data_17254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17254 _Entry.Title ; Promiscuous Binding at the Crossroads of Numerous Cancer Pathways: Insight from the Binding of GIP with Glutaminase L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-13 _Entry.Accession_date 2010-10-13 _Entry.Last_release_date 2010-10-13 _Entry.Original_release_date 2010-10-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'GIP/Glutaminase L complex' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Zoetewey . L. . . 17254 2 Mohiuddin Ovee . . . . 17254 3 Monimoy Banerjee . . . . 17254 4 Rajagopalan Bhaskaran . . . . 17254 5 Smita Mohanty . . . . 17254 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GIP . 17254 'Glutatminase L' . 17254 NMR . 17254 'PDZ domain' . 17254 'protein/peptide complex' . 17254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 502 17254 '15N chemical shifts' 131 17254 '1H chemical shifts' 877 17254 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-04-28 2010-10-13 update BMRB 'update entry citation' 17254 1 . . 2011-03-24 2010-10-13 original author 'original release' 17254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17255 'GIP/Glutaminase L peptide complex' 17254 PDB 2L4S 'BMRB Entry Tracking System' 17254 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17254 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21417405 _Citation.Full_citation . _Citation.Title ; Promiscuous binding at the crossroads of numerous cancer pathways: insight from the binding of glutaminase interacting protein with glutaminase L. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 17 _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 3528 _Citation.Page_last 3539 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Zoetewey . L. . . 17254 1 2 Mohiuddin Ovee . . . . 17254 1 3 Monimoy Banerjee . . . . 17254 1 4 Rajagopalan Bhaskaran . . . . 17254 1 5 Smita Mohanty . . . . 17254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17254 _Assembly.ID 1 _Assembly.Name 'GIP apo' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GIP 1 $Glutaminase_Interacting_Protein_3 A . yes native no no . . . 17254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Glutaminase_Interacting_Protein_3 _Entity.Sf_category entity _Entity.Sf_framecode Glutaminase_Interacting_Protein_3 _Entity.Entry_ID 17254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Glutaminase_Interacting_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 ; MSYIPGQPVTAVVQRVEIHK LRQGENLILGFSIGGGIDQD PSQNPFSEDKTDKGIYVTRV SEGGPAEIAGLQIGDKIMQV NGWDMTMVTHDQARKRLTKR SEEVVRLLVTRQSLQKAVQQ SMLS ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes UNP O14907-1 . TAX1BP3 . . . . . . . . . . . . . . 17254 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 . MET . 17254 1 2 . SER . 17254 1 3 . TYR . 17254 1 4 . ILE . 17254 1 5 . PRO . 17254 1 6 . GLY . 17254 1 7 . GLN . 17254 1 8 . PRO . 17254 1 9 . VAL . 17254 1 10 . THR . 17254 1 11 . ALA . 17254 1 12 . VAL . 17254 1 13 . VAL . 17254 1 14 . GLN . 17254 1 15 . ARG . 17254 1 16 . VAL . 17254 1 17 . GLU . 17254 1 18 . ILE . 17254 1 19 . HIS . 17254 1 20 . LYS . 17254 1 21 . LEU . 17254 1 22 . ARG . 17254 1 23 . GLN . 17254 1 24 . GLY . 17254 1 25 . GLU . 17254 1 26 . ASN . 17254 1 27 . LEU . 17254 1 28 . ILE . 17254 1 29 . LEU . 17254 1 30 . GLY . 17254 1 31 . PHE . 17254 1 32 . SER . 17254 1 33 . ILE . 17254 1 34 . GLY . 17254 1 35 . GLY . 17254 1 36 . GLY . 17254 1 37 . ILE . 17254 1 38 . ASP . 17254 1 39 . GLN . 17254 1 40 . ASP . 17254 1 41 . PRO . 17254 1 42 . SER . 17254 1 43 . GLN . 17254 1 44 . ASN . 17254 1 45 . PRO . 17254 1 46 . PHE . 17254 1 47 . SER . 17254 1 48 . GLU . 17254 1 49 . ASP . 17254 1 50 . LYS . 17254 1 51 . THR . 17254 1 52 . ASP . 17254 1 53 . LYS . 17254 1 54 . GLY . 17254 1 55 . ILE . 17254 1 56 . TYR . 17254 1 57 . VAL . 17254 1 58 . THR . 17254 1 59 . ARG . 17254 1 60 . VAL . 17254 1 61 . SER . 17254 1 62 . GLU . 17254 1 63 . GLY . 17254 1 64 . GLY . 17254 1 65 . PRO . 17254 1 66 . ALA . 17254 1 67 . GLU . 17254 1 68 . ILE . 17254 1 69 . ALA . 17254 1 70 . GLY . 17254 1 71 . LEU . 17254 1 72 . GLN . 17254 1 73 . ILE . 17254 1 74 . GLY . 17254 1 75 . ASP . 17254 1 76 . LYS . 17254 1 77 . ILE . 17254 1 78 . MET . 17254 1 79 . GLN . 17254 1 80 . VAL . 17254 1 81 . ASN . 17254 1 82 . GLY . 17254 1 83 . TRP . 17254 1 84 . ASP . 17254 1 85 . MET . 17254 1 86 . THR . 17254 1 87 . MET . 17254 1 88 . VAL . 17254 1 89 . THR . 17254 1 90 . HIS . 17254 1 91 . ASP . 17254 1 92 . GLN . 17254 1 93 . ALA . 17254 1 94 . ARG . 17254 1 95 . LYS . 17254 1 96 . ARG . 17254 1 97 . LEU . 17254 1 98 . THR . 17254 1 99 . LYS . 17254 1 100 . ARG . 17254 1 101 . SER . 17254 1 102 . GLU . 17254 1 103 . GLU . 17254 1 104 . VAL . 17254 1 105 . VAL . 17254 1 106 . ARG . 17254 1 107 . LEU . 17254 1 108 . LEU . 17254 1 109 . VAL . 17254 1 110 . THR . 17254 1 111 . ARG . 17254 1 112 . GLN . 17254 1 113 . SER . 17254 1 114 . LEU . 17254 1 115 . GLN . 17254 1 116 . LYS . 17254 1 117 . ALA . 17254 1 118 . VAL . 17254 1 119 . GLN . 17254 1 120 . GLN . 17254 1 121 . SER . 17254 1 122 . MET . 17254 1 123 . LEU . 17254 1 124 . SER . 17254 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 . MET 1 1 17254 1 . SER 2 2 17254 1 . TYR 3 3 17254 1 . ILE 4 4 17254 1 . PRO 5 5 17254 1 . GLY 6 6 17254 1 . GLN 7 7 17254 1 . PRO 8 8 17254 1 . VAL 9 9 17254 1 . THR 10 10 17254 1 . ALA 11 11 17254 1 . VAL 12 12 17254 1 . VAL 13 13 17254 1 . GLN 14 14 17254 1 . ARG 15 15 17254 1 . VAL 16 16 17254 1 . GLU 17 17 17254 1 . ILE 18 18 17254 1 . HIS 19 19 17254 1 . LYS 20 20 17254 1 . LEU 21 21 17254 1 . ARG 22 22 17254 1 . GLN 23 23 17254 1 . GLY 24 24 17254 1 . GLU 25 25 17254 1 . ASN 26 26 17254 1 . LEU 27 27 17254 1 . ILE 28 28 17254 1 . LEU 29 29 17254 1 . GLY 30 30 17254 1 . PHE 31 31 17254 1 . SER 32 32 17254 1 . ILE 33 33 17254 1 . GLY 34 34 17254 1 . GLY 35 35 17254 1 . GLY 36 36 17254 1 . ILE 37 37 17254 1 . ASP 38 38 17254 1 . GLN 39 39 17254 1 . ASP 40 40 17254 1 . PRO 41 41 17254 1 . SER 42 42 17254 1 . GLN 43 43 17254 1 . ASN 44 44 17254 1 . PRO 45 45 17254 1 . PHE 46 46 17254 1 . SER 47 47 17254 1 . GLU 48 48 17254 1 . ASP 49 49 17254 1 . LYS 50 50 17254 1 . THR 51 51 17254 1 . ASP 52 52 17254 1 . LYS 53 53 17254 1 . GLY 54 54 17254 1 . ILE 55 55 17254 1 . TYR 56 56 17254 1 . VAL 57 57 17254 1 . THR 58 58 17254 1 . ARG 59 59 17254 1 . VAL 60 60 17254 1 . SER 61 61 17254 1 . GLU 62 62 17254 1 . GLY 63 63 17254 1 . GLY 64 64 17254 1 . PRO 65 65 17254 1 . ALA 66 66 17254 1 . GLU 67 67 17254 1 . ILE 68 68 17254 1 . ALA 69 69 17254 1 . GLY 70 70 17254 1 . LEU 71 71 17254 1 . GLN 72 72 17254 1 . ILE 73 73 17254 1 . GLY 74 74 17254 1 . ASP 75 75 17254 1 . LYS 76 76 17254 1 . ILE 77 77 17254 1 . MET 78 78 17254 1 . GLN 79 79 17254 1 . VAL 80 80 17254 1 . ASN 81 81 17254 1 . GLY 82 82 17254 1 . TRP 83 83 17254 1 . ASP 84 84 17254 1 . MET 85 85 17254 1 . THR 86 86 17254 1 . MET 87 87 17254 1 . VAL 88 88 17254 1 . THR 89 89 17254 1 . HIS 90 90 17254 1 . ASP 91 91 17254 1 . GLN 92 92 17254 1 . ALA 93 93 17254 1 . ARG 94 94 17254 1 . LYS 95 95 17254 1 . ARG 96 96 17254 1 . LEU 97 97 17254 1 . THR 98 98 17254 1 . LYS 99 99 17254 1 . ARG 100 100 17254 1 . SER 101 101 17254 1 . GLU 102 102 17254 1 . GLU 103 103 17254 1 . VAL 104 104 17254 1 . VAL 105 105 17254 1 . ARG 106 106 17254 1 . LEU 107 107 17254 1 . LEU 108 108 17254 1 . VAL 109 109 17254 1 . THR 110 110 17254 1 . ARG 111 111 17254 1 . GLN 112 112 17254 1 . SER 113 113 17254 1 . LEU 114 114 17254 1 . GLN 115 115 17254 1 . LYS 116 116 17254 1 . ALA 117 117 17254 1 . VAL 118 118 17254 1 . GLN 119 119 17254 1 . GLN 120 120 17254 1 . SER 121 121 17254 1 . MET 122 122 17254 1 . LEU 123 123 17254 1 . SER 124 124 17254 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 17254 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Glutaminase_Interacting_Protein_3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . TAX1BP3 . 17254 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 17254 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Glutaminase_Interacting_Protein_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysS . . . . pET-3c/GIP . . . 17254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17254 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Glutaminase Interacting Protein 3' '[U-99% 13C; U-99% 15N]' . . 1 $Glutaminase_Interacting_Protein_3 . . . 0.5 1 mM . . . . 17254 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17254 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . '% w/v' . . . . 17254 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17254 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17254 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17254 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 17254 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 17254 1 pH 6.5 . pH 17254 1 pressure 1 . atm 17254 1 temperature 273 . K 17254 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 17254 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 1.1 _Software.DOI . _Software.Details 'ARIA 1.1 is using CNS 1.1' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Michael Nilges, Institut Pasteur' ; Unite de Bioinformatique Structurale, Institut Pasteur, 25-28 rue du Dr Roux, 75015 Paris, France ; nilges@pasteur.fr 17254 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Automated NOE assignment' 17254 1 . 'NMR structure calculation' 17254 1 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 17254 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17254 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17254 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17254 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17254 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17254 1 2 spectrometer_2 Bruker Avance . 600 . . . 17254 1 3 spectrometer_3 Bruker Avance . 600 . . . 17254 1 4 spectrometer_4 Varian INOVA . 500 . . . 17254 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 17254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17254 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 17254 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.73 internal indirect 0.251449530 . . . . . 17254 1 H 1 water protons . . . . ppm 4.73 internal direct 1.0 . . . . . 17254 1 N 15 water protons . . . . ppm 4.73 internal indirect 0.101329118 . . . . . 17254 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 17254 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 'Derived from the file: /home/ovee/aria/GIP/peaks_run/run1/data/15N/15N.ppm' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17254 1 2 '2D 1H-13C HSQC' . . . 17254 1 3 '3D CBCA(CO)NH' . . . 17254 1 4 '3D HNCACB' . . . 17254 1 6 '3D HNCA' . . . 17254 1 7 '3D C(CO)NH' . . . 17254 1 8 '3D HN(CO)CA' . . . 17254 1 9 '3D H(CCO)NH' . . . 17254 1 10 '3D HCCH-TOCSY' . . . 17254 1 11 '3D HCCH-COSY' . . . 17254 1 12 '3D 1H-15N TOCSY' . . . 17254 1 13 '3D 1H-15N NOESY' . . . 17254 1 14 '3D 1H-13C NOESY' . . . 17254 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Aria . . 17254 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.054 0.014 . 1 . . . . . 1 MET HA . 17254 1 2 . 1 1 1 1 MET HB2 H 1 2.012 0.004 . 2 . . . . . 1 MET HB2 . 17254 1 3 . 1 1 1 1 MET HB3 H 1 1.862 0.015 . 2 . . . . . 1 MET HB3 . 17254 1 4 . 1 1 1 1 MET HG2 H 1 2.169 0.000 . 2 . . . . . 1 MET QG . 17254 1 5 . 1 1 1 1 MET HG3 H 1 2.169 0.000 . 2 . . . . . 1 MET QG . 17254 1 6 . 1 1 1 1 MET HE1 H 1 1.987 0.015 . 1 . . . . . 1 MET QE . 17254 1 7 . 1 1 1 1 MET HE2 H 1 1.987 0.015 . 1 . . . . . 1 MET QE . 17254 1 8 . 1 1 1 1 MET HE3 H 1 1.987 0.015 . 1 . . . . . 1 MET QE . 17254 1 9 . 1 1 1 1 MET C C 13 177.041 0.000 . 1 . . . . . 1 MET C . 17254 1 10 . 1 1 1 1 MET CA C 13 51.058 0.343 . 1 . . . . . 1 MET CA . 17254 1 11 . 1 1 1 1 MET CG C 13 34.178 0.000 . 1 . . . . . 1 MET CG . 17254 1 12 . 1 1 1 1 MET CE C 13 24.553 0.065 . 1 . . . . . 1 MET CE . 17254 1 13 . 1 1 2 2 SER H H 1 8.170 0.005 . 1 . . . . . 2 SER HN . 17254 1 14 . 1 1 2 2 SER HA H 1 4.348 0.013 . 1 . . . . . 2 SER HA . 17254 1 15 . 1 1 2 2 SER HB2 H 1 3.712 0.008 . 2 . . . . . 2 SER QB . 17254 1 16 . 1 1 2 2 SER HB3 H 1 3.712 0.008 . 2 . . . . . 2 SER QB . 17254 1 17 . 1 1 2 2 SER C C 13 174.058 0.011 . 1 . . . . . 2 SER C . 17254 1 18 . 1 1 2 2 SER CA C 13 58.303 0.122 . 1 . . . . . 2 SER CA . 17254 1 19 . 1 1 2 2 SER CB C 13 63.868 0.110 . 1 . . . . . 2 SER CB . 17254 1 20 . 1 1 2 2 SER N N 15 121.533 0.059 . 1 . . . . . 2 SER N . 17254 1 21 . 1 1 3 3 TYR H H 1 8.125 0.004 . 1 . . . . . 3 TYR HN . 17254 1 22 . 1 1 3 3 TYR HA H 1 4.561 0.006 . 1 . . . . . 3 TYR HA . 17254 1 23 . 1 1 3 3 TYR HB2 H 1 2.956 0.009 . 2 . . . . . 3 TYR HB2 . 17254 1 24 . 1 1 3 3 TYR HB3 H 1 2.846 0.020 . 2 . . . . . 3 TYR HB3 . 17254 1 25 . 1 1 3 3 TYR HD1 H 1 7.006 0.015 . 3 . . . . . 3 TYR QD . 17254 1 26 . 1 1 3 3 TYR HD2 H 1 7.006 0.015 . 3 . . . . . 3 TYR QD . 17254 1 27 . 1 1 3 3 TYR HE1 H 1 6.738 0.008 . 3 . . . . . 3 TYR QE . 17254 1 28 . 1 1 3 3 TYR HE2 H 1 6.738 0.008 . 3 . . . . . 3 TYR QE . 17254 1 29 . 1 1 3 3 TYR C C 13 174.731 0.086 . 1 . . . . . 3 TYR C . 17254 1 30 . 1 1 3 3 TYR CA C 13 57.946 0.130 . 1 . . . . . 3 TYR CA . 17254 1 31 . 1 1 3 3 TYR CB C 13 38.884 0.095 . 1 . . . . . 3 TYR CB . 17254 1 32 . 1 1 3 3 TYR CD1 C 13 133.117 0.000 . 3 . . . . . 3 TYR CD1 . 17254 1 33 . 1 1 3 3 TYR CE1 C 13 118.111 0.039 . 3 . . . . . 3 TYR CE1 . 17254 1 34 . 1 1 3 3 TYR N N 15 122.382 0.086 . 1 . . . . . 3 TYR N . 17254 1 35 . 1 1 4 4 ILE H H 1 8.015 0.017 . 1 . . . . . 4 ILE HN . 17254 1 36 . 1 1 4 4 ILE HA H 1 4.274 0.012 . 1 . . . . . 4 ILE HA . 17254 1 37 . 1 1 4 4 ILE HB H 1 1.626 0.010 . 1 . . . . . 4 ILE HB . 17254 1 38 . 1 1 4 4 ILE HG12 H 1 1.363 0.012 . 2 . . . . . 4 ILE HG12 . 17254 1 39 . 1 1 4 4 ILE HG13 H 1 0.993 0.007 . 2 . . . . . 4 ILE HG13 . 17254 1 40 . 1 1 4 4 ILE HG21 H 1 0.776 0.009 . 1 . . . . . 4 ILE QG2 . 17254 1 41 . 1 1 4 4 ILE HG22 H 1 0.776 0.009 . 1 . . . . . 4 ILE QG2 . 17254 1 42 . 1 1 4 4 ILE HG23 H 1 0.776 0.009 . 1 . . . . . 4 ILE QG2 . 17254 1 43 . 1 1 4 4 ILE HD11 H 1 0.737 0.004 . 1 . . . . . 4 ILE QD1 . 17254 1 44 . 1 1 4 4 ILE HD12 H 1 0.737 0.004 . 1 . . . . . 4 ILE QD1 . 17254 1 45 . 1 1 4 4 ILE HD13 H 1 0.737 0.004 . 1 . . . . . 4 ILE QD1 . 17254 1 46 . 1 1 4 4 ILE C C 13 173.509 0.000 . 1 . . . . . 4 ILE C . 17254 1 47 . 1 1 4 4 ILE CA C 13 57.896 0.146 . 1 . . . . . 4 ILE CA . 17254 1 48 . 1 1 4 4 ILE CB C 13 39.192 0.165 . 1 . . . . . 4 ILE CB . 17254 1 49 . 1 1 4 4 ILE CG1 C 13 26.835 0.138 . 1 . . . . . 4 ILE CG1 . 17254 1 50 . 1 1 4 4 ILE CG2 C 13 16.956 0.142 . 1 . . . . . 4 ILE CG2 . 17254 1 51 . 1 1 4 4 ILE CD1 C 13 12.588 0.086 . 1 . . . . . 4 ILE CD1 . 17254 1 52 . 1 1 4 4 ILE N N 15 127.482 0.376 . 1 . . . . . 4 ILE N . 17254 1 53 . 1 1 5 5 PRO HA H 1 4.183 0.009 . 1 . . . . . 5 PRO HA . 17254 1 54 . 1 1 5 5 PRO HB2 H 1 2.244 0.013 . 2 . . . . . 5 PRO HB2 . 17254 1 55 . 1 1 5 5 PRO HB3 H 1 1.853 0.014 . 2 . . . . . 5 PRO HB3 . 17254 1 56 . 1 1 5 5 PRO HG2 H 1 1.984 0.006 . 2 . . . . . 5 PRO HG2 . 17254 1 57 . 1 1 5 5 PRO HG3 H 1 1.908 0.009 . 2 . . . . . 5 PRO HG3 . 17254 1 58 . 1 1 5 5 PRO HD2 H 1 3.620 0.000 . 2 . . . . . 5 PRO HD2 . 17254 1 59 . 1 1 5 5 PRO HD3 H 1 3.536 0.000 . 2 . . . . . 5 PRO HD3 . 17254 1 60 . 1 1 5 5 PRO C C 13 177.404 0.008 . 1 . . . . . 5 PRO C . 17254 1 61 . 1 1 5 5 PRO CA C 13 63.439 0.075 . 1 . . . . . 5 PRO CA . 17254 1 62 . 1 1 5 5 PRO CB C 13 31.974 0.069 . 1 . . . . . 5 PRO CB . 17254 1 63 . 1 1 5 5 PRO CG C 13 27.338 0.045 . 1 . . . . . 5 PRO CG . 17254 1 64 . 1 1 5 5 PRO CD C 13 50.870 0.077 . 1 . . . . . 5 PRO CD . 17254 1 65 . 