data_18317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18317 _Entry.Title ; Chemical shift assignments of the canecystatin-1 from Saccharum officinarum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-07 _Entry.Accession_date 2012-03-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Canecystatin-1 is a cysteine protease inhibitor' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Italo Cavini . A. . 18317 2 Rodrigo Silva . O. . 18317 3 Ivo Marques . A. . 18317 4 Hans Kalbitzer . R. . 18317 5 Claudia Munte . E. . 18317 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Group of Molecular Biophysics Sergio Mascarenhas, Physics Institute of Sao Carlos, University of Sao Paulo' . 18317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 18317 '15N chemical shifts' 116 18317 '1H chemical shifts' 702 18317 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 . . 2014-02-24 2012-03-07 update BMRB 'update entry citation' 18317 1 . . 2012-06-18 2012-03-07 original author 'original release' 18317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17258 'pineapple phytocystatin' 18317 PDB 1EQK 'rice phytocystatin' 18317 PDB 2L4V 'pineapple phytocystatin' 18317 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22696137 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments of the canecystatin-1 from Saccharum officinarum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 163 _Citation.Page_last 165 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Italo Augusto' Cavini . . . 18317 1 2 Rodrigo 'de Oliveira-Silva' . . . 18317 1 3 Ivo 'de Almeida Marques' . . . 18317 1 4 'Hans Robert' Kalbitzer . . . 18317 1 5 'Claudia Elisabeth' Munte . . . 18317 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical shift index' 18317 1 'Cysteine protease inhibitor' 18317 1 Phytocystatin 18317 1 'Saccharum officinarum cystatin' 18317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18317 _Assembly.ID 1 _Assembly.Name 'sugarcane cystatin' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'sugarcane cystatin' 1 $sugarcane_cystatin A . yes native no no . . . 18317 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3UL5 . . X-ray 2.3 . . 18317 1 yes PDB 3UL6 . . X-ray 2.63 . . 18317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sugarcane_cystatin _Entity.Sf_category entity _Entity.Sf_framecode sugarcane_cystatin _Entity.Entry_ID 18317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sugarcane_cystatin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAEADNGRRVGMVGDVRDAP AGHENDLEAIELARFAVAEH NSKTNAMLEFERLVKVRHQV VAGTMHHFTVQVKEAGGGKK LYEAKVWEKVWENFKQLQSF QPVGDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '[LVI]-[AGT]-[RKE]-[FY]-[AS]-[VI]-X-[EDQV]-[HYFQ]-N is a conserved amino acid sequence in phytocystatins' _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 106 _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 11900 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AAM78598.1 . "cystatin [Saccharum officinarum]" . . . . . . . . . . . . . . 