE 57 57 7382 1 . LEU 58 58 7382 1 . VAL 59 59 7382 1 . GLU 60 60 7382 1 . ALA 61 61 7382 1 . LEU 62 62 7382 1 . GLU 63 63 7382 1 . ARG 64 64 7382 1 . LEU 65 65 7382 1 . ASN 66 66 7382 1 . ASN 67 67 7382 1 . ILE 68 68 7382 1 . GLU 69 69 7382 1 . PHE 70 70 7382 1 . ARG 71 71 7382 1 . GLY 72 72 7382 1 . SER 73 73 7382 1 . VAL 74 74 7382 1 . ILE 75 75 7382 1 . THR 76 76 7382 1 . VAL 77 77 7382 1 . GLU 78 78 7382 1 . ARG 79 79 7382 1 . ASP 80 80 7382 1 . ASP 81 81 7382 1 . ASN 82 82 7382 1 . PRO 83 83 7382 1 . PRO 84 84 7382 1 . PRO 85 85 7382 1 . ILE 86 86 7382 1 . ARG 87 87 7382 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 7382 _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 $Nucleolar_protein_3 . 4932 organism . 'Saccharomyces cerevisiae' yeast . . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . 'NOP3, MTS1, NAB1, NPL3' . . . . 7382 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 7382 _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 $Nucleolar_protein_3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . GG . . . . . . . . 7382 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7382 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . 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 Nucleolar_protein_3 'natural abundance' . . 1 $Nucleolar_protein_3 . . . . . mM . . . . 7382 1 2 'Potassium phosphate' . . . . . . . 20 . . mM . . . . 7382 1 3 'potassium chloride' . . . . . . . 20 . . mM . . . . 7382 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7382 _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' . . mM 7382 1 pH 6.5 . pH 7382 1 pressure 1 . atm 7382 1 temperature 298 . K 7382 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7382 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, P. ET AL.' . . 7382 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7382 1 stop_ save_ save_CYANA_2 _Software.Sf_category software _Software.Sf_framecode CYANA_2 _Software.Entry_ID 7382 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, P. ET AL.' . . 7382 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7382 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7382 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 7382 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 7382 _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 DMX . 500 . . . 7382 1 2 spectrometer_2 Bruker AVANCE . 750 . . . 7382 1 3 spectrometer_3 Varian INOVA . 800 . . . 7382 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 7382 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7382 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7382 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7382 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 7382 _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 external indirect 0.251449530 . . . 1 $citations . . 1 $citations 7382 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . 1 $citations . . 1 $citations 7382 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $citations . . 1 $citations 7382 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 7382 _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 NOESY . . . 7382 1 2 3D_13C-separated_NOESY . . . 7382 1 3 3D_15N-separated_NOESY . . . 7382 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 2 2 LEU H H 1 8.346 0.007 . . . . . . 81 LEU H . 7382 1 2 . 1 1 2 2 LEU HA H 1 4.396 0.007 . . . . . . 81 LEU HA . 7382 1 3 . 1 1 2 2 LEU HB2 H 1 1.405 0.003 . . . . . . 81 LEU QB . 7382 1 4 . 1 1 2 2 LEU HB3 H 1 1.405 0.003 . . . . . . 81 LEU QB . 7382 1 5 . 1 1 2 2 LEU HD11 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 6 . 1 1 2 2 LEU HD12 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 7 . 1 1 2 2 LEU HD13 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 8 . 1 1 2 2 LEU HD21 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 9 . 1 1 2 2 LEU HD22 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 10 . 1 1 2 2 LEU HD23 H 1 0.763 0.017 . . . . . . 81 LEU QQD . 7382 1 11 . 1 1 2 2 LEU HG H 1 1.385 0.006 . . . . . . 81 LEU HG . 7382 1 12 . 1 1 2 2 LEU CA C 13 53.310 0.078 . . . . . . 81 LEU CA . 7382 1 13 . 1 1 2 2 LEU CB C 13 41.678 0.125 . . . . . . 81 LEU CB . 7382 1 14 . 1 1 2 2 LEU CD1 C 13 22.864 0.000 . . . . . . 81 LEU CD1 . 7382 1 15 . 1 1 2 2 LEU CD2 C 13 23.266 0.000 . . . . . . 81 LEU CD2 . 7382 1 16 . 1 1 2 2 LEU CG C 13 27.177 0.141 . . . . . . 81 LEU CG . 7382 1 17 . 1 1 2 2 LEU N N 15 125.005 0.025 . . . . . . 81 LEU N . 7382 1 18 . 1 1 3 3 PRO HA H 1 4.281 0.011 . . . . . . 82 PRO HA . 7382 1 19 . 1 1 3 3 PRO HB2 H 1 1.760 0.010 . . . . . . 82 PRO HB2 . 7382 1 20 . 1 1 3 3 PRO HB3 H 1 2.145 0.003 . . . . . . 82 PRO HB3 . 7382 1 21 . 1 1 3 3 PRO HD2 H 1 3.501 0.007 . . . . . . 82 PRO HD2 . 7382 1 22 . 1 1 3 3 PRO HD3 H 1 3.655 0.007 . . . . . . 82 PRO HD3 . 7382 1 23 . 1 1 3 3 PRO C C 13 174.216 0.000 . . . . . . 82 PRO C . 7382 1 24 . 1 1 3 3 PRO CA C 13 63.027 0.226 . . . . . . 82 PRO CA . 7382 1 25 . 1 1 3 3 PRO CB C 13 32.102 0.127 . . . . . . 82 PRO CB . 7382 1 26 . 1 1 3 3 PRO CD C 13 50.464 0.135 . . . . . . 82 PRO CD . 7382 1 27 . 1 1 4 4 ALA H H 1 8.175 0.005 . . . . . . 83 ALA H . 7382 1 28 . 1 1 4 4 ALA HA H 1 4.137 0.004 . . . . . . 83 ALA HA . 7382 1 29 . 1 1 4 4 ALA HB1 H 1 1.258 0.004 . . . . . . 83 ALA QB . 7382 1 30 . 1 1 4 4 ALA HB2 H 1 1.258 0.004 . . . . . . 83 ALA QB . 7382 1 31 . 1 1 4 4 ALA HB3 H 1 1.258 0.004 . . . . . . 83 ALA QB . 7382 1 32 . 1 1 4 4 ALA C C 13 175.592 0.000 . . . . . . 83 ALA C . 7382 1 33 . 1 1 4 4 ALA CA C 13 52.331 0.089 . . . . . . 83 ALA CA . 7382 1 34 . 1 1 4 4 ALA CB C 13 19.527 0.144 . . . . . . 83 ALA CB . 7382 1 35 . 1 1 4 4 ALA N N 15 124.527 0.017 . . . . . . 83 ALA N . 7382 1 36 . 1 1 5 5 LYS H H 1 8.046 0.007 . . . . . . 84 LYS H . 7382 1 37 . 1 1 5 5 LYS HA H 1 4.058 0.010 . . . . . . 84 LYS HA . 7382 1 38 . 1 1 5 5 LYS HB2 H 1 1.498 0.013 . . . . . . 84 LYS HB2 . 7382 1 39 . 1 1 5 5 LYS HB3 H 1 1.461 0.007 . . . . . . 84 LYS HB3 . 7382 1 40 . 1 1 5 5 LYS HD2 H 1 1.580 0.035 . . . . . . 84 LYS QD . 7382 1 41 . 1 1 5 5 LYS HD3 H 1 1.580 0.035 . . . . . . 84 LYS QD . 7382 1 42 . 1 1 5 5 LYS HE2 H 1 2.900 0.007 . . . . . . 84 LYS QE . 7382 1 43 . 1 1 5 5 LYS HE3 H 1 2.900 0.007 . . . . . . 84 LYS QE . 7382 1 44 . 1 1 5 5 LYS HG2 H 1 1.163 0.012 . . . . . . 84 LYS QG . 7382 1 45 . 1 1 5 5 LYS HG3 H 1 1.163 0.012 . . . . . . 84 LYS QG . 7382 1 46 . 1 1 5 5 LYS C C 13 173.120 0.000 . . . . . . 84 LYS C . 7382 1 47 . 1 1 5 5 LYS CA C 13 55.903 0.132 . . . . . . 84 LYS CA . 7382 1 48 . 1 1 5 5 LYS CB C 13 33.271 0.159 . . . . . . 84 LYS CB . 7382 1 49 . 1 1 5 5 LYS CD C 13 29.189 0.191 . . . . . . 84 LYS CD . 7382 1 50 . 1 1 5 5 LYS CE C 13 42.063 0.050 . . . . . . 84 LYS CE . 7382 1 51 . 1 1 5 5 LYS CG C 13 24.740 0.131 . . . . . . 84 LYS CG . 7382 1 52 . 1 1 5 5 LYS N N 15 120.857 0.027 . . . . . . 84 LYS N . 7382 1 53 . 1 1 6 6 ARG H H 1 7.884 0.007 . . . . . . 85 ARG H . 7382 1 54 . 1 1 6 6 ARG HA H 1 4.176 0.015 . . . . . . 85 ARG HA . 7382 1 55 . 1 1 6 6 ARG HB2 H 1 1.298 0.006 . . . . . . 85 ARG HB2 . 7382 1 56 . 1 1 6 6 ARG HB3 H 1 1.453 0.014 . . . . . . 85 ARG HB3 . 7382 1 57 . 1 1 6 6 ARG HD2 H 1 2.973 0.004 . . . . . . 85 ARG QD . 7382 1 58 . 1 1 6 6 ARG HD3 H 1 2.973 0.004 . . . . . . 85 ARG QD . 7382 1 59 . 1 1 6 6 ARG HG2 H 1 1.602 0.015 . . . . . . 85 ARG QG . 7382 1 60 . 1 1 6 6 ARG HG3 H 1 1.602 0.015 . . . . . . 85 ARG QG . 7382 1 61 . 1 1 6 6 ARG C C 13 172.632 0.000 . . . . . . 85 ARG C . 7382 1 62 . 1 1 6 6 ARG CA C 13 54.285 0.135 . . . . . . 85 ARG CA . 7382 1 63 . 1 1 6 6 ARG CB C 13 32.612 0.081 . . . . . . 85 ARG CB . 7382 1 64 . 1 1 6 6 ARG CD C 13 43.257 0.000 . . . . . . 85 ARG CD . 7382 1 65 . 1 1 6 6 ARG CG C 13 25.205 0.153 . . . . . . 85 ARG CG . 7382 1 66 . 1 1 6 6 ARG N N 15 121.373 0.012 . . . . . . 85 ARG N . 7382 1 67 . 1 1 7 7 TYR H H 1 8.568 0.007 . . . . . . 86 TYR H . 7382 1 68 . 1 1 7 7 TYR HA H 1 4.592 0.010 . . . . . . 86 TYR HA . 7382 1 69 . 1 1 7 7 TYR HB2 H 1 2.881 0.008 . . . . . . 86 TYR HB2 . 7382 1 70 . 1 1 7 7 TYR HB3 H 1 3.199 0.004 . . . . . . 86 TYR HB3 . 7382 1 71 . 1 1 7 7 TYR HD1 H 1 6.972 0.006 . . . . . . 86 TYR QD . 7382 1 72 . 1 1 7 7 TYR HD2 H 1 6.972 0.006 . . . . . . 86 TYR QD . 7382 1 73 . 1 1 7 7 TYR HE1 H 1 6.747 0.004 . . . . . . 86 TYR QE . 7382 1 74 . 1 1 7 7 TYR HE2 H 1 6.747 0.004 . . . . . . 86 TYR QE . 7382 1 75 . 1 1 7 7 TYR C C 13 171.766 0.000 . . . . . . 86 TYR C . 7382 1 76 . 1 1 7 7 TYR CA C 13 57.125 0.000 . . . . . . 86 TYR CA . 7382 1 77 . 1 1 7 7 TYR CB C 13 37.581 0.189 . . . . . . 86 TYR CB . 7382 1 78 . 1 1 7 7 TYR N N 15 123.411 0.032 . . . . . . 86 TYR N . 7382 1 79 . 1 1 8 8 ARG H H 1 8.859 0.011 . . . . . . 87 ARG H . 7382 1 80 . 1 1 8 8 ARG HA H 1 5.460 0.007 . . . . . . 87 ARG HA . 7382 1 81 . 1 1 8 8 ARG HB2 H 1 1.893 0.013 . . . . . . 87 ARG HB2 . 7382 1 82 . 1 1 8 8 ARG HB3 H 1 1.943 0.016 . . . . . . 87 ARG HB3 . 7382 1 83 . 1 1 8 8 ARG HD2 H 1 3.198 0.008 . . . . . . 87 ARG HD2 . 7382 1 84 . 1 1 8 8 ARG HD3 H 1 2.864 0.014 . . . . . . 87 ARG HD3 . 7382 1 85 . 1 1 8 8 ARG HG2 H 1 1.638 0.001 . . . . . . 87 ARG QG . 7382 1 86 . 1 1 8 8 ARG HG3 H 1 1.638 0.001 . . . . . . 87 ARG QG . 7382 1 87 . 1 1 8 8 ARG C C 13 172.837 0.000 . . . . . . 87 ARG C . 7382 1 88 . 1 1 8 8 ARG CA C 13 54.762 0.115 . . . . . . 