1 1 6 6 GLY H H 1 8.423 0.007 . 1 . . . . . 6 GLY HN . 17254 1 66 . 1 1 6 6 GLY HA2 H 1 3.953 0.006 . 2 . . . . . 6 GLY HA2 . 17254 1 67 . 1 1 6 6 GLY HA3 H 1 3.792 0.017 . 1 . . . . . 6 GLY HA3 . 17254 1 68 . 1 1 6 6 GLY C C 13 174.082 0.002 . 1 . . . . . 6 GLY C . 17254 1 69 . 1 1 6 6 GLY CA C 13 45.146 0.100 . 1 . . . . . 6 GLY CA . 17254 1 70 . 1 1 7 7 GLN H H 1 7.986 0.007 . 1 . . . . . 7 GLN HN . 17254 1 71 . 1 1 7 7 GLN HA H 1 4.585 0.009 . 1 . . . . . 7 GLN HA . 17254 1 72 . 1 1 7 7 GLN HB2 H 1 2.045 0.006 . 2 . . . . . 7 GLN HB2 . 17254 1 73 . 1 1 7 7 GLN HB3 H 1 1.908 0.014 . 2 . . . . . 7 GLN HB3 . 17254 1 74 . 1 1 7 7 GLN HG2 H 1 2.282 0.014 . 2 . . . . . 7 GLN QG . 17254 1 75 . 1 1 7 7 GLN HG3 H 1 2.282 0.014 . 2 . . . . . 7 GLN QG . 17254 1 76 . 1 1 7 7 GLN HE21 H 1 7.517 0.004 . 2 . . . . . 7 GLN HE21 . 17254 1 77 . 1 1 7 7 GLN HE22 H 1 6.826 0.004 . 2 . . . . . 7 GLN HE22 . 17254 1 78 . 1 1 7 7 GLN C C 13 173.973 0.000 . 1 . . . . . 7 GLN C . 17254 1 79 . 1 1 7 7 GLN CA C 13 53.522 0.154 . 1 . . . . . 7 GLN CA . 17254 1 80 . 1 1 7 7 GLN CB C 13 28.955 0.210 . 1 . . . . . 7 GLN CB . 17254 1 81 . 1 1 7 7 GLN CG C 13 33.526 0.127 . 1 . . . . . 7 GLN CG . 17254 1 82 . 1 1 7 7 GLN CD C 13 180.521 0.000 . 1 . . . . . 7 GLN CD . 17254 1 83 . 1 1 7 7 GLN NE2 N 15 112.403 0.227 . 1 . . . . . 7 GLN NE2 . 17254 1 84 . 1 1 8 8 PRO HA H 1 4.423 0.007 . 1 . . . . . 8 PRO HA . 17254 1 85 . 1 1 8 8 PRO HB2 H 1 2.225 0.010 . 2 . . . . . 8 PRO HB2 . 17254 1 86 . 1 1 8 8 PRO HB3 H 1 1.836 0.014 . 2 . . . . . 8 PRO HB3 . 17254 1 87 . 1 1 8 8 PRO HG2 H 1 1.961 0.004 . 2 . . . . . 8 PRO HG2 . 17254 1 88 . 1 1 8 8 PRO HG3 H 1 1.923 0.000 . 2 . . . . . 8 PRO HG3 . 17254 1 89 . 1 1 8 8 PRO HD2 H 1 3.750 0.006 . 2 . . . . . 8 PRO HD2 . 17254 1 90 . 1 1 8 8 PRO HD3 H 1 3.589 0.005 . 2 . . . . . 8 PRO HD3 . 17254 1 91 . 1 1 8 8 PRO C C 13 176.778 0.000 . 1 . . . . . 8 PRO C . 17254 1 92 . 1 1 8 8 PRO CA C 13 63.117 0.181 . 1 . . . . . 8 PRO CA . 17254 1 93 . 1 1 8 8 PRO CB C 13 32.034 0.063 . 1 . . . . . 8 PRO CB . 17254 1 94 . 1 1 8 8 PRO CG C 13 27.453 0.080 . 1 . . . . . 8 PRO CG . 17254 1 95 . 1 1 8 8 PRO CD C 13 50.580 0.044 . 1 . . . . . 8 PRO CD . 17254 1 96 . 1 1 9 9 VAL H H 1 8.296 0.004 . 1 . . . . . 9 VAL HN . 17254 1 97 . 1 1 9 9 VAL HA H 1 4.172 0.008 . 1 . . . . . 9 VAL HA . 17254 1 98 . 1 1 9 9 VAL HB H 1 2.018 0.009 . 1 . . . . . 9 VAL HB . 17254 1 99 . 1 1 9 9 VAL HG11 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 100 . 1 1 9 9 VAL HG12 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 101 . 1 1 9 9 VAL HG13 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 102 . 1 1 9 9 VAL HG21 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 103 . 1 1 9 9 VAL HG22 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 104 . 1 1 9 9 VAL HG23 H 1 0.893 0.006 . 1 . . . . . 9 VAL QQG . 17254 1 105 . 1 1 9 9 VAL C C 13 176.386 0.000 . 1 . . . . . 9 VAL C . 17254 1 106 . 1 1 9 9 VAL CA C 13 62.342 0.349 . 1 . . . . . 9 VAL CA . 17254 1 107 . 1 1 9 9 VAL CB C 13 32.781 0.227 . 1 . . . . . 9 VAL CB . 17254 1 108 . 1 1 9 9 VAL CG1 C 13 20.775 0.185 . 2 . . . . . 9 VAL CG1 . 17254 1 109 . 1 1 9 9 VAL N N 15 120.566 0.079 . 1 . . . . . 9 VAL N . 17254 1 110 . 1 1 10 10 THR H H 1 8.235 0.011 . 1 . . . . . 10 THR HN . 17254 1 111 . 1 1 10 10 THR HA H 1 4.321 0.007 . 1 . . . . . 10 THR HA . 17254 1 112 . 1 1 10 10 THR HB H 1 4.157 0.005 . 1 . . . . . 10 THR HB . 17254 1 113 . 1 1 10 10 THR HG21 H 1 1.124 0.008 . 1 . . . . . 10 THR QG2 . 17254 1 114 . 1 1 10 10 THR HG22 H 1 1.124 0.008 . 1 . . . . . 10 THR QG2 . 17254 1 115 . 1 1 10 10 THR HG23 H 1 1.124 0.008 . 1 . . . . . 10 THR QG2 . 17254 1 116 . 1 1 10 10 THR C C 13 173.499 0.000 . 1 . . . . . 10 THR C . 17254 1 117 . 1 1 10 10 THR CA C 13 61.590 0.080 . 1 . . . . . 10 THR CA . 17254 1 118 . 1 1 10 10 THR CB C 13 69.954 0.114 . 1 . . . . . 10 THR CB . 17254 1 119 . 1 1 10 10 THR CG2 C 13 21.537 0.048 . 1 . . . . . 10 THR CG2 . 17254 1 120 . 1 1 10 10 THR N N 15 117.806 0.101 . 1 . . . . . 10 THR N . 17254 1 121 . 1 1 11 11 ALA H H 1 8.073 0.006 . 1 . . . . . 11 ALA HN . 17254 1 122 . 1 1 11 11 ALA HA H 1 4.540 0.007 . 1 . . . . . 11 ALA HA . 17254 1 123 . 1 1 11 11 ALA HB1 H 1 1.262 0.006 . 1 . . . . . 11 ALA QB . 17254 1 124 . 1 1 11 11 ALA HB2 H 1 1.262 0.006 . 1 . . . . . 11 ALA QB . 17254 1 125 . 1 1 11 11 ALA HB3 H 1 1.262 0.006 . 1 . . . . . 11 ALA QB . 17254 1 126 . 1 1 11 11 ALA C C 13 174.666 0.000 . 1 . . . . . 11 ALA C . 17254 1 127 . 1 1 11 11 ALA CA C 13 52.007 0.120 . 1 . . . . . 11 ALA CA . 17254 1 128 . 1 1 11 11 ALA CB C 13 19.875 0.174 . 1 . . . . . 11 ALA CB . 17254 1 129 . 1 1 11 11 ALA N N 15 126.558 0.059 . 1 . . . . . 11 ALA N . 17254 1 130 . 1 1 12 12 VAL H H 1 8.484 0.012 . 1 . . . . . 12 VAL HN . 17254 1 131 . 1 1 12 12 VAL HA H 1 4.204 0.007 . 1 . . . . . 12 VAL HA . 17254 1 132 . 1 1 12 12 VAL HB H 1 1.984 0.012 . 1 . . . . . 12 VAL HB . 17254 1 133 . 1 1 12 12 VAL HG11 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 134 . 1 1 12 12 VAL HG12 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 135 . 1 1 12 12 VAL HG13 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 136 . 1 1 12 12 VAL HG21 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 137 . 1 1 12 12 VAL HG22 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 138 . 1 1 12 12 VAL HG23 H 1 0.852 0.016 . 1 . . . . . 12 VAL QQG . 17254 1 139 . 1 1 12 12 VAL C C 13 174.990 0.000 . 1 . . . . . 12 VAL C . 17254 1 140 . 1 1 12 12 VAL CA C 13 61.618 0.065 . 1 . . . . . 12 VAL CA . 17254 1 141 . 1 1 12 12 VAL CB C 13 33.104 0.453 . 1 . . . . . 12 VAL CB . 17254 1 142 . 1 1 12 12 VAL CG1 C 13 20.922 0.145 . 2 . . . . . 12 VAL CG1 . 17254 1 143 . 1 1 12 12 VAL N N 15 120.498 0.138 . 1 . . . . . 12 VAL N . 17254 1 144 . 1 1 13 13 VAL H H 1 8.118 0.008 . 1 . . . . . 13 VAL HN . 17254 1 145 . 1 1 13 13 VAL HA H 1 4.843 0.013 . 1 . . . . . 13 VAL HA . 17254 1 146 . 1 1 13 13 VAL HB H 1 1.817 0.019 . 1 . . . . . 13 VAL HB . 17254 1 147 . 1 1 13 13 VAL HG11 H 1 0.769 0.012 . 1 . . . . . 13 VAL QG1 . 17254 1 148 . 1 1 13 13 VAL HG12 H 1 0.769 0.012 . 1 . . . . . 13 VAL QG1 . 17254 1 149 . 1 1 13 13 VAL HG13 H 1 0.769 0.012 . 1 . . . . . 13 VAL QG1 . 17254 1 150 . 1 1 13 13 VAL HG21 H 1 0.817 0.004 . 1 . . . . . 13 VAL QG2 . 17254 1 151 . 1 1 13 13 VAL HG22 H 1 0.817 0.004 . 1 . . . . . 13 VAL QG2 . 17254 1 152 . 1 1 13 13 VAL HG23 H 1 0.817 0.004 . 1 . . . . . 13 VAL QG2 . 17254 1 153 . 1 1 13 13 VAL C C 13 176.141 0.000 . 1 . . . . . 13 VAL C . 17254 1 154 . 1 1 13 13 VAL CA C 13 60.986 0.147 . 1 . . . . . 13 VAL CA . 17254 1 155 . 1 1 13 13 VAL CB C 13 33.144 0.108 . 1 . . . . . 13 VAL CB . 17254 1 156 . 1 1 13 13 VAL CG1 C 13 21.551 0.036 . 2 . . . . . 13 VAL CG1 . 17254 1 157 . 1 1 13 13 VAL CG2 C 13 20.761 0.033 . 2 . . . . . 13 VAL CG2 . 17254 1 158 . 1 1 13 13 VAL N N 15 124.007 0.110 . 1 . . . . . 13 VAL N . 17254 1 159 . 1 1 14 14 GLN H H 1 9.054 0.017 . 1 . . . . . 14 GLN HN . 17254 1 160 . 1 1 14 14 GLN HA H 1 4.614 0.013 . 1 . . . . . 14 GLN HA . 17254 1 161 . 1 1 14 14 GLN HB2 H 1 1.592 0.014 . 2 . . . . . 14 GLN HB2 . 17254 1 162 . 1 1 14 14 GLN HB3 H 1 1.769 0.012 . 2 . . . . . 14 GLN HB3 . 17254 1 163 . 1 1 14 14 GLN HG2 H 1 2.045 0.008 . 2 . . . . . 14 GLN HG2 . 17254 1 164 . 1 1 14 14 GLN HG3 H 1 2.014 0.008 . 2 . . . . . 14 GLN HG3 . 17254 1 165 . 1 1 14 14 GLN HE21 H 1 7.124 0.007 . 2 . . . . . 14 GLN HE21 . 17254 1 166 . 1 1 14 14 GLN HE22 H 1 6.719 0.012 . 2 . . . . . 14 GLN HE22 . 17254 1 167 . 1 1 14 14 GLN C C 13 173.870 0.000 . 1 . . . . . 14 GLN C . 17254 1 168 . 1 1 14 14 GLN CA C 13 53.934 0.071 . 1 . . . . . 14 GLN CA . 17254 1 169 . 1 1 14 14 GLN CB C 13 32.143 0.104 . 1 . . . . . 14 GLN CB . 17254 1 170 . 1 1 14 14 GLN CG C 13 33.046 0.148 . 1 . . . . . 14 GLN CG . 17254 1 171 . 1 1 14 14 GLN CD C 13 179.198 0.015 . 1 . . . . . 14 GLN CD . 17254 1 172 . 1 1 14 14 GLN N N 15 124.757 0.104 . 1 . . . . . 14 GLN N . 17254 1 173 . 1 1 14 14 GLN NE2 N 15 110.972 0.081 . 1 . . . . . 14 GLN NE2 . 17254 1 174 . 1 1 15 15 ARG H H 1 8.602 0.019 . 1 . . . . . 15 ARG HN . 17254 1 175 . 1 1 15 15 ARG HA H 1 5.036 0.009 . 1 . . . . . 15 ARG HA . 17254 1 176 . 1 1 15 15 ARG HB2 H 1 1.732 0.012 . 1 . . . . . 15 ARG HB2 . 17254 1 177 . 1 1 15 15 ARG HB3 H 1 1.618 0.022 . 1 . . . . . 15 ARG HB3 . 17254 1 178 . 1 1 15 15 ARG HG2 H 1 1.493 0.018 . 1 . . . . . 15 ARG HG2 . 17254 1 179 . 1 1 15 15 ARG HG3 H 1 1.390 0.029 . 1 . . . . . 15 ARG HG3 . 17254 1 180 . 1 1 15 15 ARG HD2 H 1 3.089 0.020 . 1 . . . . . 15 ARG QD . 17254 1 181 . 1 1 15 15 ARG HD3 H 1 3.089 0.020 . 1 . . . . . 15 ARG QD . 17254 1 182 . 1 1 15 15 ARG HE H 1 7.172 0.000 . 1 . . . . . 15 ARG HE . 17254 1 183 . 1 1 15 15 ARG C C 13 176.081 0.000 . 1 . . . . . 15 ARG C . 17254 1 184 . 1 1 15 15 ARG CA C 13 55.278 0.077 . 1 . . . . . 15 ARG CA . 17254 1 185 . 1 1 15 15 ARG CB C 13 31.198 0.119 . 1 . . . . . 15 ARG CB . 17254 1 186 . 1 1 15 15 ARG CG C 13 27.710 0.196 . 1 . . . . . 15 ARG CG . 17254 1 187 . 1 1 15 15 ARG CD C 13 43.277 0.176 . 1 . . . . . 15 ARG CD . 17254 1 188 . 1 1 15 15 ARG N N 15 123.970 0.074 . 1 . . . . . 15 ARG N . 17254 1 189 . 1 1 16 16 VAL H H 1 8.694 0.005 . 1 . . . . . 16 VAL HN . 17254 1 190 . 1 1 16 16 VAL HA H 1 4.304 0.013 . 1 . . . . . 16 VAL HA . 17254 1 191 . 1 1 16 16 VAL HB H 1 1.640 0.009 . 1 . . . . . 16 VAL HB . 17254 1 192 . 1 1 16 16 VAL HG11 H 1 0.593 0.010 . 1 . . . . . 16 VAL QG1 . 17254 1 193 . 1 1 16 16 VAL HG12 H 1 0.593 0.010 . 1 . . . . . 16 VAL QG1 . 17254 1 194 . 1 1 16 16 VAL HG13 H 1 0.593 0.010 . 1 . . . . . 16 VAL QG1 . 17254 1 195 . 1 1 16 16 VAL HG21 H 1 0.640 0.013 . 1 . . . . . 16 VAL QG2 . 17254 1 196 . 1 1 16 16 VAL HG22 H 1 0.640 0.013 . 1 . . . . . 16 VAL QG2 . 17254 1 197 . 1 1 16 16 VAL HG23 H 1 0.640 0.013 . 1 . . . . . 16 VAL QG2 . 17254 1 198 . 1 1 16 16 VAL C C 13 173.773 0.000 . 1 . . . . . 16 VAL C . 17254 1 199 . 1 1 16 16 VAL CA C 13 61.220 0.141 . 1 . . . . . 16 VAL CA . 17254 1 200 . 1 1 16 16 VAL CB C 13 35.353 0.098 . 1 . . . . . 16 VAL CB . 17254 1 201 . 1 1 16 16 VAL CG1 C 13 20.673 0.122 . 2 . . . . . 16 VAL CG1 . 17254 1 202 . 1 1 16 16 VAL CG2 C 13 21.548 0.058 . 2 . . . . . 16 VAL CG2 . 17254 1 203 . 1 1 16 16 VAL N N 15 124.820 0.096 . 1 . . . . . 16 VAL N . 17254 1 204 . 1 1 17 17 GLU H H 1 9.160 0.017 . 1 . . . . . 17 GLU HN . 17254 1 205 . 1 1 17 17 GLU HA H 1 4.939 0.012 . 1 . . . . . 17 GLU HA . 17254 1 206 . 1 1 17 17 GLU HB2 H 1 1.907 0.012 . 1 . . . . . 17 GLU QB . 17254 1 207 . 1 1 17 17 GLU HB3 H 1 1.907 0.012 . 1 . . . . . 17 GLU QB . 17254 1 208 . 1 1 17 17 GLU HG2 H 1 1.920 0.008 . 1 . . . . . 17 GLU HG2 . 17254 1 209 . 1 1 17 17 GLU HG3 H 1 1.764 0.006 . 1 . . . . . 17 GLU HG3 . 17254 1 210 . 1 1 17 17 GLU C C 13 173.810 0.000 . 1 . . . . . 17 GLU C . 17254 1 211 . 1 1 17 17 GLU CA C 13 55.088 0.119 . 1 . . . . . 17 GLU CA . 17254 1 212 . 1 1 17 17 GLU CB C 13 31.524 0.058 . 1 . . . . . 17 GLU CB . 17254 1 213 . 1 1 17 17 GLU CG C 13 37.513 0.055 . 1 . . . . . 17 GLU CG . 17254 1 214 . 1 1 17 17 GLU N N 15 129.391 0.194 . 1 . . . . . 17 GLU N . 17254 1 215 . 1 1 18 18 ILE H H 1 8.830 0.006 . 1 . . . . . 18 ILE HN . 17254 1 216 . 1 1 18 18 ILE HA H 1 4.134 0.011 . 1 . . . . . 18 ILE HA . 17254 1 217 . 1 1 18 18 ILE HB H 1 1.780 0.016 . 1 . . . . . 18 ILE HB . 17254 1 218 . 1 1 18 18 ILE HG12 H 1 1.451 0.013 . 1 . . . . . 18 ILE QG1 . 17254 1 219 . 1 1 18 18 ILE HG13 H 1 1.451 0.013 . 1 . . . . . 18 ILE QG1 . 17254 1 220 . 1 1 18 18 ILE HG21 H 1 0.779 0.012 . 1 . . . . . 18 ILE QG2 . 17254 1 221 . 1 1 18 18 ILE HG22 H 1 0.779 0.012 . 1 . . . . . 18 ILE QG2 . 17254 1 222 . 1 1 18 18 ILE HG23 H 1 0.779 0.012 . 1 . . . . . 18 ILE QG2 . 17254 1 223 . 1 1 18 18 ILE HD11 H 1 0.707 0.007 . 1 . . . . . 18 ILE QD1 . 17254 1 224 . 1 1 18 18 ILE HD12 H 1 0.707 0.007 . 1 . . . . . 18 ILE QD1 . 17254 1 225 . 1 1 18 18 ILE HD13 H 1 0.707 0.007 . 1 . . . . . 18 ILE QD1 . 17254 1 226 . 1 1 18 18 ILE C C 13 174.777 0.000 . 1 . . . . . 18 ILE C . 17254 1 227 . 1 1 18 18 ILE CA C 13 60.643 0.163 . 1 . . . . . 18 ILE CA . 17254 1 228 . 1 1 18 18 ILE CB C 13 40.096 0.062 . 1 . . . . . 18 ILE CB . 17254 1 229 . 1 1 18 18 ILE CG1 C 13 25.828 0.000 . 1 . . . . . 18 ILE CG1 . 17254 1 230 . 1 1 18 18 ILE CG2 C 13 17.090 0.058 . 1 . . . . . 18 ILE CG2 . 17254 1 231 . 1 1 18 18 ILE CD1 C 13 15.700 0.019 . 1 . . . . . 18 ILE CD1 . 17254 1 232 . 1 1 18 18 ILE N N 15 124.847 0.356 . 1 . . . . . 18 ILE N . 17254 1 233 . 1 1 19 19 HIS H H 1 8.856 0.014 . 1 . . . . . 19 HIS HN . 17254 1 234 . 1 1 19 19 HIS HA H 1 4.745 0.012 . 1 . . . . . 19 HIS HA . 17254 1 235 . 1 1 19 19 HIS HB2 H 1 3.157 0.018 . 2 . . . . . 19 HIS HB2 . 17254 1 236 . 1 1 19 19 HIS HB3 H 1 3.104 0.016 . 2 . . . . . 19 HIS HB3 . 17254 1 237 . 1 1 19 19 HIS HD2 H 1 7.170 0.009 . 1 . . . . . 19 HIS HD2 . 17254 1 238 . 1 1 19 19 HIS HE1 H 1 8.299 0.004 . 1 . . . . . 19 HIS HE1 . 17254 1 239 . 1 1 19 19 HIS C C 13 173.997 0.000 . 1 . . . . . 19 HIS C . 17254 1 240 . 1 1 19 19 HIS CA C 13 54.532 0.092 . 1 . . . . . 19 HIS CA . 17254 1 241 . 1 1 19 19 HIS CB C 13 28.489 0.119 . 1 . . . . . 19 HIS CB . 17254 1 242 . 1 1 19 19 HIS CD2 C 13 119.487 0.024 . 1 . . . . . 19 HIS CD2 . 17254 1 243 . 1 1 19 19 HIS CE1 C 13 136.510 0.040 . 1 . . . . . 19 HIS CE1 . 17254 1 244 . 1 1 19 19 HIS N N 15 128.321 0.263 . 1 . . . . . 19 HIS N . 17254 1 245 . 1 1 20 20 LYS H H 1 8.545 0.011 . 1 . . . . . 20 LYS HN . 17254 1 246 . 1 1 20 20 LYS HA H 1 4.019 0.008 . 1 . . . . . 20 LYS HA . 17254 1 247 . 1 1 20 20 LYS HB2 H 1 2.117 0.009 . 1 . . . . . 20 LYS QB . 17254 1 248 . 1 1 20 20 LYS HB3 H 1 2.117 0.009 . 1 . . . . . 20 LYS QB . 17254 1 249 . 1 1 20 20 LYS HG2 H 1 1.550 0.010 . 1 . . . . . 20 LYS QG . 17254 1 250 . 1 1 20 20 LYS HG3 H 1 1.550 0.010 . 1 . . . . . 20 LYS QG . 17254 1 251 . 1 1 20 20 LYS HE2 H 1 3.139 0.003 . 1 . . . . . 20 LYS QE . 17254 1 252 . 1 1 20 20 LYS HE3 H 1 3.139 0.003 . 1 . . . . . 20 LYS QE . 17254 1 253 . 1 1 20 20 LYS C C 13 175.603 0.000 . 1 . . . . . 20 LYS C . 17254 1 254 . 1 1 20 20 LYS CA C 13 57.826 0.121 . 1 . . . . . 20 LYS CA . 17254 1 255 . 1 1 20 20 LYS CB C 13 35.025 0.000 . 1 . . . . . 20 LYS CB . 17254 1 256 . 1 1 20 20 LYS N N 15 123.322 0.146 . 1 . . . . . 20 LYS N . 17254 1 257 . 1 1 21 21 LEU H H 1 8.155 0.007 . 1 . . . . . 21 LEU HN . 17254 1 258 . 1 1 21 21 LEU HA H 1 4.535 0.024 . 1 . . . . . 21 LEU HA . 17254 1 259 . 1 1 21 21 LEU HB2 H 1 2.006 0.001 . 2 . . . . . 21 LEU QB . 17254 1 260 . 1 1 21 21 LEU HB3 H 1 2.006 0.001 . 2 . . . . . 21 LEU QB . 17254 1 261 . 1 1 21 21 LEU HG H 1 1.190 0.004 . 1 . . . . . 21 LEU HG . 17254 1 262 . 1 1 21 21 LEU HD11 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 263 . 1 1 21 21 LEU HD12 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 264 . 1 1 21 21 LEU HD13 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 265 . 1 1 21 21 LEU HD21 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 266 . 1 1 21 21 LEU HD22 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 267 . 1 1 21 21 LEU HD23 H 1 0.885 0.032 . 1 . . . . . 21 LEU QQD . 17254 1 268 . 1 1 21 21 LEU C C 13 175.742 0.000 . 1 . . . . . 21 LEU C . 17254 1 269 . 1 1 21 21 LEU CA C 13 53.469 0.032 . 1 . . . . . 21 LEU CA . 17254 1 270 . 1 1 21 21 LEU CB C 13 37.528 0.000 . 1 . . . . . 21 LEU CB . 17254 1 271 . 1 1 21 21 LEU N N 15 122.807 0.047 . 1 . . . . . 21 LEU N . 17254 1 272 . 1 1 22 22 ARG H H 1 8.739 0.019 . 1 . . . . . 22 ARG HN . 17254 1 273 . 1 1 22 22 ARG HA H 1 4.728 0.013 . 1 . . . . . 22 ARG HA . 17254 1 274 . 1 1 22 22 ARG HB2 H 1 1.764 0.004 . 1 . . . . . 22 ARG HB2 . 17254 1 275 . 1 1 22 22 ARG HB3 H 1 1.611 0.003 . 1 . . . . . 22 ARG HB3 . 