18317 1 2 no BMRB 18839 . sugarcane_canecystatin . . . . . 100.00 109 100.00 100.00 4.34e-70 . . . . 18317 1 3 no PDB 3UL5 . "Saccharum Officinarum Canecystatin-1 In Space Group C2221" . . . . . 100.00 139 99.06 99.06 5.51e-69 . . . . 18317 1 4 no PDB 3UL6 . "Saccharum Officinarum Canecystatin-1 In Space Group P6422" . . . . . 100.00 139 99.06 99.06 5.51e-69 . . . . 18317 1 5 no DBJ BAO79365 . "cysteine proteinase inhibitor [Saccharum officinarum]" . . . . . 100.00 109 99.06 99.06 3.64e-69 . . . . 18317 1 6 no GB AAM78598 . "cystatin, partial [Saccharum officinarum]" . . . . . 100.00 106 99.06 99.06 5.36e-69 . . . . 18317 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cysteine protease inhibitor' 18317 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 . 18317 1 2 . ALA . 18317 1 3 . GLU . 18317 1 4 . ALA . 18317 1 5 . ASP . 18317 1 6 . ASN . 18317 1 7 . GLY . 18317 1 8 . ARG . 18317 1 9 . ARG . 18317 1 10 . VAL . 18317 1 11 . GLY . 18317 1 12 . MET . 18317 1 13 . VAL . 18317 1 14 . GLY . 18317 1 15 . ASP . 18317 1 16 . VAL . 18317 1 17 . ARG . 18317 1 18 . ASP . 18317 1 19 . ALA . 18317 1 20 . PRO . 18317 1 21 . ALA . 18317 1 22 . GLY . 18317 1 23 . HIS . 18317 1 24 . GLU . 18317 1 25 . ASN . 18317 1 26 . ASP . 18317 1 27 . LEU . 18317 1 28 . GLU . 18317 1 29 . ALA . 18317 1 30 . ILE . 18317 1 31 . GLU . 18317 1 32 . LEU . 18317 1 33 . ALA . 18317 1 34 . ARG . 18317 1 35 . PHE . 18317 1 36 . ALA . 18317 1 37 . VAL . 18317 1 38 . ALA . 18317 1 39 . GLU . 18317 1 40 . HIS . 18317 1 41 . ASN . 18317 1 42 . SER . 18317 1 43 . LYS . 18317 1 44 . THR . 18317 1 45 . ASN . 18317 1 46 . ALA . 18317 1 47 . MET . 18317 1 48 . LEU . 18317 1 49 . GLU . 18317 1 50 . PHE . 18317 1 51 . GLU . 18317 1 52 . ARG . 18317 1 53 . LEU . 18317 1 54 . VAL . 18317 1 55 . LYS . 18317 1 56 . VAL . 18317 1 57 . ARG . 18317 1 58 . HIS . 18317 1 59 . GLN . 18317 1 60 . VAL . 18317 1 61 . VAL . 18317 1 62 . ALA . 18317 1 63 . GLY . 18317 1 64 . THR . 18317 1 65 . MET . 18317 1 66 . HIS . 18317 1 67 . HIS . 18317 1 68 . PHE . 18317 1 69 . THR . 18317 1 70 . VAL . 18317 1 71 . GLN . 18317 1 72 . VAL . 18317 1 73 . LYS . 18317 1 74 . GLU . 18317 1 75 . ALA . 18317 1 76 . GLY . 18317 1 77 . GLY . 18317 1 78 . GLY . 18317 1 79 . LYS . 18317 1 80 . LYS . 18317 1 81 . LEU . 18317 1 82 . TYR . 18317 1 83 . GLU . 18317 1 84 . ALA . 18317 1 85 . LYS . 18317 1 86 . VAL . 18317 1 87 . TRP . 18317 1 88 . GLU . 18317 1 89 . LYS . 18317 1 90 . VAL . 18317 1 91 . TRP . 18317 1 92 . GLU . 18317 1 93 . ASN . 18317 1 94 . PHE . 18317 1 95 . LYS . 18317 1 96 . GLN . 18317 1 97 . LEU . 18317 1 98 . GLN . 18317 1 99 . SER . 18317 1 100 . PHE . 18317 1 101 . GLN . 18317 1 102 . PRO . 18317 1 103 . VAL . 18317 1 104 . GLY . 18317 1 105 . ASP . 18317 1 106 . ALA . 