87 ARG CA . 7382 1 89 . 1 1 8 8 ARG CB C 13 35.613 0.032 . . . . . . 87 ARG CB . 7382 1 90 . 1 1 8 8 ARG CD C 13 43.628 0.157 . . . . . . 87 ARG CD . 7382 1 91 . 1 1 8 8 ARG CG C 13 28.929 0.000 . . . . . . 87 ARG CG . 7382 1 92 . 1 1 8 8 ARG N N 15 126.643 0.023 . . . . . . 87 ARG N . 7382 1 93 . 1 1 9 9 ILE H H 1 9.092 0.010 . . . . . . 88 ILE H . 7382 1 94 . 1 1 9 9 ILE HA H 1 5.231 0.004 . . . . . . 88 ILE HA . 7382 1 95 . 1 1 9 9 ILE HB H 1 1.892 0.013 . . . . . . 88 ILE HB . 7382 1 96 . 1 1 9 9 ILE HD11 H 1 0.873 0.006 . . . . . . 88 ILE QD1 . 7382 1 97 . 1 1 9 9 ILE HD12 H 1 0.873 0.006 . . . . . . 88 ILE QD1 . 7382 1 98 . 1 1 9 9 ILE HD13 H 1 0.873 0.006 . . . . . . 88 ILE QD1 . 7382 1 99 . 1 1 9 9 ILE HG12 H 1 1.377 0.010 . . . . . . 88 ILE HG12 . 7382 1 100 . 1 1 9 9 ILE HG13 H 1 1.382 0.000 . . . . . . 88 ILE HG13 . 7382 1 101 . 1 1 9 9 ILE HG21 H 1 0.883 0.009 . . . . . . 88 ILE QG2 . 7382 1 102 . 1 1 9 9 ILE HG22 H 1 0.883 0.009 . . . . . . 88 ILE QG2 . 7382 1 103 . 1 1 9 9 ILE HG23 H 1 0.883 0.009 . . . . . . 88 ILE QG2 . 7382 1 104 . 1 1 9 9 ILE C C 13 172.680 0.000 . . . . . . 88 ILE C . 7382 1 105 . 1 1 9 9 ILE CA C 13 59.159 0.132 . . . . . . 88 ILE CA . 7382 1 106 . 1 1 9 9 ILE CB C 13 41.311 0.231 . . . . . . 88 ILE CB . 7382 1 107 . 1 1 9 9 ILE CD1 C 13 14.054 0.037 . . . . . . 88 ILE CD1 . 7382 1 108 . 1 1 9 9 ILE CG1 C 13 25.538 0.205 . . . . . . 88 ILE CG1 . 7382 1 109 . 1 1 9 9 ILE CG2 C 13 18.512 0.000 . . . . . . 88 ILE CG2 . 7382 1 110 . 1 1 9 9 ILE N N 15 118.226 0.075 . . . . . . 88 ILE N . 7382 1 111 . 1 1 10 10 THR H H 1 9.130 0.006 . . . . . . 89 THR H . 7382 1 112 . 1 1 10 10 THR HA H 1 4.891 0.010 . . . . . . 89 THR HA . 7382 1 113 . 1 1 10 10 THR HB H 1 4.029 0.005 . . . . . . 89 THR HB . 7382 1 114 . 1 1 10 10 THR HG21 H 1 1.203 0.009 . . . . . . 89 THR QG2 . 7382 1 115 . 1 1 10 10 THR HG22 H 1 1.203 0.009 . . . . . . 89 THR QG2 . 7382 1 116 . 1 1 10 10 THR HG23 H 1 1.203 0.009 . . . . . . 89 THR QG2 . 7382 1 117 . 1 1 10 10 THR C C 13 171.859 0.000 . . . . . . 89 THR C . 7382 1 118 . 1 1 10 10 THR CA C 13 61.125 0.079 . . . . . . 89 THR CA . 7382 1 119 . 1 1 10 10 THR CB C 13 70.273 0.164 . . . . . . 89 THR CB . 7382 1 120 . 1 1 10 10 THR CG2 C 13 22.350 0.207 . . . . . . 89 THR CG2 . 7382 1 121 . 1 1 10 10 THR N N 15 117.778 0.029 . . . . . . 89 THR N . 7382 1 122 . 1 1 11 11 MET H H 1 8.657 0.006 . . . . . . 90 MET H . 7382 1 123 . 1 1 11 11 MET HA H 1 5.223 0.006 . . . . . . 90 MET HA . 7382 1 124 . 1 1 11 11 MET HB2 H 1 1.932 0.016 . . . . . . 90 MET HB2 . 7382 1 125 . 1 1 11 11 MET HB3 H 1 1.537 0.010 . . . . . . 90 MET HB3 . 7382 1 126 . 1 1 11 11 MET HG2 H 1 2.294 0.019 . . . . . . 90 MET HG2 . 7382 1 127 . 1 1 11 11 MET HG3 H 1 2.239 0.005 . . . . . . 90 MET HG3 . 7382 1 128 . 1 1 11 11 MET C C 13 172.361 0.000 . . . . . . 90 MET C . 7382 1 129 . 1 1 11 11 MET CA C 13 54.019 0.157 . . . . . . 90 MET CA . 7382 1 130 . 1 1 11 11 MET CB C 13 36.055 0.120 . . . . . . 90 MET CB . 7382 1 131 . 1 1 11 11 MET CG C 13 31.846 0.157 . . . . . . 90 MET CG . 7382 1 132 . 1 1 11 11 MET N N 15 123.697 0.026 . . . . . . 90 MET N . 7382 1 133 . 1 1 12 12 LYS H H 1 8.936 0.005 . . . . . . 91 LYS H . 7382 1 134 . 1 1 12 12 LYS HA H 1 4.830 0.012 . . . . . . 91 LYS HA . 7382 1 135 . 1 1 12 12 LYS HB2 H 1 1.751 0.014 . . . . . . 91 LYS QB . 7382 1 136 . 1 1 12 12 LYS HB3 H 1 1.751 0.014 . . . . . . 91 LYS QB . 7382 1 137 . 1 1 12 12 LYS HD2 H 1 1.547 0.005 . . . . . . 91 LYS QD . 7382 1 138 . 1 1 12 12 LYS HD3 H 1 1.547 0.005 . . . . . . 91 LYS QD . 7382 1 139 . 1 1 12 12 LYS HE2 H 1 2.787 0.002 . . . . . . 91 LYS QE . 7382 1 140 . 1 1 12 12 LYS HE3 H 1 2.787 0.002 . . . . . . 91 LYS QE . 7382 1 141 . 1 1 12 12 LYS HG2 H 1 1.258 0.010 . . . . . . 91 LYS QG . 7382 1 142 . 1 1 12 12 LYS HG3 H 1 1.258 0.010 . . . . . . 91 LYS QG . 7382 1 143 . 1 1 12 12 LYS C C 13 173.177 0.000 . . . . . . 91 LYS C . 7382 1 144 . 1 1 12 12 LYS CA C 13 55.167 0.186 . . . . . . 91 LYS CA . 7382 1 145 . 1 1 12 12 LYS CB C 13 36.107 0.136 . . . . . . 91 LYS CB . 7382 1 146 . 1 1 12 12 LYS CG C 13 25.756 0.108 . . . . . . 91 LYS CG . 7382 1 147 . 1 1 12 12 LYS N N 15 120.844 0.018 . . . . . . 91 LYS N . 7382 1 148 . 1 1 13 13 ASN H H 1 8.412 0.005 . . . . . . 92 ASN H . 7382 1 149 . 1 1 13 13 ASN HA H 1 4.323 0.009 . . . . . . 92 ASN HA . 7382 1 150 . 1 1 13 13 ASN HB2 H 1 2.774 0.007 . . . . . . 92 ASN HB2 . 7382 1 151 . 1 1 13 13 ASN HB3 H 1 3.552 0.012 . . . . . . 92 ASN HB3 . 7382 1 152 . 1 1 13 13 ASN HD21 H 1 7.886 0.009 . . . . . . 92 ASN HD21 . 7382 1 153 . 1 1 13 13 ASN HD22 H 1 6.712 0.004 . . . . . . 92 ASN HD22 . 7382 1 154 . 1 1 13 13 ASN C C 13 172.963 0.000 . . . . . . 92 ASN C . 7382 1 155 . 1 1 13 13 ASN CA C 13 53.942 0.121 . . . . . . 92 ASN CA . 7382 1 156 . 1 1 13 13 ASN CB C 13 38.359 0.129 . . . . . . 92 ASN CB . 7382 1 157 . 1 1 13 13 ASN N N 15 115.814 0.026 . . . . . . 92 ASN N . 7382 1 158 . 1 1 13 13 ASN ND2 N 15 113.131 0.115 . . . . . . 92 ASN ND2 . 7382 1 159 . 1 1 14 14 LEU H H 1 9.064 0.008 . . . . . . 93 LEU H . 7382 1 160 . 1 1 14 14 LEU HA H 1 4.229 0.011 . . . . . . 93 LEU HA . 7382 1 161 . 1 1 14 14 LEU HB2 H 1 1.369 0.010 . . . . . . 93 LEU HB2 . 7382 1 162 . 1 1 14 14 LEU HB3 H 1 1.468 0.010 . . . . . . 93 LEU HB3 . 7382 1 163 . 1 1 14 14 LEU HD11 H 1 0.931 0.013 . . . . . . 93 LEU QD1 . 7382 1 164 . 1 1 14 14 LEU HD12 H 1 0.931 0.013 . . . . . . 93 LEU QD1 . 7382 1 165 . 1 1 14 14 LEU HD13 H 1 0.931 0.013 . . . . . . 93 LEU QD1 . 7382 1 166 . 1 1 14 14 LEU HD21 H 1 0.790 0.013 . . . . . . 93 LEU QD2 . 7382 1 167 . 1 1 14 14 LEU HD22 H 1 0.790 0.013 . . . . . . 93 LEU QD2 . 7382 1 168 . 1 1 14 14 LEU HD23 H 1 0.790 0.013 . . . . . . 93 LEU QD2 . 7382 1 169 . 1 1 14 14 LEU HG H 1 1.675 0.010 . . . . . . 93 LEU HG . 7382 1 170 . 1 1 14 14 LEU CA C 13 53.603 0.090 . . . . . . 93 LEU CA . 7382 1 171 . 1 1 14 14 LEU CB C 13 41.044 0.095 . . . . . . 93 LEU CB . 7382 1 172 . 1 1 14 14 LEU CD1 C 13 22.656 0.163 . . . . . . 93 LEU CD1 . 7382 1 173 . 1 1 14 14 LEU CD2 C 13 23.017 0.000 . . . . . . 93 LEU CD2 . 7382 1 174 . 1 1 14 14 LEU CG C 13 27.356 0.175 . . . . . . 93 LEU CG . 7382 1 175 . 1 1 14 14 LEU N N 15 116.688 0.022 . . . . . . 93 LEU N . 7382 1 176 . 1 1 15 15 PRO HA H 1 4.449 0.008 . . . . . . 94 PRO HA . 7382 1 177 . 1 1 15 15 PRO HB2 H 1 2.145 0.007 . . . . . . 94 PRO QB . 7382 1 178 . 1 1 15 15 PRO HB3 H 1 2.145 0.007 . . . . . . 94 PRO QB . 7382 1 179 . 1 1 15 15 PRO HD2 H 1 3.531 0.038 . . . . . . 94 PRO QD . 7382 1 180 . 1 1 15 15 PRO HD3 H 1 3.531 0.038 . . . . . . 94 PRO QD . 7382 1 181 . 1 1 15 15 PRO HG2 H 1 1.785 0.007 . . . . . . 94 PRO HG2 . 7382 1 182 . 1 1 15 15 PRO HG3 H 1 1.631 0.000 . . . . . . 94 PRO HG3 . 7382 1 183 . 1 1 15 15 PRO C C 13 174.437 0.000 . . . . . . 94 PRO C . 7382 1 184 . 1 1 15 15 PRO CA C 13 62.134 0.059 . . . . . . 94 PRO CA . 7382 1 185 . 1 1 15 15 PRO CB C 13 32.038 0.161 . . . . . . 94 PRO CB . 7382 1 186 . 1 1 15 15 PRO CD C 13 50.294 0.000 . . . . . . 94 PRO CD . 7382 1 187 . 1 1 15 15 PRO CG C 13 27.129 0.180 . . . . . . 94 PRO CG . 7382 1 188 . 1 1 16 16 GLU H H 1 8.458 0.007 . . . . . . 95 GLU H . 7382 1 189 . 1 1 16 16 GLU HA H 1 3.641 0.004 . . . . . . 95 GLU HA . 7382 1 190 . 1 1 16 16 GLU HB2 H 1 1.812 0.011 . . . . . . 95 GLU QB . 7382 1 191 . 1 1 16 16 GLU HB3 H 1 1.812 0.011 . . . . . . 95 GLU QB . 7382 1 192 . 1 1 16 16 GLU HG2 H 1 2.110 0.020 . . . . . . 95 GLU QG . 7382 1 193 . 1 1 16 16 GLU HG3 H 1 2.110 0.020 . . . . . . 95 GLU QG . 7382 1 194 . 1 1 16 16 GLU C C 13 175.862 0.000 . . . . . . 95 GLU C . 7382 1 195 . 1 1 16 16 GLU CA C 13 58.061 0.088 . . . . . . 95 GLU CA . 7382 1 196 . 1 1 16 16 GLU CB C 13 29.477 0.190 . . . . . . 95 GLU CB . 7382 1 197 . 1 1 16 16 GLU CG C 13 36.123 0.099 . . . . . . 95 GLU CG . 7382 1 198 . 1 1 16 16 GLU N N 15 120.799 0.013 . . . . . . 95 GLU N . 7382 1 199 . 1 1 17 17 GLY H H 1 8.401 0.009 . . . . . . 96 GLY H . 7382 1 200 . 1 1 17 17 GLY HA2 H 1 3.530 0.006 . . . . . . 96 GLY HA2 . 7382 1 201 . 1 1 17 17 GLY HA3 H 1 4.067 0.006 . . . . . . 96 GLY HA3 . 7382 1 202 . 1 1 17 17 GLY C C 13 178.844 0.000 . . . . . . 96 GLY C . 7382 1 203 . 1 1 17 17 GLY CA C 13 45.298 0.071 . . . . . . 96 GLY CA . 7382 1 204 . 1 1 17 17 GLY N N 15 112.622 0.023 . . . . . . 96 GLY N . 7382 1 205 . 1 1 18 18 CYS H H 1 7.555 0.005 . . . . . . 97 CYS H . 7382 1 206 . 1 1 18 18 CYS HA H 1 4.437 0.009 . . . . . . 97 CYS HA . 7382 1 207 . 1 1 18 18 CYS HB2 H 1 2.867 0.008 . . . . . . 97 CYS HB2 . 7382 1 208 . 1 1 18 18 CYS HB3 H 1 2.983 0.006 . . . . . . 97 CYS HB3 . 7382 1 209 . 1 1 18 18 CYS C C 13 171.266 0.000 . . . . . . 97 CYS C . 7382 1 210 . 1 1 18 18 CYS CA C 13 59.928 0.140 . . . . . . 97 CYS CA . 7382 1 211 . 1 1 18 18 CYS CB C 13 28.130 0.131 . . . . . . 97 CYS CB . 7382 1 212 . 1 1 18 18 CYS N N 15 119.481 0.081 . . . . . . 97 CYS N . 7382 1 213 . 1 1 19 19 SER H H 1 9.503 0.005 . . . . . . 98 SER H . 7382 1 214 . 1 1 19 19 SER HA H 1 5.057 0.007 . . . . . . 98 SER HA . 7382 1 215 . 1 1 19 19 SER HB2 H 1 4.187 0.012 . . . . . . 98 SER HB2 . 7382 1 216 . 1 1 19 19 SER HB3 H 1 3.828 0.006 . . . . . . 98 SER HB3 . 7382 1 217 . 1 1 19 19 SER C C 13 174.349 0.000 . . . . . . 98 SER C . 7382 1 218 . 1 1 19 19 SER CA C 13 56.109 0.122 . . . . . . 98 SER CA . 7382 1 219 . 1 1 19 19 SER CB C 13 67.799 0.171 . . . . . . 