17254 1 276 . 1 1 22 22 ARG HG2 H 1 1.458 0.014 . 1 . . . . . 22 ARG QG . 17254 1 277 . 1 1 22 22 ARG HG3 H 1 1.458 0.014 . 1 . . . . . 22 ARG QG . 17254 1 278 . 1 1 22 22 ARG HD2 H 1 3.201 0.004 . 1 . . . . . 22 ARG HD2 . 17254 1 279 . 1 1 22 22 ARG HD3 H 1 3.085 0.011 . 1 . . . . . 22 ARG HD3 . 17254 1 280 . 1 1 22 22 ARG HE H 1 7.348 0.007 . 1 . . . . . 22 ARG HE . 17254 1 281 . 1 1 22 22 ARG C C 13 175.822 0.000 . 1 . . . . . 22 ARG C . 17254 1 282 . 1 1 22 22 ARG CA C 13 56.008 0.088 . 1 . . . . . 22 ARG CA . 17254 1 283 . 1 1 22 22 ARG CB C 13 30.409 0.134 . 1 . . . . . 22 ARG CB . 17254 1 284 . 1 1 22 22 ARG CG C 13 27.531 0.096 . 1 . . . . . 22 ARG CG . 17254 1 285 . 1 1 22 22 ARG CD C 13 43.082 0.115 . 1 . . . . . 22 ARG CD . 17254 1 286 . 1 1 22 22 ARG N N 15 126.951 0.142 . 1 . . . . . 22 ARG N . 17254 1 287 . 1 1 23 23 GLN H H 1 8.593 0.016 . 1 . . . . . 23 GLN HN . 17254 1 288 . 1 1 23 23 GLN HA H 1 4.477 0.010 . 1 . . . . . 23 GLN HA . 17254 1 289 . 1 1 23 23 GLN HB2 H 1 1.935 0.010 . 2 . . . . . 23 GLN HB2 . 17254 1 290 . 1 1 23 23 GLN HB3 H 1 1.727 0.015 . 2 . . . . . 23 GLN HB3 . 17254 1 291 . 1 1 23 23 GLN HG2 H 1 2.153 0.005 . 2 . . . . . 23 GLN QG . 17254 1 292 . 1 1 23 23 GLN HG3 H 1 2.153 0.005 . 2 . . . . . 23 GLN QG . 17254 1 293 . 1 1 23 23 GLN HE21 H 1 7.468 0.020 . 2 . . . . . 23 GLN HE21 . 17254 1 294 . 1 1 23 23 GLN HE22 H 1 6.799 0.024 . 2 . . . . . 23 GLN HE22 . 17254 1 295 . 1 1 23 23 GLN C C 13 175.431 0.000 . 1 . . . . . 23 GLN C . 17254 1 296 . 1 1 23 23 GLN CA C 13 54.863 0.238 . 1 . . . . . 23 GLN CA . 17254 1 297 . 1 1 23 23 GLN CB C 13 30.434 0.096 . 1 . . . . . 23 GLN CB . 17254 1 298 . 1 1 23 23 GLN CG C 13 33.911 0.177 . 1 . . . . . 23 GLN CG . 17254 1 299 . 1 1 23 23 GLN CD C 13 180.314 0.000 . 1 . . . . . 23 GLN CD . 17254 1 300 . 1 1 23 23 GLN N N 15 128.950 0.159 . 1 . . . . . 23 GLN N . 17254 1 301 . 1 1 23 23 GLN NE2 N 15 111.693 0.134 . 1 . . . . . 23 GLN NE2 . 17254 1 302 . 1 1 24 24 GLY H H 1 9.009 0.021 . 1 . . . . . 24 GLY HN . 17254 1 303 . 1 1 24 24 GLY HA2 H 1 3.597 0.005 . 2 . . . . . 24 GLY HA2 . 17254 1 304 . 1 1 24 24 GLY HA3 H 1 3.961 0.010 . 1 . . . . . 24 GLY HA3 . 17254 1 305 . 1 1 24 24 GLY C C 13 174.958 0.000 . 1 . . . . . 24 GLY C . 17254 1 306 . 1 1 24 24 GLY CA C 13 46.981 0.085 . 1 . . . . . 24 GLY CA . 17254 1 307 . 1 1 24 24 GLY N N 15 117.269 0.084 . 1 . . . . . 24 GLY N . 17254 1 308 . 1 1 25 25 GLU H H 1 9.063 0.021 . 1 . . . . . 25 GLU HN . 17254 1 309 . 1 1 25 25 GLU HA H 1 4.228 0.012 . 1 . . . . . 25 GLU HA . 17254 1 310 . 1 1 25 25 GLU HB2 H 1 2.153 0.003 . 1 . . . . . 25 GLU HB2 . 17254 1 311 . 1 1 25 25 GLU HB3 H 1 1.795 0.007 . 1 . . . . . 25 GLU HB3 . 17254 1 312 . 1 1 25 25 GLU HG2 H 1 2.223 0.006 . 1 . . . . . 25 GLU HG2 . 17254 1 313 . 1 1 25 25 GLU HG3 H 1 2.178 0.007 . 1 . . . . . 25 GLU HG3 . 17254 1 314 . 1 1 25 25 GLU C C 13 175.972 0.000 . 1 . . . . . 25 GLU C . 17254 1 315 . 1 1 25 25 GLU CA C 13 56.387 0.132 . 1 . . . . . 25 GLU CA . 17254 1 316 . 1 1 25 25 GLU CB C 13 29.895 0.069 . 1 . . . . . 25 GLU CB . 17254 1 317 . 1 1 25 25 GLU CG C 13 36.111 0.138 . 1 . . . . . 25 GLU CG . 17254 1 318 . 1 1 25 25 GLU N N 15 126.350 0.062 . 1 . . . . . 25 GLU N . 17254 1 319 . 1 1 26 26 ASN H H 1 8.000 0.016 . 1 . . . . . 26 ASN HN . 17254 1 320 . 1 1 26 26 ASN HA H 1 4.790 0.014 . 1 . . . . . 26 ASN HA . 17254 1 321 . 1 1 26 26 ASN HB2 H 1 2.824 0.011 . 2 . . . . . 26 ASN HB2 . 17254 1 322 . 1 1 26 26 ASN HB3 H 1 2.648 0.008 . 2 . . . . . 26 ASN HB3 . 17254 1 323 . 1 1 26 26 ASN HD21 H 1 7.631 0.025 . 2 . . . . . 26 ASN HD21 . 17254 1 324 . 1 1 26 26 ASN HD22 H 1 7.023 0.018 . 2 . . . . . 26 ASN HD22 . 17254 1 325 . 1 1 26 26 ASN C C 13 173.634 0.000 . 1 . . . . . 26 ASN C . 17254 1 326 . 1 1 26 26 ASN CA C 13 52.577 0.147 . 1 . . . . . 26 ASN CA . 17254 1 327 . 1 1 26 26 ASN CB C 13 41.154 0.186 . 1 . . . . . 26 ASN CB . 17254 1 328 . 1 1 26 26 ASN CG C 13 176.558 0.011 . 1 . . . . . 26 ASN CG . 17254 1 329 . 1 1 26 26 ASN N N 15 117.979 0.062 . 1 . . . . . 26 ASN N . 17254 1 330 . 1 1 26 26 ASN ND2 N 15 114.416 0.250 . 1 . . . . . 26 ASN ND2 . 17254 1 331 . 1 1 27 27 LEU H H 1 8.348 0.017 . 1 . . . . . 27 LEU HN . 17254 1 332 . 1 1 27 27 LEU HA H 1 4.898 0.011 . 1 . . . . . 27 LEU HA . 17254 1 333 . 1 1 27 27 LEU HB2 H 1 1.585 0.006 . 2 . . . . . 27 LEU QB . 17254 1 334 . 1 1 27 27 LEU HB3 H 1 1.585 0.006 . 2 . . . . . 27 LEU QB . 17254 1 335 . 1 1 27 27 LEU HG H 1 1.458 0.004 . 1 . . . . . 27 LEU HG . 17254 1 336 . 1 1 27 27 LEU HD11 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 337 . 1 1 27 27 LEU HD12 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 338 . 1 1 27 27 LEU HD13 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 339 . 1 1 27 27 LEU HD21 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 340 . 1 1 27 27 LEU HD22 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 341 . 1 1 27 27 LEU HD23 H 1 1.156 0.008 . 1 . . . . . 27 LEU QQD . 17254 1 342 . 1 1 27 27 LEU C C 13 176.417 0.000 . 1 . . . . . 27 LEU C . 17254 1 343 . 1 1 27 27 LEU CA C 13 52.631 0.137 . 1 . . . . . 27 LEU CA . 17254 1 344 . 1 1 27 27 LEU CB C 13 41.098 0.000 . 1 . . . . . 27 LEU CB . 17254 1 345 . 1 1 27 27 LEU N N 15 122.555 0.249 . 1 . . . . . 27 LEU N . 17254 1 346 . 1 1 28 28 ILE H H 1 9.382 0.007 . 1 . . . . . 28 ILE HN . 17254 1 347 . 1 1 28 28 ILE HA H 1 4.206 0.012 . 1 . . . . . 28 ILE HA . 17254 1 348 . 1 1 28 28 ILE HB H 1 1.973 0.013 . 1 . . . . . 28 ILE HB . 17254 1 349 . 1 1 28 28 ILE HG12 H 1 1.429 0.012 . 1 . . . . . 28 ILE QG1 . 17254 1 350 . 1 1 28 28 ILE HG13 H 1 1.429 0.012 . 1 . . . . . 28 ILE QG1 . 17254 1 351 . 1 1 28 28 ILE HG21 H 1 0.848 0.011 . 1 . . . . . 28 ILE QG2 . 17254 1 352 . 1 1 28 28 ILE HG22 H 1 0.848 0.011 . 1 . . . . . 28 ILE QG2 . 17254 1 353 . 1 1 28 28 ILE HG23 H 1 0.848 0.011 . 1 . . . . . 28 ILE QG2 . 17254 1 354 . 1 1 28 28 ILE HD11 H 1 0.738 0.012 . 1 . . . . . 28 ILE QD1 . 17254 1 355 . 1 1 28 28 ILE HD12 H 1 0.738 0.012 . 1 . . . . . 28 ILE QD1 . 17254 1 356 . 1 1 28 28 ILE HD13 H 1 0.738 0.012 . 1 . . . . . 28 ILE QD1 . 17254 1 357 . 1 1 28 28 ILE C C 13 175.951 0.000 . 1 . . . . . 28 ILE C . 17254 1 358 . 1 1 28 28 ILE CA C 13 60.342 0.105 . 1 . . . . . 28 ILE CA . 17254 1 359 . 1 1 28 28 ILE CB C 13 39.788 0.097 . 1 . . . . . 28 ILE CB . 17254 1 360 . 1 1 28 28 ILE CG2 C 13 17.767 0.038 . 1 . . . . . 28 ILE CG2 . 17254 1 361 . 1 1 28 28 ILE CD1 C 13 12.913 0.228 . 1 . . . . . 28 ILE CD1 . 17254 1 362 . 1 1 28 28 ILE N N 15 125.200 0.041 . 1 . . . . . 28 ILE N . 17254 1 363 . 1 1 29 29 LEU H H 1 8.479 0.009 . 1 . . . . . 29 LEU HN . 17254 1 364 . 1 1 29 29 LEU HA H 1 4.191 0.002 . 1 . . . . . 29 LEU HA . 17254 1 365 . 1 1 29 29 LEU HB2 H 1 2.207 0.000 . 2 . . . . . 29 LEU QB . 17254 1 366 . 1 1 29 29 LEU HB3 H 1 2.207 0.000 . 2 . . . . . 29 LEU QB . 17254 1 367 . 1 1 29 29 LEU HG H 1 1.471 0.005 . 1 . . . . . 29 LEU HG . 17254 1 368 . 1 1 29 29 LEU HD11 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 369 . 1 1 29 29 LEU HD12 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 370 . 1 1 29 29 LEU HD13 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 371 . 1 1 29 29 LEU HD21 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 372 . 1 1 29 29 LEU HD22 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 373 . 1 1 29 29 LEU HD23 H 1 0.694 0.003 . 1 . . . . . 29 LEU QQD . 17254 1 374 . 1 1 29 29 LEU CA C 13 60.290 0.124 . 1 . . . . . 29 LEU CA . 17254 1 375 . 1 1 29 29 LEU CB C 13 39.885 0.000 . 1 . . . . . 29 LEU CB . 17254 1 376 . 1 1 29 29 LEU N N 15 125.190 0.100 . 1 . . . . . 29 LEU N . 17254 1 377 . 1 1 30 30 GLY H H 1 8.105 0.013 . 1 . . . . . 30 GLY HN . 17254 1 378 . 1 1 30 30 GLY HA2 H 1 4.147 0.021 . 2 . . . . . 30 GLY HA2 . 17254 1 379 . 1 1 30 30 GLY HA3 H 1 3.955 0.009 . 1 . . . . . 30 GLY HA3 . 17254 1 380 . 1 1 30 30 GLY C C 13 175.420 0.000 . 1 . . . . . 30 GLY C . 17254 1 381 . 1 1 30 30 GLY CA C 13 45.440 0.121 . 1 . . . . . 30 GLY CA . 17254 1 382 . 1 1 30 30 GLY N N 15 101.065 0.083 . 1 . . . . . 30 GLY N . 17254 1 383 . 1 1 31 31 PHE H H 1 7.368 0.013 . 1 . . . . . 31 PHE HN . 17254 1 384 . 1 1 31 31 PHE HA H 1 5.178 0.008 . 1 . . . . . 31 PHE HA . 17254 1 385 . 1 1 31 31 PHE HB2 H 1 2.933 0.008 . 2 . . . . . 31 PHE HB2 . 17254 1 386 . 1 1 31 31 PHE HB3 H 1 2.544 0.026 . 2 . . . . . 31 PHE HB3 . 17254 1 387 . 1 1 31 31 PHE C C 13 172.251 0.000 . 1 . . . . . 31 PHE C . 17254 1 388 . 1 1 31 31 PHE CA C 13 56.738 0.151 . 1 . . . . . 31 PHE CA . 17254 1 389 . 1 1 31 31 PHE CB C 13 40.304 0.000 . 1 . . . . . 31 PHE CB . 17254 1 390 . 1 1 31 31 PHE N N 15 115.927 0.067 . 1 . . . . . 31 PHE N . 17254 1 391 . 1 1 32 32 SER H H 1 8.478 0.006 . 1 . . . . . 32 SER HN . 17254 1 392 . 1 1 32 32 SER HA H 1 4.762 0.013 . 1 . . . . . 32 SER HA . 17254 1 393 . 1 1 32 32 SER HB2 H 1 3.888 0.007 . 2 . . . . . 32 SER HB2 . 17254 1 394 . 1 1 32 32 SER HB3 H 1 3.508 0.018 . 2 . . . . . 32 SER HB3 . 17254 1 395 . 1 1 32 32 SER C C 13 173.334 0.000 . 1 . . . . . 32 SER C . 17254 1 396 . 1 1 32 32 SER CA C 13 56.879 0.094 . 1 . . . . . 32 SER CA . 17254 1 397 . 1 1 32 32 SER CB C 13 65.859 0.101 . 1 . . . . . 32 SER CB . 17254 1 398 . 1 1 32 32 SER N N 15 114.993 0.099 . 1 . . . . . 32 SER N . 17254 1 399 . 1 1 33 33 ILE H H 1 8.410 0.011 . 1 . . . . . 33 ILE HN . 17254 1 400 . 1 1 33 33 ILE HA H 1 5.701 0.014 . 1 . . . . . 33 ILE HA . 17254 1 401 . 1 1 33 33 ILE HB H 1 1.831 0.010 . 1 . . . . . 33 ILE HB . 17254 1 402 . 1 1 33 33 ILE HG12 H 1 1.363 0.012 . 1 . . . . . 33 ILE QG1 . 17254 1 403 . 1 1 33 33 ILE HG13 H 1 1.363 0.012 . 1 . . . . . 33 ILE QG1 . 17254 1 404 . 1 1 33 33 ILE HG21 H 1 0.768 0.009 . 1 . . . . . 33 ILE QG2 . 17254 1 405 . 1 1 33 33 ILE HG22 H 1 0.768 0.009 . 1 . . . . . 33 ILE QG2 . 17254 1 406 . 1 1 33 33 ILE HG23 H 1 0.768 0.009 . 1 . . . . . 33 ILE QG2 . 17254 1 407 . 1 1 33 33 ILE HD11 H 1 0.336 0.008 . 1 . . . . . 33 ILE QD1 . 17254 1 408 . 1 1 33 33 ILE HD12 H 1 0.336 0.008 . 1 . . . . . 33 ILE QD1 . 17254 1 409 . 1 1 33 33 ILE HD13 H 1 0.336 0.008 . 1 . . . . . 33 ILE QD1 . 17254 1 410 . 1 1 33 33 ILE C C 13 175.618 0.000 . 1 . . . . . 33 ILE C . 17254 1 411 . 1 1 33 33 ILE CA C 13 58.866 0.221 . 1 . . . . . 33 ILE CA . 17254 1 412 . 1 1 33 33 ILE CB C 13 43.721 0.045 . 1 . . . . . 33 ILE CB . 17254 1 413 . 1 1 33 33 ILE CG1 C 13 25.547 0.328 . 1 . . . . . 33 ILE CG1 . 17254 1 414 . 1 1 33 33 ILE CG2 C 13 20.198 0.073 . 1 . . . . . 33 ILE CG2 . 17254 1 415 . 1 1 33 33 ILE CD1 C 13 14.791 0.039 . 1 . . . . . 33 ILE CD1 . 17254 1 416 . 1 1 33 33 ILE N N 15 113.297 0.084 . 1 . . . . . 33 ILE N . 17254 1 417 . 1 1 34 34 GLY H H 1 9.260 0.008 . 1 . . . . . 34 GLY HN . 17254 1 418 . 1 1 34 34 GLY HA2 H 1 4.635 0.026 . 2 . . . . . 34 GLY HA2 . 17254 1 419 . 1 1 34 34 GLY HA3 H 1 3.627 0.008 . 1 . . . . . 34 GLY HA3 . 17254 1 420 . 1 1 34 34 GLY C C 13 172.247 0.000 . 1 . . . . . 34 GLY C . 17254 1 421 . 1 1 34 34 GLY CA C 13 43.631 0.051 . 1 . . . . . 34 GLY CA . 17254 1 422 . 1 1 34 34 GLY N N 15 109.829 0.507 . 1 . . . . . 34 GLY N . 17254 1 423 . 1 1 35 35 GLY H H 1 8.548 0.009 . 1 . . . . . 35 GLY HN . 17254 1 424 . 1 1 35 35 GLY HA2 H 1 5.269 0.012 . 2 . . . . . 35 GLY HA2 . 17254 1 425 . 1 1 35 35 GLY HA3 H 1 3.884 0.017 . 1 . . . . . 35 GLY HA3 . 17254 1 426 . 1 1 35 35 GLY C C 13 174.137 0.000 . 1 . . . . . 35 GLY C . 17254 1 427 . 1 1 35 35 GLY CA C 13 44.268 0.088 . 1 . . . . . 35 GLY CA . 17254 1 428 . 1 1 35 35 GLY N N 15 106.944 0.091 . 1 . . . . . 35 GLY N . 17254 1 429 . 1 1 36 36 GLY H H 1 6.664 0.016 . 1 . . . . . 36 GLY HN . 17254 1 430 . 1 1 36 36 GLY HA2 H 1 4.693 0.015 . 2 . . . . . 36 GLY HA2 . 17254 1 431 . 1 1 36 36 GLY HA3 H 1 3.978 0.012 . 1 . . . . . 36 GLY HA3 . 17254 1 432 . 1 1 36 36 GLY C C 13 177.680 0.000 . 1 . . . . . 36 GLY C . 17254 1 433 . 1 1 36 36 GLY CA C 13 43.807 0.078 . 1 . . . . . 36 GLY CA . 17254 1 434 . 1 1 36 36 GLY N N 15 105.448 0.110 . 1 . . . . . 36 GLY N . 17254 1 435 . 1 1 37 37 ILE H H 1 8.497 0.017 . 1 . . . . . 37 ILE HN . 17254 1 436 . 1 1 37 37 ILE HA H 1 4.124 0.012 . 1 . . . . . 37 ILE HA . 17254 1 437 . 1 1 37 37 ILE HB H 1 2.041 0.010 . 1 . . . . . 37 ILE HB . 17254 1 438 . 1 1 37 37 ILE HG12 H 1 1.282 0.010 . 2 . . . . . 37 ILE HG12 . 17254 1 439 . 1 1 37 37 ILE HG13 H 1 0.905 0.217 . 2 . . . . . 37 ILE HG13 . 17254 1 440 . 1 1 37 37 ILE HG21 H 1 0.961 0.009 . 1 . . . . . 37 ILE QG2 . 17254 1 441 . 1 1 37 37 ILE HG22 H 1 0.961 0.009 . 1 . . . . . 37 ILE QG2 . 17254 1 442 . 1 1 37 37 ILE HG23 H 1 0.961 0.009 . 1 . . . . . 37 ILE QG2 . 17254 1 443 . 1 1 37 37 ILE HD11 H 1 0.764 0.007 . 1 . . . . . 37 ILE QD1 . 17254 1 444 . 1 1 37 37 ILE HD12 H 1 0.764 0.007 . 1 . . . . . 37 ILE QD1 . 17254 1 445 . 1 1 37 37 ILE HD13 H 1 0.764 0.007 . 1 . . . . . 37 ILE QD1 . 17254 1 446 . 1 1 37 37 ILE C C 13 175.326 0.000 . 1 . . . . . 37 ILE C . 17254 1 447 . 1 1 37 37 ILE CA C 13 64.610 0.112 . 1 . . . . . 37 ILE CA . 17254 1 448 . 1 1 37 37 ILE CB C 13 37.810 0.220 . 1 . . . . . 37 ILE CB . 17254 1 449 . 1 1 37 37 ILE CG1 C 13 26.088 0.068 . 1 . . . . . 37 ILE CG1 . 17254 1 450 . 1 1 37 37 ILE CG2 C 13 17.973 0.087 . 1 . . . . . 37 ILE CG2 . 17254 1 451 . 1 1 37 37 ILE CD1 C 13 13.746 0.063 . 1 . . . . . 37 ILE CD1 . 17254 1 452 . 1 1 37 37 ILE N N 15 114.741 0.197 . 1 . . . . . 37 ILE N . 17254 1 453 . 1 1 38 38 ASP H H 1 9.781 0.004 . 1 . . . . . 38 ASP HN . 17254 1 454 . 1 1 38 38 ASP HA H 1 4.631 0.015 . 1 . . . . . 38 ASP HA . 17254 1 455 . 1 1 38 38 ASP HB2 H 1 2.930 0.007 . 1 . . . . . 38 ASP HB2 . 17254 1 456 . 1 1 38 38 ASP HB3 H 1 2.575 0.006 . 1 . . . . . 38 ASP HB3 . 17254 1 457 . 1 1 38 38 ASP C C 13 175.329 0.000 . 1 . . . . . 38 ASP C . 17254 1 458 . 1 1 38 38 ASP CA C 13 52.637 0.101 . 1 . . . . . 38 ASP CA . 17254 1 459 . 1 1 38 38 ASP CB C 13 39.794 0.078 . 1 . . . . . 38 ASP CB . 17254 1 460 . 1 1 38 38 ASP N N 15 117.982 0.084 . 1 . . . . . 38 ASP N . 17254 1 461 . 1 1 39 39 GLN H H 1 7.383 0.003 . 1 . . . . . 39 GLN HN . 17254 1 462 . 1 1 39 39 GLN HA H 1 4.432 0.009 . 1 . . . . . 39 GLN HA . 17254 1 463 . 1 1 39 39 GLN HB2 H 1 1.788 0.014 . 2 . . . . . 39 GLN QB . 17254 1 464 . 1 1 39 39 GLN HB3 H 1 1.788 0.014 . 2 . . . . . 39 GLN QB . 17254 1 465 . 1 1 39 39 GLN HG2 H 1 2.249 0.002 . 2 . . . . . 39 GLN HG2 . 17254 1 466 . 1 1 39 39 GLN HG3 H 1 2.120 0.016 . 2 . . . . . 39 GLN HG3 . 17254 1 467 . 1 1 39 39 GLN HE21 H 1 7.113 0.006 . 2 . . . . . 39 GLN HE21 . 17254 1 468 . 1 1 39 39 GLN HE22 H 1 6.750 0.006 . 2 . . . . . 39 GLN HE22 . 17254 1 469 . 1 1 39 39 GLN C C 13 175.123 0.000 . 1 . . . . . 39 GLN C . 17254 1 470 . 1 1 39 39 GLN CA C 13 53.809 0.135 . 1 . . . . . 39 GLN CA . 17254 1 471 . 1 1 39 39 GLN CB C 13 30.204 0.126 . 1 . . . . . 39 GLN CB . 17254 1 472 . 1 1 39 39 GLN CG C 13 33.853 0.040 . 1 . . . . . 39 GLN CG . 17254 1 473 . 1 1 39 39 GLN CD C 13 179.971 0.007 . 1 . . . . . 39 GLN CD . 17254 1 474 . 1 1 39 39 GLN N N 15 119.074 0.269 . 1 . . . . . 39 GLN N . 17254 1 475 . 1 1 39 39 GLN NE2 N 15 113.998 0.115 . 1 . . . . . 39 GLN NE2 . 17254 1 476 . 1 1 40 40 ASP H H 1 8.620 0.007 . 1 . . . . . 40 ASP HN . 17254 1 477 . 1 1 40 40 ASP HA H 1 4.838 0.010 . 1 . . . . . 40 ASP HA . 17254 1 478 . 1 1 40 40 ASP HB2 H 1 2.621 0.014 . 1 . . . . . 40 ASP HB2 . 17254 1 479 . 1 1 40 40 ASP HB3 H 1 2.793 0.012 . 1 . . . . . 40 ASP HB3 . 17254 1 480 . 1 1 40 40 ASP C C 13 176.434 0.000 . 1 . . . . . 40 ASP C . 17254 1 481 . 1 1 40 40 ASP CA C 13 51.380 0.083 . 1 . . . . . 40 ASP CA . 17254 1 482 . 1 1 40 40 ASP CB C 13 41.544 0.144 . 1 . . . . . 40 ASP CB . 17254 1 483 . 1 1 40 40 ASP N N 15 123.108 0.075 . 1 . . . . . 40 ASP N . 17254 1 484 . 1 1 41 41 PRO HA H 1 4.565 0.013 . 1 . . . . . 