18317 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 18317 1 . ALA 2 2 18317 1 . GLU 3 3 18317 1 . ALA 4 4 18317 1 . ASP 5 5 18317 1 . ASN 6 6 18317 1 . GLY 7 7 18317 1 . ARG 8 8 18317 1 . ARG 9 9 18317 1 . VAL 10 10 18317 1 . GLY 11 11 18317 1 . MET 12 12 18317 1 . VAL 13 13 18317 1 . GLY 14 14 18317 1 . ASP 15 15 18317 1 . VAL 16 16 18317 1 . ARG 17 17 18317 1 . ASP 18 18 18317 1 . ALA 19 19 18317 1 . PRO 20 20 18317 1 . ALA 21 21 18317 1 . GLY 22 22 18317 1 . HIS 23 23 18317 1 . GLU 24 24 18317 1 . ASN 25 25 18317 1 . ASP 26 26 18317 1 . LEU 27 27 18317 1 . GLU 28 28 18317 1 . ALA 29 29 18317 1 . ILE 30 30 18317 1 . GLU 31 31 18317 1 . LEU 32 32 18317 1 . ALA 33 33 18317 1 . ARG 34 34 18317 1 . PHE 35 35 18317 1 . ALA 36 36 18317 1 . VAL 37 37 18317 1 . ALA 38 38 18317 1 . GLU 39 39 18317 1 . HIS 40 40 18317 1 . ASN 41 41 18317 1 . SER 42 42 18317 1 . LYS 43 43 18317 1 . THR 44 44 18317 1 . ASN 45 45 18317 1 . ALA 46 46 18317 1 . MET 47 47 18317 1 . LEU 48 48 18317 1 . GLU 49 49 18317 1 . PHE 50 50 18317 1 . GLU 51 51 18317 1 . ARG 52 52 18317 1 . LEU 53 53 18317 1 . VAL 54 54 18317 1 . LYS 55 55 18317 1 . VAL 56 56 18317 1 . ARG 57 57 18317 1 . HIS 58 58 18317 1 . GLN 59 59 18317 1 . VAL 60 60 18317 1 . VAL 61 61 18317 1 . ALA 62 62 18317 1 . GLY 63 63 18317 1 . THR 64 64 18317 1 . MET 65 65 18317 1 . HIS 66 66 18317 1 . HIS 67 67 18317 1 . PHE 68 68 18317 1 . THR 69 69 18317 1 . VAL 70 70 18317 1 . GLN 71 71 18317 1 . VAL 72 72 18317 1 . LYS 73 73 18317 1 . GLU 74 74 18317 1 . ALA 75 75 18317 1 . GLY 76 76 18317 1 . GLY 77 77 18317 1 . GLY 78 78 18317 1 . LYS 79 79 18317 1 . LYS 80 80 18317 1 . LEU 81 81 18317 1 . TYR 82 82 18317 1 . GLU 83 83 18317 1 . ALA 84 84 18317 1 . LYS 85 85 18317 1 . VAL 86 86 18317 1 . TRP 87 87 18317 1 . GLU 88 88 18317 1 . LYS 89 89 18317 1 . VAL 90 90 18317 1 . TRP 91 91 18317 1 . GLU 92 92 18317 1 . ASN 93 93 18317 1 . PHE 94 94 18317 1 . LYS 95 95 18317 1 . GLN 96 96 18317 1 . LEU 97 97 18317 1 . GLN 98 98 18317 1 . SER 99 99 18317 1 . PHE 100 100 18317 1 . GLN 101 101 18317 1 . PRO 102 102 18317 1 . VAL 103 103 18317 1 . GLY 104 104 18317 1 . ASP 105 105 18317 1 . ALA 106 106 18317 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 18317 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $sugarcane_cystatin . 4547 organism . 'Saccharum officinarum' Sugarcane . . Eukaryota Viridiplantae Saccharum officinarum . . . . . . . . . . . . . . . . . . . . . 18317 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 18317 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $sugarcane_cystatin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28a . . . . . . 18317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sugarcane cystatin' [U-15N] . . 1 $sugarcane_cystatin . . 1 . . mM . . . . 18317 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18317 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18317 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18317 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18317 1 6 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18317 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18317 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sugarcane cystatin' '[U-13C; U-15N]' . . 