98 SER CB . 7382 1 220 . 1 1 19 19 SER N N 15 123.006 0.030 . . . . . . 98 SER N . 7382 1 221 . 1 1 20 20 TRP H H 1 8.880 0.006 . . . . . . 99 TRP H . 7382 1 222 . 1 1 20 20 TRP HA H 1 4.049 0.011 . . . . . . 99 TRP HA . 7382 1 223 . 1 1 20 20 TRP HB2 H 1 3.109 0.004 . . . . . . 99 TRP HB2 . 7382 1 224 . 1 1 20 20 TRP HB3 H 1 3.400 0.006 . . . . . . 99 TRP HB3 . 7382 1 225 . 1 1 20 20 TRP HD1 H 1 7.548 0.002 . . . . . . 99 TRP HD1 . 7382 1 226 . 1 1 20 20 TRP HE1 H 1 10.265 0.001 . . . . . . 99 TRP HE1 . 7382 1 227 . 1 1 20 20 TRP HE3 H 1 7.438 0.000 . . . . . . 99 TRP HE3 . 7382 1 228 . 1 1 20 20 TRP HZ2 H 1 7.166 0.014 . . . . . . 99 TRP HZ2 . 7382 1 229 . 1 1 20 20 TRP C C 13 177.329 0.000 . . . . . . 99 TRP C . 7382 1 230 . 1 1 20 20 TRP CA C 13 60.294 0.050 . . . . . . 99 TRP CA . 7382 1 231 . 1 1 20 20 TRP CB C 13 27.497 0.090 . . . . . . 99 TRP CB . 7382 1 232 . 1 1 20 20 TRP N N 15 120.100 0.027 . . . . . . 99 TRP N . 7382 1 233 . 1 1 20 20 TRP NE1 N 15 130.538 0.005 . . . . . . 99 TRP NE1 . 7382 1 234 . 1 1 21 21 GLN H H 1 7.440 0.007 . . . . . . 100 GLN H . 7382 1 235 . 1 1 21 21 GLN HA H 1 3.258 0.005 . . . . . . 100 GLN HA . 7382 1 236 . 1 1 21 21 GLN HB2 H 1 1.052 0.022 . . . . . . 100 GLN HB2 . 7382 1 237 . 1 1 21 21 GLN HB3 H 1 1.395 0.013 . . . . . . 100 GLN HB3 . 7382 1 238 . 1 1 21 21 GLN HE21 H 1 7.262 0.005 . . . . . . 100 GLN HE21 . 7382 1 239 . 1 1 21 21 GLN HE22 H 1 6.464 0.004 . . . . . . 100 GLN HE22 . 7382 1 240 . 1 1 21 21 GLN HG2 H 1 1.718 0.013 . . . . . . 100 GLN HG2 . 7382 1 241 . 1 1 21 21 GLN HG3 H 1 1.090 0.007 . . . . . . 100 GLN HG3 . 7382 1 242 . 1 1 21 21 GLN C C 13 175.560 0.000 . . . . . . 100 GLN C . 7382 1 243 . 1 1 21 21 GLN CA C 13 59.272 0.164 . . . . . . 100 GLN CA . 7382 1 244 . 1 1 21 21 GLN CB C 13 27.305 0.157 . . . . . . 100 GLN CB . 7382 1 245 . 1 1 21 21 GLN CG C 13 32.937 0.134 . . . . . . 100 GLN CG . 7382 1 246 . 1 1 21 21 GLN N N 15 125.313 0.019 . . . . . . 100 GLN N . 7382 1 247 . 1 1 21 21 GLN NE2 N 15 112.369 0.086 . . . . . . 100 GLN NE2 . 7382 1 248 . 1 1 22 22 ASP H H 1 7.578 0.004 . . . . . . 101 ASP H . 7382 1 249 . 1 1 22 22 ASP HA H 1 4.333 0.011 . . . . . . 101 ASP HA . 7382 1 250 . 1 1 22 22 ASP HB2 H 1 2.677 0.012 . . . . . . 101 ASP HB2 . 7382 1 251 . 1 1 22 22 ASP HB3 H 1 3.326 0.010 . . . . . . 101 ASP HB3 . 7382 1 252 . 1 1 22 22 ASP C C 13 177.101 0.000 . . . . . . 101 ASP C . 7382 1 253 . 1 1 22 22 ASP CA C 13 57.458 0.124 . . . . . . 101 ASP CA . 7382 1 254 . 1 1 22 22 ASP CB C 13 41.496 0.111 . . . . . . 101 ASP CB . 7382 1 255 . 1 1 22 22 ASP N N 15 120.022 0.037 . . . . . . 101 ASP N . 7382 1 256 . 1 1 23 23 LEU H H 1 7.280 0.006 . . . . . . 102 LEU H . 7382 1 257 . 1 1 23 23 LEU HA H 1 3.870 0.012 . . . . . . 102 LEU HA . 7382 1 258 . 1 1 23 23 LEU HB2 H 1 1.385 0.004 . . . . . . 102 LEU HB2 . 7382 1 259 . 1 1 23 23 LEU HB3 H 1 1.863 0.016 . . . . . . 102 LEU HB3 . 7382 1 260 . 1 1 23 23 LEU HD11 H 1 0.698 0.004 . . . . . . 102 LEU QD1 . 7382 1 261 . 1 1 23 23 LEU HD12 H 1 0.698 0.004 . . . . . . 102 LEU QD1 . 7382 1 262 . 1 1 23 23 LEU HD13 H 1 0.698 0.004 . . . . . . 102 LEU QD1 . 7382 1 263 . 1 1 23 23 LEU HD21 H 1 0.858 0.012 . . . . . . 102 LEU QD2 . 7382 1 264 . 1 1 23 23 LEU HD22 H 1 0.858 0.012 . . . . . . 102 LEU QD2 . 7382 1 265 . 1 1 23 23 LEU HD23 H 1 0.858 0.012 . . . . . . 102 LEU QD2 . 7382 1 266 . 1 1 23 23 LEU HG H 1 1.642 0.019 . . . . . . 102 LEU HG . 7382 1 267 . 1 1 23 23 LEU C C 13 176.459 0.000 . . . . . . 102 LEU C . 7382 1 268 . 1 1 23 23 LEU CA C 13 57.627 0.134 . . . . . . 102 LEU CA . 7382 1 269 . 1 1 23 23 LEU CB C 13 41.920 0.120 . . . . . . 102 LEU CB . 7382 1 270 . 1 1 23 23 LEU CD1 C 13 23.697 0.000 . . . . . . 102 LEU CD1 . 7382 1 271 . 1 1 23 23 LEU CG C 13 27.130 0.000 . . . . . . 102 LEU CG . 7382 1 272 . 1 1 23 23 LEU N N 15 117.581 0.015 . . . . . . 102 LEU N . 7382 1 273 . 1 1 24 24 LYS H H 1 7.394 0.006 . . . . . . 103 LYS H . 7382 1 274 . 1 1 24 24 LYS HA H 1 3.854 0.014 . . . . . . 103 LYS HA . 7382 1 275 . 1 1 24 24 LYS HB2 H 1 1.902 0.005 . . . . . . 103 LYS QB . 7382 1 276 . 1 1 24 24 LYS HB3 H 1 1.902 0.005 . . . . . . 103 LYS QB . 7382 1 277 . 1 1 24 24 LYS HD2 H 1 1.608 0.013 . . . . . . 103 LYS QD . 7382 1 278 . 1 1 24 24 LYS HD3 H 1 1.608 0.013 . . . . . . 103 LYS QD . 7382 1 279 . 1 1 24 24 LYS HE2 H 1 2.885 0.014 . . . . . . 103 LYS QE . 7382 1 280 . 1 1 24 24 LYS HE3 H 1 2.885 0.014 . . . . . . 103 LYS QE . 7382 1 281 . 1 1 24 24 LYS HG2 H 1 1.386 0.003 . . . . . . 103 LYS QG . 7382 1 282 . 1 1 24 24 LYS HG3 H 1 1.386 0.003 . . . . . . 103 LYS QG . 7382 1 283 . 1 1 24 24 LYS C C 13 177.525 0.000 . . . . . . 103 LYS C . 7382 1 284 . 1 1 24 24 LYS CA C 13 60.200 0.082 . . . . . . 103 LYS CA . 7382 1 285 . 1 1 24 24 LYS CB C 13 31.967 0.127 . . . . . . 103 LYS CB . 7382 1 286 . 1 1 24 24 LYS CD C 13 29.475 0.000 . . . . . . 103 LYS CD . 7382 1 287 . 1 1 24 24 LYS CG C 13 25.763 0.000 . . . . . . 103 LYS CG . 7382 1 288 . 1 1 24 24 LYS N N 15 119.132 0.024 . . . . . . 103 LYS N . 7382 1 289 . 1 1 25 25 ASP H H 1 8.329 0.006 . . . . . . 104 ASP H . 7382 1 290 . 1 1 25 25 ASP HA H 1 4.377 0.008 . . . . . . 104 ASP HA . 7382 1 291 . 1 1 25 25 ASP HB2 H 1 2.700 0.001 . . . . . . 104 ASP HB2 . 7382 1 292 . 1 1 25 25 ASP HB3 H 1 2.848 0.011 . . . . . . 104 ASP HB3 . 7382 1 293 . 1 1 25 25 ASP C C 13 175.957 0.000 . . . . . . 104 ASP C . 7382 1 294 . 1 1 25 25 ASP CA C 13 57.557 0.134 . . . . . . 104 ASP CA . 7382 1 295 . 1 1 25 25 ASP CB C 13 40.159 0.151 . . . . . . 104 ASP CB . 7382 1 296 . 1 1 25 25 ASP N N 15 121.496 0.018 . . . . . . 104 ASP N . 7382 1 297 . 1 1 26 26 LEU H H 1 7.968 0.006 . . . . . . 105 LEU H . 7382 1 298 . 1 1 26 26 LEU HA H 1 4.012 0.007 . . . . . . 105 LEU HA . 7382 1 299 . 1 1 26 26 LEU HB2 H 1 1.659 0.010 . . . . . . 105 LEU HB2 . 7382 1 300 . 1 1 26 26 LEU HB3 H 1 1.119 0.011 . . . . . . 105 LEU HB3 . 7382 1 301 . 1 1 26 26 LEU HD11 H 1 0.487 0.006 . . . . . . 105 LEU QD1 . 7382 1 302 . 1 1 26 26 LEU HD12 H 1 0.487 0.006 . . . . . . 105 LEU QD1 . 7382 1 303 . 1 1 26 26 LEU HD13 H 1 0.487 0.006 . . . . . . 105 LEU QD1 . 7382 1 304 . 1 1 26 26 LEU HD21 H 1 0.055 0.008 . . . . . . 105 LEU QD2 . 7382 1 305 . 1 1 26 26 LEU HD22 H 1 0.055 0.008 . . . . . . 105 LEU QD2 . 7382 1 306 . 1 1 26 26 LEU HD23 H 1 0.055 0.008 . . . . . . 105 LEU QD2 . 7382 1 307 . 1 1 26 26 LEU HG H 1 1.038 0.007 . . . . . . 105 LEU HG . 7382 1 308 . 1 1 26 26 LEU C C 13 177.536 0.000 . . . . . . 105 LEU C . 7382 1 309 . 1 1 26 26 LEU CA C 13 57.864 0.168 . . . . . . 105 LEU CA . 7382 1 310 . 1 1 26 26 LEU CB C 13 41.481 0.104 . . . . . . 105 LEU CB . 7382 1 311 . 1 1 26 26 LEU CD1 C 13 22.568 0.037 . . . . . . 105 LEU CD1 . 7382 1 312 . 1 1 26 26 LEU CD2 C 13 24.676 0.000 . . . . . . 105 LEU CD2 . 7382 1 313 . 1 1 26 26 LEU CG C 13 26.733 0.006 . . . . . . 105 LEU CG . 7382 1 314 . 1 1 26 26 LEU N N 15 123.190 0.081 . . . . . . 105 LEU N . 7382 1 315 . 1 1 27 27 ALA H H 1 7.998 0.007 . . . . . . 106 ALA H . 7382 1 316 . 1 1 27 27 ALA HA H 1 3.882 0.004 . . . . . . 106 ALA HA . 7382 1 317 . 1 1 27 27 ALA HB1 H 1 1.605 0.004 . . . . . . 106 ALA QB . 7382 1 318 . 1 1 27 27 ALA HB2 H 1 1.605 0.004 . . . . . . 106 ALA QB . 7382 1 319 . 1 1 27 27 ALA HB3 H 1 1.605 0.004 . . . . . . 106 ALA QB . 7382 1 320 . 1 1 27 27 ALA C C 13 177.815 0.000 . . . . . . 106 ALA C . 7382 1 321 . 1 1 27 27 ALA CA C 13 56.295 0.128 . . . . . . 106 ALA CA . 7382 1 322 . 1 1 27 27 ALA CB C 13 18.145 0.087 . . . . . . 106 ALA CB . 7382 1 323 . 1 1 27 27 ALA N N 15 121.543 0.047 . . . . . . 106 ALA N . 7382 1 324 . 1 1 28 28 ARG H H 1 8.409 0.003 . . . . . . 107 ARG H . 7382 1 325 . 1 1 28 28 ARG HA H 1 4.027 0.011 . . . . . . 107 ARG HA . 7382 1 326 . 1 1 28 28 ARG HB2 H 1 2.024 0.008 . . . . . . 107 ARG HB2 . 7382 1 327 . 1 1 28 28 ARG HB3 H 1 2.087 0.008 . . . . . . 107 ARG HB3 . 7382 1 328 . 1 1 28 28 ARG HD2 H 1 3.238 0.020 . . . . . . 107 ARG HD2 . 7382 1 329 . 1 1 28 28 ARG HD3 H 1 3.284 0.009 . . . . . . 107 ARG HD3 . 7382 1 330 . 1 1 28 28 ARG HG2 H 1 1.616 0.007 . . . . . . 107 ARG HG2 . 7382 1 331 . 1 1 28 28 ARG HG3 H 1 1.746 0.014 . . . . . . 107 ARG HG3 . 7382 1 332 . 1 1 28 28 ARG C C 13 179.240 0.000 . . . . . . 107 ARG C . 7382 1 333 . 1 1 28 28 ARG CA C 13 59.873 0.161 . . . . . . 107 ARG CA . 7382 1 334 . 1 1 28 28 ARG CB C 13 29.945 0.053 . . . . . . 107 ARG CB . 7382 1 335 . 1 1 28 28 ARG CD C 13 43.052 0.052 . . . . . . 107 ARG CD . 7382 1 336 . 1 1 28 28 ARG N N 15 121.084 0.025 . . . . . . 107 ARG N . 7382 1 337 . 1 1 29 29 GLU H H 1 8.651 0.003 . . . . . . 108 GLU H . 7382 1 338 . 1 1 29 29 GLU HA H 1 4.086 0.014 . . . . . . 108 GLU HA . 7382 1 339 . 1 1 29 29 GLU HB2 H 1 2.103 0.009 . . . . . . 108 GLU HB2 . 7382 1 340 . 1 1 29 29 GLU HB3 H 1 2.177 0.003 . . . . . . 108 GLU HB3 . 7382 1 341 . 1 1 29 29 GLU HG2 H 1 2.344 0.004 . . . . . . 108 GLU HG2 . 7382 1 342 . 1 1 29 29 GLU HG3 H 1 2.407 0.011 . . . . . . 108 GLU HG3 . 7382 1 343 . 1 1 29 29 GLU C C 13 175.199 0.000 . . . . . . 108 GLU C . 7382 1 344 . 1 1 29 29 GLU CA C 13 58.835 0.045 . . . . . . 108 GLU CA . 7382 1 345 . 1 1 29 29 GLU CB C 13 29.668 0.140 . . . . . . 108 GLU CB . 7382 1 346 . 1 1 29 29 GLU CG C 13 36.722 0.151 . . . . . . 108 GLU CG . 7382 1 347 . 1 1 29 29 GLU N N 15 121.414 0.021 . . . . . . 108 GLU N . 7382 1 348 . 