41 PRO HA . 17254 1 485 . 1 1 41 41 PRO HB2 H 1 2.166 0.012 . 2 . . . . . 41 PRO HB2 . 17254 1 486 . 1 1 41 41 PRO HB3 H 1 1.903 0.007 . 2 . . . . . 41 PRO HB3 . 17254 1 487 . 1 1 41 41 PRO HG2 H 1 2.019 0.005 . 2 . . . . . 41 PRO HG2 . 17254 1 488 . 1 1 41 41 PRO HG3 H 1 1.875 0.002 . 2 . . . . . 41 PRO HG3 . 17254 1 489 . 1 1 41 41 PRO HD2 H 1 4.081 0.009 . 2 . . . . . 41 PRO HD2 . 17254 1 490 . 1 1 41 41 PRO HD3 H 1 4.049 0.011 . 2 . . . . . 41 PRO HD3 . 17254 1 491 . 1 1 41 41 PRO C C 13 178.338 0.000 . 1 . . . . . 41 PRO C . 17254 1 492 . 1 1 41 41 PRO CA C 13 64.346 0.068 . 1 . . . . . 41 PRO CA . 17254 1 493 . 1 1 41 41 PRO CB C 13 31.943 0.070 . 1 . . . . . 41 PRO CB . 17254 1 494 . 1 1 41 41 PRO CG C 13 26.957 0.066 . 1 . . . . . 41 PRO CG . 17254 1 495 . 1 1 41 41 PRO CD C 13 51.031 0.103 . 1 . . . . . 41 PRO CD . 17254 1 496 . 1 1 42 42 SER H H 1 8.411 0.006 . 1 . . . . . 42 SER HN . 17254 1 497 . 1 1 42 42 SER HA H 1 4.150 0.008 . 1 . . . . . 42 SER HA . 17254 1 498 . 1 1 42 42 SER HB2 H 1 3.892 0.009 . 2 . . . . . 42 SER QB . 17254 1 499 . 1 1 42 42 SER HB3 H 1 3.892 0.009 . 2 . . . . . 42 SER QB . 17254 1 500 . 1 1 42 42 SER C C 13 175.292 0.000 . 1 . . . . . 42 SER C . 17254 1 501 . 1 1 42 42 SER CA C 13 61.065 0.114 . 1 . . . . . 42 SER CA . 17254 1 502 . 1 1 42 42 SER CB C 13 62.997 0.129 . 1 . . . . . 42 SER CB . 17254 1 503 . 1 1 42 42 SER N N 15 115.249 0.137 . 1 . . . . . 42 SER N . 17254 1 504 . 1 1 43 43 GLN H H 1 7.592 0.004 . 1 . . . . . 43 GLN HN . 17254 1 505 . 1 1 43 43 GLN HA H 1 4.200 0.006 . 1 . . . . . 43 GLN HA . 17254 1 506 . 1 1 43 43 GLN HB2 H 1 2.288 0.002 . 2 . . . . . 43 GLN HB2 . 17254 1 507 . 1 1 43 43 GLN HB3 H 1 1.872 0.023 . 2 . . . . . 43 GLN HB3 . 17254 1 508 . 1 1 43 43 GLN HG2 H 1 2.267 0.014 . 2 . . . . . 43 GLN QG . 17254 1 509 . 1 1 43 43 GLN HG3 H 1 2.267 0.014 . 2 . . . . . 43 GLN QG . 17254 1 510 . 1 1 43 43 GLN HE21 H 1 7.452 0.003 . 2 . . . . . 43 GLN HE21 . 17254 1 511 . 1 1 43 43 GLN HE22 H 1 6.772 0.005 . 2 . . . . . 43 GLN HE22 . 17254 1 512 . 1 1 43 43 GLN C C 13 174.995 0.000 . 1 . . . . . 43 GLN C . 17254 1 513 . 1 1 43 43 GLN CA C 13 54.837 0.100 . 1 . . . . . 43 GLN CA . 17254 1 514 . 1 1 43 43 GLN CB C 13 28.770 0.168 . 1 . . . . . 43 GLN CB . 17254 1 515 . 1 1 43 43 GLN CG C 13 33.649 0.050 . 1 . . . . . 43 GLN CG . 17254 1 516 . 1 1 43 43 GLN N N 15 118.424 0.117 . 1 . . . . . 43 GLN N . 17254 1 517 . 1 1 43 43 GLN NE2 N 15 113.049 0.071 . 1 . . . . . 43 GLN NE2 . 17254 1 518 . 1 1 44 44 ASN H H 1 7.229 0.008 . 1 . . . . . 44 ASN HN . 17254 1 519 . 1 1 44 44 ASN HA H 1 4.758 0.013 . 1 . . . . . 44 ASN HA . 17254 1 520 . 1 1 44 44 ASN HB2 H 1 2.722 0.013 . 2 . . . . . 44 ASN HB2 . 17254 1 521 . 1 1 44 44 ASN HB3 H 1 3.095 0.010 . 2 . . . . . 44 ASN HB3 . 17254 1 522 . 1 1 44 44 ASN C C 13 174.149 0.000 . 1 . . . . . 44 ASN C . 17254 1 523 . 1 1 44 44 ASN CA C 13 49.940 0.086 . 1 . . . . . 44 ASN CA . 17254 1 524 . 1 1 44 44 ASN CB C 13 38.914 0.113 . 1 . . . . . 44 ASN CB . 17254 1 525 . 1 1 44 44 ASN N N 15 119.643 0.119 . 1 . . . . . 44 ASN N . 17254 1 526 . 1 1 45 45 PRO HA H 1 4.146 0.009 . 1 . . . . . 45 PRO HA . 17254 1 527 . 1 1 45 45 PRO HB2 H 1 1.871 0.007 . 2 . . . . . 45 PRO HB2 . 17254 1 528 . 1 1 45 45 PRO HB3 H 1 1.033 0.009 . 2 . . . . . 45 PRO HB3 . 17254 1 529 . 1 1 45 45 PRO HG2 H 1 1.590 0.010 . 2 . . . . . 45 PRO HG2 . 17254 1 530 . 1 1 45 45 PRO HG3 H 1 0.892 0.012 . 2 . . . . . 45 PRO HG3 . 17254 1 531 . 1 1 45 45 PRO HD2 H 1 3.920 0.011 . 2 . . . . . 45 PRO HD2 . 17254 1 532 . 1 1 45 45 PRO HD3 H 1 3.451 0.011 . 2 . . . . . 45 PRO HD3 . 17254 1 533 . 1 1 45 45 PRO C C 13 176.973 0.000 . 1 . . . . . 45 PRO C . 17254 1 534 . 1 1 45 45 PRO CA C 13 63.394 0.086 . 1 . . . . . 45 PRO CA . 17254 1 535 . 1 1 45 45 PRO CB C 13 31.815 0.109 . 1 . . . . . 45 PRO CB . 17254 1 536 . 1 1 45 45 PRO CG C 13 25.836 0.151 . 1 . . . . . 45 PRO CG . 17254 1 537 . 1 1 45 45 PRO CD C 13 50.421 0.042 . 1 . . . . . 45 PRO CD . 17254 1 538 . 1 1 46 46 PHE H H 1 7.591 0.006 . 1 . . . . . 46 PHE HN . 17254 1 539 . 1 1 46 46 PHE HA H 1 4.347 0.032 . 1 . . . . . 46 PHE HA . 17254 1 540 . 1 1 46 46 PHE HB2 H 1 2.242 0.008 . 2 . . . . . 46 PHE HB2 . 17254 1 541 . 1 1 46 46 PHE HB3 H 1 3.125 0.008 . 2 . . . . . 46 PHE HB3 . 17254 1 542 . 1 1 46 46 PHE C C 13 174.993 0.000 . 1 . . . . . 46 PHE C . 17254 1 543 . 1 1 46 46 PHE CA C 13 57.466 0.183 . 1 . . . . . 46 PHE CA . 17254 1 544 . 1 1 46 46 PHE CB C 13 34.214 0.000 . 1 . . . . . 46 PHE CB . 17254 1 545 . 1 1 46 46 PHE N N 15 115.856 0.103 . 1 . . . . . 46 PHE N . 17254 1 546 . 1 1 47 47 SER H H 1 6.803 0.006 . 1 . . . . . 47 SER HN . 17254 1 547 . 1 1 47 47 SER HA H 1 4.194 0.006 . 1 . . . . . 47 SER HA . 17254 1 548 . 1 1 47 47 SER HB2 H 1 3.882 0.014 . 2 . . . . . 47 SER HB2 . 17254 1 549 . 1 1 47 47 SER HB3 H 1 3.558 0.005 . 2 . . . . . 47 SER HB3 . 17254 1 550 . 1 1 47 47 SER C C 13 175.363 0.000 . 1 . . . . . 47 SER C . 17254 1 551 . 1 1 47 47 SER CA C 13 56.830 0.119 . 1 . . . . . 47 SER CA . 17254 1 552 . 1 1 47 47 SER CB C 13 63.808 0.108 . 1 . . . . . 47 SER CB . 17254 1 553 . 1 1 47 47 SER N N 15 112.150 0.122 . 1 . . . . . 47 SER N . 17254 1 554 . 1 1 48 48 GLU H H 1 8.996 0.005 . 1 . . . . . 48 GLU HN . 17254 1 555 . 1 1 48 48 GLU HA H 1 4.124 0.018 . 1 . . . . . 48 GLU HA . 17254 1 556 . 1 1 48 48 GLU HB2 H 1 2.012 0.008 . 1 . . . . . 48 GLU HB2 . 17254 1 557 . 1 1 48 48 GLU HB3 H 1 1.946 0.019 . 1 . . . . . 48 GLU HB3 . 17254 1 558 . 1 1 48 48 GLU HG2 H 1 2.275 0.032 . 1 . . . . . 48 GLU HG2 . 17254 1 559 . 1 1 48 48 GLU HG3 H 1 2.193 0.015 . 1 . . . . . 48 GLU HG3 . 17254 1 560 . 1 1 48 48 GLU C C 13 176.307 0.000 . 1 . . . . . 48 GLU C . 17254 1 561 . 1 1 48 48 GLU CA C 13 57.980 0.082 . 1 . . . . . 48 GLU CA . 17254 1 562 . 1 1 48 48 GLU CB C 13 30.314 0.120 . 1 . . . . . 48 GLU CB . 17254 1 563 . 1 1 48 48 GLU CG C 13 36.446 0.116 . 1 . . . . . 48 GLU CG . 17254 1 564 . 1 1 48 48 GLU N N 15 124.463 0.074 . 1 . . . . . 48 GLU N . 17254 1 565 . 1 1 49 49 ASP H H 1 7.961 0.012 . 1 . . . . . 49 ASP HN . 17254 1 566 . 1 1 49 49 ASP HA H 1 4.566 0.006 . 1 . . . . . 49 ASP HA . 17254 1 567 . 1 1 49 49 ASP HB2 H 1 2.890 0.015 . 1 . . . . . 49 ASP HB2 . 17254 1 568 . 1 1 49 49 ASP HB3 H 1 2.658 0.007 . 1 . . . . . 49 ASP HB3 . 17254 1 569 . 1 1 49 49 ASP C C 13 176.656 0.000 . 1 . . . . . 49 ASP C . 17254 1 570 . 1 1 49 49 ASP CA C 13 52.844 0.131 . 1 . . . . . 49 ASP CA . 17254 1 571 . 1 1 49 49 ASP CB C 13 41.534 0.396 . 1 . . . . . 49 ASP CB . 17254 1 572 . 1 1 49 49 ASP N N 15 117.472 0.145 . 1 . . . . . 49 ASP N . 17254 1 573 . 1 1 50 50 LYS H H 1 8.454 0.008 . 1 . . . . . 50 LYS HN . 17254 1 574 . 1 1 50 50 LYS HA H 1 4.191 0.010 . 1 . . . . . 50 LYS HA . 17254 1 575 . 1 1 50 50 LYS HB2 H 1 1.892 0.024 . 1 . . . . . 50 LYS QB . 17254 1 576 . 1 1 50 50 LYS HB3 H 1 1.892 0.024 . 1 . . . . . 50 LYS QB . 17254 1 577 . 1 1 50 50 LYS HG2 H 1 1.704 0.000 . 1 . . . . . 50 LYS QG . 17254 1 578 . 1 1 50 50 LYS HG3 H 1 1.704 0.000 . 1 . . . . . 50 LYS QG . 17254 1 579 . 1 1 50 50 LYS HD2 H 1 1.426 0.010 . 1 . . . . . 50 LYS QD . 17254 1 580 . 1 1 50 50 LYS HD3 H 1 1.426 0.010 . 1 . . . . . 50 LYS QD . 17254 1 581 . 1 1 50 50 LYS C C 13 176.387 0.000 . 1 . . . . . 50 LYS C . 17254 1 582 . 1 1 50 50 LYS CA C 13 56.481 0.094 . 1 . . . . . 50 LYS CA . 17254 1 583 . 1 1 50 50 LYS CB C 13 30.466 0.126 . 1 . . . . . 50 LYS CB . 17254 1 584 . 1 1 50 50 LYS CG C 13 24.361 0.024 . 1 . . . . . 50 LYS CG . 17254 1 585 . 1 1 50 50 LYS CD C 13 29.706 0.041 . 1 . . . . . 50 LYS CD . 17254 1 586 . 1 1 50 50 LYS N N 15 120.286 0.068 . 1 . . . . . 50 LYS N . 17254 1 587 . 1 1 51 51 THR H H 1 8.386 0.018 . 1 . . . . . 51 THR HN . 17254 1 588 . 1 1 51 51 THR HA H 1 4.333 0.009 . 1 . . . . . 51 THR HA . 17254 1 589 . 1 1 51 51 THR HB H 1 4.321 0.006 . 1 . . . . . 51 THR HB . 17254 1 590 . 1 1 51 51 THR HG21 H 1 1.115 0.004 . 1 . . . . . 51 THR QG2 . 17254 1 591 . 1 1 51 51 THR HG22 H 1 1.115 0.004 . 1 . . . . . 51 THR QG2 . 17254 1 592 . 1 1 51 51 THR HG23 H 1 1.115 0.004 . 1 . . . . . 51 THR QG2 . 17254 1 593 . 1 1 51 51 THR C C 13 174.700 0.010 . 1 . . . . . 51 THR C . 17254 1 594 . 1 1 51 51 THR CA C 13 61.667 0.030 . 1 . . . . . 51 THR CA . 17254 1 595 . 1 1 51 51 THR CB C 13 69.950 0.150 . 1 . . . . . 51 THR CB . 17254 1 596 . 1 1 51 51 THR CG2 C 13 21.564 0.101 . 1 . . . . . 51 THR CG2 . 17254 1 597 . 1 1 51 51 THR N N 15 108.627 0.141 . 1 . . . . . 51 THR N . 17254 1 598 . 1 1 52 52 ASP H H 1 7.619 0.011 . 1 . . . . . 52 ASP HN . 17254 1 599 . 1 1 52 52 ASP HA H 1 4.494 0.018 . 1 . . . . . 52 ASP HA . 17254 1 600 . 1 1 52 52 ASP HB2 H 1 3.138 0.009 . 1 . . . . . 52 ASP HB2 . 17254 1 601 . 1 1 52 52 ASP HB3 H 1 2.776 0.020 . 1 . . . . . 52 ASP HB3 . 17254 1 602 . 1 1 52 52 ASP C C 13 176.844 0.023 . 1 . . . . . 52 ASP C . 17254 1 603 . 1 1 52 52 ASP CA C 13 54.645 0.131 . 1 . . . . . 52 ASP CA . 17254 1 604 . 1 1 52 52 ASP CB C 13 41.523 0.114 . 1 . . . . . 52 ASP CB . 17254 1 605 . 1 1 52 52 ASP N N 15 122.291 0.081 . 1 . . . . . 52 ASP N . 17254 1 606 . 1 1 53 53 LYS H H 1 8.771 0.007 . 1 . . . . . 53 LYS HN . 17254 1 607 . 1 1 53 53 LYS HA H 1 4.621 0.008 . 1 . . . . . 53 LYS HA . 17254 1 608 . 1 1 53 53 LYS HB2 H 1 2.172 0.031 . 1 . . . . . 53 LYS QB . 17254 1 609 . 1 1 53 53 LYS HB3 H 1 2.172 0.031 . 1 . . . . . 53 LYS QB . 17254 1 610 . 1 1 53 53 LYS HG2 H 1 1.379 0.007 . 1 . . . . . 53 LYS QG . 17254 1 611 . 1 1 53 53 LYS HG3 H 1 1.379 0.007 . 1 . . . . . 53 LYS QG . 17254 1 612 . 1 1 53 53 LYS HD2 H 1 1.610 0.011 . 1 . . . . . 53 LYS QD . 17254 1 613 . 1 1 53 53 LYS HD3 H 1 1.610 0.011 . 1 . . . . . 53 LYS QD . 17254 1 614 . 1 1 53 53 LYS HE2 H 1 3.079 0.000 . 1 . . . . . 53 LYS QE . 17254 1 615 . 1 1 53 53 LYS HE3 H 1 3.079 0.000 . 1 . . . . . 53 LYS QE . 17254 1 616 . 1 1 53 53 LYS C C 13 176.922 0.000 . 1 . . . . . 53 LYS C . 17254 1 617 . 1 1 53 53 LYS CA C 13 56.139 0.218 . 1 . . . . . 53 LYS CA . 17254 1 618 . 1 1 53 53 LYS CB C 13 32.121 0.125 . 1 . . . . . 53 LYS CB . 17254 1 619 . 1 1 53 53 LYS N N 15 129.103 0.247 . 1 . . . . . 53 LYS N . 17254 1 620 . 1 1 54 54 GLY H H 1 8.734 0.006 . 1 . . . . . 54 GLY HN . 17254 1 621 . 1 1 54 54 GLY HA2 H 1 3.545 0.012 . 2 . . . . . 54 GLY HA2 . 17254 1 622 . 1 1 54 54 GLY HA3 H 1 4.137 0.015 . 1 . . . . . 54 GLY HA3 . 17254 1 623 . 1 1 54 54 GLY C C 13 172.307 0.000 . 1 . . . . . 54 GLY C . 17254 1 624 . 1 1 54 54 GLY CA C 13 45.208 0.082 . 1 . . . . . 54 GLY CA . 17254 1 625 . 1 1 54 54 GLY N N 15 106.524 0.106 . 1 . . . . . 54 GLY N . 17254 1 626 . 1 1 55 55 ILE H H 1 9.016 0.005 . 1 . . . . . 55 ILE HN . 17254 1 627 . 1 1 55 55 ILE HA H 1 4.780 0.014 . 1 . . . . . 55 ILE HA . 17254 1 628 . 1 1 55 55 ILE HB H 1 2.086 0.013 . 1 . . . . . 55 ILE HB . 17254 1 629 . 1 1 55 55 ILE HG12 H 1 1.272 0.018 . 2 . . . . . 55 ILE HG12 . 17254 1 630 . 1 1 55 55 ILE HG13 H 1 1.131 0.029 . 2 . . . . . 55 ILE HG13 . 17254 1 631 . 1 1 55 55 ILE HG21 H 1 0.729 0.006 . 1 . . . . . 55 ILE QG2 . 17254 1 632 . 1 1 55 55 ILE HG22 H 1 0.729 0.006 . 1 . . . . . 55 ILE QG2 . 17254 1 633 . 1 1 55 55 ILE HG23 H 1 0.729 0.006 . 1 . . . . . 55 ILE QG2 . 17254 1 634 . 1 1 55 55 ILE HD11 H 1 0.455 0.014 . 1 . . . . . 55 ILE QD1 . 17254 1 635 . 1 1 55 55 ILE HD12 H 1 0.455 0.014 . 1 . . . . . 55 ILE QD1 . 17254 1 636 . 1 1 55 55 ILE HD13 H 1 0.455 0.014 . 1 . . . . . 55 ILE QD1 . 17254 1 637 . 1 1 55 55 ILE C C 13 174.992 0.000 . 1 . . . . . 55 ILE C . 17254 1 638 . 1 1 55 55 ILE CA C 13 57.592 0.219 . 1 . . . . . 55 ILE CA . 17254 1 639 . 1 1 55 55 ILE CB C 13 35.815 0.262 . 1 . . . . . 55 ILE CB . 17254 1 640 . 1 1 55 55 ILE CG2 C 13 18.546 0.023 . 1 . . . . . 55 ILE CG2 . 17254 1 641 . 1 1 55 55 ILE CD1 C 13 8.457 0.092 . 1 . . . . . 55 ILE CD1 . 17254 1 642 . 1 1 55 55 ILE N N 15 120.479 0.062 . 1 . . . . . 55 ILE N . 17254 1 643 . 1 1 56 56 TYR H H 1 8.788 0.017 . 1 . . . . . 56 TYR HN . 17254 1 644 . 1 1 56 56 TYR HA H 1 5.419 0.009 . 1 . . . . . 56 TYR HA . 17254 1 645 . 1 1 56 56 TYR HB2 H 1 2.473 0.020 . 2 . . . . . 56 TYR QB . 17254 1 646 . 1 1 56 56 TYR HB3 H 1 2.473 0.020 . 2 . . . . . 56 TYR QB . 17254 1 647 . 1 1 56 56 TYR HD1 H 1 6.898 0.006 . 3 . . . . . 56 TYR QD . 17254 1 648 . 1 1 56 56 TYR HD2 H 1 6.898 0.006 . 3 . . . . . 56 TYR QD . 17254 1 649 . 1 1 56 56 TYR HE1 H 1 6.607 0.007 . 3 . . . . . 56 TYR QE . 17254 1 650 . 1 1 56 56 TYR HE2 H 1 6.607 0.007 . 3 . . . . . 56 TYR QE . 17254 1 651 . 1 1 56 56 TYR C C 13 175.689 0.000 . 1 . . . . . 56 TYR C . 17254 1 652 . 1 1 56 56 TYR CA C 13 55.444 0.154 . 1 . . . . . 56 TYR CA . 17254 1 653 . 1 1 56 56 TYR CB C 13 42.810 0.200 . 1 . . . . . 56 TYR CB . 17254 1 654 . 1 1 56 56 TYR CD1 C 13 133.806 0.015 . 3 . . . . . 56 TYR CD1 . 17254 1 655 . 1 1 56 56 TYR CE1 C 13 117.699 0.078 . 3 . . . . . 56 TYR CE1 . 17254 1 656 . 1 1 56 56 TYR N N 15 124.570 0.423 . 1 . . . . . 56 TYR N . 17254 1 657 . 1 1 57 57 VAL H H 1 8.764 0.020 . 1 . . . . . 57 VAL HN . 17254 1 658 . 1 1 57 57 VAL HA H 1 4.362 0.013 . 1 . . . . . 57 VAL HA . 17254 1 659 . 1 1 57 57 VAL HB H 1 2.134 0.009 . 1 . . . . . 57 VAL HB . 17254 1 660 . 1 1 57 57 VAL HG11 H 1 0.728 0.004 . 1 . . . . . 57 VAL QG1 . 17254 1 661 . 1 1 57 57 VAL HG12 H 1 0.728 0.004 . 1 . . . . . 57 VAL QG1 . 17254 1 662 . 1 1 57 57 VAL HG13 H 1 0.728 0.004 . 1 . . . . . 57 VAL QG1 . 17254 1 663 . 1 1 57 57 VAL HG21 H 1 0.750 0.007 . 1 . . . . . 57 VAL QG2 . 17254 1 664 . 1 1 57 57 VAL HG22 H 1 0.750 0.007 . 1 . . . . . 57 VAL QG2 . 17254 1 665 . 1 1 57 57 VAL HG23 H 1 0.750 0.007 . 1 . . . . . 57 VAL QG2 . 17254 1 666 . 1 1 57 57 VAL C C 13 176.841 0.000 . 1 . . . . . 57 VAL C . 17254 1 667 . 1 1 57 57 VAL CA C 13 62.641 0.202 . 1 . . . . . 57 VAL CA . 17254 1 668 . 1 1 57 57 VAL CB C 13 32.109 0.159 . 1 . . . . . 57 VAL CB . 17254 1 669 . 1 1 57 57 VAL CG1 C 13 22.548 0.106 . 2 . . . . . 57 VAL CG1 . 17254 1 670 . 1 1 57 57 VAL CG2 C 13 21.981 0.286 . 2 . . . . . 57 VAL CG2 . 17254 1 671 . 1 1 57 57 VAL N N 15 121.119 0.064 . 1 . . . . . 57 VAL N . 17254 1 672 . 1 1 58 58 THR H H 1 8.654 0.010 . 1 . . . . . 58 THR HN . 17254 1 673 . 1 1 58 58 THR HA H 1 4.399 0.010 . 1 . . . . . 58 THR HA . 17254 1 674 . 1 1 58 58 THR HB H 1 4.478 0.010 . 1 . . . . . 58 THR HB . 17254 1 675 . 1 1 58 58 THR HG21 H 1 1.043 0.003 . 1 . . . . . 58 THR QG2 . 17254 1 676 . 1 1 58 58 THR HG22 H 1 1.043 0.003 . 1 . . . . . 58 THR QG2 . 17254 1 677 . 1 1 58 58 THR HG23 H 1 1.043 0.003 . 1 . . . . . 58 THR QG2 . 17254 1 678 . 1 1 58 58 THR C C 13 175.144 0.000 . 1 . . . . . 58 THR C . 17254 1 679 . 1 1 58 58 THR CA C 13 62.131 0.268 . 1 . . . . . 58 THR CA . 17254 1 680 . 1 1 58 58 THR CB C 13 69.162 0.136 . 1 . . . . . 58 THR CB . 17254 1 681 . 1 1 58 58 THR CG2 C 13 21.221 0.049 . 1 . . . . . 58 THR CG2 . 17254 1 682 . 1 1 58 58 THR N N 15 118.563 0.328 . 1 . . . . . 58 THR N . 17254 1 683 . 1 1 59 59 ARG H H 1 7.166 0.007 . 1 . . . . . 59 ARG HN . 17254 1 684 . 1 1 59 59 ARG HA H 1 4.346 0.010 . 1 . . . . . 59 ARG HA . 17254 1 685 . 1 1 59 59 ARG HB2 H 1 1.714 0.006 . 1 . . . . . 59 ARG HB2 . 17254 1 686 . 1 1 59 59 ARG HB3 H 1 1.646 0.012 . 1 . . . . . 59 ARG HB3 . 17254 1 687 . 1 1 59 59 ARG HG2 H 1 1.578 0.019 . 1 . . . . . 59 ARG HG2 . 17254 1 688 . 1 1 59 59 ARG HG3 H 1 1.497 0.014 . 1 . . . . . 59 ARG HG3 . 17254 1 689 . 1 1 59 59 ARG HD2 H 1 3.105 0.011 . 1 . . . . . 59 ARG QD . 17254 1 690 . 1 1 59 59 ARG HD3 H 1 3.105 0.011 . 1 . . . . . 59 ARG QD . 17254 1 691 . 1 1 59 59 ARG C C 13 175.017 0.733 . 1 . . . . . 59 ARG C . 17254 1 692 . 1 1 59 59 ARG CA C 13 56.260 0.100 . 1 . . . . . 59 ARG CA . 17254 1 693 . 1 1 59 59 ARG CB C 13 34.149 0.071 . 1 . . . . . 59 ARG CB . 17254 1 694 . 1 1 59 59 ARG CG C 13 27.197 0.098 . 