1 $sugarcane_cystatin . . 1 . . mM . . . . 18317 2 2 D2O 'natural abundance' . . . . . . 99.95 . . % . . . . 18317 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18317 2 4 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18317 2 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18317 2 6 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18317 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18317 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sugarcane cystatin' 'natural abundance' . . 1 $sugarcane_cystatin . . 1 . . mM . . . . 18317 3 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18317 3 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18317 3 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18317 3 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18317 3 6 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18317 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18317 _Sample.ID 4 _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 'sugarcane cystatin' [U-15N] . . 1 $sugarcane_cystatin . . 0.4 . . mM . . . . 18317 4 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18317 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18317 4 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18317 4 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18317 4 6 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 18317 4 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 18317 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 18317 1 pressure 1 . atm 18317 1 temperature 303 . K 18317 1 stop_ save_ ############################ # Computer software used # ############################ save_Auremol _Software.Sf_category software _Software.Sf_framecode Auremol _Software.Entry_ID 18317 _Software.ID 1 _Software.Name AUREMOL _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18317 1 'data analysis' 18317 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18317 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18317 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18317 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18317 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18317 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18317 1 2 spectrometer_2 Bruker Avance . 800 . . . 18317 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 18317 _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-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18317 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18317 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 18317 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18317 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18317 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18317 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 18317 1 3 '3D HNCA' . . . 18317 1 4 '3D HNCO' . . . 18317 1 5 '2D 1H-15N HSQC' . . . 18317 1 6 '3D CBCA(CO)NH' . . . 18317 1 7 '2D 1H-13C HSQC' . . . 18317 1 8 '3D HCCH-TOCSY' . . . 