1 1 30 30 ASN H H 1 7.345 0.007 . . . . . . 109 ASN H . 7382 1 349 . 1 1 30 30 ASN HA H 1 4.723 0.001 . . . . . . 109 ASN HA . 7382 1 350 . 1 1 30 30 ASN HB2 H 1 2.708 0.013 . . . . . . 109 ASN HB2 . 7382 1 351 . 1 1 30 30 ASN HB3 H 1 2.325 0.006 . . . . . . 109 ASN HB3 . 7382 1 352 . 1 1 30 30 ASN HD21 H 1 7.453 0.010 . . . . . . 109 ASN HD21 . 7382 1 353 . 1 1 30 30 ASN HD22 H 1 7.225 0.004 . . . . . . 109 ASN HD22 . 7382 1 354 . 1 1 30 30 ASN C C 13 170.134 0.000 . . . . . . 109 ASN C . 7382 1 355 . 1 1 30 30 ASN CA C 13 54.362 0.000 . . . . . . 109 ASN CA . 7382 1 356 . 1 1 30 30 ASN CB C 13 41.122 0.189 . . . . . . 109 ASN CB . 7382 1 357 . 1 1 30 30 ASN N N 15 116.596 0.030 . . . . . . 109 ASN N . 7382 1 358 . 1 1 30 30 ASN ND2 N 15 114.888 0.027 . . . . . . 109 ASN ND2 . 7382 1 359 . 1 1 31 31 SER H H 1 8.003 0.003 . . . . . . 110 SER H . 7382 1 360 . 1 1 31 31 SER HA H 1 3.997 0.002 . . . . . . 110 SER HA . 7382 1 361 . 1 1 31 31 SER HB2 H 1 4.076 0.000 . . . . . . 110 SER HB2 . 7382 1 362 . 1 1 31 31 SER HB3 H 1 3.932 0.000 . . . . . . 110 SER HB3 . 7382 1 363 . 1 1 31 31 SER C C 13 171.264 0.000 . . . . . . 110 SER C . 7382 1 364 . 1 1 31 31 SER CA C 13 59.066 0.077 . . . . . . 110 SER CA . 7382 1 365 . 1 1 31 31 SER CB C 13 61.145 0.000 . . . . . . 110 SER CB . 7382 1 366 . 1 1 31 31 SER N N 15 110.585 0.017 . . . . . . 110 SER N . 7382 1 367 . 1 1 32 32 LEU H H 1 7.913 0.003 . . . . . . 111 LEU H . 7382 1 368 . 1 1 32 32 LEU HA H 1 4.586 0.009 . . . . . . 111 LEU HA . 7382 1 369 . 1 1 32 32 LEU HB2 H 1 1.759 0.009 . . . . . . 111 LEU HB2 . 7382 1 370 . 1 1 32 32 LEU HB3 H 1 1.049 0.018 . . . . . . 111 LEU HB3 . 7382 1 371 . 1 1 32 32 LEU HD11 H 1 0.733 0.007 . . . . . . 111 LEU QD1 . 7382 1 372 . 1 1 32 32 LEU HD12 H 1 0.733 0.007 . . . . . . 111 LEU QD1 . 7382 1 373 . 1 1 32 32 LEU HD13 H 1 0.733 0.007 . . . . . . 111 LEU QD1 . 7382 1 374 . 1 1 32 32 LEU HD21 H 1 0.634 0.007 . . . . . . 111 LEU QD2 . 7382 1 375 . 1 1 32 32 LEU HD22 H 1 0.634 0.007 . . . . . . 111 LEU QD2 . 7382 1 376 . 1 1 32 32 LEU HD23 H 1 0.634 0.007 . . . . . . 111 LEU QD2 . 7382 1 377 . 1 1 32 32 LEU HG H 1 1.591 0.010 . . . . . . 111 LEU HG . 7382 1 378 . 1 1 32 32 LEU C C 13 173.495 0.000 . . . . . . 111 LEU C . 7382 1 379 . 1 1 32 32 LEU CA C 13 52.849 0.000 . . . . . . 111 LEU CA . 7382 1 380 . 1 1 32 32 LEU CB C 13 43.388 0.093 . . . . . . 111 LEU CB . 7382 1 381 . 1 1 32 32 LEU CD1 C 13 23.780 0.000 . . . . . . 111 LEU CD1 . 7382 1 382 . 1 1 32 32 LEU CD2 C 13 23.771 0.077 . . . . . . 111 LEU CD2 . 7382 1 383 . 1 1 32 32 LEU CG C 13 24.759 0.005 . . . . . . 111 LEU CG . 7382 1 384 . 1 1 32 32 LEU N N 15 119.180 0.018 . . . . . . 111 LEU N . 7382 1 385 . 1 1 33 33 GLU H H 1 8.121 0.008 . . . . . . 112 GLU H . 7382 1 386 . 1 1 33 33 GLU HA H 1 4.293 0.003 . . . . . . 112 GLU HA . 7382 1 387 . 1 1 33 33 GLU HB2 H 1 1.985 0.010 . . . . . . 112 GLU HB2 . 7382 1 388 . 1 1 33 33 GLU HB3 H 1 1.932 0.006 . . . . . . 112 GLU HB3 . 7382 1 389 . 1 1 33 33 GLU HG2 H 1 2.168 0.007 . . . . . . 112 GLU HG2 . 7382 1 390 . 1 1 33 33 GLU HG3 H 1 2.324 0.004 . . . . . . 112 GLU HG3 . 7382 1 391 . 1 1 33 33 GLU C C 13 172.866 0.000 . . . . . . 112 GLU C . 7382 1 392 . 1 1 33 33 GLU CA C 13 56.680 0.061 . . . . . . 112 GLU CA . 7382 1 393 . 1 1 33 33 GLU CB C 13 30.804 0.073 . . . . . . 112 GLU CB . 7382 1 394 . 1 1 33 33 GLU CG C 13 36.544 0.266 . . . . . . 112 GLU CG . 7382 1 395 . 1 1 33 33 GLU N N 15 126.158 0.021 . . . . . . 112 GLU N . 7382 1 396 . 1 1 34 34 THR H H 1 7.904 0.006 . . . . . . 113 THR H . 7382 1 397 . 1 1 34 34 THR HA H 1 5.160 0.008 . . . . . . 113 THR HA . 7382 1 398 . 1 1 34 34 THR HB H 1 4.099 0.027 . . . . . . 113 THR HB . 7382 1 399 . 1 1 34 34 THR HG21 H 1 1.040 0.010 . . . . . . 113 THR QG2 . 7382 1 400 . 1 1 34 34 THR HG22 H 1 1.040 0.010 . . . . . . 113 THR QG2 . 7382 1 401 . 1 1 34 34 THR HG23 H 1 1.040 0.010 . . . . . . 113 THR QG2 . 7382 1 402 . 1 1 34 34 THR C C 13 173.683 0.000 . . . . . . 113 THR C . 7382 1 403 . 1 1 34 34 THR CA C 13 59.092 0.146 . . . . . . 113 THR CA . 7382 1 404 . 1 1 34 34 THR CB C 13 72.668 0.294 . . . . . . 113 THR CB . 7382 1 405 . 1 1 34 34 THR CG2 C 13 23.849 0.196 . . . . . . 113 THR CG2 . 7382 1 406 . 1 1 34 34 THR N N 15 109.792 0.031 . . . . . . 113 THR N . 7382 1 407 . 1 1 35 35 THR H H 1 8.596 0.003 . . . . . . 114 THR H . 7382 1 408 . 1 1 35 35 THR HA H 1 4.370 0.006 . . . . . . 114 THR HA . 7382 1 409 . 1 1 35 35 THR HB H 1 4.128 0.018 . . . . . . 114 THR HB . 7382 1 410 . 1 1 35 35 THR HG21 H 1 0.945 0.009 . . . . . . 114 THR QG2 . 7382 1 411 . 1 1 35 35 THR HG22 H 1 0.945 0.009 . . . . . . 114 THR QG2 . 7382 1 412 . 1 1 35 35 THR HG23 H 1 0.945 0.009 . . . . . . 114 THR QG2 . 7382 1 413 . 1 1 35 35 THR C C 13 173.517 0.000 . . . . . . 114 THR C . 7382 1 414 . 1 1 35 35 THR CA C 13 61.362 0.144 . . . . . . 114 THR CA . 7382 1 415 . 1 1 35 35 THR CB C 13 68.164 0.135 . . . . . . 114 THR CB . 7382 1 416 . 1 1 35 35 THR CG2 C 13 23.655 0.161 . . . . . . 114 THR CG2 . 7382 1 417 . 1 1 35 35 THR N N 15 111.076 0.031 . . . . . . 114 THR N . 7382 1 418 . 1 1 36 36 PHE H H 1 7.304 0.005 . . . . . . 115 PHE H . 7382 1 419 . 1 1 36 36 PHE HA H 1 4.494 0.008 . . . . . . 115 PHE HA . 7382 1 420 . 1 1 36 36 PHE HB2 H 1 3.171 0.009 . . . . . . 115 PHE HB2 . 7382 1 421 . 1 1 36 36 PHE HB3 H 1 2.327 0.009 . . . . . . 115 PHE HB3 . 7382 1 422 . 1 1 36 36 PHE HD1 H 1 6.898 0.015 . . . . . . 115 PHE QD . 7382 1 423 . 1 1 36 36 PHE HD2 H 1 6.898 0.015 . . . . . . 115 PHE QD . 7382 1 424 . 1 1 36 36 PHE HE1 H 1 7.138 0.016 . . . . . . 115 PHE QE . 7382 1 425 . 1 1 36 36 PHE HE2 H 1 7.138 0.016 . . . . . . 115 PHE QE . 7382 1 426 . 1 1 36 36 PHE C C 13 170.543 0.000 . . . . . . 115 PHE C . 7382 1 427 . 1 1 36 36 PHE CA C 13 58.385 0.074 . . . . . . 115 PHE CA . 7382 1 428 . 1 1 36 36 PHE CB C 13 42.469 0.147 . . . . . . 115 PHE CB . 7382 1 429 . 1 1 36 36 PHE N N 15 121.467 0.033 . . . . . . 115 PHE N . 7382 1 430 . 1 1 37 37 SER H H 1 6.924 0.005 . . . . . . 116 SER H . 7382 1 431 . 1 1 37 37 SER HA H 1 5.013 0.005 . . . . . . 116 SER HA . 7382 1 432 . 1 1 37 37 SER HB2 H 1 3.746 0.010 . . . . . . 116 SER HB2 . 7382 1 433 . 1 1 37 37 SER HB3 H 1 3.672 0.003 . . . . . . 116 SER HB3 . 7382 1 434 . 1 1 37 37 SER C C 13 170.238 0.000 . . . . . . 116 SER C . 7382 1 435 . 1 1 37 37 SER CA C 13 56.366 0.099 . . . . . . 116 SER CA . 7382 1 436 . 1 1 37 37 SER CB C 13 66.280 0.100 . . . . . . 116 SER CB . 7382 1 437 . 1 1 37 37 SER N N 15 118.308 0.027 . . . . . . 116 SER N . 7382 1 438 . 1 1 38 38 SER H H 1 8.688 0.006 . . . . . . 117 SER H . 7382 1 439 . 1 1 38 38 SER HA H 1 4.497 0.014 . . . . . . 117 SER HA . 7382 1 440 . 1 1 38 38 SER HB2 H 1 3.569 0.006 . . . . . . 117 SER HB2 . 7382 1 441 . 1 1 38 38 SER HB3 H 1 3.748 0.007 . . . . . . 117 SER HB3 . 7382 1 442 . 1 1 38 38 SER C C 13 170.006 0.000 . . . . . . 117 SER C . 7382 1 443 . 1 1 38 38 SER CA C 13 57.938 0.033 . . . . . . 117 SER CA . 7382 1 444 . 1 1 38 38 SER CB C 13 65.846 0.180 . . . . . . 117 SER CB . 7382 1 445 . 1 1 38 38 SER N N 15 115.267 0.031 . . . . . . 117 SER N . 7382 1 446 . 1 1 39 39 VAL H H 1 8.306 0.010 . . . . . . 118 VAL H . 7382 1 447 . 1 1 39 39 VAL HA H 1 4.411 0.003 . . . . . . 118 VAL HA . 7382 1 448 . 1 1 39 39 VAL HB H 1 2.005 0.007 . . . . . . 118 VAL HB . 7382 1 449 . 1 1 39 39 VAL HG11 H 1 0.927 0.004 . . . . . . 118 VAL QG1 . 7382 1 450 . 1 1 39 39 VAL HG12 H 1 0.927 0.004 . . . . . . 118 VAL QG1 . 7382 1 451 . 1 1 39 39 VAL HG13 H 1 0.927 0.004 . . . . . . 118 VAL QG1 . 7382 1 452 . 1 1 39 39 VAL HG21 H 1 0.854 0.008 . . . . . . 118 VAL QG2 . 7382 1 453 . 1 1 39 39 VAL HG22 H 1 0.854 0.008 . . . . . . 118 VAL QG2 . 7382 1 454 . 1 1 39 39 VAL HG23 H 1 0.854 0.008 . . . . . . 118 VAL QG2 . 7382 1 455 . 1 1 39 39 VAL C C 13 173.243 0.000 . . . . . . 118 VAL C . 7382 1 456 . 1 1 39 39 VAL CA C 13 61.824 0.090 . . . . . . 118 VAL CA . 7382 1 457 . 1 1 39 39 VAL CB C 13 36.073 0.128 . . . . . . 118 VAL CB . 7382 1 458 . 1 1 39 39 VAL CG1 C 13 21.491 0.000 . . . . . . 118 VAL CG1 . 7382 1 459 . 1 1 39 39 VAL CG2 C 13 21.656 0.000 . . . . . . 118 VAL CG2 . 7382 1 460 . 1 1 39 39 VAL N N 15 118.406 0.066 . . . . . . 118 VAL N . 7382 1 461 . 1 1 40 40 ASN H H 1 8.378 0.006 . . . . . . 119 ASN H . 7382 1 462 . 1 1 40 40 ASN HA H 1 4.791 0.014 . . . . . . 119 ASN HA . 7382 1 463 . 1 1 40 40 ASN HB2 H 1 2.733 0.005 . . . . . . 119 ASN HB2 . 7382 1 464 . 1 1 40 40 ASN HB3 H 1 3.154 0.010 . . . . . . 119 ASN HB3 . 7382 1 465 . 1 1 40 40 ASN HD21 H 1 7.428 0.004 . . . . . . 119 ASN HD21 . 7382 1 466 . 1 1 40 40 ASN HD22 H 1 7.242 0.007 . . . . . . 119 ASN HD22 . 7382 1 467 . 1 1 40 40 ASN C C 13 173.813 0.000 . . . . . . 119 ASN C . 7382 1 468 . 1 1 40 40 ASN CA C 13 53.298 0.123 . . . . . . 119 ASN CA . 7382 1 469 . 1 1 40 40 ASN CB C 13 37.754 0.109 . . . . . . 119 ASN CB . 7382 1 470 . 1 1 40 40 ASN N N 15 123.671 0.033 . . . . . . 119 ASN N . 7382 1 471 . 1 1 40 40 ASN ND2 N 15 113.737 0.024 . . . . . . 119 ASN ND2 . 7382 1 472 . 1 1 41 41 THR H H 1 8.289 0.006 . . . . . . 120 THR H . 7382 1 473 . 1 1 41 41 THR HA H 1 4.189 0.016 . . . . . . 120 THR HA . 7382 1 474 . 1 1 41 41 THR HB H 1 4.404 0.006 . . . . . . 120 THR HB . 7382 1 475 . 1 1 41 41 THR HG21 H 1 1.298 0.005 . . . . . . 120 THR QG2 . 7382 1 476 . 