1 . . . . . 59 ARG CG . 17254 1 695 . 1 1 59 59 ARG CD C 13 43.252 0.063 . 1 . . . . . 59 ARG CD . 17254 1 696 . 1 1 59 59 ARG N N 15 119.725 0.138 . 1 . . . . . 59 ARG N . 17254 1 697 . 1 1 60 60 VAL H H 1 8.469 0.010 . 1 . . . . . 60 VAL HN . 17254 1 698 . 1 1 60 60 VAL HA H 1 4.316 0.012 . 1 . . . . . 60 VAL HA . 17254 1 699 . 1 1 60 60 VAL HB H 1 1.831 0.011 . 1 . . . . . 60 VAL HB . 17254 1 700 . 1 1 60 60 VAL HG11 H 1 0.775 0.011 . 1 . . . . . 60 VAL QG1 . 17254 1 701 . 1 1 60 60 VAL HG12 H 1 0.775 0.011 . 1 . . . . . 60 VAL QG1 . 17254 1 702 . 1 1 60 60 VAL HG13 H 1 0.775 0.011 . 1 . . . . . 60 VAL QG1 . 17254 1 703 . 1 1 60 60 VAL HG21 H 1 0.534 0.010 . 1 . . . . . 60 VAL QG2 . 17254 1 704 . 1 1 60 60 VAL HG22 H 1 0.534 0.010 . 1 . . . . . 60 VAL QG2 . 17254 1 705 . 1 1 60 60 VAL HG23 H 1 0.534 0.010 . 1 . . . . . 60 VAL QG2 . 17254 1 706 . 1 1 60 60 VAL C C 13 175.300 0.000 . 1 . . . . . 60 VAL C . 17254 1 707 . 1 1 60 60 VAL CA C 13 62.063 0.217 . 1 . . . . . 60 VAL CA . 17254 1 708 . 1 1 60 60 VAL CB C 13 34.950 0.258 . 1 . . . . . 60 VAL CB . 17254 1 709 . 1 1 60 60 VAL CG1 C 13 21.696 0.074 . 2 . . . . . 60 VAL CG1 . 17254 1 710 . 1 1 60 60 VAL CG2 C 13 22.037 0.094 . 2 . . . . . 60 VAL CG2 . 17254 1 711 . 1 1 60 60 VAL N N 15 122.993 0.084 . 1 . . . . . 60 VAL N . 17254 1 712 . 1 1 61 61 SER H H 1 8.112 0.006 . 1 . . . . . 61 SER HN . 17254 1 713 . 1 1 61 61 SER HA H 1 4.278 0.009 . 1 . . . . . 61 SER HA . 17254 1 714 . 1 1 61 61 SER HB2 H 1 3.875 0.010 . 2 . . . . . 61 SER HB2 . 17254 1 715 . 1 1 61 61 SER HB3 H 1 3.653 0.005 . 2 . . . . . 61 SER HB3 . 17254 1 716 . 1 1 61 61 SER C C 13 175.357 0.000 . 1 . . . . . 61 SER C . 17254 1 717 . 1 1 61 61 SER CA C 13 59.246 0.217 . 1 . . . . . 61 SER CA . 17254 1 718 . 1 1 61 61 SER CB C 13 62.928 0.100 . 1 . . . . . 61 SER CB . 17254 1 719 . 1 1 61 61 SER N N 15 122.681 0.071 . 1 . . . . . 61 SER N . 17254 1 720 . 1 1 62 62 GLU H H 1 9.447 0.010 . 1 . . . . . 62 GLU HN . 17254 1 721 . 1 1 62 62 GLU HA H 1 4.163 0.028 . 1 . . . . . 62 GLU HA . 17254 1 722 . 1 1 62 62 GLU HB2 H 1 1.982 0.005 . 1 . . . . . 62 GLU HB2 . 17254 1 723 . 1 1 62 62 GLU HB3 H 1 2.015 0.015 . 1 . . . . . 62 GLU HB3 . 17254 1 724 . 1 1 62 62 GLU HG2 H 1 2.359 0.030 . 1 . . . . . 62 GLU HG2 . 17254 1 725 . 1 1 62 62 GLU HG3 H 1 2.292 0.029 . 1 . . . . . 62 GLU HG3 . 17254 1 726 . 1 1 62 62 GLU C C 13 178.129 0.000 . 1 . . . . . 62 GLU C . 17254 1 727 . 1 1 62 62 GLU CA C 13 58.275 0.096 . 1 . . . . . 62 GLU CA . 17254 1 728 . 1 1 62 62 GLU CB C 13 29.090 0.146 . 1 . . . . . 62 GLU CB . 17254 1 729 . 1 1 62 62 GLU CG C 13 36.193 0.165 . 1 . . . . . 62 GLU CG . 17254 1 730 . 1 1 62 62 GLU N N 15 131.457 0.210 . 1 . . . . . 62 GLU N . 17254 1 731 . 1 1 63 63 GLY H H 1 9.619 0.006 . 1 . . . . . 63 GLY HN . 17254 1 732 . 1 1 63 63 GLY HA2 H 1 4.044 0.032 . 2 . . . . . 63 GLY HA2 . 17254 1 733 . 1 1 63 63 GLY HA3 H 1 3.679 0.010 . 1 . . . . . 63 GLY HA3 . 17254 1 734 . 1 1 63 63 GLY C C 13 174.146 0.000 . 1 . . . . . 63 GLY C . 17254 1 735 . 1 1 63 63 GLY CA C 13 45.470 0.174 . 1 . . . . . 63 GLY CA . 17254 1 736 . 1 1 63 63 GLY N N 15 116.309 0.067 . 1 . . . . . 63 GLY N . 17254 1 737 . 1 1 64 64 GLY H H 1 7.585 0.012 . 1 . . . . . 64 GLY HN . 17254 1 738 . 1 1 64 64 GLY HA2 H 1 4.396 0.012 . 2 . . . . . 64 GLY HA2 . 17254 1 739 . 1 1 64 64 GLY HA3 H 1 3.885 0.013 . 1 . . . . . 64 GLY HA3 . 17254 1 740 . 1 1 64 64 GLY C C 13 172.075 0.000 . 1 . . . . . 64 GLY C . 17254 1 741 . 1 1 64 64 GLY CA C 13 45.323 0.091 . 1 . . . . . 64 GLY CA . 17254 1 742 . 1 1 64 64 GLY N N 15 105.751 0.197 . 1 . . . . . 64 GLY N . 17254 1 743 . 1 1 65 65 PRO HA H 1 4.233 0.022 . 1 . . . . . 65 PRO HA . 17254 1 744 . 1 1 65 65 PRO HB2 H 1 2.550 0.007 . 2 . . . . . 65 PRO HB2 . 17254 1 745 . 1 1 65 65 PRO HB3 H 1 2.018 0.015 . 2 . . . . . 65 PRO HB3 . 17254 1 746 . 1 1 65 65 PRO HG2 H 1 1.995 0.018 . 2 . . . . . 65 PRO HG2 . 17254 1 747 . 1 1 65 65 PRO HG3 H 1 2.073 0.005 . 2 . . . . . 65 PRO HG3 . 17254 1 748 . 1 1 65 65 PRO HD2 H 1 3.664 0.010 . 2 . . . . . 65 PRO HD2 . 17254 1 749 . 1 1 65 65 PRO HD3 H 1 3.350 0.011 . 2 . . . . . 65 PRO HD3 . 17254 1 750 . 1 1 65 65 PRO C C 13 178.941 0.000 . 1 . . . . . 65 PRO C . 17254 1 751 . 1 1 65 65 PRO CA C 13 64.883 0.057 . 1 . . . . . 65 PRO CA . 17254 1 752 . 1 1 65 65 PRO CB C 13 32.565 0.203 . 1 . . . . . 65 PRO CB . 17254 1 753 . 1 1 65 65 PRO CG C 13 27.896 0.069 . 1 . . . . . 65 PRO CG . 17254 1 754 . 1 1 65 65 PRO CD C 13 49.084 0.035 . 1 . . . . . 65 PRO CD . 17254 1 755 . 1 1 66 66 ALA H H 1 7.330 0.004 . 1 . . . . . 66 ALA HN . 17254 1 756 . 1 1 66 66 ALA HA H 1 4.088 0.019 . 1 . . . . . 66 ALA HA . 17254 1 757 . 1 1 66 66 ALA HB1 H 1 1.510 0.009 . 1 . . . . . 66 ALA QB . 17254 1 758 . 1 1 66 66 ALA HB2 H 1 1.510 0.009 . 1 . . . . . 66 ALA QB . 17254 1 759 . 1 1 66 66 ALA HB3 H 1 1.510 0.009 . 1 . . . . . 66 ALA QB . 17254 1 760 . 1 1 66 66 ALA C C 13 177.609 0.000 . 1 . . . . . 66 ALA C . 17254 1 761 . 1 1 66 66 ALA CA C 13 54.231 0.077 . 1 . . . . . 66 ALA CA . 17254 1 762 . 1 1 66 66 ALA CB C 13 19.389 0.039 . 1 . . . . . 66 ALA CB . 17254 1 763 . 1 1 66 66 ALA N N 15 119.976 0.060 . 1 . . . . . 66 ALA N . 17254 1 764 . 1 1 67 67 GLU H H 1 8.221 0.012 . 1 . . . . . 67 GLU HN . 17254 1 765 . 1 1 67 67 GLU HA H 1 3.874 0.011 . 1 . . . . . 67 GLU HA . 17254 1 766 . 1 1 67 67 GLU HB2 H 1 2.123 0.003 . 1 . . . . . 67 GLU HB2 . 17254 1 767 . 1 1 67 67 GLU HB3 H 1 2.063 0.014 . 1 . . . . . 67 GLU HB3 . 17254 1 768 . 1 1 67 67 GLU HG2 H 1 2.195 0.030 . 1 . . . . . 67 GLU HG2 . 17254 1 769 . 1 1 67 67 GLU HG3 H 1 2.038 0.018 . 1 . . . . . 67 GLU HG3 . 17254 1 770 . 1 1 67 67 GLU C C 13 181.181 0.000 . 1 . . . . . 67 GLU C . 17254 1 771 . 1 1 67 67 GLU CA C 13 59.638 0.108 . 1 . . . . . 67 GLU CA . 17254 1 772 . 1 1 67 67 GLU CB C 13 30.025 0.123 . 1 . . . . . 67 GLU CB . 17254 1 773 . 1 1 67 67 GLU CG C 13 37.148 0.374 . 1 . . . . . 67 GLU CG . 17254 1 774 . 1 1 67 67 GLU N N 15 121.916 0.063 . 1 . . . . . 67 GLU N . 17254 1 775 . 1 1 68 68 ILE H H 1 8.032 0.011 . 1 . . . . . 68 ILE HN . 17254 1 776 . 1 1 68 68 ILE HA H 1 3.739 0.012 . 1 . . . . . 68 ILE HA . 17254 1 777 . 1 1 68 68 ILE HB H 1 1.796 0.009 . 1 . . . . . 68 ILE HB . 17254 1 778 . 1 1 68 68 ILE HG12 H 1 1.526 0.006 . 2 . . . . . 68 ILE HG12 . 17254 1 779 . 1 1 68 68 ILE HG13 H 1 1.169 0.007 . 2 . . . . . 68 ILE HG13 . 17254 1 780 . 1 1 68 68 ILE HG21 H 1 0.897 0.009 . 1 . . . . . 68 ILE QG2 . 17254 1 781 . 1 1 68 68 ILE HG22 H 1 0.897 0.009 . 1 . . . . . 68 ILE QG2 . 17254 1 782 . 1 1 68 68 ILE HG23 H 1 0.897 0.009 . 1 . . . . . 68 ILE QG2 . 17254 1 783 . 1 1 68 68 ILE HD11 H 1 0.761 0.007 . 1 . . . . . 68 ILE QD1 . 17254 1 784 . 1 1 68 68 ILE HD12 H 1 0.761 0.007 . 1 . . . . . 68 ILE QD1 . 17254 1 785 . 1 1 68 68 ILE HD13 H 1 0.761 0.007 . 1 . . . . . 68 ILE QD1 . 17254 1 786 . 1 1 68 68 ILE C C 13 177.365 0.000 . 1 . . . . . 68 ILE C . 17254 1 787 . 1 1 68 68 ILE CA C 13 64.314 0.184 . 1 . . . . . 68 ILE CA . 17254 1 788 . 1 1 68 68 ILE CB C 13 38.095 0.122 . 1 . . . . . 68 ILE CB . 17254 1 789 . 1 1 68 68 ILE CG1 C 13 28.864 0.054 . 1 . . . . . 68 ILE CG1 . 17254 1 790 . 1 1 68 68 ILE CG2 C 13 16.975 0.034 . 1 . . . . . 68 ILE CG2 . 17254 1 791 . 1 1 68 68 ILE CD1 C 13 13.227 0.137 . 1 . . . . . 68 ILE CD1 . 17254 1 792 . 1 1 68 68 ILE N N 15 119.497 0.363 . 1 . . . . . 68 ILE N . 17254 1 793 . 1 1 69 69 ALA H H 1 7.125 0.007 . 1 . . . . . 69 ALA HN . 17254 1 794 . 1 1 69 69 ALA HA H 1 4.309 0.006 . 1 . . . . . 69 ALA HA . 17254 1 795 . 1 1 69 69 ALA HB1 H 1 1.464 0.010 . 1 . . . . . 69 ALA QB . 17254 1 796 . 1 1 69 69 ALA HB2 H 1 1.464 0.010 . 1 . . . . . 69 ALA QB . 17254 1 797 . 1 1 69 69 ALA HB3 H 1 1.464 0.010 . 1 . . . . . 69 ALA QB . 17254 1 798 . 1 1 69 69 ALA C C 13 177.401 0.000 . 1 . . . . . 69 ALA C . 17254 1 799 . 1 1 69 69 ALA CA C 13 52.807 0.101 . 1 . . . . . 69 ALA CA . 17254 1 800 . 1 1 69 69 ALA CB C 13 21.222 0.062 . 1 . . . . . 69 ALA CB . 17254 1 801 . 1 1 69 69 ALA N N 15 119.680 0.072 . 1 . . . . . 69 ALA N . 17254 1 802 . 1 1 70 70 GLY H H 1 7.570 0.019 . 1 . . . . . 70 GLY HN . 17254 1 803 . 1 1 70 70 GLY HA2 H 1 4.260 0.010 . 2 . . . . . 70 GLY HA2 . 17254 1 804 . 1 1 70 70 GLY HA3 H 1 3.679 0.017 . 1 . . . . . 70 GLY HA3 . 17254 1 805 . 1 1 70 70 GLY C C 13 174.456 0.000 . 1 . . . . . 70 GLY C . 17254 1 806 . 1 1 70 70 GLY CA C 13 44.907 0.151 . 1 . . . . . 70 GLY CA . 17254 1 807 . 1 1 70 70 GLY N N 15 103.907 0.132 . 1 . . . . . 70 GLY N . 17254 1 808 . 1 1 71 71 LEU H H 1 7.747 0.008 . 1 . . . . . 71 LEU HN . 17254 1 809 . 1 1 71 71 LEU HA H 1 3.769 0.010 . 1 . . . . . 71 LEU HA . 17254 1 810 . 1 1 71 71 LEU HB2 H 1 1.282 0.013 . 2 . . . . . 71 LEU QB . 17254 1 811 . 1 1 71 71 LEU HB3 H 1 1.282 0.013 . 2 . . . . . 71 LEU QB . 17254 1 812 . 1 1 71 71 LEU HG H 1 0.673 0.091 . 1 . . . . . 71 LEU HG . 17254 1 813 . 1 1 71 71 LEU HD11 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 814 . 1 1 71 71 LEU HD12 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 815 . 1 1 71 71 LEU HD13 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 816 . 1 1 71 71 LEU HD21 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 817 . 1 1 71 71 LEU HD22 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 818 . 1 1 71 71 LEU HD23 H 1 -0.289 0.006 . 1 . . . . . 71 LEU QQD . 17254 1 819 . 1 1 71 71 LEU C C 13 174.486 0.025 . 1 . . . . . 71 LEU C . 17254 1 820 . 1 1 71 71 LEU CA C 13 55.195 0.144 . 1 . . . . . 71 LEU CA . 17254 1 821 . 1 1 71 71 LEU CB C 13 41.364 0.000 . 1 . . . . . 71 LEU CB . 17254 1 822 . 1 1 71 71 LEU CG C 13 27.019 0.000 . 1 . . . . . 71 LEU CG . 17254 1 823 . 1 1 71 71 LEU N N 15 123.521 0.099 . 1 . . . . . 71 LEU N . 17254 1 824 . 1 1 72 72 GLN H H 1 8.436 0.007 . 1 . . . . . 72 GLN HN . 17254 1 825 . 1 1 72 72 GLN HA H 1 4.565 0.014 . 1 . . . . . 72 GLN HA . 17254 1 826 . 1 1 72 72 GLN HB2 H 1 1.857 0.028 . 2 . . . . . 72 GLN QB . 17254 1 827 . 1 1 72 72 GLN HB3 H 1 1.857 0.028 . 2 . . . . . 72 GLN QB . 17254 1 828 . 1 1 72 72 GLN HG2 H 1 2.177 0.008 . 2 . . . . . 72 GLN QG . 17254 1 829 . 1 1 72 72 GLN HG3 H 1 2.177 0.008 . 2 . . . . . 72 GLN QG . 17254 1 830 . 1 1 72 72 GLN HE21 H 1 7.280 0.017 . 2 . . . . . 72 GLN HE21 . 17254 1 831 . 1 1 72 72 GLN HE22 H 1 6.687 0.007 . 2 . . . . . 72 GLN HE22 . 17254 1 832 . 1 1 72 72 GLN C C 13 175.230 0.013 . 1 . . . . . 72 GLN C . 17254 1 833 . 1 1 72 72 GLN CA C 13 54.012 0.234 . 1 . . . . . 72 GLN CA . 17254 1 834 . 1 1 72 72 GLN CB C 13 31.964 0.041 . 1 . . . . . 72 GLN CB . 17254 1 835 . 1 1 72 72 GLN CG C 13 33.562 0.248 . 1 . . . . . 72 GLN CG . 17254 1 836 . 1 1 72 72 GLN CD C 13 180.248 0.006 . 1 . . . . . 72 GLN CD . 17254 1 837 . 1 1 72 72 GLN N N 15 123.821 0.157 . 1 . . . . . 72 GLN N . 17254 1 838 . 1 1 72 72 GLN NE2 N 15 110.860 0.107 . 1 . . . . . 72 GLN NE2 . 17254 1 839 . 1 1 73 73 ILE H H 1 8.402 0.009 . 1 . . . . . 73 ILE HN . 17254 1 840 . 1 1 73 73 ILE HA H 1 3.242 0.008 . 1 . . . . . 73 ILE HA . 17254 1 841 . 1 1 73 73 ILE HB H 1 1.562 0.011 . 1 . . . . . 73 ILE HB . 17254 1 842 . 1 1 73 73 ILE HG12 H 1 0.841 0.009 . 2 . . . . . 73 ILE HG12 . 17254 1 843 . 1 1 73 73 ILE HG13 H 1 1.404 0.008 . 2 . . . . . 73 ILE HG13 . 17254 1 844 . 1 1 73 73 ILE HG21 H 1 0.792 0.007 . 1 . . . . . 73 ILE QG2 . 17254 1 845 . 1 1 73 73 ILE HG22 H 1 0.792 0.007 . 1 . . . . . 73 ILE QG2 . 17254 1 846 . 1 1 73 73 ILE HG23 H 1 0.792 0.007 . 1 . . . . . 73 ILE QG2 . 17254 1 847 . 1 1 73 73 ILE HD11 H 1 0.960 0.009 . 1 . . . . . 73 ILE QD1 . 17254 1 848 . 1 1 73 73 ILE HD12 H 1 0.960 0.009 . 1 . . . . . 73 ILE QD1 . 17254 1 849 . 1 1 73 73 ILE HD13 H 1 0.960 0.009 . 1 . . . . . 73 ILE QD1 . 17254 1 850 . 1 1 73 73 ILE C C 13 177.196 0.000 . 1 . . . . . 73 ILE C . 17254 1 851 . 1 1 73 73 ILE CA C 13 63.538 0.114 . 1 . . . . . 73 ILE CA . 17254 1 852 . 1 1 73 73 ILE CB C 13 38.014 0.143 . 1 . . . . . 73 ILE CB . 17254 1 853 . 1 1 73 73 ILE CG1 C 13 28.351 0.072 . 1 . . . . . 73 ILE CG1 . 17254 1 854 . 1 1 73 73 ILE CG2 C 13 17.977 0.118 . 1 . . . . . 73 ILE CG2 . 17254 1 855 . 1 1 73 73 ILE CD1 C 13 13.988 0.064 . 1 . . . . . 73 ILE CD1 . 17254 1 856 . 1 1 73 73 ILE N N 15 119.852 0.088 . 1 . . . . . 73 ILE N . 17254 1 857 . 1 1 74 74 GLY H H 1 8.920 0.005 . 1 . . . . . 74 GLY HN . 17254 1 858 . 1 1 74 74 GLY HA2 H 1 3.846 0.011 . 2 . . . . . 74 GLY HA2 . 17254 1 859 . 1 1 74 74 GLY HA3 H 1 2.565 0.009 . 1 . . . . . 74 GLY HA3 . 17254 1 860 . 1 1 74 74 GLY C C 13 173.551 0.009 . 1 . . . . . 74 GLY C . 17254 1 861 . 1 1 74 74 GLY CA C 13 44.655 0.116 . 1 . . . . . 74 GLY CA . 17254 1 862 . 1 1 74 74 GLY N N 15 116.672 0.190 . 1 . . . . . 74 GLY N . 17254 1 863 . 1 1 75 75 ASP H H 1 7.615 0.006 . 1 . . . . . 75 ASP HN . 17254 1 864 . 1 1 75 75 ASP HA H 1 4.445 0.019 . 1 . . . . . 75 ASP HA . 17254 1 865 . 1 1 75 75 ASP HB2 H 1 2.439 0.005 . 1 . . . . . 75 ASP QB . 17254 1 866 . 1 1 75 75 ASP HB3 H 1 2.439 0.005 . 1 . . . . . 75 ASP QB . 17254 1 867 . 1 1 75 75 ASP C C 13 174.754 0.005 . 1 . . . . . 75 ASP C . 17254 1 868 . 1 1 75 75 ASP CA C 13 55.718 0.045 . 1 . . . . . 75 ASP CA . 17254 1 869 . 1 1 75 75 ASP CB C 13 40.626 0.144 . 1 . . . . . 75 ASP CB . 17254 1 870 . 1 1 75 75 ASP N N 15 122.336 0.062 . 1 . . . . . 75 ASP N . 17254 1 871 . 1 1 76 76 LYS H H 1 8.444 0.008 . 1 . . . . . 76 LYS HN . 17254 1 872 . 1 1 76 76 LYS HA H 1 4.348 0.015 . 1 . . . . . 76 LYS HA . 17254 1 873 . 1 1 76 76 LYS HB2 H 1 2.153 0.022 . 1 . . . . . 76 LYS QB . 17254 1 874 . 1 1 76 76 LYS HB3 H 1 2.153 0.022 . 1 . . . . . 76 LYS QB . 17254 1 875 . 1 1 76 76 LYS HG2 H 1 1.937 0.000 . 1 . . . . . 76 LYS QG . 17254 1 876 . 1 1 76 76 LYS HG3 H 1 1.937 0.000 . 1 . . . . . 76 LYS QG . 17254 1 877 . 1 1 76 76 LYS HD2 H 1 1.740 0.012 . 1 . . . . . 76 LYS QD . 17254 1 878 . 1 1 76 76 LYS HD3 H 1 1.740 0.012 . 1 . . . . . 76 LYS QD . 17254 1 879 . 1 1 76 76 LYS C C 13 176.773 0.000 . 1 . . . . . 76 LYS C . 17254 1 880 . 1 1 76 76 LYS CA C 13 54.659 0.210 . 1 . . . . . 76 LYS CA . 17254 1 881 . 1 1 76 76 LYS CB C 13 33.946 0.085 . 1 . . . . . 76 LYS CB . 17254 1 882 . 1 1 76 76 LYS N N 15 123.369 0.153 . 1 . . . . . 76 LYS N . 17254 1 883 . 1 1 77 77 ILE H H 1 8.695 0.008 . 1 . . . . . 77 ILE HN . 17254 1 884 . 1 1 77 77 ILE HA H 1 3.853 0.011 . 1 . . . . . 77 ILE HA . 17254 1 885 . 1 1 77 77 ILE HB H 1 1.510 0.014 . 1 . . . . . 77 ILE HB . 17254 1 886 . 1 1 77 77 ILE HG12 H 1 1.153 0.018 . 1 . . . . . 77 ILE QG1 . 17254 1 887 . 1 1 77 77 ILE HG13 H 1 1.153 0.018 . 1 . . . . . 77 ILE QG1 . 17254 1 888 . 1 1 77 77 ILE HG21 H 1 0.678 0.010 . 1 . . . . . 77 ILE QG2 . 17254 1 889 . 1 1 77 77 ILE HG22 H 1 0.678 0.010 . 1 . . . . . 77 ILE QG2 . 17254 1 890 . 1 1 77 77 ILE HG23 H 1 0.678 0.010 . 1 . . . . . 77 ILE QG2 . 17254 1 891 . 1 1 77 77 ILE HD11 H 1 0.697 0.027 . 1 . . . . . 77 ILE QD1 . 17254 1 892 . 1 1 77 77 ILE HD12 H 1 0.697 0.027 . 1 . . . . . 77 ILE QD1 . 17254 1 893 . 1 1 77 77 ILE HD13 H 1 0.697 0.027 . 1 . . . . . 77 ILE QD1 . 17254 1 894 . 1 1 77 77 ILE C C 13 174.243 0.000 . 1 . . . . . 77 ILE C . 17254 1 895 . 1 1 77 77 ILE CA C 13 62.219 0.238 . 1 . . . . . 77 ILE CA . 17254 1 896 . 1 1 77 77 ILE CB C 13 37.871 0.107 . 1 . . . . . 77 ILE CB . 17254 1 897 . 1 1 77 77 ILE CG2 C 13 19.332 0.066 . 1 . . . . . 77 ILE CG2 . 17254 1 898 . 1 1 77 77 ILE CD1 C 13 13.642 0.275 . 1 . . . . . 77 ILE CD1 . 17254 1 899 . 1 1 77 77 ILE N N 15 125.789 0.066 . 1 . . . . . 77 ILE N . 17254 1 900 . 1 1 78 78 MET H H 1 9.101 0.018 . 1 . . . . . 78 MET HN . 17254 1 901 . 1 1 78 78 MET HA H 1 4.449 0.007 . 1 . . . . . 78 MET HA . 17254 1 902 . 1 1 78 78 MET HB2 H 1 2.119 0.010 . 2 . . . . . 78 MET HB2 . 17254 1 903 . 1 1 78 78 MET HB3 H 1 1.648 0.008 . 