18317 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.41 0.02 . 1 . . . . 1 MET H . 18317 1 2 . 1 1 1 1 MET HA H 1 4.47 0.02 . 1 . . . . 1 MET HA . 18317 1 3 . 1 1 1 1 MET HB2 H 1 2.03 0.02 . 1 . . . . 1 MET HB2 . 18317 1 4 . 1 1 1 1 MET HB3 H 1 2.13 0.02 . 1 . . . . 1 MET HB3 . 18317 1 5 . 1 1 1 1 MET HG2 H 1 2.18 0.02 . 1 . . . . 1 MET HG2 . 18317 1 6 . 1 1 1 1 MET HG3 H 1 2.35 0.02 . 1 . . . . 1 MET HG3 . 18317 1 7 . 1 1 1 1 MET C C 13 175.77 0.05 . 1 . . . . 1 MET C . 18317 1 8 . 1 1 1 1 MET CA C 13 55.45 0.05 . 1 . . . . 1 MET CA . 18317 1 9 . 1 1 1 1 MET CB C 13 32.95 0.05 . 1 . . . . 1 MET CB . 18317 1 10 . 1 1 1 1 MET CG C 13 31.97 0.05 . 1 . . . . 1 MET CG . 18317 1 11 . 1 1 1 1 MET N N 15 122.2 0.1 . 1 . . . . 1 MET N . 18317 1 12 . 1 1 2 2 ALA H H 1 8.38 0.02 . 1 . . . . 2 ALA H . 18317 1 13 . 1 1 2 2 ALA HA H 1 4.40 0.02 . 1 . . . . 2 ALA HA . 18317 1 14 . 1 1 2 2 ALA HB1 H 1 1.46 0.02 . 1 . . . . 2 ALA HB . 18317 1 15 . 1 1 2 2 ALA HB2 H 1 1.46 0.02 . 1 . . . . 2 ALA HB . 18317 1 16 . 1 1 2 2 ALA HB3 H 1 1.46 0.02 . 1 . . . . 2 ALA HB . 18317 1 17 . 1 1 2 2 ALA C C 13 177.81 0.05 . 1 . . . . 2 ALA C . 18317 1 18 . 1 1 2 2 ALA CA C 13 52.76 0.05 . 1 . . . . 2 ALA CA . 18317 1 19 . 1 1 2 2 ALA CB C 13 19.16 0.05 . 1 . . . . 2 ALA CB . 18317 1 20 . 1 1 2 2 ALA N N 15 125.1 0.1 . 1 . . . . 2 ALA N . 18317 1 21 . 1 1 3 3 GLU H H 1 8.48 0.02 . 1 . . . . 3 GLU H . 18317 1 22 . 1 1 3 3 GLU HA H 1 4.33 0.02 . 1 . . . . 3 GLU HA . 18317 1 23 . 1 1 3 3 GLU HB2 H 1 2.05 0.02 . 1 . . . . 3 GLU HB2 . 18317 1 24 . 1 1 3 3 GLU HB3 H 1 2.17 0.02 . 1 . . . . 3 GLU HB3 . 18317 1 25 . 1 1 3 3 GLU HG2 H 1 2.39 0.02 . 2 . . . . 3 GLU HG2 . 18317 1 26 . 1 1 3 3 GLU HG3 H 1 2.39 0.02 . 2 . . . . 3 GLU HG3 . 18317 1 27 . 1 1 3 3 GLU C C 13 176.64 0.05 . 1 . . . . 3 GLU C . 18317 1 28 . 1 1 3 3 GLU CA C 13 56.83 0.05 . 1 . . . . 3 GLU CA . 18317 1 29 . 1 1 3 3 GLU CB C 13 30.35 0.05 . 1 . . . . 3 GLU CB . 18317 1 30 . 1 1 3 3 GLU CG C 13 36.27 0.05 . 1 . . . . 3 GLU CG . 18317 1 31 . 1 1 3 3 GLU N N 15 120.2 0.1 . 1 . . . . 3 GLU N . 18317 1 32 . 1 1 4 4 ALA H H 1 8.35 0.02 . 1 . . . . 4 ALA H . 18317 1 33 . 1 1 4 4 ALA HA H 1 4.38 0.02 . 1 . . . . 4 ALA HA . 18317 1 34 . 1 1 4 4 ALA HB1 H 1 1.50 0.02 . 1 . . . . 4 ALA HB . 18317 1 35 . 1 1 4 4 ALA HB2 H 1 1.50 0.02 . 1 . . . . 4 ALA HB . 18317 1 36 . 1 1 4 4 ALA HB3 H 1 1.50 0.02 . 1 . . . . 4 ALA HB . 18317 1 37 . 1 1 4 4 ALA C C 13 177.65 0.05 . 1 . . . . 4 ALA C . 18317 1 38 . 1 1 4 4 ALA CA C 13 52.80 0.05 . 1 . . . . 4 ALA CA . 18317 1 39 . 1 1 4 4 ALA CB C 13 19.37 0.05 . 1 . . . . 4 ALA CB . 18317 1 40 . 1 1 4 4 ALA N N 15 124.4 0.1 . 1 . . . . 4 ALA N . 18317 1 41 . 1 1 5 5 ASP H H 1 8.34 0.02 . 1 . . . . 5 ASP H . 18317 1 42 . 1 1 5 5 ASP HA H 1 4.68 0.02 . 1 . . . . 5 ASP HA . 18317 1 43 . 1 1 5 5 ASP HB2 H 1 2.75 0.02 . 1 . . . . 5 ASP HB2 . 18317 1 44 . 1 1 5 5 ASP HB3 H 1 2.84 0.02 . 1 . . . . 5 ASP HB3 . 18317 1 45 . 1 1 5 5 ASP C C 13 176.54 0.05 . 1 . . . . 5 ASP C . 18317 1 46 . 1 1 5 5 ASP CA C 13 54.51 0.05 . 