1 1 41 41 THR HG22 H 1 1.298 0.005 . . . . . . 120 THR QG2 . 7382 1 477 . 1 1 41 41 THR HG23 H 1 1.298 0.005 . . . . . . 120 THR QG2 . 7382 1 478 . 1 1 41 41 THR C C 13 173.063 0.000 . . . . . . 120 THR C . 7382 1 479 . 1 1 41 41 THR CA C 13 62.404 0.068 . . . . . . 120 THR CA . 7382 1 480 . 1 1 41 41 THR CB C 13 68.976 0.120 . . . . . . 120 THR CB . 7382 1 481 . 1 1 41 41 THR CG2 C 13 22.190 0.167 . . . . . . 120 THR CG2 . 7382 1 482 . 1 1 41 41 THR N N 15 116.622 0.035 . . . . . . 120 THR N . 7382 1 483 . 1 1 42 42 ARG H H 1 8.181 0.006 . . . . . . 121 ARG H . 7382 1 484 . 1 1 42 42 ARG HA H 1 4.217 0.005 . . . . . . 121 ARG HA . 7382 1 485 . 1 1 42 42 ARG HB2 H 1 1.821 0.008 . . . . . . 121 ARG QB . 7382 1 486 . 1 1 42 42 ARG HB3 H 1 1.821 0.008 . . . . . . 121 ARG QB . 7382 1 487 . 1 1 42 42 ARG HD2 H 1 3.182 0.006 . . . . . . 121 ARG QD . 7382 1 488 . 1 1 42 42 ARG HD3 H 1 3.182 0.006 . . . . . . 121 ARG QD . 7382 1 489 . 1 1 42 42 ARG HG2 H 1 1.670 0.002 . . . . . . 121 ARG HG2 . 7382 1 490 . 1 1 42 42 ARG HG3 H 1 1.570 0.006 . . . . . . 121 ARG HG3 . 7382 1 491 . 1 1 42 42 ARG C C 13 174.333 0.000 . . . . . . 121 ARG C . 7382 1 492 . 1 1 42 42 ARG CA C 13 57.834 0.098 . . . . . . 121 ARG CA . 7382 1 493 . 1 1 42 42 ARG CB C 13 30.582 0.166 . . . . . . 121 ARG CB . 7382 1 494 . 1 1 42 42 ARG CD C 13 43.174 0.000 . . . . . . 121 ARG CD . 7382 1 495 . 1 1 42 42 ARG CG C 13 28.642 0.032 . . . . . . 121 ARG CG . 7382 1 496 . 1 1 42 42 ARG N N 15 123.437 0.020 . . . . . . 121 ARG N . 7382 1 497 . 1 1 43 43 ASP H H 1 7.832 0.004 . . . . . . 122 ASP H . 7382 1 498 . 1 1 43 43 ASP HA H 1 4.605 0.006 . . . . . . 122 ASP HA . 7382 1 499 . 1 1 43 43 ASP HB2 H 1 2.387 0.007 . . . . . . 122 ASP HB2 . 7382 1 500 . 1 1 43 43 ASP HB3 H 1 2.613 0.007 . . . . . . 122 ASP HB3 . 7382 1 501 . 1 1 43 43 ASP C C 13 173.104 0.000 . . . . . . 122 ASP C . 7382 1 502 . 1 1 43 43 ASP CA C 13 53.775 0.022 . . . . . . 122 ASP CA . 7382 1 503 . 1 1 43 43 ASP CB C 13 41.199 0.084 . . . . . . 122 ASP CB . 7382 1 504 . 1 1 43 43 ASP N N 15 118.758 0.152 . . . . . . 122 ASP N . 7382 1 505 . 1 1 44 44 PHE H H 1 7.831 0.002 . . . . . . 123 PHE H . 7382 1 506 . 1 1 44 44 PHE HA H 1 4.400 0.006 . . . . . . 123 PHE HA . 7382 1 507 . 1 1 44 44 PHE HB2 H 1 3.109 0.005 . . . . . . 123 PHE HB2 . 7382 1 508 . 1 1 44 44 PHE HB3 H 1 3.105 0.000 . . . . . . 123 PHE HB3 . 7382 1 509 . 1 1 44 44 PHE HD1 H 1 7.335 0.007 . . . . . . 123 PHE QD . 7382 1 510 . 1 1 44 44 PHE HD2 H 1 7.335 0.007 . . . . . . 123 PHE QD . 7382 1 511 . 1 1 44 44 PHE C C 13 174.070 0.000 . . . . . . 123 PHE C . 7382 1 512 . 1 1 44 44 PHE CA C 13 59.726 0.116 . . . . . . 123 PHE CA . 7382 1 513 . 1 1 44 44 PHE CB C 13 38.710 0.134 . . . . . . 123 PHE CB . 7382 1 514 . 1 1 44 44 PHE N N 15 119.039 0.030 . . . . . . 123 PHE N . 7382 1 515 . 1 1 45 45 ASP H H 1 7.942 0.008 . . . . . . 124 ASP H . 7382 1 516 . 1 1 45 45 ASP HA H 1 4.395 0.013 . . . . . . 124 ASP HA . 7382 1 517 . 1 1 45 45 ASP HB2 H 1 2.466 0.017 . . . . . . 124 ASP HB2 . 7382 1 518 . 1 1 45 45 ASP HB3 H 1 2.986 0.006 . . . . . . 124 ASP HB3 . 7382 1 519 . 1 1 45 45 ASP C C 13 175.252 0.000 . . . . . . 124 ASP C . 7382 1 520 . 1 1 45 45 ASP CB C 13 41.249 0.072 . . . . . . 124 ASP CB . 7382 1 521 . 1 1 45 45 ASP N N 15 123.170 0.136 . . . . . . 124 ASP N . 7382 1 522 . 1 1 46 46 GLY H H 1 6.992 0.006 . . . . . . 125 GLY H . 7382 1 523 . 1 1 46 46 GLY HA2 H 1 3.691 0.008 . . . . . . 125 GLY HA2 . 7382 1 524 . 1 1 46 46 GLY HA3 H 1 4.133 0.006 . . . . . . 125 GLY HA3 . 7382 1 525 . 1 1 46 46 GLY C C 13 171.291 0.000 . . . . . . 125 GLY C . 7382 1 526 . 1 1 46 46 GLY CA C 13 46.419 0.144 . . . . . . 125 GLY CA . 7382 1 527 . 1 1 46 46 GLY N N 15 107.810 0.019 . . . . . . 125 GLY N . 7382 1 528 . 1 1 47 47 THR H H 1 7.718 0.004 . . . . . . 126 THR H . 7382 1 529 . 1 1 47 47 THR HA H 1 5.645 0.005 . . . . . . 126 THR HA . 7382 1 530 . 1 1 47 47 THR HB H 1 4.251 0.008 . . . . . . 126 THR HB . 7382 1 531 . 1 1 47 47 THR HG21 H 1 1.151 0.008 . . . . . . 126 THR QG2 . 7382 1 532 . 1 1 47 47 THR HG22 H 1 1.151 0.008 . . . . . . 126 THR QG2 . 7382 1 533 . 1 1 47 47 THR HG23 H 1 1.151 0.008 . . . . . . 126 THR QG2 . 7382 1 534 . 1 1 47 47 THR C C 13 173.511 0.000 . . . . . . 126 THR C . 7382 1 535 . 1 1 47 47 THR CA C 13 60.301 0.092 . . . . . . 126 THR CA . 7382 1 536 . 1 1 47 47 THR CB C 13 72.722 0.290 . . . . . . 126 THR CB . 7382 1 537 . 1 1 47 47 THR CG2 C 13 21.774 0.172 . . . . . . 126 THR CG2 . 7382 1 538 . 1 1 47 47 THR N N 15 109.107 0.016 . . . . . . 126 THR N . 7382 1 539 . 1 1 48 48 GLY H H 1 8.495 0.006 . . . . . . 127 GLY H . 7382 1 540 . 1 1 48 48 GLY HA2 H 1 4.513 0.006 . . . . . . 127 GLY HA2 . 7382 1 541 . 1 1 48 48 GLY HA3 H 1 3.880 0.005 . . . . . . 127 GLY HA3 . 7382 1 542 . 1 1 48 48 GLY C C 13 169.621 0.000 . . . . . . 127 GLY C . 7382 1 543 . 1 1 48 48 GLY CA C 13 45.869 0.146 . . . . . . 127 GLY CA . 7382 1 544 . 1 1 48 48 GLY N N 15 108.037 0.040 . . . . . . 127 GLY N . 7382 1 545 . 1 1 49 49 ALA H H 1 9.225 0.004 . . . . . . 128 ALA H . 7382 1 546 . 1 1 49 49 ALA HA H 1 5.343 0.006 . . . . . . 128 ALA HA . 7382 1 547 . 1 1 49 49 ALA HB1 H 1 1.360 0.016 . . . . . . 128 ALA QB . 7382 1 548 . 1 1 49 49 ALA HB2 H 1 1.360 0.016 . . . . . . 128 ALA QB . 7382 1 549 . 1 1 49 49 ALA HB3 H 1 1.360 0.016 . . . . . . 128 ALA QB . 7382 1 550 . 1 1 49 49 ALA C C 13 173.268 0.000 . . . . . . 128 ALA C . 7382 1 551 . 1 1 49 49 ALA CA C 13 52.116 0.072 . . . . . . 128 ALA CA . 7382 1 552 . 1 1 49 49 ALA CB C 13 22.669 0.105 . . . . . . 128 ALA CB . 7382 1 553 . 1 1 49 49 ALA N N 15 123.600 0.024 . . . . . . 128 ALA N . 7382 1 554 . 1 1 50 50 LEU H H 1 7.883 0.008 . . . . . . 129 LEU H . 7382 1 555 . 1 1 50 50 LEU HA H 1 4.866 0.005 . . . . . . 129 LEU HA . 7382 1 556 . 1 1 50 50 LEU HB2 H 1 1.346 0.013 . . . . . . 129 LEU HB2 . 7382 1 557 . 1 1 50 50 LEU HB3 H 1 0.881 0.018 . . . . . . 129 LEU HB3 . 7382 1 558 . 1 1 50 50 LEU HD11 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 559 . 1 1 50 50 LEU HD12 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 560 . 1 1 50 50 LEU HD13 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 561 . 1 1 50 50 LEU HD21 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 562 . 1 1 50 50 LEU HD22 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 563 . 1 1 50 50 LEU HD23 H 1 0.802 0.010 . . . . . . 129 LEU QQD . 7382 1 564 . 1 1 50 50 LEU HG H 1 1.642 0.006 . . . . . . 129 LEU HG . 7382 1 565 . 1 1 50 50 LEU C C 13 172.955 0.000 . . . . . . 129 LEU C . 7382 1 566 . 1 1 50 50 LEU CA C 13 53.605 0.000 . . . . . . 129 LEU CA . 7382 1 567 . 1 1 50 50 LEU CB C 13 49.152 0.158 . . . . . . 129 LEU CB . 7382 1 568 . 1 1 50 50 LEU N N 15 117.306 0.022 . . . . . . 129 LEU N . 7382 1 569 . 1 1 51 51 GLU H H 1 7.922 0.003 . . . . . . 130 GLU H . 7382 1 570 . 1 1 51 51 GLU HA H 1 5.342 0.011 . . . . . . 130 GLU HA . 7382 1 571 . 1 1 51 51 GLU HB2 H 1 2.094 0.011 . . . . . . 130 GLU HB2 . 7382 1 572 . 1 1 51 51 GLU HB3 H 1 1.746 0.017 . . . . . . 130 GLU HB3 . 7382 1 573 . 1 1 51 51 GLU HG2 H 1 2.314 0.015 . . . . . . 130 GLU HG2 . 7382 1 574 . 1 1 51 51 GLU HG3 H 1 1.983 0.013 . . . . . . 130 GLU HG3 . 7382 1 575 . 1 1 51 51 GLU C C 13 173.550 0.000 . . . . . . 130 GLU C . 7382 1 576 . 1 1 51 51 GLU CA C 13 53.905 0.059 . . . . . . 130 GLU CA . 7382 1 577 . 1 1 51 51 GLU CB C 13 32.602 0.187 . . . . . . 130 GLU CB . 7382 1 578 . 1 1 51 51 GLU N N 15 116.564 0.029 . . . . . . 130 GLU N . 7382 1 579 . 1 1 52 52 PHE H H 1 8.649 0.005 . . . . . . 131 PHE H . 7382 1 580 . 1 1 52 52 PHE HA H 1 5.297 0.007 . . . . . . 131 PHE HA . 7382 1 581 . 1 1 52 52 PHE HB2 H 1 3.376 0.010 . . . . . . 131 PHE HB2 . 7382 1 582 . 1 1 52 52 PHE HB3 H 1 2.558 0.015 . . . . . . 131 PHE HB3 . 7382 1 583 . 1 1 52 52 PHE HZ H 1 8.333 0.000 . . . . . . 131 PHE HZ . 7382 1 584 . 1 1 52 52 PHE CA C 13 55.683 0.114 . . . . . . 131 PHE CA . 7382 1 585 . 1 1 52 52 PHE CB C 13 42.151 0.120 . . . . . . 131 PHE CB . 7382 1 586 . 1 1 52 52 PHE N N 15 118.334 0.022 . . . . . . 131 PHE N . 7382 1 587 . 1 1 53 53 PRO HA H 1 4.565 0.015 . . . . . . 132 PRO HA . 7382 1 588 . 1 1 53 53 PRO HB2 H 1 2.345 0.004 . . . . . . 132 PRO HB2 . 7382 1 589 . 1 1 53 53 PRO HB3 H 1 2.003 0.006 . . . . . . 132 PRO HB3 . 7382 1 590 . 1 1 53 53 PRO HD2 H 1 3.209 0.007 . . . . . . 132 PRO HD2 . 7382 1 591 . 1 1 53 53 PRO HD3 H 1 2.864 0.015 . . . . . . 132 PRO HD3 . 7382 1 592 . 1 1 53 53 PRO HG2 H 1 2.015 0.005 . . . . . . 132 PRO HG2 . 7382 1 593 . 1 1 53 53 PRO HG3 H 1 1.893 0.000 . . . . . . 132 PRO HG3 . 7382 1 594 . 1 1 53 53 PRO C C 13 173.419 0.000 . . . . . . 132 PRO C . 7382 1 595 . 1 1 53 53 PRO CA C 13 64.059 0.044 . . . . . . 132 PRO CA . 7382 1 596 . 1 1 53 53 PRO CB C 13 32.789 0.172 . . . . . . 132 PRO CB . 7382 1 597 . 1 1 53 53 PRO CG C 13 27.411 0.080 . . . . . . 132 PRO CG . 7382 1 598 . 1 1 54 54 SER H H 1 6.825 0.010 . . . . . . 133 SER H . 7382 1 599 . 1 1 54 54 SER HA H 1 4.187 0.010 . . . . . . 133 SER HA . 7382 1 600 . 1 1 54 54 SER HB2 H 1 4.016 0.006 . . . . . . 133 SER HB2 . 7382 1 601 . 1 1 54 54 SER HB3 H 1 3.703 0.008 . . . . . . 133 SER HB3 . 7382 1 602 . 1 1 54 54 SER C C 13 170.427 0.000 . . . . . . 133 SER C . 7382 1 603 . 1 1 54 54 SER CA C 13 55.687 0.131 . . . . . . 133 SER CA . 7382 1 604 . 1 1 54 54 SER CB C 13 66.528 0.161 . . . . . . 