2 . . . . . 78 MET HB3 . 17254 1 904 . 1 1 78 78 MET HG2 H 1 2.357 0.011 . 2 . . . . . 78 MET QG . 17254 1 905 . 1 1 78 78 MET HG3 H 1 2.357 0.011 . 2 . . . . . 78 MET QG . 17254 1 906 . 1 1 78 78 MET HE1 H 1 1.908 0.008 . 1 . . . . . 78 MET QE . 17254 1 907 . 1 1 78 78 MET HE2 H 1 1.908 0.008 . 1 . . . . . 78 MET QE . 17254 1 908 . 1 1 78 78 MET HE3 H 1 1.908 0.008 . 1 . . . . . 78 MET QE . 17254 1 909 . 1 1 78 78 MET C C 13 177.971 0.000 . 1 . . . . . 78 MET C . 17254 1 910 . 1 1 78 78 MET CA C 13 55.524 0.048 . 1 . . . . . 78 MET CA . 17254 1 911 . 1 1 78 78 MET CB C 13 32.469 0.229 . 1 . . . . . 78 MET CB . 17254 1 912 . 1 1 78 78 MET CG C 13 31.375 0.030 . 1 . . . . . 78 MET CG . 17254 1 913 . 1 1 78 78 MET CE C 13 16.220 0.014 . 1 . . . . . 78 MET CE . 17254 1 914 . 1 1 78 78 MET N N 15 125.280 0.066 . 1 . . . . . 78 MET N . 17254 1 915 . 1 1 79 79 GLN H H 1 7.628 0.005 . 1 . . . . . 79 GLN HN . 17254 1 916 . 1 1 79 79 GLN HA H 1 5.237 0.009 . 1 . . . . . 79 GLN HA . 17254 1 917 . 1 1 79 79 GLN HB2 H 1 1.762 0.016 . 2 . . . . . 79 GLN HB2 . 17254 1 918 . 1 1 79 79 GLN HB3 H 1 1.828 0.017 . 2 . . . . . 79 GLN HB3 . 17254 1 919 . 1 1 79 79 GLN HG2 H 1 2.080 0.013 . 2 . . . . . 79 GLN HG2 . 17254 1 920 . 1 1 79 79 GLN HG3 H 1 2.008 0.013 . 2 . . . . . 79 GLN HG3 . 17254 1 921 . 1 1 79 79 GLN HE21 H 1 7.612 0.008 . 2 . . . . . 79 GLN HE21 . 17254 1 922 . 1 1 79 79 GLN HE22 H 1 6.701 0.004 . 2 . . . . . 79 GLN HE22 . 17254 1 923 . 1 1 79 79 GLN C C 13 176.886 0.000 . 1 . . . . . 79 GLN C . 17254 1 924 . 1 1 79 79 GLN CA C 13 54.880 0.068 . 1 . . . . . 79 GLN CA . 17254 1 925 . 1 1 79 79 GLN CB C 13 35.022 0.087 . 1 . . . . . 79 GLN CB . 17254 1 926 . 1 1 79 79 GLN CG C 13 34.353 0.167 . 1 . . . . . 79 GLN CG . 17254 1 927 . 1 1 79 79 GLN CD C 13 179.161 0.011 . 1 . . . . . 79 GLN CD . 17254 1 928 . 1 1 79 79 GLN N N 15 116.831 0.146 . 1 . . . . . 79 GLN N . 17254 1 929 . 1 1 79 79 GLN NE2 N 15 111.553 0.086 . 1 . . . . . 79 GLN NE2 . 17254 1 930 . 1 1 80 80 VAL H H 1 8.487 0.011 . 1 . . . . . 80 VAL HN . 17254 1 931 . 1 1 80 80 VAL HA H 1 4.606 0.019 . 1 . . . . . 80 VAL HA . 17254 1 932 . 1 1 80 80 VAL HB H 1 1.978 0.022 . 1 . . . . . 80 VAL HB . 17254 1 933 . 1 1 80 80 VAL HG11 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 934 . 1 1 80 80 VAL HG12 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 935 . 1 1 80 80 VAL HG13 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 936 . 1 1 80 80 VAL HG21 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 937 . 1 1 80 80 VAL HG22 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 938 . 1 1 80 80 VAL HG23 H 1 0.866 0.009 . 1 . . . . . 80 VAL QQG . 17254 1 939 . 1 1 80 80 VAL C C 13 174.671 0.000 . 1 . . . . . 80 VAL C . 17254 1 940 . 1 1 80 80 VAL CA C 13 60.612 0.325 . 1 . . . . . 80 VAL CA . 17254 1 941 . 1 1 80 80 VAL CB C 13 34.705 0.317 . 1 . . . . . 80 VAL CB . 17254 1 942 . 1 1 80 80 VAL CG2 C 13 22.254 0.105 . 2 . . . . . 80 VAL CG2 . 17254 1 943 . 1 1 80 80 VAL N N 15 120.584 0.162 . 1 . . . . . 80 VAL N . 17254 1 944 . 1 1 81 81 ASN H H 1 9.703 0.004 . 1 . . . . . 81 ASN HN . 17254 1 945 . 1 1 81 81 ASN HA H 1 4.485 0.010 . 1 . . . . . 81 ASN HA . 17254 1 946 . 1 1 81 81 ASN HB2 H 1 3.265 0.018 . 2 . . . . . 81 ASN HB2 . 17254 1 947 . 1 1 81 81 ASN HB3 H 1 3.059 0.019 . 2 . . . . . 81 ASN HB3 . 17254 1 948 . 1 1 81 81 ASN HD21 H 1 7.448 0.008 . 2 . . . . . 81 ASN HD21 . 17254 1 949 . 1 1 81 81 ASN HD22 H 1 6.813 0.010 . 2 . . . . . 81 ASN HD22 . 17254 1 950 . 1 1 81 81 ASN C C 13 174.647 0.000 . 1 . . . . . 81 ASN C . 17254 1 951 . 1 1 81 81 ASN CA C 13 54.365 0.120 . 1 . . . . . 81 ASN CA . 17254 1 952 . 1 1 81 81 ASN CB C 13 36.770 0.091 . 1 . . . . . 81 ASN CB . 17254 1 953 . 1 1 81 81 ASN CG C 13 177.786 0.019 . 1 . . . . . 81 ASN CG . 17254 1 954 . 1 1 81 81 ASN N N 15 127.611 0.080 . 1 . . . . . 81 ASN N . 17254 1 955 . 1 1 81 81 ASN ND2 N 15 111.245 0.068 . 1 . . . . . 81 ASN ND2 . 17254 1 956 . 1 1 82 82 GLY H H 1 8.443 0.013 . 1 . . . . . 82 GLY HN . 17254 1 957 . 1 1 82 82 GLY HA2 H 1 3.988 0.015 . 2 . . . . . 82 GLY HA2 . 17254 1 958 . 1 1 82 82 GLY HA3 H 1 3.411 0.009 . 1 . . . . . 82 GLY HA3 . 17254 1 959 . 1 1 82 82 GLY C C 13 173.416 0.000 . 1 . . . . . 82 GLY C . 17254 1 960 . 1 1 82 82 GLY CA C 13 45.189 0.108 . 1 . . . . . 82 GLY CA . 17254 1 961 . 1 1 82 82 GLY N N 15 102.442 0.146 . 1 . . . . . 82 GLY N . 17254 1 962 . 1 1 83 83 TRP H H 1 8.367 0.006 . 1 . . . . . 83 TRP HN . 17254 1 963 . 1 1 83 83 TRP HA H 1 4.566 0.013 . 1 . . . . . 83 TRP HA . 17254 1 964 . 1 1 83 83 TRP HB2 H 1 3.265 0.007 . 2 . . . . . 83 TRP HB2 . 17254 1 965 . 1 1 83 83 TRP HB3 H 1 3.218 0.018 . 2 . . . . . 83 TRP HB3 . 17254 1 966 . 1 1 83 83 TRP HD1 H 1 7.347 0.007 . 1 . . . . . 83 TRP HD1 . 17254 1 967 . 1 1 83 83 TRP HE1 H 1 10.133 0.003 . 1 . . . . . 83 TRP HE1 . 17254 1 968 . 1 1 83 83 TRP HE3 H 1 7.556 0.154 . 1 . . . . . 83 TRP HE3 . 17254 1 969 . 1 1 83 83 TRP HZ2 H 1 7.418 0.009 . 1 . . . . . 83 TRP HZ2 . 17254 1 970 . 1 1 83 83 TRP HZ3 H 1 7.051 0.002 . 1 . . . . . 83 TRP HZ3 . 17254 1 971 . 1 1 83 83 TRP HH2 H 1 7.088 0.008 . 1 . . . . . 83 TRP HH2 . 17254 1 972 . 1 1 83 83 TRP C C 13 175.926 0.000 . 1 . . . . . 83 TRP C . 17254 1 973 . 1 1 83 83 TRP CA C 13 56.726 0.203 . 1 . . . . . 83 TRP CA . 17254 1 974 . 1 1 83 83 TRP CB C 13 29.469 0.067 . 1 . . . . . 83 TRP CB . 17254 1 975 . 1 1 83 83 TRP CD1 C 13 128.059 0.024 . 1 . . . . . 83 TRP CD1 . 17254 1 976 . 1 1 83 83 TRP CE3 C 13 120.917 0.245 . 1 . . . . . 83 TRP CE3 . 17254 1 977 . 1 1 83 83 TRP CZ2 C 13 114.443 0.041 . 1 . . . . . 83 TRP CZ2 . 17254 1 978 . 1 1 83 83 TRP CZ3 C 13 121.082 0.016 . 1 . . . . . 83 TRP CZ3 . 17254 1 979 . 1 1 83 83 TRP CH2 C 13 124.323 0.144 . 1 . . . . . 83 TRP CH2 . 17254 1 980 . 1 1 83 83 TRP N N 15 123.318 0.199 . 1 . . . . . 83 TRP N . 17254 1 981 . 1 1 83 83 TRP NE1 N 15 129.705 0.071 . 1 . . . . . 83 TRP NE1 . 17254 1 982 . 1 1 84 84 ASP H H 1 8.593 0.008 . 1 . . . . . 84 ASP HN . 17254 1 983 . 1 1 84 84 ASP HA H 1 4.445 0.011 . 1 . . . . . 84 ASP HA . 17254 1 984 . 1 1 84 84 ASP HB2 H 1 2.672 0.013 . 1 . . . . . 84 ASP HB2 . 17254 1 985 . 1 1 84 84 ASP HB3 H 1 2.643 0.009 . 1 . . . . . 84 ASP HB3 . 17254 1 986 . 1 1 84 84 ASP C C 13 176.543 0.000 . 1 . . . . . 84 ASP C . 17254 1 987 . 1 1 84 84 ASP CA C 13 55.801 0.182 . 1 . . . . . 84 ASP CA . 17254 1 988 . 1 1 84 84 ASP CB C 13 41.902 0.065 . 1 . . . . . 84 ASP CB . 17254 1 989 . 1 1 84 84 ASP N N 15 125.959 0.146 . 1 . . . . . 84 ASP N . 17254 1 990 . 1 1 85 85 MET H H 1 8.046 0.005 . 1 . . . . . 85 MET HN . 17254 1 991 . 1 1 85 85 MET HA H 1 4.720 0.012 . 1 . . . . . 85 MET HA . 17254 1 992 . 1 1 85 85 MET HB2 H 1 2.115 0.014 . 2 . . . . . 85 MET HB2 . 17254 1 993 . 1 1 85 85 MET HB3 H 1 1.639 0.016 . 2 . . . . . 85 MET HB3 . 17254 1 994 . 1 1 85 85 MET HG2 H 1 2.565 0.014 . 2 . . . . . 85 MET HG2 . 17254 1 995 . 1 1 85 85 MET HG3 H 1 2.317 0.010 . 2 . . . . . 85 MET HG3 . 17254 1 996 . 1 1 85 85 MET HE1 H 1 1.958 0.004 . 1 . . . . . 85 MET QE . 17254 1 997 . 1 1 85 85 MET HE2 H 1 1.958 0.004 . 1 . . . . . 85 MET QE . 17254 1 998 . 1 1 85 85 MET HE3 H 1 1.958 0.004 . 1 . . . . . 85 MET QE . 17254 1 999 . 1 1 85 85 MET C C 13 176.746 0.000 . 1 . . . . . 85 MET C . 17254 1 1000 . 1 1 85 85 MET CA C 13 54.155 0.064 . 1 . . . . . 85 MET CA . 17254 1 1001 . 1 1 85 85 MET CB C 13 33.284 0.055 . 1 . . . . . 85 MET CB . 17254 1 1002 . 1 1 85 85 MET CE C 13 18.930 0.014 . 1 . . . . . 85 MET CE . 17254 1 1003 . 1 1 85 85 MET N N 15 123.667 0.124 . 1 . . . . . 85 MET N . 17254 1 1004 . 1 1 86 86 THR H H 1 8.510 0.006 . 1 . . . . . 86 THR HN . 17254 1 1005 . 1 1 86 86 THR HA H 1 4.195 0.019 . 1 . . . . . 86 THR HA . 17254 1 1006 . 1 1 86 86 THR HB H 1 4.165 0.011 . 1 . . . . . 86 THR HB . 17254 1 1007 . 1 1 86 86 THR HG21 H 1 1.342 0.007 . 1 . . . . . 86 THR QG2 . 17254 1 1008 . 1 1 86 86 THR HG22 H 1 1.342 0.007 . 1 . . . . . 86 THR QG2 . 17254 1 1009 . 1 1 86 86 THR HG23 H 1 1.342 0.007 . 1 . . . . . 86 THR QG2 . 17254 1 1010 . 1 1 86 86 THR C C 13 175.349 0.000 . 1 . . . . . 86 THR C . 17254 1 1011 . 1 1 86 86 THR CA C 13 64.954 0.170 . 1 . . . . . 86 THR CA . 17254 1 1012 . 1 1 86 86 THR CB C 13 69.597 0.073 . 1 . . . . . 86 THR CB . 17254 1 1013 . 1 1 86 86 THR CG2 C 13 22.089 0.046 . 1 . . . . . 86 THR CG2 . 17254 1 1014 . 1 1 86 86 THR N N 15 115.987 0.156 . 1 . . . . . 86 THR N . 17254 1 1015 . 1 1 87 87 MET H H 1 8.539 0.012 . 1 . . . . . 87 MET HN . 17254 1 1016 . 1 1 87 87 MET HA H 1 4.585 0.011 . 1 . . . . . 87 MET HA . 17254 1 1017 . 1 1 87 87 MET HB2 H 1 2.104 0.011 . 2 . . . . . 87 MET HB2 . 17254 1 1018 . 1 1 87 87 MET HB3 H 1 1.849 0.009 . 2 . . . . . 87 MET HB3 . 17254 1 1019 . 1 1 87 87 MET HG2 H 1 2.525 0.010 . 2 . . . . . 87 MET HG2 . 17254 1 1020 . 1 1 87 87 MET HG3 H 1 2.418 0.015 . 2 . . . . . 87 MET HG3 . 17254 1 1021 . 1 1 87 87 MET HE1 H 1 2.126 0.005 . 1 . . . . . 87 MET QE . 17254 1 1022 . 1 1 87 87 MET HE2 H 1 2.126 0.005 . 1 . . . . . 87 MET QE . 17254 1 1023 . 1 1 87 87 MET HE3 H 1 2.126 0.005 . 1 . . . . . 87 MET QE . 17254 1 1024 . 1 1 87 87 MET C C 13 174.638 0.000 . 1 . . . . . 87 MET C . 17254 1 1025 . 1 1 87 87 MET CA C 13 54.364 0.098 . 1 . . . . . 87 MET CA . 17254 1 1026 . 1 1 87 87 MET CB C 13 32.291 0.127 . 1 . . . . . 87 MET CB . 17254 1 1027 . 1 1 87 87 MET CG C 13 32.317 0.091 . 1 . . . . . 87 MET CG . 17254 1 1028 . 1 1 87 87 MET CE C 13 23.105 0.038 . 1 . . . . . 87 MET CE . 17254 1 1029 . 1 1 87 87 MET N N 15 123.127 0.079 . 1 . . . . . 87 MET N . 17254 1 1030 . 1 1 88 88 VAL H H 1 7.965 0.006 . 1 . . . . . 88 VAL HN . 17254 1 1031 . 1 1 88 88 VAL HA H 1 4.873 0.014 . 1 . . . . . 88 VAL HA . 17254 1 1032 . 1 1 88 88 VAL HB H 1 2.366 0.012 . 1 . . . . . 88 VAL HB . 17254 1 1033 . 1 1 88 88 VAL HG11 H 1 0.890 0.010 . 1 . . . . . 88 VAL QG1 . 17254 1 1034 . 1 1 88 88 VAL HG12 H 1 0.890 0.010 . 1 . . . . . 88 VAL QG1 . 17254 1 1035 . 1 1 88 88 VAL HG13 H 1 0.890 0.010 . 1 . . . . . 88 VAL QG1 . 17254 1 1036 . 1 1 88 88 VAL HG21 H 1 0.913 0.008 . 1 . . . . . 88 VAL QG2 . 17254 1 1037 . 1 1 88 88 VAL HG22 H 1 0.913 0.008 . 1 . . . . . 88 VAL QG2 . 17254 1 1038 . 1 1 88 88 VAL HG23 H 1 0.913 0.008 . 1 . . . . . 88 VAL QG2 . 17254 1 1039 . 1 1 88 88 VAL C C 13 176.856 0.000 . 1 . . . . . 88 VAL C . 17254 1 1040 . 1 1 88 88 VAL CA C 13 59.058 0.076 . 1 . . . . . 88 VAL CA . 17254 1 1041 . 1 1 88 88 VAL CB C 13 35.025 0.153 . 1 . . . . . 88 VAL CB . 17254 1 1042 . 1 1 88 88 VAL CG1 C 13 18.861 0.065 . 2 . . . . . 88 VAL CG1 . 17254 1 1043 . 1 1 88 88 VAL CG2 C 13 22.540 0.092 . 2 . . . . . 88 VAL CG2 . 17254 1 1044 . 1 1 88 88 VAL N N 15 113.502 0.142 . 1 . . . . . 88 VAL N . 17254 1 1045 . 1 1 89 89 THR H H 1 8.506 0.010 . 1 . . . . . 89 THR HN . 17254 1 1046 . 1 1 89 89 THR HA H 1 4.381 0.010 . 1 . . . . . 89 THR HA . 17254 1 1047 . 1 1 89 89 THR HB H 1 4.097 0.024 . 1 . . . . . 89 THR HB . 17254 1 1048 . 1 1 89 89 THR HG21 H 1 1.224 0.012 . 1 . . . . . 89 THR QG2 . 17254 1 1049 . 1 1 89 89 THR HG22 H 1 1.224 0.012 . 1 . . . . . 89 THR QG2 . 17254 1 1050 . 1 1 89 89 THR HG23 H 1 1.224 0.012 . 1 . . . . . 89 THR QG2 . 17254 1 1051 . 1 1 89 89 THR C C 13 175.023 0.000 . 1 . . . . . 89 THR C . 17254 1 1052 . 1 1 89 89 THR CA C 13 61.116 0.159 . 1 . . . . . 89 THR CA . 17254 1 1053 . 1 1 89 89 THR CB C 13 70.777 0.229 . 1 . . . . . 89 THR CB . 17254 1 1054 . 1 1 89 89 THR CG2 C 13 22.138 0.065 . 1 . . . . . 89 THR CG2 . 17254 1 1055 . 1 1 89 89 THR N N 15 112.612 0.127 . 1 . . . . . 89 THR N . 17254 1 1056 . 1 1 90 90 HIS H H 1 9.989 0.014 . 1 . . . . . 90 HIS HN . 17254 1 1057 . 1 1 90 90 HIS HA H 1 3.864 0.011 . 1 . . . . . 90 HIS HA . 17254 1 1058 . 1 1 90 90 HIS HB2 H 1 3.546 0.011 . 2 . . . . . 90 HIS HB2 . 17254 1 1059 . 1 1 90 90 HIS HB3 H 1 3.286 0.009 . 2 . . . . . 90 HIS HB3 . 17254 1 1060 . 1 1 90 90 HIS HD2 H 1 6.868 0.006 . 1 . . . . . 90 HIS HD2 . 17254 1 1061 . 1 1 90 90 HIS HE1 H 1 7.730 0.008 . 1 . . . . . 90 HIS HE1 . 17254 1 1062 . 1 1 90 90 HIS C C 13 177.411 0.000 . 1 . . . . . 90 HIS C . 17254 1 1063 . 1 1 90 90 HIS CA C 13 61.701 0.073 . 1 . . . . . 90 HIS CA . 17254 1 1064 . 1 1 90 90 HIS CB C 13 29.110 0.096 . 1 . . . . . 90 HIS CB . 17254 1 1065 . 1 1 90 90 HIS CD2 C 13 124.364 0.184 . 1 . . . . . 90 HIS CD2 . 17254 1 1066 . 1 1 90 90 HIS CE1 C 13 137.237 0.010 . 1 . . . . . 90 HIS CE1 . 17254 1 1067 . 1 1 90 90 HIS N N 15 122.908 0.111 . 1 . . . . . 90 HIS N . 17254 1 1068 . 1 1 91 91 ASP H H 1 9.185 0.003 . 1 . . . . . 91 ASP HN . 17254 1 1069 . 1 1 91 91 ASP HA H 1 4.301 0.010 . 1 . . . . . 91 ASP HA . 17254 1 1070 . 1 1 91 91 ASP HB2 H 1 2.652 0.009 . 1 . . . . . 91 ASP HB2 . 17254 1 1071 . 1 1 91 91 ASP HB3 H 1 2.410 0.007 . 1 . . . . . 91 ASP HB3 . 17254 1 1072 . 1 1 91 91 ASP C C 13 178.552 0.000 . 1 . . . . . 91 ASP C . 17254 1 1073 . 1 1 91 91 ASP CA C 13 57.525 0.104 . 1 . . . . . 91 ASP CA . 17254 1 1074 . 1 1 91 91 ASP CB C 13 41.698 0.110 . 1 . . . . . 91 ASP CB . 17254 1 1075 . 1 1 91 91 ASP N N 15 115.990 0.144 . 1 . . . . . 91 ASP N . 17254 1 1076 . 1 1 92 92 GLN H H 1 7.808 0.005 . 1 . . . . . 92 GLN HN . 17254 1 1077 . 1 1 92 92 GLN HA H 1 3.791 0.007 . 1 . . . . . 92 GLN HA . 17254 1 1078 . 1 1 92 92 GLN HB2 H 1 2.361 0.002 . 2 . . . . . 92 GLN HB2 . 17254 1 1079 . 1 1 92 92 GLN HB3 H 1 1.868 0.007 . 2 . . . . . 92 GLN HB3 . 17254 1 1080 . 1 1 92 92 GLN HG2 H 1 2.380 0.022 . 2 . . . . . 92 GLN QG . 17254 1 1081 . 1 1 92 92 GLN HG3 H 1 2.380 0.022 . 2 . . . . . 92 GLN QG . 17254 1 1082 . 1 1 92 92 GLN HE21 H 1 7.456 0.004 . 2 . . . . . 92 GLN HE21 . 17254 1 1083 . 1 1 92 92 GLN HE22 H 1 6.883 0.011 . 2 . . . . . 92 GLN HE22 . 17254 1 1084 . 1 1 92 92 GLN C C 13 179.313 0.000 . 1 . . . . . 92 GLN C . 17254 1 1085 . 1 1 92 92 GLN CA C 13 58.899 0.086 . 1 . . . . . 92 GLN CA . 17254 1 1086 . 1 1 92 92 GLN CB C 13 28.859 0.128 . 1 . . . . . 92 GLN CB . 17254 1 1087 . 1 1 92 92 GLN CG C 13 34.801 0.090 . 1 . . . . . 92 GLN CG . 17254 1 1088 . 1 1 92 92 GLN CD C 13 180.317 0.001 . 1 . . . . . 92 GLN CD . 17254 1 1089 . 1 1 92 92 GLN N N 15 118.454 0.221 . 1 . . . . . 92 GLN N . 17254 1 1090 . 1 1 92 92 GLN NE2 N 15 111.173 0.163 . 1 . . . . . 92 GLN NE2 . 17254 1 1091 . 1 1 93 93 ALA H H 1 7.967 0.011 . 1 . . . . . 93 ALA HN . 17254 1 1092 . 1 1 93 93 ALA HA H 1 3.832 0.015 . 1 . . . . . 93 ALA HA . 17254 1 1093 . 1 1 93 93 ALA HB1 H 1 1.269 0.015 . 1 . . . . . 93 ALA QB . 17254 1 1094 . 1 1 93 93 ALA HB2 H 1 1.269 0.015 . 1 . . . . . 93 ALA QB . 17254 1 1095 . 1 1 93 93 ALA HB3 H 1 1.269 0.015 . 1 . . . . . 93 ALA QB . 17254 1 1096 . 1 1 93 93 ALA C C 13 178.754 0.000 . 1 . . . . . 93 ALA C . 17254 1 1097 . 1 1 93 93 ALA CA C 13 55.280 0.052 . 1 . . . . . 93 ALA CA . 17254 1 1098 . 1 1 93 93 ALA CB C 13 18.986 0.090 . 1 . . . . . 93 ALA CB . 17254 1 1099 . 1 1 93 93 ALA N N 15 121.707 0.147 . 1 . . . . . 93 ALA N . 17254 1 1100 . 1 1 94 94 ARG H H 1 8.258 0.014 . 1 . . . . . 94 ARG HN . 17254 1 1101 . 1 1 94 94 ARG HA H 1 3.567 0.006 . 1 . . . . . 94 ARG HA . 17254 1 1102 . 1 1 94 94 ARG HB2 H 1 1.833 0.011 . 1 . . . . . 94 ARG HB2 . 17254 1 1103 . 1 1 94 94 ARG HB3 H 1 1.676 0.010 . 1 . . . . . 94 ARG HB3 . 17254 1 1104 . 1 1 94 94 ARG HG2 H 1 1.563 0.011 . 1 . . . . . 94 ARG HG2 . 17254 1 1105 . 1 1 94 94 ARG HG3 H 1 1.339 0.007 . 1 . . . . . 94 ARG HG3 . 17254 1 1106 . 1 1 94 94 ARG HD2 H 1 3.182 0.004 . 1 . . . . . 94 ARG QD . 17254 1 1107 . 1 1 94 94 ARG HD3 H 1 3.182 0.004 . 1 . . . . . 94 ARG QD . 17254 1 1108 . 1 1 94 94 ARG C C 13 180.137 0.000 . 1 . . . . . 94 ARG C . 17254 1 1109 . 1 1 94 94 ARG CA C 13 59.887 0.094 . 1 . . . . . 94 ARG CA . 17254 1 1110 . 1 1 94 94 ARG CB C 13 29.895 0.075 . 1 . . . . . 94 ARG CB . 17254 1 1111 . 