1 . . . . 5 ASP CA . 18317 1 47 . 1 1 5 5 ASP CB C 13 41.30 0.05 . 1 . . . . 5 ASP CB . 18317 1 48 . 1 1 5 5 ASP N N 15 119.4 0.1 . 1 . . . . 5 ASP N . 18317 1 49 . 1 1 6 6 ASN H H 1 8.44 0.02 . 1 . . . . 6 ASN H . 18317 1 50 . 1 1 6 6 ASN HA H 1 4.75 0.02 . 1 . . . . 6 ASN HA . 18317 1 51 . 1 1 6 6 ASN HB2 H 1 2.95 0.02 . 2 . . . . 6 ASN HB2 . 18317 1 52 . 1 1 6 6 ASN HB3 H 1 2.95 0.02 . 2 . . . . 6 ASN HB3 . 18317 1 53 . 1 1 6 6 ASN HD21 H 1 7.69 0.02 . 1 . . . . 6 ASN HD21 . 18317 1 54 . 1 1 6 6 ASN HD22 H 1 6.99 0.02 . 1 . . . . 6 ASN HD22 . 18317 1 55 . 1 1 6 6 ASN C C 13 176.24 0.05 . 1 . . . . 6 ASN C . 18317 1 56 . 1 1 6 6 ASN CA C 13 53.77 0.05 . 1 . . . . 6 ASN CA . 18317 1 57 . 1 1 6 6 ASN CB C 13 38.76 0.05 . 1 . . . . 6 ASN CB . 18317 1 58 . 1 1 6 6 ASN N N 15 119.7 0.1 . 1 . . . . 6 ASN N . 18317 1 59 . 1 1 6 6 ASN ND2 N 15 112.6 0.1 . 1 . . . . 6 ASN ND2 . 18317 1 60 . 1 1 7 7 GLY H H 1 8.56 0.02 . 1 . . . . 7 GLY H . 18317 1 61 . 1 1 7 7 GLY HA2 H 1 4.04 0.02 . 2 . . . . 7 GLY HA2 . 18317 1 62 . 1 1 7 7 GLY HA3 H 1 4.04 0.02 . 2 . . . . 7 GLY HA3 . 18317 1 63 . 1 1 7 7 GLY C C 13 174.52 0.05 . 1 . . . . 7 GLY C . 18317 1 64 . 1 1 7 7 GLY CA C 13 45.87 0.05 . 1 . . . . 7 GLY CA . 18317 1 65 . 1 1 7 7 GLY N N 15 108.7 0.1 . 1 . . . . 7 GLY N . 18317 1 66 . 1 1 8 8 ARG H H 1 8.07 0.02 . 1 . . . . 8 ARG H . 18317 1 67 . 1 1 8 8 ARG HA H 1 4.41 0.02 . 1 . . . . 8 ARG HA . 18317 1 68 . 1 1 8 8 ARG HB2 H 1 1.88 0.02 . 1 . . . . 8 ARG HB2 . 18317 1 69 . 1 1 8 8 ARG HB3 H 1 1.95 0.02 . 1 . . . . 8 ARG HB3 . 18317 1 70 . 1 1 8 8 ARG HG2 H 1 1.68 0.02 . 1 . . . . 8 ARG HG2 . 18317 1 71 . 1 1 8 8 ARG HG3 H 1 1.72 0.02 . 1 . . . . 8 ARG HG3 . 18317 1 72 . 1 1 8 8 ARG HD2 H 1 3.28 0.02 . 2 . . . . 8 ARG HD2 . 18317 1 73 . 1 1 8 8 ARG HD3 H 1 3.28 0.02 . 2 . . . . 8 ARG HD3 . 18317 1 74 . 1 1 8 8 ARG C C 13 176.42 0.05 . 1 . . . . 8 ARG C . 18317 1 75 . 1 1 8 8 ARG CA C 13 56.41 0.05 . 1 . . . . 8 ARG CA . 18317 1 76 . 1 1 8 8 ARG CB C 13 30.80 0.05 . 1 . . . . 8 ARG CB . 18317 1 77 . 1 1 8 8 ARG CG C 13 27.27 0.05 . 1 . . . . 8 ARG CG . 18317 1 78 . 1 1 8 8 ARG N N 15 120.3 0.1 . 1 . . . . 8 ARG N . 18317 1 79 . 1 1 9 9 ARG H H 1 8.40 0.02 . 1 . . . . 9 ARG H . 18317 1 80 . 1 1 9 9 ARG HA H 1 4.47 0.02 . 1 . . . . 9 ARG HA . 18317 1 81 . 1 1 9 9 ARG HB2 H 1 1.88 0.02 . 1 . . . . 9 ARG HB2 . 18317 1 82 . 1 1 9 9 ARG HB3 H 1 1.95 0.02 . 1 . . . . 9 ARG HB3 . 18317 1 83 . 1 1 9 9 ARG HG2 H 1 1.69 0.02 . 1 . . . . 9 ARG HG2 . 18317 1 84 . 1 1 9 9 ARG HG3 H 1 1.74 0.02 . 1 . . . . 9 ARG HG3 . 18317 1 85 . 1 1 9 9 ARG HD2 H 1 3.29 0.02 . 2 . . . . 9 ARG HD2 . 18317 1 86 . 1 1 9 9 ARG HD3 H 1 3.29 0.02 . 2 . . . . 9 ARG HD3 . 18317 1 87 . 1 1 9 9 ARG C C 13 176.39 0.05 . 1 . . . . 9 ARG C . 18317 1 88 . 1 1 9 9 ARG CA C 13 56.22 0.05 . 1 . . . . 9 ARG CA . 18317 1 89 . 1 1 9 9 ARG CB C 13 30.82 0.05 . 1 . . . . 9 ARG CB . 18317 1 90 . 1 1 9 9 ARG CG C 13 27.27 0.05 . 1 . . . . 9 ARG CG . 18317 1 91 . 1 1 9 9 ARG N N 15 122.3 0.1 . 1 . . . . 9 ARG N . 18317 1 92 . 