133 SER CB . 7382 1 605 . 1 1 54 54 SER N N 15 107.742 0.040 . . . . . . 133 SER N . 7382 1 606 . 1 1 55 55 GLU H H 1 7.998 0.006 . . . . . . 134 GLU H . 7382 1 607 . 1 1 55 55 GLU HA H 1 4.164 0.026 . . . . . . 134 GLU HA . 7382 1 608 . 1 1 55 55 GLU HB2 H 1 1.611 0.011 . . . . . . 134 GLU HB2 . 7382 1 609 . 1 1 55 55 GLU HB3 H 1 1.835 0.010 . . . . . . 134 GLU HB3 . 7382 1 610 . 1 1 55 55 GLU HG2 H 1 2.290 0.014 . . . . . . 134 GLU HG2 . 7382 1 611 . 1 1 55 55 GLU HG3 H 1 2.032 0.023 . . . . . . 134 GLU HG3 . 7382 1 612 . 1 1 55 55 GLU C C 13 175.211 0.000 . . . . . . 134 GLU C . 7382 1 613 . 1 1 55 55 GLU CA C 13 58.307 0.186 . . . . . . 134 GLU CA . 7382 1 614 . 1 1 55 55 GLU CB C 13 29.608 0.093 . . . . . . 134 GLU CB . 7382 1 615 . 1 1 55 55 GLU N N 15 122.407 0.043 . . . . . . 134 GLU N . 7382 1 616 . 1 1 56 56 GLU H H 1 8.483 0.004 . . . . . . 135 GLU H . 7382 1 617 . 1 1 56 56 GLU HA H 1 3.768 0.007 . . . . . . 135 GLU HA . 7382 1 618 . 1 1 56 56 GLU HB2 H 1 1.806 0.007 . . . . . . 135 GLU HB2 . 7382 1 619 . 1 1 56 56 GLU HB3 H 1 1.943 0.012 . . . . . . 135 GLU HB3 . 7382 1 620 . 1 1 56 56 GLU HG2 H 1 2.148 0.011 . . . . . . 135 GLU HG2 . 7382 1 621 . 1 1 56 56 GLU HG3 H 1 2.321 0.009 . . . . . . 135 GLU HG3 . 7382 1 622 . 1 1 56 56 GLU C C 13 177.418 0.000 . . . . . . 135 GLU C . 7382 1 623 . 1 1 56 56 GLU CA C 13 60.505 0.161 . . . . . . 135 GLU CA . 7382 1 624 . 1 1 56 56 GLU CB C 13 29.158 0.154 . . . . . . 135 GLU CB . 7382 1 625 . 1 1 56 56 GLU CG C 13 37.292 0.007 . . . . . . 135 GLU CG . 7382 1 626 . 1 1 56 56 GLU N N 15 117.184 0.014 . . . . . . 135 GLU N . 7382 1 627 . 1 1 57 57 ILE H H 1 7.256 0.007 . . . . . . 136 ILE H . 7382 1 628 . 1 1 57 57 ILE HA H 1 3.645 0.007 . . . . . . 136 ILE HA . 7382 1 629 . 1 1 57 57 ILE HB H 1 1.496 0.011 . . . . . . 136 ILE HB . 7382 1 630 . 1 1 57 57 ILE HD11 H 1 0.926 0.007 . . . . . . 136 ILE QD1 . 7382 1 631 . 1 1 57 57 ILE HD12 H 1 0.926 0.007 . . . . . . 136 ILE QD1 . 7382 1 632 . 1 1 57 57 ILE HD13 H 1 0.926 0.007 . . . . . . 136 ILE QD1 . 7382 1 633 . 1 1 57 57 ILE HG12 H 1 1.120 0.015 . . . . . . 136 ILE QG1 . 7382 1 634 . 1 1 57 57 ILE HG13 H 1 1.120 0.015 . . . . . . 136 ILE QG1 . 7382 1 635 . 1 1 57 57 ILE HG21 H 1 1.059 0.009 . . . . . . 136 ILE QG2 . 7382 1 636 . 1 1 57 57 ILE HG22 H 1 1.059 0.009 . . . . . . 136 ILE QG2 . 7382 1 637 . 1 1 57 57 ILE HG23 H 1 1.059 0.009 . . . . . . 136 ILE QG2 . 7382 1 638 . 1 1 57 57 ILE C C 13 174.511 0.000 . . . . . . 136 ILE C . 7382 1 639 . 1 1 57 57 ILE CA C 13 64.441 0.092 . . . . . . 136 ILE CA . 7382 1 640 . 1 1 57 57 ILE CB C 13 38.646 0.124 . . . . . . 136 ILE CB . 7382 1 641 . 1 1 57 57 ILE CD1 C 13 14.021 0.165 . . . . . . 136 ILE CD1 . 7382 1 642 . 1 1 57 57 ILE CG1 C 13 29.600 0.177 . . . . . . 136 ILE CG1 . 7382 1 643 . 1 1 57 57 ILE CG2 C 13 19.113 0.095 . . . . . . 136 ILE CG2 . 7382 1 644 . 1 1 57 57 ILE N N 15 119.520 0.046 . . . . . . 136 ILE N . 7382 1 645 . 1 1 58 58 LEU H H 1 7.115 0.007 . . . . . . 137 LEU H . 7382 1 646 . 1 1 58 58 LEU HA H 1 3.120 0.007 . . . . . . 137 LEU HA . 7382 1 647 . 1 1 58 58 LEU HB2 H 1 2.126 0.010 . . . . . . 137 LEU HB2 . 7382 1 648 . 1 1 58 58 LEU HB3 H 1 1.474 0.009 . . . . . . 137 LEU HB3 . 7382 1 649 . 1 1 58 58 LEU HD11 H 1 0.981 0.009 . . . . . . 137 LEU QD1 . 7382 1 650 . 1 1 58 58 LEU HD12 H 1 0.981 0.009 . . . . . . 137 LEU QD1 . 7382 1 651 . 1 1 58 58 LEU HD13 H 1 0.981 0.009 . . . . . . 137 LEU QD1 . 7382 1 652 . 1 1 58 58 LEU HD21 H 1 0.916 0.006 . . . . . . 137 LEU QD2 . 7382 1 653 . 1 1 58 58 LEU HD22 H 1 0.916 0.006 . . . . . . 137 LEU QD2 . 7382 1 654 . 1 1 58 58 LEU HD23 H 1 0.916 0.006 . . . . . . 137 LEU QD2 . 7382 1 655 . 1 1 58 58 LEU HG H 1 0.962 0.023 . . . . . . 137 LEU HG . 7382 1 656 . 1 1 58 58 LEU C C 13 175.598 0.000 . . . . . . 137 LEU C . 7382 1 657 . 1 1 58 58 LEU CA C 13 59.113 0.126 . . . . . . 137 LEU CA . 7382 1 658 . 1 1 58 58 LEU CB C 13 41.413 0.132 . . . . . . 137 LEU CB . 7382 1 659 . 1 1 58 58 LEU CG C 13 26.609 0.066 . . . . . . 137 LEU CG . 7382 1 660 . 1 1 58 58 LEU N N 15 122.022 0.032 . . . . . . 137 LEU N . 7382 1 661 . 1 1 59 59 VAL H H 1 8.330 0.008 . . . . . . 138 VAL H . 7382 1 662 . 1 1 59 59 VAL HA H 1 3.378 0.005 . . . . . . 138 VAL HA . 7382 1 663 . 1 1 59 59 VAL HB H 1 1.999 0.007 . . . . . . 138 VAL HB . 7382 1 664 . 1 1 59 59 VAL HG11 H 1 0.870 0.006 . . . . . . 138 VAL QG1 . 7382 1 665 . 1 1 59 59 VAL HG12 H 1 0.870 0.006 . . . . . . 138 VAL QG1 . 7382 1 666 . 1 1 59 59 VAL HG13 H 1 0.870 0.006 . . . . . . 138 VAL QG1 . 7382 1 667 . 1 1 59 59 VAL HG21 H 1 0.984 0.004 . . . . . . 138 VAL QG2 . 7382 1 668 . 1 1 59 59 VAL HG22 H 1 0.984 0.004 . . . . . . 138 VAL QG2 . 7382 1 669 . 1 1 59 59 VAL HG23 H 1 0.984 0.004 . . . . . . 138 VAL QG2 . 7382 1 670 . 1 1 59 59 VAL C C 13 177.234 0.000 . . . . . . 138 VAL C . 7382 1 671 . 1 1 59 59 VAL CA C 13 67.246 0.171 . . . . . . 138 VAL CA . 7382 1 672 . 1 1 59 59 VAL CB C 13 31.824 0.125 . . . . . . 138 VAL CB . 7382 1 673 . 1 1 59 59 VAL CG1 C 13 21.170 0.143 . . . . . . 138 VAL CG1 . 7382 1 674 . 1 1 59 59 VAL CG2 C 13 23.137 0.205 . . . . . . 138 VAL CG2 . 7382 1 675 . 1 1 59 59 VAL N N 15 118.257 0.018 . . . . . . 138 VAL N . 7382 1 676 . 1 1 60 60 GLU H H 1 7.203 0.005 . . . . . . 139 GLU H . 7382 1 677 . 1 1 60 60 GLU HA H 1 4.001 0.014 . . . . . . 139 GLU HA . 7382 1 678 . 1 1 60 60 GLU HB2 H 1 2.076 0.015 . . . . . . 139 GLU HB2 . 7382 1 679 . 1 1 60 60 GLU HB3 H 1 1.785 0.013 . . . . . . 139 GLU HB3 . 7382 1 680 . 1 1 60 60 GLU HG2 H 1 2.012 0.000 . . . . . . 139 GLU HG2 . 7382 1 681 . 1 1 60 60 GLU HG3 H 1 2.354 0.007 . . . . . . 139 GLU HG3 . 7382 1 682 . 1 1 60 60 GLU C C 13 176.704 0.000 . . . . . . 139 GLU C . 7382 1 683 . 1 1 60 60 GLU CA C 13 59.138 0.050 . . . . . . 139 GLU CA . 7382 1 684 . 1 1 60 60 GLU CB C 13 29.381 0.234 . . . . . . 139 GLU CB . 7382 1 685 . 1 1 60 60 GLU N N 15 120.326 0.038 . . . . . . 139 GLU N . 7382 1 686 . 1 1 61 61 ALA H H 1 8.437 0.005 . . . . . . 140 ALA H . 7382 1 687 . 1 1 61 61 ALA HA H 1 3.605 0.006 . . . . . . 140 ALA HA . 7382 1 688 . 1 1 61 61 ALA HB1 H 1 0.893 0.006 . . . . . . 140 ALA QB . 7382 1 689 . 1 1 61 61 ALA HB2 H 1 0.893 0.006 . . . . . . 140 ALA QB . 7382 1 690 . 1 1 61 61 ALA HB3 H 1 0.893 0.006 . . . . . . 140 ALA QB . 7382 1 691 . 1 1 61 61 ALA C C 13 171.171 0.000 . . . . . . 140 ALA C . 7382 1 692 . 1 1 61 61 ALA CA C 13 55.537 0.172 . . . . . . 140 ALA CA . 7382 1 693 . 1 1 61 61 ALA CB C 13 20.744 0.122 . . . . . . 140 ALA CB . 7382 1 694 . 1 1 61 61 ALA N N 15 123.066 0.042 . . . . . . 140 ALA N . 7382 1 695 . 1 1 62 62 LEU H H 1 8.115 0.009 . . . . . . 141 LEU H . 7382 1 696 . 1 1 62 62 LEU HA H 1 3.739 0.004 . . . . . . 141 LEU HA . 7382 1 697 . 1 1 62 62 LEU HB2 H 1 1.390 0.007 . . . . . . 141 LEU HB2 . 7382 1 698 . 1 1 62 62 LEU HB3 H 1 1.895 0.020 . . . . . . 141 LEU HB3 . 7382 1 699 . 1 1 62 62 LEU HD11 H 1 0.871 0.013 . . . . . . 141 LEU QD1 . 7382 1 700 . 1 1 62 62 LEU HD12 H 1 0.871 0.013 . . . . . . 141 LEU QD1 . 7382 1 701 . 1 1 62 62 LEU HD13 H 1 0.871 0.013 . . . . . . 141 LEU QD1 . 7382 1 702 . 1 1 62 62 LEU HD21 H 1 0.721 0.008 . . . . . . 141 LEU QD2 . 7382 1 703 . 1 1 62 62 LEU HD22 H 1 0.721 0.008 . . . . . . 141 LEU QD2 . 7382 1 704 . 1 1 62 62 LEU HD23 H 1 0.721 0.008 . . . . . . 141 LEU QD2 . 7382 1 705 . 1 1 62 62 LEU HG H 1 1.630 0.005 . . . . . . 141 LEU HG . 7382 1 706 . 1 1 62 62 LEU C C 13 176.829 0.000 . . . . . . 141 LEU C . 7382 1 707 . 1 1 62 62 LEU CA C 13 57.869 0.091 . . . . . . 141 LEU CA . 7382 1 708 . 1 1 62 62 LEU CB C 13 41.819 0.164 . . . . . . 141 LEU CB . 7382 1 709 . 1 1 62 62 LEU N N 15 116.546 0.028 . . . . . . 141 LEU N . 7382 1 710 . 1 1 63 63 GLU H H 1 7.125 0.007 . . . . . . 142 GLU H . 7382 1 711 . 1 1 63 63 GLU HA H 1 4.143 0.004 . . . . . . 142 GLU HA . 7382 1 712 . 1 1 63 63 GLU HB2 H 1 2.084 0.008 . . . . . . 142 GLU QB . 7382 1 713 . 1 1 63 63 GLU HB3 H 1 2.084 0.008 . . . . . . 142 GLU QB . 7382 1 714 . 1 1 63 63 GLU HG2 H 1 2.177 0.003 . . . . . . 142 GLU HG2 . 7382 1 715 . 1 1 63 63 GLU HG3 H 1 2.325 0.005 . . . . . . 142 GLU HG3 . 7382 1 716 . 1 1 63 63 GLU C C 13 176.824 0.000 . . . . . . 142 GLU C . 7382 1 717 . 1 1 63 63 GLU CA C 13 58.386 0.195 . . . . . . 142 GLU CA . 7382 1 718 . 1 1 63 63 GLU CB C 13 30.341 0.052 . . . . . . 142 GLU CB . 7382 1 719 . 1 1 63 63 GLU CG C 13 36.343 0.144 . . . . . . 142 GLU CG . 7382 1 720 . 1 1 63 63 GLU N N 15 115.902 0.014 . . . . . . 142 GLU N . 7382 1 721 . 1 1 64 64 ARG H H 1 8.486 0.006 . . . . . . 143 ARG H . 7382 1 722 . 1 1 64 64 ARG HA H 1 4.143 0.009 . . . . . . 143 ARG HA . 7382 1 723 . 1 1 64 64 ARG HB2 H 1 1.750 0.007 . . . . . . 143 ARG QB . 7382 1 724 . 1 1 64 64 ARG HB3 H 1 1.750 0.007 . . . . . . 143 ARG QB . 7382 1 725 . 1 1 64 64 ARG HD2 H 1 2.985 0.008 . . . . . . 143 ARG HD2 . 7382 1 726 . 1 1 64 64 ARG HD3 H 1 3.369 0.015 . . . . . . 143 ARG HD3 . 7382 1 727 . 1 1 64 64 ARG HG2 H 1 1.625 0.010 . . . . . . 143 ARG QG . 7382 1 728 . 1 1 64 64 ARG HG3 H 1 1.625 0.010 . . . . . . 143 ARG QG . 7382 1 729 . 1 1 64 64 ARG C C 13 175.651 0.000 . . . . . . 143 ARG C . 7382 1 730 . 1 1 64 64 ARG CA C 13 58.574 0.141 . . . . . . 143 ARG CA . 7382 1 731 . 1 1 64 64 ARG CB C 13 32.099 0.000 . . . . . . 143 ARG CB . 7382 1 732 . 1 1 64 64 ARG CD C 13 43.779 0.168 . . . . . . 143 ARG CD . 7382 1 733 . 