1 1 94 94 ARG CG C 13 27.187 0.145 . 1 . . . . . 94 ARG CG . 17254 1 1112 . 1 1 94 94 ARG CD C 13 43.276 0.000 . 1 . . . . . 94 ARG CD . 17254 1 1113 . 1 1 94 94 ARG N N 15 117.066 0.128 . 1 . . . . . 94 ARG N . 17254 1 1114 . 1 1 95 95 LYS H H 1 8.410 0.005 . 1 . . . . . 95 LYS HN . 17254 1 1115 . 1 1 95 95 LYS HA H 1 3.720 0.019 . 1 . . . . . 95 LYS HA . 17254 1 1116 . 1 1 95 95 LYS HB2 H 1 1.755 0.009 . 1 . . . . . 95 LYS HB2 . 17254 1 1117 . 1 1 95 95 LYS HB3 H 1 1.650 0.016 . 1 . . . . . 95 LYS HB3 . 17254 1 1118 . 1 1 95 95 LYS HG2 H 1 1.469 0.008 . 1 . . . . . 95 LYS HG2 . 17254 1 1119 . 1 1 95 95 LYS HG3 H 1 1.258 0.013 . 1 . . . . . 95 LYS HG3 . 17254 1 1120 . 1 1 95 95 LYS HD2 H 1 1.508 0.055 . 1 . . . . . 95 LYS QD . 17254 1 1121 . 1 1 95 95 LYS HD3 H 1 1.508 0.055 . 1 . . . . . 95 LYS QD . 17254 1 1122 . 1 1 95 95 LYS HE2 H 1 2.831 0.011 . 1 . . . . . 95 LYS QE . 17254 1 1123 . 1 1 95 95 LYS HE3 H 1 2.831 0.011 . 1 . . . . . 95 LYS QE . 17254 1 1124 . 1 1 95 95 LYS C C 13 179.265 0.000 . 1 . . . . . 95 LYS C . 17254 1 1125 . 1 1 95 95 LYS CA C 13 59.559 0.098 . 1 . . . . . 95 LYS CA . 17254 1 1126 . 1 1 95 95 LYS CB C 13 32.178 0.104 . 1 . . . . . 95 LYS CB . 17254 1 1127 . 1 1 95 95 LYS CG C 13 25.880 0.105 . 1 . . . . . 95 LYS CG . 17254 1 1128 . 1 1 95 95 LYS CD C 13 28.950 0.053 . 1 . . . . . 95 LYS CD . 17254 1 1129 . 1 1 95 95 LYS N N 15 120.092 0.135 . 1 . . . . . 95 LYS N . 17254 1 1130 . 1 1 96 96 ARG H H 1 7.454 0.006 . 1 . . . . . 96 ARG HN . 17254 1 1131 . 1 1 96 96 ARG HA H 1 3.859 0.011 . 1 . . . . . 96 ARG HA . 17254 1 1132 . 1 1 96 96 ARG HB2 H 1 1.707 0.020 . 1 . . . . . 96 ARG HB2 . 17254 1 1133 . 1 1 96 96 ARG HB3 H 1 1.603 0.010 . 1 . . . . . 96 ARG HB3 . 17254 1 1134 . 1 1 96 96 ARG HG2 H 1 1.475 0.003 . 1 . . . . . 96 ARG HG2 . 17254 1 1135 . 1 1 96 96 ARG HG3 H 1 1.355 0.010 . 1 . . . . . 96 ARG HG3 . 17254 1 1136 . 1 1 96 96 ARG HD2 H 1 2.437 0.005 . 1 . . . . . 96 ARG QD . 17254 1 1137 . 1 1 96 96 ARG HD3 H 1 2.437 0.005 . 1 . . . . . 96 ARG QD . 17254 1 1138 . 1 1 96 96 ARG C C 13 178.665 0.000 . 1 . . . . . 96 ARG C . 17254 1 1139 . 1 1 96 96 ARG CA C 13 57.470 0.126 . 1 . . . . . 96 ARG CA . 17254 1 1140 . 1 1 96 96 ARG CB C 13 29.387 0.139 . 1 . . . . . 96 ARG CB . 17254 1 1141 . 1 1 96 96 ARG CG C 13 26.337 0.090 . 1 . . . . . 96 ARG CG . 17254 1 1142 . 1 1 96 96 ARG CD C 13 42.469 0.040 . 1 . . . . . 96 ARG CD . 17254 1 1143 . 1 1 96 96 ARG N N 15 116.310 0.242 . 1 . . . . . 96 ARG N . 17254 1 1144 . 1 1 97 97 LEU H H 1 7.602 0.013 . 1 . . . . . 97 LEU HN . 17254 1 1145 . 1 1 97 97 LEU HA H 1 3.999 0.007 . 1 . . . . . 97 LEU HA . 17254 1 1146 . 1 1 97 97 LEU HB2 H 1 2.433 0.010 . 2 . . . . . 97 LEU QB . 17254 1 1147 . 1 1 97 97 LEU HB3 H 1 2.433 0.010 . 2 . . . . . 97 LEU QB . 17254 1 1148 . 1 1 97 97 LEU HG H 1 1.351 0.020 . 1 . . . . . 97 LEU HG . 17254 1 1149 . 1 1 97 97 LEU HD11 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1150 . 1 1 97 97 LEU HD12 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1151 . 1 1 97 97 LEU HD13 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1152 . 1 1 97 97 LEU HD21 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1153 . 1 1 97 97 LEU HD22 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1154 . 1 1 97 97 LEU HD23 H 1 1.025 0.011 . 1 . . . . . 97 LEU QQD . 17254 1 1155 . 1 1 97 97 LEU C C 13 176.330 0.000 . 1 . . . . . 97 LEU C . 17254 1 1156 . 1 1 97 97 LEU CA C 13 56.818 0.526 . 1 . . . . . 97 LEU CA . 17254 1 1157 . 1 1 97 97 LEU CB C 13 34.197 0.024 . 1 . . . . . 97 LEU CB . 17254 1 1158 . 1 1 97 97 LEU N N 15 117.299 0.137 . 1 . . . . . 97 LEU N . 17254 1 1159 . 1 1 98 98 THR H H 1 7.185 0.015 . 1 . . . . . 98 THR HN . 17254 1 1160 . 1 1 98 98 THR HA H 1 4.541 0.016 . 1 . . . . . 98 THR HA . 17254 1 1161 . 1 1 98 98 THR HB H 1 4.253 0.008 . 1 . . . . . 98 THR HB . 17254 1 1162 . 1 1 98 98 THR HG21 H 1 1.115 0.015 . 1 . . . . . 98 THR QG2 . 17254 1 1163 . 1 1 98 98 THR HG22 H 1 1.115 0.015 . 1 . . . . . 98 THR QG2 . 17254 1 1164 . 1 1 98 98 THR HG23 H 1 1.115 0.015 . 1 . . . . . 98 THR QG2 . 17254 1 1165 . 1 1 98 98 THR C C 13 174.776 0.000 . 1 . . . . . 98 THR C . 17254 1 1166 . 1 1 98 98 THR CA C 13 60.281 0.121 . 1 . . . . . 98 THR CA . 17254 1 1167 . 1 1 98 98 THR CB C 13 69.126 0.093 . 1 . . . . . 98 THR CB . 17254 1 1168 . 1 1 98 98 THR CG2 C 13 22.632 0.290 . 1 . . . . . 98 THR CG2 . 17254 1 1169 . 1 1 98 98 THR N N 15 103.957 0.523 . 1 . . . . . 98 THR N . 17254 1 1170 . 1 1 99 99 LYS H H 1 7.005 0.005 . 1 . . . . . 99 LYS HN . 17254 1 1171 . 1 1 99 99 LYS HA H 1 4.136 0.007 . 1 . . . . . 99 LYS HA . 17254 1 1172 . 1 1 99 99 LYS HB2 H 1 1.766 0.016 . 1 . . . . . 99 LYS HB2 . 17254 1 1173 . 1 1 99 99 LYS HB3 H 1 1.621 0.003 . 1 . . . . . 99 LYS HB3 . 17254 1 1174 . 1 1 99 99 LYS HG2 H 1 1.485 0.015 . 1 . . . . . 99 LYS HG2 . 17254 1 1175 . 1 1 99 99 LYS HG3 H 1 1.293 0.005 . 1 . . . . . 99 LYS HG3 . 17254 1 1176 . 1 1 99 99 LYS HD2 H 1 1.615 0.015 . 1 . . . . . 99 LYS QD . 17254 1 1177 . 1 1 99 99 LYS HD3 H 1 1.615 0.015 . 1 . . . . . 99 LYS QD . 17254 1 1178 . 1 1 99 99 LYS C C 13 178.407 0.000 . 1 . . . . . 99 LYS C . 17254 1 1179 . 1 1 99 99 LYS CA C 13 57.649 0.074 . 1 . . . . . 99 LYS CA . 17254 1 1180 . 1 1 99 99 LYS CB C 13 31.969 0.169 . 1 . . . . . 99 LYS CB . 17254 1 1181 . 1 1 99 99 LYS CG C 13 24.827 0.108 . 1 . . . . . 99 LYS CG . 17254 1 1182 . 1 1 99 99 LYS CD C 13 28.933 0.000 . 1 . . . . . 99 LYS CD . 17254 1 1183 . 1 1 99 99 LYS N N 15 124.162 0.113 . 1 . . . . . 99 LYS N . 17254 1 1184 . 1 1 100 100 ARG H H 1 8.693 0.016 . 1 . . . . . 100 ARG HN . 17254 1 1185 . 1 1 100 100 ARG HA H 1 3.902 0.012 . 1 . . . . . 100 ARG HA . 17254 1 1186 . 1 1 100 100 ARG HB2 H 1 1.828 0.010 . 1 . . . . . 100 ARG QB . 17254 1 1187 . 1 1 100 100 ARG HB3 H 1 1.828 0.010 . 1 . . . . . 100 ARG QB . 17254 1 1188 . 1 1 100 100 ARG HG2 H 1 1.713 0.010 . 1 . . . . . 100 ARG HG2 . 17254 1 1189 . 1 1 100 100 ARG HG3 H 1 1.678 0.007 . 1 . . . . . 100 ARG HG3 . 17254 1 1190 . 1 1 100 100 ARG HD2 H 1 3.213 0.003 . 1 . . . . . 100 ARG QD . 17254 1 1191 . 1 1 100 100 ARG HD3 H 1 3.213 0.003 . 1 . . . . . 100 ARG QD . 17254 1 1192 . 1 1 100 100 ARG C C 13 176.110 0.000 . 1 . . . . . 100 ARG C . 17254 1 1193 . 1 1 100 100 ARG CA C 13 58.488 0.104 . 1 . . . . . 100 ARG CA . 17254 1 1194 . 1 1 100 100 ARG CB C 13 30.058 0.088 . 1 . . . . . 100 ARG CB . 17254 1 1195 . 1 1 100 100 ARG CG C 13 27.514 0.053 . 1 . . . . . 100 ARG CG . 17254 1 1196 . 1 1 100 100 ARG CD C 13 43.228 0.094 . 1 . . . . . 100 ARG CD . 17254 1 1197 . 1 1 100 100 ARG N N 15 127.484 0.378 . 1 . . . . . 100 ARG N . 17254 1 1198 . 1 1 101 101 SER H H 1 7.597 0.015 . 1 . . . . . 101 SER HN . 17254 1 1199 . 1 1 101 101 SER HA H 1 4.233 0.004 . 1 . . . . . 101 SER HA . 17254 1 1200 . 1 1 101 101 SER HB2 H 1 4.064 0.007 . 2 . . . . . 101 SER HB2 . 17254 1 1201 . 1 1 101 101 SER HB3 H 1 3.716 0.016 . 2 . . . . . 101 SER HB3 . 17254 1 1202 . 1 1 101 101 SER C C 13 174.046 0.000 . 1 . . . . . 101 SER C . 17254 1 1203 . 1 1 101 101 SER CA C 13 58.167 0.139 . 1 . . . . . 101 SER CA . 17254 1 1204 . 1 1 101 101 SER CB C 13 62.969 0.162 . 1 . . . . . 101 SER CB . 17254 1 1205 . 1 1 101 101 SER N N 15 109.086 0.157 . 1 . . . . . 101 SER N . 17254 1 1206 . 1 1 102 102 GLU H H 1 7.165 0.007 . 1 . . . . . 102 GLU HN . 17254 1 1207 . 1 1 102 102 GLU HA H 1 4.503 0.016 . 1 . . . . . 102 GLU HA . 17254 1 1208 . 1 1 102 102 GLU HB2 H 1 1.748 0.007 . 1 . . . . . 102 GLU QB . 17254 1 1209 . 1 1 102 102 GLU HB3 H 1 1.748 0.007 . 1 . . . . . 102 GLU QB . 17254 1 1210 . 1 1 102 102 GLU HG2 H 1 2.144 0.005 . 1 . . . . . 102 GLU HG2 . 17254 1 1211 . 1 1 102 102 GLU HG3 H 1 2.076 0.011 . 1 . . . . . 102 GLU HG3 . 17254 1 1212 . 1 1 102 102 GLU C C 13 175.151 0.000 . 1 . . . . . 102 GLU C . 17254 1 1213 . 1 1 102 102 GLU CA C 13 54.722 0.089 . 1 . . . . . 102 GLU CA . 17254 1 1214 . 1 1 102 102 GLU CB C 13 30.739 0.137 . 1 . . . . . 102 GLU CB . 17254 1 1215 . 1 1 102 102 GLU CG C 13 36.083 0.048 . 1 . . . . . 102 GLU CG . 17254 1 1216 . 1 1 102 102 GLU N N 15 121.519 0.137 . 1 . . . . . 102 GLU N . 17254 1 1217 . 1 1 103 103 GLU H H 1 8.733 0.020 . 1 . . . . . 103 GLU HN . 17254 1 1218 . 1 1 103 103 GLU HA H 1 4.008 0.011 . 1 . . . . . 103 GLU HA . 17254 1 1219 . 1 1 103 103 GLU HB2 H 1 1.931 0.019 . 1 . . . . . 103 GLU QB . 17254 1 1220 . 1 1 103 103 GLU HB3 H 1 1.931 0.019 . 1 . . . . . 103 GLU QB . 17254 1 1221 . 1 1 103 103 GLU HG2 H 1 2.289 0.004 . 1 . . . . . 103 GLU HG2 . 17254 1 1222 . 1 1 103 103 GLU HG3 H 1 2.145 0.010 . 1 . . . . . 103 GLU HG3 . 17254 1 1223 . 1 1 103 103 GLU C C 13 174.747 0.000 . 1 . . . . . 103 GLU C . 17254 1 1224 . 1 1 103 103 GLU CA C 13 57.945 0.093 . 1 . . . . . 103 GLU CA . 17254 1 1225 . 1 1 103 103 GLU CB C 13 30.339 0.233 . 1 . . . . . 103 GLU CB . 17254 1 1226 . 1 1 103 103 GLU CG C 13 37.076 0.115 . 1 . . . . . 103 GLU CG . 17254 1 1227 . 1 1 103 103 GLU N N 15 123.304 0.110 . 1 . . . . . 103 GLU N . 17254 1 1228 . 1 1 104 104 VAL H H 1 7.589 0.018 . 1 . . . . . 104 VAL HN . 17254 1 1229 . 1 1 104 104 VAL HA H 1 4.821 0.015 . 1 . . . . . 104 VAL HA . 17254 1 1230 . 1 1 104 104 VAL HB H 1 1.704 0.011 . 1 . . . . . 104 VAL HB . 17254 1 1231 . 1 1 104 104 VAL HG11 H 1 0.481 0.005 . 1 . . . . . 104 VAL QG1 . 17254 1 1232 . 1 1 104 104 VAL HG12 H 1 0.481 0.005 . 1 . . . . . 104 VAL QG1 . 17254 1 1233 . 1 1 104 104 VAL HG13 H 1 0.481 0.005 . 1 . . . . . 104 VAL QG1 . 17254 1 1234 . 1 1 104 104 VAL HG21 H 1 0.508 0.008 . 1 . . . . . 104 VAL QG2 . 17254 1 1235 . 1 1 104 104 VAL HG22 H 1 0.508 0.008 . 1 . . . . . 104 VAL QG2 . 17254 1 1236 . 1 1 104 104 VAL HG23 H 1 0.508 0.008 . 1 . . . . . 104 VAL QG2 . 17254 1 1237 . 1 1 104 104 VAL C C 13 175.446 0.000 . 1 . . . . . 104 VAL C . 17254 1 1238 . 1 1 104 104 VAL CA C 13 60.205 0.168 . 1 . . . . . 104 VAL CA . 17254 1 1239 . 1 1 104 104 VAL CB C 13 34.629 0.093 . 1 . . . . . 104 VAL CB . 17254 1 1240 . 1 1 104 104 VAL CG1 C 13 21.194 0.060 . 2 . . . . . 104 VAL CG1 . 17254 1 1241 . 1 1 104 104 VAL CG2 C 13 20.779 0.046 . 2 . . . . . 104 VAL CG2 . 17254 1 1242 . 1 1 104 104 VAL N N 15 117.592 0.102 . 1 . . . . . 104 VAL N . 17254 1 1243 . 1 1 105 105 VAL H H 1 8.764 0.014 . 1 . . . . . 105 VAL HN . 17254 1 1244 . 1 1 105 105 VAL HA H 1 4.595 0.010 . 1 . . . . . 105 VAL HA . 17254 1 1245 . 1 1 105 105 VAL HB H 1 1.866 0.005 . 1 . . . . . 105 VAL HB . 17254 1 1246 . 1 1 105 105 VAL HG11 H 1 0.947 0.004 . 1 . . . . . 105 VAL QG1 . 17254 1 1247 . 1 1 105 105 VAL HG12 H 1 0.947 0.004 . 1 . . . . . 105 VAL QG1 . 17254 1 1248 . 1 1 105 105 VAL HG13 H 1 0.947 0.004 . 1 . . . . . 105 VAL QG1 . 17254 1 1249 . 1 1 105 105 VAL HG21 H 1 0.905 0.008 . 1 . . . . . 105 VAL QG2 . 17254 1 1250 . 1 1 105 105 VAL HG22 H 1 0.905 0.008 . 1 . . . . . 105 VAL QG2 . 17254 1 1251 . 1 1 105 105 VAL HG23 H 1 0.905 0.008 . 1 . . . . . 105 VAL QG2 . 17254 1 1252 . 1 1 105 105 VAL C C 13 173.303 0.000 . 1 . . . . . 105 VAL C . 17254 1 1253 . 1 1 105 105 VAL CA C 13 59.725 0.117 . 1 . . . . . 105 VAL CA . 17254 1 1254 . 1 1 105 105 VAL CB C 13 34.292 0.130 . 1 . . . . . 105 VAL CB . 17254 1 1255 . 1 1 105 105 VAL CG1 C 13 21.267 0.193 . 2 . . . . . 105 VAL CG1 . 17254 1 1256 . 1 1 105 105 VAL CG2 C 13 22.733 0.077 . 2 . . . . . 105 VAL CG2 . 17254 1 1257 . 1 1 105 105 VAL N N 15 121.000 0.105 . 1 . . . . . 105 VAL N . 17254 1 1258 . 1 1 106 106 ARG H H 1 8.842 0.018 . 1 . . . . . 106 ARG HN . 17254 1 1259 . 1 1 106 106 ARG HA H 1 4.724 0.010 . 1 . . . . . 106 ARG HA . 17254 1 1260 . 1 1 106 106 ARG HB2 H 1 1.839 0.016 . 1 . . . . . 106 ARG HB2 . 17254 1 1261 . 1 1 106 106 ARG HB3 H 1 1.792 0.028 . 1 . . . . . 106 ARG HB3 . 17254 1 1262 . 1 1 106 106 ARG HG2 H 1 1.514 0.016 . 1 . . . . . 106 ARG HG2 . 17254 1 1263 . 1 1 106 106 ARG HG3 H 1 1.345 0.009 . 1 . . . . . 106 ARG HG3 . 17254 1 1264 . 1 1 106 106 ARG HD2 H 1 2.898 0.007 . 1 . . . . . 106 ARG HD2 . 17254 1 1265 . 1 1 106 106 ARG HD3 H 1 2.381 0.004 . 1 . . . . . 106 ARG HD3 . 17254 1 1266 . 1 1 106 106 ARG C C 13 175.423 0.000 . 1 . . . . . 106 ARG C . 17254 1 1267 . 1 1 106 106 ARG CA C 13 55.515 0.105 . 1 . . . . . 106 ARG CA . 17254 1 1268 . 1 1 106 106 ARG CB C 13 29.879 0.079 . 1 . . . . . 106 ARG CB . 17254 1 1269 . 1 1 106 106 ARG CG C 13 28.355 0.143 . 1 . . . . . 106 ARG CG . 17254 1 1270 . 1 1 106 106 ARG CD C 13 43.559 0.122 . 1 . . . . . 106 ARG CD . 17254 1 1271 . 1 1 106 106 ARG N N 15 126.175 0.223 . 1 . . . . . 106 ARG N . 17254 1 1272 . 1 1 107 107 LEU H H 1 9.447 0.012 . 1 . . . . . 107 LEU HN . 17254 1 1273 . 1 1 107 107 LEU HA H 1 5.247 0.004 . 1 . . . . . 107 LEU HA . 17254 1 1274 . 1 1 107 107 LEU HB2 H 1 1.686 0.009 . 2 . . . . . 107 LEU QB . 17254 1 1275 . 1 1 107 107 LEU HB3 H 1 1.686 0.009 . 2 . . . . . 107 LEU QB . 17254 1 1276 . 1 1 107 107 LEU HG H 1 1.236 0.018 . 1 . . . . . 107 LEU HG . 17254 1 1277 . 1 1 107 107 LEU HD11 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1278 . 1 1 107 107 LEU HD12 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1279 . 1 1 107 107 LEU HD13 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1280 . 1 1 107 107 LEU HD21 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1281 . 1 1 107 107 LEU HD22 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1282 . 1 1 107 107 LEU HD23 H 1 0.853 0.014 . 1 . . . . . 107 LEU QQD . 17254 1 1283 . 1 1 107 107 LEU C C 13 176.451 0.000 . 1 . . . . . 107 LEU C . 17254 1 1284 . 1 1 107 107 LEU CA C 13 53.338 0.040 . 1 . . . . . 107 LEU CA . 17254 1 1285 . 1 1 107 107 LEU CB C 13 41.631 0.000 . 1 . . . . . 107 LEU CB . 17254 1 1286 . 1 1 107 107 LEU CG C 13 25.912 0.065 . 1 . . . . . 107 LEU CG . 17254 1 1287 . 1 1 107 107 LEU N N 15 125.682 0.101 . 1 . . . . . 107 LEU N . 17254 1 1288 . 1 1 108 108 LEU H H 1 7.906 0.007 . 1 . . . . . 108 LEU HN . 17254 1 1289 . 1 1 108 108 LEU HA H 1 5.037 0.022 . 1 . . . . . 108 LEU HA . 17254 1 1290 . 1 1 108 108 LEU HB2 H 1 1.369 0.006 . 2 . . . . . 108 LEU QB . 17254 1 1291 . 1 1 108 108 LEU HB3 H 1 1.369 0.006 . 2 . . . . . 108 LEU QB . 17254 1 1292 . 1 1 108 108 LEU HG H 1 1.097 0.008 . 1 . . . . . 108 LEU HG . 17254 1 1293 . 1 1 108 108 LEU HD11 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1294 . 1 1 108 108 LEU HD12 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1295 . 1 1 108 108 LEU HD13 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1296 . 1 1 108 108 LEU HD21 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1297 . 1 1 108 108 LEU HD22 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1298 . 1 1 108 108 LEU HD23 H 1 0.709 0.012 . 1 . . . . . 108 LEU QQD . 17254 1 1299 . 1 1 108 108 LEU C C 13 176.295 0.000 . 1 . . . . . 108 LEU C . 17254 1 1300 . 1 1 108 108 LEU CA C 13 54.777 0.398 . 1 . . . . . 108 LEU CA . 17254 1 1301 . 1 1 108 108 LEU CB C 13 44.285 0.136 . 1 . . . . . 108 LEU CB . 17254 1 1302 . 1 1 108 108 LEU CG C 13 24.282 0.000 . 1 . . . . . 108 LEU CG . 17254 1 1303 . 1 1 108 108 LEU N N 15 123.684 0.105 . 1 . . . . . 108 LEU N . 17254 1 1304 . 1 1 109 109 VAL H H 1 9.081 0.008 . 1 . . . . . 109 VAL HN . 17254 1 1305 . 1 1 109 109 VAL HA H 1 5.611 0.008 . 1 . . . . . 109 VAL HA . 17254 1 1306 . 1 1 109 109 VAL HB H 1 1.863 0.022 . 1 . . . . . 109 VAL HB . 17254 1 1307 . 1 1 109 109 VAL HG11 H 1 0.557 0.007 . 1 . . . . . 109 VAL QG1 . 17254 1 1308 . 1 1 109 109 VAL HG12 H 1 0.557 0.007 . 1 . . . . . 109 VAL QG1 . 17254 1 1309 . 1 1 109 109 VAL HG13 H 1 0.557 0.007 . 1 . . . . . 109 VAL QG1 . 17254 1 1310 . 1 1 109 109 VAL HG21 H 1 0.587 0.008 . 1 . . . . . 109 VAL QG2 . 17254 1 1311 . 1 1 109 109 VAL HG22 H 1 0.587 0.008 . 1 . . . . . 109 VAL QG2 . 17254 1 1312 . 1 1 109 109 VAL HG23 H 1 0.587 0.008 . 