1 1 10 10 VAL H H 1 8.22 0.02 . 1 . . . . 10 VAL H . 18317 1 93 . 1 1 10 10 VAL HA H 1 4.20 0.02 . 1 . . . . 10 VAL HA . 18317 1 94 . 1 1 10 10 VAL HB H 1 2.16 0.02 . 1 . . . . 10 VAL HB . 18317 1 95 . 1 1 10 10 VAL HG11 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 18317 1 96 . 1 1 10 10 VAL HG12 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 18317 1 97 . 1 1 10 10 VAL HG13 H 1 1.03 0.02 . 2 . . . . 10 VAL HG1 . 18317 1 98 . 1 1 10 10 VAL HG21 H 1 1.03 0.02 . 2 . . . . 10 VAL HG2 . 18317 1 99 . 1 1 10 10 VAL HG22 H 1 1.03 0.02 . 2 . . . . 10 VAL HG2 . 18317 1 100 . 1 1 10 10 VAL HG23 H 1 1.03 0.02 . 2 . . . . 10 VAL HG2 . 18317 1 101 . 1 1 10 10 VAL C C 13 176.67 0.05 . 1 . . . . 10 VAL C . 18317 1 102 . 1 1 10 10 VAL CA C 13 62.62 0.05 . 1 . . . . 10 VAL CA . 18317 1 103 . 1 1 10 10 VAL CB C 13 32.83 0.05 . 1 . . . . 10 VAL CB . 18317 1 104 . 1 1 10 10 VAL CG1 C 13 20.94 0.05 . 2 . . . . 10 VAL CG1 . 18317 1 105 . 1 1 10 10 VAL CG2 C 13 20.94 0.05 . 2 . . . . 10 VAL CG2 . 18317 1 106 . 1 1 10 10 VAL N N 15 121.2 0.1 . 1 . . . . 10 VAL N . 18317 1 107 . 1 1 11 11 GLY H H 1 8.57 0.02 . 1 . . . . 11 GLY H . 18317 1 108 . 1 1 11 11 GLY HA2 H 1 4.04 0.02 . 2 . . . . 11 GLY HA2 . 18317 1 109 . 1 1 11 11 GLY HA3 H 1 4.04 0.02 . 2 . . . . 11 GLY HA3 . 18317 1 110 . 1 1 11 11 GLY C C 13 174.11 0.05 . 1 . . . . 11 GLY C . 18317 1 111 . 1 1 11 11 GLY CA C 13 45.36 0.05 . 1 . . . . 11 GLY CA . 18317 1 112 . 1 1 11 11 GLY N N 15 112.4 0.1 . 1 . . . . 11 GLY N . 18317 1 113 . 1 1 12 12 MET H H 1 8.27 0.02 . 1 . . . . 12 MET H . 18317 1 114 . 1 1 12 12 MET HA H 1 4.59 0.02 . 1 . . . . 12 MET HA . 18317 1 115 . 1 1 12 12 MET HB2 H 1 2.07 0.02 . 1 . . . . 12 MET HB2 . 18317 1 116 . 1 1 12 12 MET HB3 H 1 2.18 0.02 . 1 . . . . 12 MET HB3 . 18317 1 117 . 1 1 12 12 MET HG2 H 1 2.57 0.02 . 1 . . . . 12 MET HG2 . 18317 1 118 . 1 1 12 12 MET HG3 H 1 2.64 0.02 . 1 . . . . 12 MET HG3 . 18317 1 119 . 1 1 12 12 MET C C 13 176.44 0.05 . 1 . . . . 12 MET C . 18317 1 120 . 1 1 12 12 MET CA C 13 55.57 0.05 . 1 . . . . 12 MET CA . 18317 1 121 . 1 1 12 12 MET CB C 13 33.19 0.05 . 1 . . . . 12 MET CB . 18317 1 122 . 1 1 12 12 MET CG C 13 32.25 0.05 . 1 . . . . 12 MET CG . 18317 1 123 . 1 1 12 12 MET N N 15 120.1 0.1 . 1 . . . . 12 MET N . 18317 1 124 . 1 1 13 13 VAL H H 1 8.25 0.02 . 1 . . . . 13 VAL H . 18317 1 125 . 1 1 13 13 VAL HA H 1 4.22 0.02 . 1 . . . . 13 VAL HA . 18317 1 126 . 1 1 13 13 VAL HB H 1 2.17 0.02 . 1 . . . . 13 VAL HB . 18317 1 127 . 1 1 13 13 VAL HG11 H 1 1.03 0.02 . 2 . . . . 13 VAL HG1 . 18317 1 128 . 1 1 13 13 VAL HG12 H 1 1.03 0.02 . 2 . . . . 13 VAL HG1 . 18317 1 129 . 1 1 13 13 VAL HG13 H 1 1.03 0.02 . 2 . . . . 13 VAL HG1 . 18317 1 130 . 1 1 13 13 VAL HG21 H 1 1.03 0.02 . 2 . . . . 13 VAL HG2 . 18317 1 131 . 1 1 13 13 VAL HG22 H 1 1.03 0.02 . 2 . . . . 13 VAL HG2 . 18317 1 132 . 1 1 13 13 VAL HG23 H 1 1.03 0.02 . 2 . . . . 13 VAL HG2 . 18317 1 133 . 1 1 13 13 VAL C C 13 176.56 0.05 . 1 . . . . 13 VAL C . 18317 1 134 . 1 1 13 13 VAL CA C 13 62.67 0.05 . 