1 1 64 64 ARG CG C 13 28.015 0.000 . . . . . . 143 ARG CG . 7382 1 734 . 1 1 64 64 ARG N N 15 116.519 0.078 . . . . . . 143 ARG N . 7382 1 735 . 1 1 65 65 LEU H H 1 8.275 0.006 . . . . . . 144 LEU H . 7382 1 736 . 1 1 65 65 LEU HA H 1 4.345 0.005 . . . . . . 144 LEU HA . 7382 1 737 . 1 1 65 65 LEU HB2 H 1 1.716 0.014 . . . . . . 144 LEU HB2 . 7382 1 738 . 1 1 65 65 LEU HB3 H 1 1.290 0.008 . . . . . . 144 LEU HB3 . 7382 1 739 . 1 1 65 65 LEU HD11 H 1 0.633 0.007 . . . . . . 144 LEU QD1 . 7382 1 740 . 1 1 65 65 LEU HD12 H 1 0.633 0.007 . . . . . . 144 LEU QD1 . 7382 1 741 . 1 1 65 65 LEU HD13 H 1 0.633 0.007 . . . . . . 144 LEU QD1 . 7382 1 742 . 1 1 65 65 LEU HD21 H 1 0.490 0.017 . . . . . . 144 LEU QD2 . 7382 1 743 . 1 1 65 65 LEU HD22 H 1 0.490 0.017 . . . . . . 144 LEU QD2 . 7382 1 744 . 1 1 65 65 LEU HD23 H 1 0.490 0.017 . . . . . . 144 LEU QD2 . 7382 1 745 . 1 1 65 65 LEU HG H 1 1.539 0.005 . . . . . . 144 LEU HG . 7382 1 746 . 1 1 65 65 LEU C C 13 172.969 0.000 . . . . . . 144 LEU C . 7382 1 747 . 1 1 65 65 LEU CA C 13 54.301 0.058 . . . . . . 144 LEU CA . 7382 1 748 . 1 1 65 65 LEU CB C 13 42.415 0.167 . . . . . . 144 LEU CB . 7382 1 749 . 1 1 65 65 LEU CD1 C 13 26.308 0.120 . . . . . . 144 LEU CD1 . 7382 1 750 . 1 1 65 65 LEU CD2 C 13 22.316 0.184 . . . . . . 144 LEU CD2 . 7382 1 751 . 1 1 65 65 LEU CG C 13 27.038 0.086 . . . . . . 144 LEU CG . 7382 1 752 . 1 1 65 65 LEU N N 15 112.156 0.028 . . . . . . 144 LEU N . 7382 1 753 . 1 1 66 66 ASN H H 1 6.569 0.004 . . . . . . 145 ASN H . 7382 1 754 . 1 1 66 66 ASN HA H 1 4.544 0.011 . . . . . . 145 ASN HA . 7382 1 755 . 1 1 66 66 ASN HB2 H 1 2.829 0.007 . . . . . . 145 ASN HB2 . 7382 1 756 . 1 1 66 66 ASN HB3 H 1 2.886 0.014 . . . . . . 145 ASN HB3 . 7382 1 757 . 1 1 66 66 ASN HD21 H 1 6.795 0.010 . . . . . . 145 ASN HD21 . 7382 1 758 . 1 1 66 66 ASN HD22 H 1 7.617 0.004 . . . . . . 145 ASN HD22 . 7382 1 759 . 1 1 66 66 ASN C C 13 173.931 0.000 . . . . . . 145 ASN C . 7382 1 760 . 1 1 66 66 ASN CA C 13 54.466 0.034 . . . . . . 145 ASN CA . 7382 1 761 . 1 1 66 66 ASN CB C 13 39.438 0.149 . . . . . . 145 ASN CB . 7382 1 762 . 1 1 66 66 ASN N N 15 113.256 0.035 . . . . . . 145 ASN N . 7382 1 763 . 1 1 66 66 ASN ND2 N 15 112.357 0.036 . . . . . . 145 ASN ND2 . 7382 1 764 . 1 1 67 67 ASN H H 1 8.712 0.008 . . . . . . 146 ASN H . 7382 1 765 . 1 1 67 67 ASN HA H 1 4.365 0.006 . . . . . . 146 ASN HA . 7382 1 766 . 1 1 67 67 ASN HB2 H 1 2.863 0.020 . . . . . . 146 ASN HB2 . 7382 1 767 . 1 1 67 67 ASN HB3 H 1 2.901 0.005 . . . . . . 146 ASN HB3 . 7382 1 768 . 1 1 67 67 ASN HD21 H 1 7.448 0.003 . . . . . . 146 ASN HD21 . 7382 1 769 . 1 1 67 67 ASN HD22 H 1 6.607 0.005 . . . . . . 146 ASN HD22 . 7382 1 770 . 1 1 67 67 ASN C C 13 172.561 0.000 . . . . . . 146 ASN C . 7382 1 771 . 1 1 67 67 ASN CA C 13 55.019 0.160 . . . . . . 146 ASN CA . 7382 1 772 . 1 1 67 67 ASN CB C 13 37.139 0.140 . . . . . . 146 ASN CB . 7382 1 773 . 1 1 67 67 ASN N N 15 121.499 0.022 . . . . . . 146 ASN N . 7382 1 774 . 1 1 67 67 ASN ND2 N 15 112.989 0.137 . . . . . . 146 ASN ND2 . 7382 1 775 . 1 1 68 68 ILE H H 1 7.088 0.006 . . . . . . 147 ILE H . 7382 1 776 . 1 1 68 68 ILE HA H 1 4.416 0.010 . . . . . . 147 ILE HA . 7382 1 777 . 1 1 68 68 ILE HB H 1 1.773 0.003 . . . . . . 147 ILE HB . 7382 1 778 . 1 1 68 68 ILE HD11 H 1 0.848 0.012 . . . . . . 147 ILE QD1 . 7382 1 779 . 1 1 68 68 ILE HD12 H 1 0.848 0.012 . . . . . . 147 ILE QD1 . 7382 1 780 . 1 1 68 68 ILE HD13 H 1 0.848 0.012 . . . . . . 147 ILE QD1 . 7382 1 781 . 1 1 68 68 ILE HG12 H 1 1.355 0.012 . . . . . . 147 ILE HG12 . 7382 1 782 . 1 1 68 68 ILE HG13 H 1 1.204 0.016 . . . . . . 147 ILE HG13 . 7382 1 783 . 1 1 68 68 ILE HG21 H 1 0.818 0.009 . . . . . . 147 ILE QG2 . 7382 1 784 . 1 1 68 68 ILE HG22 H 1 0.818 0.009 . . . . . . 147 ILE QG2 . 7382 1 785 . 1 1 68 68 ILE HG23 H 1 0.818 0.009 . . . . . . 147 ILE QG2 . 7382 1 786 . 1 1 68 68 ILE C C 13 171.816 0.000 . . . . . . 147 ILE C . 7382 1 787 . 1 1 68 68 ILE CA C 13 60.802 0.101 . . . . . . 147 ILE CA . 7382 1 788 . 1 1 68 68 ILE CB C 13 40.065 0.147 . . . . . . 147 ILE CB . 7382 1 789 . 1 1 68 68 ILE CD1 C 13 14.831 0.073 . . . . . . 147 ILE CD1 . 7382 1 790 . 1 1 68 68 ILE CG2 C 13 17.829 0.215 . . . . . . 147 ILE CG2 . 7382 1 791 . 1 1 68 68 ILE N N 15 114.930 0.023 . . . . . . 147 ILE N . 7382 1 792 . 1 1 69 69 GLU H H 1 8.288 0.005 . . . . . . 148 GLU H . 7382 1 793 . 1 1 69 69 GLU HA H 1 4.744 0.011 . . . . . . 148 GLU HA . 7382 1 794 . 1 1 69 69 GLU HB2 H 1 1.829 0.002 . . . . . . 148 GLU HB2 . 7382 1 795 . 1 1 69 69 GLU HB3 H 1 1.967 0.001 . . . . . . 148 GLU HB3 . 7382 1 796 . 1 1 69 69 GLU HG2 H 1 2.069 0.003 . . . . . . 148 GLU HG2 . 7382 1 797 . 1 1 69 69 GLU HG3 H 1 1.764 0.015 . . . . . . 148 GLU HG3 . 7382 1 798 . 1 1 69 69 GLU C C 13 173.884 0.000 . . . . . . 148 GLU C . 7382 1 799 . 1 1 69 69 GLU CA C 13 55.872 0.000 . . . . . . 148 GLU CA . 7382 1 800 . 1 1 69 69 GLU CB C 13 30.591 0.072 . . . . . . 148 GLU CB . 7382 1 801 . 1 1 69 69 GLU N N 15 123.263 0.035 . . . . . . 148 GLU N . 7382 1 802 . 1 1 70 70 PHE H H 1 9.383 0.007 . . . . . . 149 PHE H . 7382 1 803 . 1 1 70 70 PHE HA H 1 4.581 0.211 . . . . . . 149 PHE HA . 7382 1 804 . 1 1 70 70 PHE HB2 H 1 2.867 0.003 . . . . . . 149 PHE HB2 . 7382 1 805 . 1 1 70 70 PHE HB3 H 1 2.815 0.004 . . . . . . 149 PHE HB3 . 7382 1 806 . 1 1 70 70 PHE C C 13 171.401 0.000 . . . . . . 149 PHE C . 7382 1 807 . 1 1 70 70 PHE CA C 13 55.727 0.033 . . . . . . 149 PHE CA . 7382 1 808 . 1 1 70 70 PHE CB C 13 41.406 0.000 . . . . . . 149 PHE CB . 7382 1 809 . 1 1 70 70 PHE N N 15 128.393 0.047 . . . . . . 149 PHE N . 7382 1 810 . 1 1 71 71 ARG H H 1 9.149 0.008 . . . . . . 150 ARG H . 7382 1 811 . 1 1 71 71 ARG HA H 1 3.590 0.006 . . . . . . 150 ARG HA . 7382 1 812 . 1 1 71 71 ARG HB2 H 1 1.626 0.010 . . . . . . 150 ARG QB . 7382 1 813 . 1 1 71 71 ARG HB3 H 1 1.626 0.010 . . . . . . 150 ARG QB . 7382 1 814 . 1 1 71 71 ARG HD2 H 1 2.429 0.002 . . . . . . 150 ARG HD2 . 7382 1 815 . 1 1 71 71 ARG HD3 H 1 2.730 0.002 . . . . . . 150 ARG HD3 . 7382 1 816 . 1 1 71 71 ARG HG2 H 1 0.582 0.008 . . . . . . 150 ARG HG2 . 7382 1 817 . 1 1 71 71 ARG HG3 H 1 1.038 0.013 . . . . . . 150 ARG HG3 . 7382 1 818 . 1 1 71 71 ARG C C 13 174.348 0.000 . . . . . . 150 ARG C . 7382 1 819 . 1 1 71 71 ARG CA C 13 56.642 0.248 . . . . . . 150 ARG CA . 7382 1 820 . 1 1 71 71 ARG CB C 13 28.165 0.000 . . . . . . 150 ARG CB . 7382 1 821 . 1 1 71 71 ARG CD C 13 44.146 0.092 . . . . . . 150 ARG CD . 7382 1 822 . 1 1 71 71 ARG CG C 13 24.076 0.000 . . . . . . 150 ARG CG . 7382 1 823 . 1 1 71 71 ARG N N 15 124.536 0.021 . . . . . . 150 ARG N . 7382 1 824 . 1 1 72 72 GLY H H 1 8.563 0.005 . . . . . . 151 GLY H . 7382 1 825 . 1 1 72 72 GLY HA2 H 1 3.592 0.013 . . . . . . 151 GLY HA2 . 7382 1 826 . 1 1 72 72 GLY HA3 H 1 4.159 0.003 . . . . . . 151 GLY HA3 . 7382 1 827 . 1 1 72 72 GLY C C 13 172.225 0.000 . . . . . . 151 GLY C . 7382 1 828 . 1 1 72 72 GLY CA C 13 45.548 0.033 . . . . . . 151 GLY CA . 7382 1 829 . 1 1 72 72 GLY N N 15 103.861 0.016 . . . . . . 151 GLY N . 7382 1 830 . 1 1 73 73 SER H H 1 7.824 0.006 . . . . . . 152 SER H . 7382 1 831 . 1 1 73 73 SER HA H 1 4.713 0.010 . . . . . . 152 SER HA . 7382 1 832 . 1 1 73 73 SER HB2 H 1 4.025 0.010 . . . . . . 152 SER HB2 . 7382 1 833 . 1 1 73 73 SER HB3 H 1 3.610 0.005 . . . . . . 152 SER HB3 . 7382 1 834 . 1 1 73 73 SER C C 13 170.828 0.000 . . . . . . 152 SER C . 7382 1 835 . 1 1 73 73 SER CA C 13 57.180 0.106 . . . . . . 152 SER CA . 7382 1 836 . 1 1 73 73 SER CB C 13 65.902 0.127 . . . . . . 152 SER CB . 7382 1 837 . 1 1 73 73 SER N N 15 117.451 0.037 . . . . . . 152 SER N . 7382 1 838 . 1 1 74 74 VAL H H 1 8.469 0.007 . . . . . . 153 VAL H . 7382 1 839 . 1 1 74 74 VAL HA H 1 4.482 0.023 . . . . . . 153 VAL HA . 7382 1 840 . 1 1 74 74 VAL HB H 1 1.897 0.015 . . . . . . 153 VAL HB . 7382 1 841 . 1 1 74 74 VAL HG11 H 1 0.694 0.010 . . . . . . 153 VAL QG1 . 7382 1 842 . 1 1 74 74 VAL HG12 H 1 0.694 0.010 . . . . . . 153 VAL QG1 . 7382 1 843 . 1 1 74 74 VAL HG13 H 1 0.694 0.010 . . . . . . 153 VAL QG1 . 7382 1 844 . 1 1 74 74 VAL HG21 H 1 0.840 0.012 . . . . . . 153 VAL QG2 . 7382 1 845 . 1 1 74 74 VAL HG22 H 1 0.840 0.012 . . . . . . 153 VAL QG2 . 7382 1 846 . 1 1 74 74 VAL HG23 H 1 0.840 0.012 . . . . . . 153 VAL QG2 . 7382 1 847 . 1 1 74 74 VAL C C 13 174.633 0.000 . . . . . . 153 VAL C . 7382 1 848 . 1 1 74 74 VAL CA C 13 62.775 0.050 . . . . . . 153 VAL CA . 7382 1 849 . 1 1 74 74 VAL CB C 13 31.258 0.159 . . . . . . 153 VAL CB . 7382 1 850 . 1 1 74 74 VAL CG2 C 13 21.673 0.246 . . . . . . 153 VAL CG2 . 7382 1 851 . 1 1 74 74 VAL N N 15 125.610 0.019 . . . . . . 153 VAL N . 7382 1 852 . 1 1 75 75 ILE H H 1 8.757 0.006 . . . . . . 154 ILE H . 7382 1 853 . 1 1 75 75 ILE HA H 1 4.747 0.016 . . . . . . 154 ILE HA . 7382 1 854 . 1 1 75 75 ILE HB H 1 2.033 0.010 . . . . . . 154 ILE HB . 7382 1 855 . 1 1 75 75 ILE HD11 H 1 0.686 0.007 . . . . . . 154 ILE QD1 . 7382 1 856 . 1 1 75 75 ILE HD12 H 1 0.686 0.007 . . . . . . 154 ILE QD1 . 7382 1 857 . 1 1 75 75 ILE HD13 H 1 0.686 0.007 . . . . . . 154 ILE QD1 . 7382 1 858 . 1 1 75 75 ILE HG12 H 1 1.376 0.006 . . . . . . 154 ILE HG12 . 7382 1 859 . 1 1 75 75 ILE HG13 H 1 1.674 0.007 . . . . . . 154 ILE HG13 . 7382 1 860 . 1 1 75 75 ILE HG21 H 1 1.028 0.006 . . . . . . 154 ILE QG2 . 7382 1 861 . 