1 . . . . . 109 VAL QG2 . 17254 1 1313 . 1 1 109 109 VAL C C 13 174.671 0.000 . 1 . . . . . 109 VAL C . 17254 1 1314 . 1 1 109 109 VAL CA C 13 58.007 0.080 . 1 . . . . . 109 VAL CA . 17254 1 1315 . 1 1 109 109 VAL CB C 13 35.316 0.250 . 1 . . . . . 109 VAL CB . 17254 1 1316 . 1 1 109 109 VAL CG1 C 13 18.316 0.045 . 2 . . . . . 109 VAL CG1 . 17254 1 1317 . 1 1 109 109 VAL CG2 C 13 21.324 0.066 . 2 . . . . . 109 VAL CG2 . 17254 1 1318 . 1 1 109 109 VAL N N 15 119.516 0.084 . 1 . . . . . 109 VAL N . 17254 1 1319 . 1 1 110 110 THR H H 1 8.926 0.005 . 1 . . . . . 110 THR HN . 17254 1 1320 . 1 1 110 110 THR HA H 1 5.106 0.007 . 1 . . . . . 110 THR HA . 17254 1 1321 . 1 1 110 110 THR HB H 1 3.941 0.007 . 1 . . . . . 110 THR HB . 17254 1 1322 . 1 1 110 110 THR HG21 H 1 1.072 0.012 . 1 . . . . . 110 THR QG2 . 17254 1 1323 . 1 1 110 110 THR HG22 H 1 1.072 0.012 . 1 . . . . . 110 THR QG2 . 17254 1 1324 . 1 1 110 110 THR HG23 H 1 1.072 0.012 . 1 . . . . . 110 THR QG2 . 17254 1 1325 . 1 1 110 110 THR C C 13 173.001 0.000 . 1 . . . . . 110 THR C . 17254 1 1326 . 1 1 110 110 THR CA C 13 60.459 0.129 . 1 . . . . . 110 THR CA . 17254 1 1327 . 1 1 110 110 THR CB C 13 70.979 0.090 . 1 . . . . . 110 THR CB . 17254 1 1328 . 1 1 110 110 THR CG2 C 13 21.717 0.089 . 1 . . . . . 110 THR CG2 . 17254 1 1329 . 1 1 110 110 THR N N 15 113.689 0.174 . 1 . . . . . 110 THR N . 17254 1 1330 . 1 1 111 111 ARG H H 1 8.732 0.006 . 1 . . . . . 111 ARG HN . 17254 1 1331 . 1 1 111 111 ARG HA H 1 4.767 0.015 . 1 . . . . . 111 ARG HA . 17254 1 1332 . 1 1 111 111 ARG HB2 H 1 1.862 0.014 . 1 . . . . . 111 ARG HB2 . 17254 1 1333 . 1 1 111 111 ARG HB3 H 1 1.525 0.009 . 1 . . . . . 111 ARG HB3 . 17254 1 1334 . 1 1 111 111 ARG HG2 H 1 1.503 0.013 . 1 . . . . . 111 ARG HG2 . 17254 1 1335 . 1 1 111 111 ARG HG3 H 1 1.421 0.011 . 1 . . . . . 111 ARG HG3 . 17254 1 1336 . 1 1 111 111 ARG HD2 H 1 2.982 0.012 . 1 . . . . . 111 ARG HD2 . 17254 1 1337 . 1 1 111 111 ARG HD3 H 1 2.928 0.014 . 1 . . . . . 111 ARG HD3 . 17254 1 1338 . 1 1 111 111 ARG C C 13 175.195 0.000 . 1 . . . . . 111 ARG C . 17254 1 1339 . 1 1 111 111 ARG CA C 13 54.677 0.067 . 1 . . . . . 111 ARG CA . 17254 1 1340 . 1 1 111 111 ARG CB C 13 33.352 0.051 . 1 . . . . . 111 ARG CB . 17254 1 1341 . 1 1 111 111 ARG CG C 13 25.826 0.165 . 1 . . . . . 111 ARG CG . 17254 1 1342 . 1 1 111 111 ARG CD C 13 43.189 0.072 . 1 . . . . . 111 ARG CD . 17254 1 1343 . 1 1 111 111 ARG N N 15 125.719 0.136 . 1 . . . . . 111 ARG N . 17254 1 1344 . 1 1 112 112 GLN H H 1 8.848 0.009 . 1 . . . . . 112 GLN HN . 17254 1 1345 . 1 1 112 112 GLN HA H 1 4.437 0.007 . 1 . . . . . 112 GLN HA . 17254 1 1346 . 1 1 112 112 GLN HB2 H 1 2.039 0.024 . 2 . . . . . 112 GLN HB2 . 17254 1 1347 . 1 1 112 112 GLN HB3 H 1 1.980 0.012 . 2 . . . . . 112 GLN HB3 . 17254 1 1348 . 1 1 112 112 GLN HG2 H 1 2.412 0.016 . 2 . . . . . 112 GLN HG2 . 17254 1 1349 . 1 1 112 112 GLN HG3 H 1 2.362 0.010 . 2 . . . . . 112 GLN HG3 . 17254 1 1350 . 1 1 112 112 GLN HE21 H 1 7.605 0.013 . 2 . . . . . 112 GLN HE21 . 17254 1 1351 . 1 1 112 112 GLN HE22 H 1 6.863 0.014 . 2 . . . . . 112 GLN HE22 . 17254 1 1352 . 1 1 112 112 GLN C C 13 176.206 0.075 . 1 . . . . . 112 GLN C . 17254 1 1353 . 1 1 112 112 GLN CA C 13 55.931 0.166 . 1 . . . . . 112 GLN CA . 17254 1 1354 . 1 1 112 112 GLN CB C 13 29.528 0.201 . 1 . . . . . 112 GLN CB . 17254 1 1355 . 1 1 112 112 GLN CG C 13 33.905 0.167 . 1 . . . . . 112 GLN CG . 17254 1 1356 . 1 1 112 112 GLN CD C 13 180.088 0.008 . 1 . . . . . 112 GLN CD . 17254 1 1357 . 1 1 112 112 GLN N N 15 123.698 0.107 . 1 . . . . . 112 GLN N . 17254 1 1358 . 1 1 112 112 GLN NE2 N 15 111.936 0.224 . 1 . . . . . 112 GLN NE2 . 17254 1 1359 . 1 1 113 113 SER H H 1 8.497 0.006 . 1 . . . . . 113 SER HN . 17254 1 1360 . 1 1 113 113 SER HA H 1 4.372 0.008 . 1 . . . . . 113 SER HA . 17254 1 1361 . 1 1 113 113 SER HB2 H 1 3.782 0.016 . 2 . . . . . 113 SER QB . 17254 1 1362 . 1 1 113 113 SER HB3 H 1 3.782 0.016 . 2 . . . . . 113 SER QB . 17254 1 1363 . 1 1 113 113 SER C C 13 174.299 0.152 . 1 . . . . . 113 SER C . 17254 1 1364 . 1 1 113 113 SER CA C 13 58.362 0.123 . 1 . . . . . 113 SER CA . 17254 1 1365 . 1 1 113 113 SER CB C 13 63.861 0.088 . 1 . . . . . 113 SER CB . 17254 1 1366 . 1 1 113 113 SER N N 15 117.066 0.102 . 1 . . . . . 113 SER N . 17254 1 1367 . 1 1 114 114 LEU H H 1 8.222 0.012 . 1 . . . . . 114 LEU HN . 17254 1 1368 . 1 1 114 114 LEU HA H 1 4.333 0.019 . 1 . . . . . 114 LEU HA . 17254 1 1369 . 1 1 114 114 LEU HB2 H 1 1.572 0.011 . 2 . . . . . 114 LEU QB . 17254 1 1370 . 1 1 114 114 LEU HB3 H 1 1.572 0.011 . 2 . . . . . 114 LEU QB . 17254 1 1371 . 1 1 114 114 LEU HD11 H 1 0.812 0.011 . 1 . . . . . 114 LEU QD1 . 17254 1 1372 . 1 1 114 114 LEU HD12 H 1 0.812 0.011 . 1 . . . . . 114 LEU QD1 . 17254 1 1373 . 1 1 114 114 LEU HD13 H 1 0.812 0.011 . 1 . . . . . 114 LEU QD1 . 17254 1 1374 . 1 1 114 114 LEU HD21 H 1 0.866 0.012 . 1 . . . . . 114 LEU QD2 . 17254 1 1375 . 1 1 114 114 LEU HD22 H 1 0.866 0.012 . 1 . . . . . 114 LEU QD2 . 17254 1 1376 . 1 1 114 114 LEU HD23 H 1 0.866 0.012 . 1 . . . . . 114 LEU QD2 . 17254 1 1377 . 1 1 114 114 LEU C C 13 175.995 0.000 . 1 . . . . . 114 LEU C . 17254 1 1378 . 1 1 114 114 LEU CA C 13 55.191 0.097 . 1 . . . . . 114 LEU CA . 17254 1 1379 . 1 1 114 114 LEU CB C 13 42.341 0.063 . 1 . . . . . 114 LEU CB . 17254 1 1380 . 1 1 114 114 LEU CG C 13 27.057 0.000 . 1 . . . . . 114 LEU CG . 17254 1 1381 . 1 1 114 114 LEU CD1 C 13 24.635 0.000 . 2 . . . . . 114 LEU CD1 . 17254 1 1382 . 1 1 114 114 LEU CD2 C 13 24.635 0.000 . 2 . . . . . 114 LEU CD2 . 17254 1 1383 . 1 1 114 114 LEU N N 15 124.369 0.131 . 1 . . . . . 114 LEU N . 17254 1 1384 . 1 1 115 115 GLN H H 1 8.300 0.008 . 1 . . . . . 115 GLN HN . 17254 1 1385 . 1 1 115 115 GLN HA H 1 4.223 0.015 . 1 . . . . . 115 GLN HA . 17254 1 1386 . 1 1 115 115 GLN HB2 H 1 2.023 0.013 . 2 . . . . . 115 GLN HB2 . 17254 1 1387 . 1 1 115 115 GLN HB3 H 1 1.918 0.017 . 2 . . . . . 115 GLN HB3 . 17254 1 1388 . 1 1 115 115 GLN HG2 H 1 2.298 0.007 . 2 . . . . . 115 GLN QG . 17254 1 1389 . 1 1 115 115 GLN HG3 H 1 2.298 0.007 . 2 . . . . . 115 GLN QG . 17254 1 1390 . 1 1 115 115 GLN HE21 H 1 7.511 0.008 . 2 . . . . . 115 GLN HE21 . 17254 1 1391 . 1 1 115 115 GLN C C 13 175.897 0.000 . 1 . . . . . 115 GLN C . 17254 1 1392 . 1 1 115 115 GLN CA C 13 55.995 0.073 . 1 . . . . . 115 GLN CA . 17254 1 1393 . 1 1 115 115 GLN CB C 13 29.328 0.079 . 1 . . . . . 115 GLN CB . 17254 1 1394 . 1 1 115 115 GLN CG C 13 33.838 0.070 . 1 . . . . . 115 GLN CG . 17254 1 1395 . 1 1 115 115 GLN N N 15 121.367 0.141 . 1 . . . . . 115 GLN N . 17254 1 1396 . 1 1 115 115 GLN NE2 N 15 112.635 0.025 . 1 . . . . . 115 GLN NE2 . 17254 1 1397 . 1 1 116 116 LYS H H 1 8.249 0.006 . 1 . . . . . 116 LYS HN . 17254 1 1398 . 1 1 116 116 LYS HA H 1 4.206 0.015 . 1 . . . . . 116 LYS HA . 17254 1 1399 . 1 1 116 116 LYS HB2 H 1 1.756 0.010 . 1 . . . . . 116 LYS HB2 . 17254 1 1400 . 1 1 116 116 LYS HB3 H 1 1.688 0.012 . 1 . . . . . 116 LYS HB3 . 17254 1 1401 . 1 1 116 116 LYS HG2 H 1 1.374 0.005 . 1 . . . . . 116 LYS QG . 17254 1 1402 . 1 1 116 116 LYS HG3 H 1 1.374 0.005 . 1 . . . . . 116 LYS QG . 17254 1 1403 . 1 1 116 116 LYS HD2 H 1 1.616 0.004 . 1 . . . . . 116 LYS QD . 17254 1 1404 . 1 1 116 116 LYS HD3 H 1 1.616 0.004 . 1 . . . . . 116 LYS QD . 17254 1 1405 . 1 1 116 116 LYS HE2 H 1 2.926 0.014 . 1 . . . . . 116 LYS QE . 17254 1 1406 . 1 1 116 116 LYS HE3 H 1 2.926 0.014 . 1 . . . . . 116 LYS QE . 17254 1 1407 . 1 1 116 116 LYS C C 13 176.281 0.000 . 1 . . . . . 116 LYS C . 17254 1 1408 . 1 1 116 116 LYS CA C 13 56.326 0.109 . 1 . . . . . 116 LYS CA . 17254 1 1409 . 1 1 116 116 LYS CB C 13 33.063 0.079 . 1 . . . . . 116 LYS CB . 17254 1 1410 . 1 1 116 116 LYS CG C 13 24.705 0.054 . 1 . . . . . 116 LYS CG . 17254 1 1411 . 1 1 116 116 LYS CD C 13 29.179 0.242 . 1 . . . . . 116 LYS CD . 17254 1 1412 . 1 1 116 116 LYS CE C 13 42.599 0.000 . 1 . . . . . 116 LYS CE . 17254 1 1413 . 1 1 116 116 LYS N N 15 122.711 0.170 . 1 . . . . . 116 LYS N . 17254 1 1414 . 1 1 117 117 ALA H H 1 8.237 0.015 . 1 . . . . . 117 ALA HN . 17254 1 1415 . 1 1 117 117 ALA HA H 1 4.263 0.008 . 1 . . . . . 117 ALA HA . 17254 1 1416 . 1 1 117 117 ALA HB1 H 1 1.313 0.011 . 1 . . . . . 117 ALA QB . 17254 1 1417 . 1 1 117 117 ALA HB2 H 1 1.313 0.011 . 1 . . . . . 117 ALA QB . 17254 1 1418 . 1 1 117 117 ALA HB3 H 1 1.313 0.011 . 1 . . . . . 117 ALA QB . 17254 1 1419 . 1 1 117 117 ALA C C 13 177.840 0.000 . 1 . . . . . 117 ALA C . 17254 1 1420 . 1 1 117 117 ALA CA C 13 52.548 0.094 . 1 . . . . . 117 ALA CA . 17254 1 1421 . 1 1 117 117 ALA CB C 13 19.121 0.095 . 1 . . . . . 117 ALA CB . 17254 1 1422 . 1 1 117 117 ALA N N 15 125.141 0.267 . 1 . . . . . 117 ALA N . 17254 1 1423 . 1 1 118 118 VAL H H 1 8.052 0.009 . 1 . . . . . 118 VAL HN . 17254 1 1424 . 1 1 118 118 VAL HA H 1 3.992 0.007 . 1 . . . . . 118 VAL HA . 17254 1 1425 . 1 1 118 118 VAL HB H 1 1.998 0.006 . 1 . . . . . 118 VAL HB . 17254 1 1426 . 1 1 118 118 VAL HG11 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1427 . 1 1 118 118 VAL HG12 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1428 . 1 1 118 118 VAL HG13 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1429 . 1 1 118 118 VAL HG21 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1430 . 1 1 118 118 VAL HG22 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1431 . 1 1 118 118 VAL HG23 H 1 0.864 0.011 . 1 . . . . . 118 VAL QQG . 17254 1 1432 . 1 1 118 118 VAL C C 13 175.808 0.000 . 1 . . . . . 118 VAL C . 17254 1 1433 . 1 1 118 118 VAL CA C 13 62.454 0.093 . 1 . . . . . 118 VAL CA . 17254 1 1434 . 1 1 118 118 VAL CB C 13 32.845 0.114 . 1 . . . . . 118 VAL CB . 17254 1 1435 . 1 1 118 118 VAL CG1 C 13 20.981 0.202 . 2 . . . . . 118 VAL CG1 . 17254 1 1436 . 1 1 118 118 VAL N N 15 119.587 0.072 . 1 . . . . . 118 VAL N . 17254 1 1437 . 1 1 119 119 GLN H H 1 8.358 0.011 . 1 . . . . . 119 GLN HN . 17254 1 1438 . 1 1 119 119 GLN HA H 1 4.257 0.009 . 1 . . . . . 119 GLN HA . 17254 1 1439 . 1 1 119 119 GLN HB2 H 1 2.035 0.004 . 2 . . . . . 119 GLN HB2 . 17254 1 1440 . 1 1 119 119 GLN HB3 H 1 1.967 0.014 . 2 . . . . . 119 GLN HB3 . 17254 1 1441 . 1 1 119 119 GLN HG2 H 1 2.303 0.009 . 2 . . . . . 119 GLN QG . 17254 1 1442 . 1 1 119 119 GLN HG3 H 1 2.303 0.009 . 2 . . . . . 119 GLN QG . 17254 1 1443 . 1 1 119 119 GLN HE21 H 1 7.468 0.005 . 2 . . . . . 119 GLN HE21 . 17254 1 1444 . 1 1 119 119 GLN HE22 H 1 6.811 0.010 . 2 . . . . . 119 GLN HE22 . 17254 1 1445 . 1 1 119 119 GLN C C 13 174.405 0.000 . 1 . . . . . 119 GLN C . 17254 1 1446 . 1 1 119 119 GLN CA C 13 56.019 0.153 . 1 . . . . . 119 GLN CA . 17254 1 1447 . 1 1 119 119 GLN CB C 13 29.360 0.129 . 1 . . . . . 119 GLN CB . 17254 1 1448 . 1 1 119 119 GLN CG C 13 33.792 0.182 . 1 . . . . . 119 GLN CG . 17254 1 1449 . 1 1 119 119 GLN CD C 13 180.410 0.008 . 1 . . . . . 119 GLN CD . 17254 1 1450 . 1 1 119 119 GLN N N 15 124.129 0.348 . 1 . . . . . 119 GLN N . 17254 1 1451 . 1 1 119 119 GLN NE2 N 15 112.419 0.107 . 1 . . . . . 119 GLN NE2 . 17254 1 1452 . 1 1 120 120 GLN H H 1 8.422 0.010 . 1 . . . . . 120 GLN HN . 17254 1 1453 . 1 1 120 120 GLN HA H 1 4.262 0.012 . 1 . . . . . 120 GLN HA . 17254 1 1454 . 1 1 120 120 GLN HB2 H 1 2.032 0.016 . 2 . . . . . 120 GLN HB2 . 17254 1 1455 . 1 1 120 120 GLN HB3 H 1 1.977 0.014 . 2 . . . . . 120 GLN HB3 . 17254 1 1456 . 1 1 120 120 GLN HG2 H 1 2.329 0.010 . 2 . . . . . 120 GLN QG . 17254 1 1457 . 1 1 120 120 GLN HG3 H 1 2.329 0.010 . 2 . . . . . 120 GLN QG . 17254 1 1458 . 1 1 120 120 GLN HE21 H 1 7.458 0.000 . 2 . . . . . 120 GLN HE21 . 17254 1 1459 . 1 1 120 120 GLN HE22 H 1 6.778 0.000 . 2 . . . . . 120 GLN HE22 . 17254 1 1460 . 1 1 120 120 GLN C C 13 175.928 0.000 . 1 . . . . . 120 GLN C . 17254 1 1461 . 1 1 120 120 GLN CA C 13 56.204 0.112 . 1 . . . . . 120 GLN CA . 17254 1 1462 . 1 1 120 120 GLN CB C 13 29.475 0.105 . 1 . . . . . 120 GLN CB . 17254 1 1463 . 1 1 120 120 GLN CG C 13 33.779 0.000 . 1 . . . . . 120 GLN CG . 17254 1 1464 . 1 1 120 120 GLN CD C 13 180.187 0.030 . 1 . . . . . 120 GLN CD . 17254 1 1465 . 1 1 120 120 GLN N N 15 122.016 0.137 . 1 . . . . . 120 GLN N . 17254 1 1466 . 1 1 120 120 GLN NE2 N 15 112.351 0.173 . 1 . . . . . 120 GLN NE2 . 17254 1 1467 . 1 1 121 121 SER H H 1 8.322 0.015 . 1 . . . . . 121 SER HN . 17254 1 1468 . 1 1 121 121 SER HA H 1 4.366 0.013 . 1 . . . . . 121 SER HA . 17254 1 1469 . 1 1 121 121 SER HB2 H 1 3.820 0.012 . 2 . . . . . 121 SER QB . 17254 1 1470 . 1 1 121 121 SER HB3 H 1 3.820 0.012 . 2 . . . . . 121 SER QB . 17254 1 1471 . 1 1 121 121 SER C C 13 177.038 0.000 . 1 . . . . . 121 SER C . 17254 1 1472 . 1 1 121 121 SER CA C 13 58.585 0.084 . 1 . . . . . 121 SER CA . 17254 1 1473 . 1 1 121 121 SER CB C 13 63.750 0.049 . 1 . . . . . 121 SER CB . 17254 1 1474 . 1 1 121 121 SER N N 15 116.821 0.110 . 1 . . . . . 121 SER N . 17254 1 1475 . 1 1 122 122 MET H H 1 8.314 0.005 . 1 . . . . . 122 MET HN . 17254 1 1476 . 1 1 122 122 MET HA H 1 4.459 0.011 . 1 . . . . . 122 MET HA . 17254 1 1477 . 1 1 122 122 MET HB2 H 1 2.075 0.009 . 2 . . . . . 122 MET HB2 . 17254 1 1478 . 1 1 122 122 MET HB3 H 1 1.977 0.018 . 2 . . . . . 122 MET HB3 . 17254 1 1479 . 1 1 122 122 MET HG2 H 1 2.557 0.003 . 2 . . . . . 122 MET HG2 . 17254 1 1480 . 1 1 122 122 MET HG3 H 1 2.499 0.020 . 2 . . . . . 122 MET HG3 . 17254 1 1481 . 1 1 122 122 MET HE1 H 1 2.040 0.000 . 1 . . . . . 122 MET QE . 17254 1 1482 . 1 1 122 122 MET HE2 H 1 2.040 0.000 . 1 . . . . . 122 MET QE . 17254 1 1483 . 1 1 122 122 MET HE3 H 1 2.040 0.000 . 1 . . . . . 122 MET QE . 17254 1 1484 . 1 1 122 122 MET C C 13 175.929 0.000 . 1 . . . . . 122 MET C . 17254 1 1485 . 1 1 122 122 MET CA C 13 55.661 0.080 . 1 . . . . . 122 MET CA . 17254 1 1486 . 1 1 122 122 MET CB C 13 32.817 0.039 . 1 . . . . . 122 MET CB . 17254 1 1487 . 1 1 122 122 MET CE C 13 16.856 0.000 . 1 . . . . . 122 MET CE . 17254 1 1488 . 1 1 122 122 MET N N 15 122.031 0.080 . 1 . . . . . 122 MET N . 17254 1 1489 . 1 1 123 123 LEU H H 1 8.128 0.013 . 1 . . . . . 123 LEU HN . 17254 1 1490 . 1 1 123 123 LEU HA H 1 4.357 0.006 . 1 . . . . . 123 LEU HA . 17254 1 1491 . 1 1 123 123 LEU HB2 H 1 1.586 0.018 . 2 . . . . . 123 LEU QB . 17254 1 1492 . 1 1 123 123 LEU HB3 H 1 1.586 0.018 . 2 . . . . . 123 LEU QB . 17254 1 1493 . 1 1 123 123 LEU HD11 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1494 . 1 1 123 123 LEU HD12 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1495 . 1 1 123 123 LEU HD13 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1496 . 1 1 123 123 LEU HD21 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1497 . 1 1 123 123 LEU HD22 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1498 . 1 1 123 123 LEU HD23 H 1 0.838 0.037 . 1 . . . . . 123 LEU QQD . 17254 1 1499 . 1 1 123 123 LEU C C 13 176.122 0.297 . 1 . . . . . 123 LEU C . 17254 1 1500 . 1 1 123 123 LEU CA C 13 55.438 0.301 . 1 . . . . . 123 LEU CA . 17254 1 1501 . 1 1 123 123 LEU CB C 13 42.249 0.241 . 1 . . . . . 123 LEU CB . 17254 1 1502 . 1 1 123 123 LEU N N 15 123.409 0.248 . 1 . . . . . 123 LEU N . 17254 1 1503 . 1 1 124 124 SER H H 1 7.801 0.010 . 1 . . . . . 124 SER HN . 17254 1 1504 . 1 1 124 124 SER HA H 1 4.192 0.009 . 1 . . . . . 124 SER HA . 17254 1 1505 . 1 1 124 124 SER HB2 H 1 3.774 0.007 . 2 . . . . . 124 SER QB . 17254 1 1506 . 1 1 124 124 SER HB3 H 1 3.774 0.007 . 2 . . . . . 124 SER QB . 17254 1 1507 . 1 1 124 124 SER C C 13 178.548 0.000 . 1 . . . . . 124 SER C . 17254 1 1508 . 1 1 124 124 SER CA C 13 59.900 0.053 . 1 . . . . . 124 SER CA . 17254 1 1509 . 1 1 124 124 SER CB C 13 64.869 0.162 . 1 . . . . . 124 SER CB . 17254 1 1510 . 1 1 124 124 SER N N 15 122.045 0.151 . 1 . . . . . 124 SER N . 17254 1 stop_ save_