1 1 75 75 ILE HG22 H 1 1.028 0.006 . . . . . . 154 ILE QG2 . 7382 1 862 . 1 1 75 75 ILE HG23 H 1 1.028 0.006 . . . . . . 154 ILE QG2 . 7382 1 863 . 1 1 75 75 ILE C C 13 173.810 0.000 . . . . . . 154 ILE C . 7382 1 864 . 1 1 75 75 ILE CA C 13 60.682 0.000 . . . . . . 154 ILE CA . 7382 1 865 . 1 1 75 75 ILE CB C 13 39.912 0.150 . . . . . . 154 ILE CB . 7382 1 866 . 1 1 75 75 ILE CD1 C 13 14.290 0.059 . . . . . . 154 ILE CD1 . 7382 1 867 . 1 1 75 75 ILE CG1 C 13 28.944 0.206 . . . . . . 154 ILE CG1 . 7382 1 868 . 1 1 75 75 ILE CG2 C 13 18.618 0.130 . . . . . . 154 ILE CG2 . 7382 1 869 . 1 1 75 75 ILE N N 15 128.142 0.030 . . . . . . 154 ILE N . 7382 1 870 . 1 1 76 76 THR H H 1 7.861 0.006 . . . . . . 155 THR H . 7382 1 871 . 1 1 76 76 THR HA H 1 4.987 0.005 . . . . . . 155 THR HA . 7382 1 872 . 1 1 76 76 THR HB H 1 4.200 0.008 . . . . . . 155 THR HB . 7382 1 873 . 1 1 76 76 THR HG21 H 1 1.172 0.007 . . . . . . 155 THR QG2 . 7382 1 874 . 1 1 76 76 THR HG22 H 1 1.172 0.007 . . . . . . 155 THR QG2 . 7382 1 875 . 1 1 76 76 THR HG23 H 1 1.172 0.007 . . . . . . 155 THR QG2 . 7382 1 876 . 1 1 76 76 THR C C 13 171.702 0.000 . . . . . . 155 THR C . 7382 1 877 . 1 1 76 76 THR CA C 13 60.244 0.161 . . . . . . 155 THR CA . 7382 1 878 . 1 1 76 76 THR CB C 13 71.774 0.139 . . . . . . 155 THR CB . 7382 1 879 . 1 1 76 76 THR CG2 C 13 21.854 0.149 . . . . . . 155 THR CG2 . 7382 1 880 . 1 1 76 76 THR N N 15 112.778 0.046 . . . . . . 155 THR N . 7382 1 881 . 1 1 77 77 VAL H H 1 8.269 0.003 . . . . . . 156 VAL H . 7382 1 882 . 1 1 77 77 VAL HA H 1 5.567 0.005 . . . . . . 156 VAL HA . 7382 1 883 . 1 1 77 77 VAL HB H 1 1.952 0.007 . . . . . . 156 VAL HB . 7382 1 884 . 1 1 77 77 VAL HG11 H 1 0.735 0.006 . . . . . . 156 VAL QG1 . 7382 1 885 . 1 1 77 77 VAL HG12 H 1 0.735 0.006 . . . . . . 156 VAL QG1 . 7382 1 886 . 1 1 77 77 VAL HG13 H 1 0.735 0.006 . . . . . . 156 VAL QG1 . 7382 1 887 . 1 1 77 77 VAL HG21 H 1 0.804 0.011 . . . . . . 156 VAL QG2 . 7382 1 888 . 1 1 77 77 VAL HG22 H 1 0.804 0.011 . . . . . . 156 VAL QG2 . 7382 1 889 . 1 1 77 77 VAL HG23 H 1 0.804 0.011 . . . . . . 156 VAL QG2 . 7382 1 890 . 1 1 77 77 VAL C C 13 172.766 0.000 . . . . . . 156 VAL C . 7382 1 891 . 1 1 77 77 VAL CA C 13 58.527 0.125 . . . . . . 156 VAL CA . 7382 1 892 . 1 1 77 77 VAL CB C 13 35.760 0.130 . . . . . . 156 VAL CB . 7382 1 893 . 1 1 77 77 VAL CG1 C 13 20.015 0.156 . . . . . . 156 VAL CG1 . 7382 1 894 . 1 1 77 77 VAL CG2 C 13 23.703 0.187 . . . . . . 156 VAL CG2 . 7382 1 895 . 1 1 77 77 VAL N N 15 113.477 0.042 . . . . . . 156 VAL N . 7382 1 896 . 1 1 78 78 GLU H H 1 8.387 0.005 . . . . . . 157 GLU H . 7382 1 897 . 1 1 78 78 GLU HA H 1 4.576 0.024 . . . . . . 157 GLU HA . 7382 1 898 . 1 1 78 78 GLU HB2 H 1 1.869 0.019 . . . . . . 157 GLU HB2 . 7382 1 899 . 1 1 78 78 GLU HB3 H 1 2.026 0.006 . . . . . . 157 GLU HB3 . 7382 1 900 . 1 1 78 78 GLU HG2 H 1 2.197 0.005 . . . . . . 157 GLU QG . 7382 1 901 . 1 1 78 78 GLU HG3 H 1 2.197 0.005 . . . . . . 157 GLU QG . 7382 1 902 . 1 1 78 78 GLU C C 13 172.531 0.000 . . . . . . 157 GLU C . 7382 1 903 . 1 1 78 78 GLU CA C 13 54.497 0.018 . . . . . . 157 GLU CA . 7382 1 904 . 1 1 78 78 GLU CB C 13 34.065 0.177 . . . . . . 157 GLU CB . 7382 1 905 . 1 1 78 78 GLU N N 15 118.606 0.027 . . . . . . 157 GLU N . 7382 1 906 . 1 1 79 79 ARG H H 1 9.090 0.006 . . . . . . 158 ARG H . 7382 1 907 . 1 1 79 79 ARG HA H 1 4.269 0.011 . . . . . . 158 ARG HA . 7382 1 908 . 1 1 79 79 ARG HB2 H 1 1.767 0.013 . . . . . . 158 ARG QB . 7382 1 909 . 1 1 79 79 ARG HB3 H 1 1.767 0.013 . . . . . . 158 ARG QB . 7382 1 910 . 1 1 79 79 ARG HD2 H 1 3.299 0.014 . . . . . . 158 ARG HD2 . 7382 1 911 . 1 1 79 79 ARG HD3 H 1 3.111 0.008 . . . . . . 158 ARG HD3 . 7382 1 912 . 1 1 79 79 ARG HG2 H 1 1.678 0.005 . . . . . . 158 ARG QG . 7382 1 913 . 1 1 79 79 ARG HG3 H 1 1.678 0.005 . . . . . . 158 ARG QG . 7382 1 914 . 1 1 79 79 ARG C C 13 173.401 0.000 . . . . . . 158 ARG C . 7382 1 915 . 1 1 79 79 ARG CA C 13 58.222 0.103 . . . . . . 158 ARG CA . 7382 1 916 . 1 1 79 79 ARG CB C 13 31.819 0.144 . . . . . . 158 ARG CB . 7382 1 917 . 1 1 79 79 ARG CG C 13 27.150 0.182 . . . . . . 158 ARG CG . 7382 1 918 . 1 1 79 79 ARG N N 15 123.915 0.029 . . . . . . 158 ARG N . 7382 1 919 . 1 1 80 80 ASP H H 1 8.491 0.005 . . . . . . 159 ASP H . 7382 1 920 . 1 1 80 80 ASP HA H 1 4.820 0.007 . . . . . . 159 ASP HA . 7382 1 921 . 1 1 80 80 ASP HB2 H 1 2.429 0.003 . . . . . . 159 ASP HB2 . 7382 1 922 . 1 1 80 80 ASP HB3 H 1 2.496 0.008 . . . . . . 159 ASP HB3 . 7382 1 923 . 1 1 80 80 ASP C C 13 173.780 0.000 . . . . . . 159 ASP C . 7382 1 924 . 1 1 80 80 ASP CA C 13 53.081 0.000 . . . . . . 159 ASP CA . 7382 1 925 . 1 1 80 80 ASP CB C 13 41.539 0.050 . . . . . . 159 ASP CB . 7382 1 926 . 1 1 80 80 ASP N N 15 125.875 0.037 . . . . . . 159 ASP N . 7382 1 927 . 1 1 81 81 ASP H H 1 8.649 0.007 . . . . . . 160 ASP H . 7382 1 928 . 1 1 81 81 ASP HA H 1 4.814 0.002 . . . . . . 160 ASP HA . 7382 1 929 . 1 1 81 81 ASP HB2 H 1 2.476 0.002 . . . . . . 160 ASP HB2 . 7382 1 930 . 1 1 81 81 ASP HB3 H 1 2.770 0.007 . . . . . . 160 ASP HB3 . 7382 1 931 . 1 1 81 81 ASP C C 13 173.948 0.000 . . . . . . 160 ASP C . 7382 1 932 . 1 1 81 81 ASP CA C 13 54.505 0.000 . . . . . . 160 ASP CA . 7382 1 933 . 1 1 81 81 ASP CB C 13 41.947 0.129 . . . . . . 160 ASP CB . 7382 1 934 . 1 1 81 81 ASP N N 15 124.280 0.024 . . . . . . 160 ASP N . 7382 1 935 . 1 1 82 82 ASN H H 1 8.485 0.005 . . . . . . 161 ASN H . 7382 1 936 . 1 1 82 82 ASN HA H 1 4.923 0.025 . . . . . . 161 ASN HA . 7382 1 937 . 1 1 82 82 ASN HB2 H 1 2.555 0.007 . . . . . . 161 ASN HB2 . 7382 1 938 . 1 1 82 82 ASN HB3 H 1 2.667 0.006 . . . . . . 161 ASN HB3 . 7382 1 939 . 1 1 82 82 ASN HD21 H 1 6.829 0.005 . . . . . . 161 ASN HD21 . 7382 1 940 . 1 1 82 82 ASN HD22 H 1 7.667 0.002 . . . . . . 161 ASN HD22 . 7382 1 941 . 1 1 82 82 ASN CA C 13 51.707 0.176 . . . . . . 161 ASN CA . 7382 1 942 . 1 1 82 82 ASN CB C 13 39.337 0.092 . . . . . . 161 ASN CB . 7382 1 943 . 1 1 82 82 ASN N N 15 119.045 0.019 . . . . . . 161 ASN N . 7382 1 944 . 1 1 82 82 ASN ND2 N 15 113.984 0.136 . . . . . . 161 ASN ND2 . 7382 1 945 . 1 1 83 83 PRO HD2 H 1 3.507 0.000 . . . . . . 162 PRO HD2 . 7382 1 946 . 1 1 83 83 PRO HD3 H 1 3.449 0.006 . . . . . . 162 PRO HD3 . 7382 1 947 . 1 1 83 83 PRO HG2 H 1 1.750 0.000 . . . . . . 162 PRO HG2 . 7382 1 948 . 1 1 83 83 PRO HG3 H 1 1.901 0.000 . . . . . . 162 PRO HG3 . 7382 1 949 . 1 1 85 85 PRO HA H 1 4.292 0.011 . . . . . . 164 PRO HA . 7382 1 950 . 1 1 85 85 PRO HB2 H 1 2.153 0.006 . . . . . . 164 PRO HB2 . 7382 1 951 . 1 1 85 85 PRO HB3 H 1 1.749 0.007 . . . . . . 164 PRO HB3 . 7382 1 952 . 1 1 85 85 PRO HD2 H 1 3.677 0.014 . . . . . . 164 PRO HD2 . 7382 1 953 . 1 1 85 85 PRO HD3 H 1 3.489 0.007 . . . . . . 164 PRO HD3 . 7382 1 954 . 1 1 85 85 PRO HG2 H 1 1.890 0.004 . . . . . . 164 PRO QG . 7382 1 955 . 1 1 85 85 PRO HG3 H 1 1.890 0.004 . . . . . . 164 PRO QG . 7382 1 956 . 1 1 85 85 PRO C C 13 174.747 0.000 . . . . . . 164 PRO C . 7382 1 957 . 1 1 85 85 PRO CA C 13 63.039 0.207 . . . . . . 164 PRO CA . 7382 1 958 . 1 1 85 85 PRO CB C 13 31.932 0.032 . . . . . . 164 PRO CB . 7382 1 959 . 1 1 85 85 PRO CG C 13 27.561 0.047 . . . . . . 164 PRO CG . 7382 1 960 . 1 1 86 86 ILE H H 1 8.088 0.006 . . . . . . 165 ILE H . 7382 1 961 . 1 1 86 86 ILE HA H 1 3.942 0.009 . . . . . . 165 ILE HA . 7382 1 962 . 1 1 86 86 ILE HB H 1 1.618 0.006 . . . . . . 165 ILE HB . 7382 1 963 . 1 1 86 86 ILE HD11 H 1 0.569 0.007 . . . . . . 165 ILE QD1 . 7382 1 964 . 1 1 86 86 ILE HD12 H 1 0.569 0.007 . . . . . . 165 ILE QD1 . 7382 1 965 . 1 1 86 86 ILE HD13 H 1 0.569 0.007 . . . . . . 165 ILE QD1 . 7382 1 966 . 1 1 86 86 ILE HG12 H 1 0.907 0.004 . . . . . . 165 ILE HG12 . 7382 1 967 . 1 1 86 86 ILE HG13 H 1 1.250 0.004 . . . . . . 165 ILE HG13 . 7382 1 968 . 1 1 86 86 ILE HG21 H 1 0.685 0.003 . . . . . . 165 ILE QG2 . 7382 1 969 . 1 1 86 86 ILE HG22 H 1 0.685 0.003 . . . . . . 165 ILE QG2 . 7382 1 970 . 1 1 86 86 ILE HG23 H 1 0.685 0.003 . . . . . . 165 ILE QG2 . 7382 1 971 . 1 1 86 86 ILE CB C 13 38.745 0.099 . . . . . . 165 ILE CB . 7382 1 972 . 1 1 86 86 ILE CD1 C 13 12.813 0.065 . . . . . . 165 ILE CD1 . 7382 1 973 . 1 1 86 86 ILE CG1 C 13 27.250 0.141 . . . . . . 165 ILE CG1 . 7382 1 974 . 1 1 86 86 ILE CG2 C 13 17.399 0.000 . . . . . . 165 ILE CG2 . 7382 1 975 . 1 1 86 86 ILE N N 15 120.883 0.028 . . . . . . 165 ILE N . 7382 1 976 . 1 1 87 87 ARG H H 1 7.662 0.004 . . . . . . 166 ARG H . 7382 1 977 . 1 1 87 87 ARG HA H 1 4.033 0.006 . . . . . . 166 ARG HA . 7382 1 978 . 1 1 87 87 ARG HB2 H 1 1.644 0.029 . . . . . . 166 ARG QB . 7382 1 979 . 1 1 87 87 ARG HB3 H 1 1.644 0.029 . . . . . . 166 ARG QB . 7382 1 980 . 1 1 87 87 ARG HD2 H 1 2.978 0.004 . . . . . . 166 ARG QD . 7382 1 981 . 1 1 87 87 ARG HD3 H 1 2.978 0.004 . . . . . . 166 ARG QD . 7382 1 982 . 1 1 87 87 ARG HG2 H 1 1.394 0.006 . . . . . . 166 ARG QG . 7382 1 983 . 1 1 87 87 ARG HG3 H 1 1.394 0.006 . . . . . . 166 ARG QG . 7382 1 984 . 1 1 87 87 ARG CA C 13 57.160 0.143 . . . . . . 166 ARG CA . 7382 1 985 . 1 1 87 87 ARG CB C 13 31.955 0.012 . . . . . . 166 ARG CB . 7382 1 986 . 1 1 87 87 ARG CD C 13 43.273 0.049 . . . . . . 166 ARG CD . 7382 1 987 . 1 1 87 87 ARG CG C 13 26.805 0.000 . . . . . . 166 ARG CG . 7382 1 988 . 1 1 87 87 ARG N N 15 129.057 0.016 . . . . . . 166 ARG N . 7382 1 stop_ save_