1 . . . . 13 VAL CA . 18317 1 135 . 1 1 13 13 VAL CB C 13 32.75 0.05 . 1 . . . . 13 VAL CB . 18317 1 136 . 1 1 13 13 VAL CG1 C 13 20.80 0.05 . 2 . . . . 13 VAL CG1 . 18317 1 137 . 1 1 13 13 VAL CG2 C 13 20.80 0.05 . 2 . . . . 13 VAL CG2 . 18317 1 138 . 1 1 13 13 VAL N N 15 121.0 0.1 . 1 . . . . 13 VAL N . 18317 1 139 . 1 1 14 14 GLY H H 1 8.54 0.02 . 1 . . . . 14 GLY H . 18317 1 140 . 1 1 14 14 GLY C C 13 173.69 0.05 . 1 . . . . 14 GLY C . 18317 1 141 . 1 1 14 14 GLY CA C 13 45.23 0.05 . 1 . . . . 14 GLY CA . 18317 1 142 . 1 1 14 14 GLY N N 15 112.5 0.1 . 1 . . . . 14 GLY N . 18317 1 143 . 1 1 15 15 ASP H H 1 8.35 0.02 . 1 . . . . 15 ASP H . 18317 1 144 . 1 1 15 15 ASP HA H 1 4.73 0.02 . 1 . . . . 15 ASP HA . 18317 1 145 . 1 1 15 15 ASP HB2 H 1 2.68 0.02 . 1 . . . . 15 ASP HB2 . 18317 1 146 . 1 1 15 15 ASP HB3 H 1 2.80 0.02 . 1 . . . . 15 ASP HB3 . 18317 1 147 . 1 1 15 15 ASP C C 13 176.47 0.05 . 1 . . . . 15 ASP C . 18317 1 148 . 1 1 15 15 ASP CA C 13 54.28 0.05 . 1 . . . . 15 ASP CA . 18317 1 149 . 1 1 15 15 ASP CB C 13 41.45 0.05 . 1 . . . . 15 ASP CB . 18317 1 150 . 1 1 15 15 ASP N N 15 120.8 0.1 . 1 . . . . 15 ASP N . 18317 1 151 . 1 1 16 16 VAL H H 1 8.30 0.02 . 1 . . . . 16 VAL H . 18317 1 152 . 1 1 16 16 VAL HA H 1 4.13 0.02 . 1 . . . . 16 VAL HA . 18317 1 153 . 1 1 16 16 VAL HB H 1 2.00 0.02 . 1 . . . . 16 VAL HB . 18317 1 154 . 1 1 16 16 VAL HG11 H 1 0.88 0.02 . 1 . . . . 16 VAL HG1 . 18317 1 155 . 1 1 16 16 VAL HG12 H 1 0.88 0.02 . 1 . . . . 16 VAL HG1 . 18317 1 156 . 1 1 16 16 VAL HG13 H 1 0.88 0.02 . 1 . . . . 16 VAL HG1 . 18317 1 157 . 1 1 16 16 VAL HG21 H 1 0.82 0.02 . 1 . . . . 16 VAL HG2 . 18317 1 158 . 1 1 16 16 VAL HG22 H 1 0.82 0.02 . 1 . . . . 16 VAL HG2 . 18317 1 159 . 1 1 16 16 VAL HG23 H 1 0.82 0.02 . 1 . . . . 16 VAL HG2 . 18317 1 160 . 1 1 16 16 VAL C C 13 176.26 0.05 . 1 . . . . 16 VAL C . 18317 1 161 . 1 1 16 16 VAL CA C 13 62.65 0.05 . 1 . . . . 16 VAL CA . 18317 1 162 . 1 1 16 16 VAL CB C 13 32.27 0.05 . 1 . . . . 16 VAL CB . 18317 1 163 . 1 1 16 16 VAL CG1 C 13 20.78 0.05 . 1 . . . . 16 VAL CG1 . 18317 1 164 . 1 1 16 16 VAL CG2 C 13 21.46 0.05 . 1 . . . . 16 VAL CG2 . 18317 1 165 . 1 1 16 16 VAL N N 15 121.2 0.1 . 1 . . . . 16 VAL N . 18317 1 166 . 1 1 17 17 ARG H H 1 8.56 0.02 . 1 . . . . 17 ARG H . 18317 1 167 . 1 1 17 17 ARG HA H 1 4.52 0.02 . 1 . . . . 17 ARG HA . 18317 1 168 . 1 1 17 17 ARG HB2 H 1 1.85 0.02 . 1 . . . . 17 ARG HB2 . 18317 1 169 . 1 1 17 17 ARG HB3 H 1 1.96 0.02 . 1 . . . . 17 ARG HB3 . 18317 1 170 . 1 1 17 17 ARG HG2 H 1 1.72 0.02 . 2 . . . . 17 ARG HG2 . 18317 1 171 . 1 1 17 17 ARG HG3 H 1 1.72 0.02 . 2 . . . . 17 ARG HG3 . 18317 1 172 . 1 1 17 17 ARG HD2 H 1 3.31 0.02 . 2 . . . . 17 ARG HD2 . 18317 1 173 . 1 1 17 17 ARG HD3 H 1 3.31 0.02 . 2 . . . . 17 ARG HD3 . 18317 1 174 . 1 1 17 17 ARG C C 13 176.09 0.05 . 1 . . . . 17 ARG C . 18317 1 175 . 1 1 17 17 ARG CA C 13 56.09 0.05 . 1 . . . . 17 ARG CA . 18317 1 176 . 1 1 17 17 ARG CB C 13 31.24 0.05 . 1 . . . . 17 ARG CB . 18317 1 177 . 1 1 17 17 ARG CG C 13 27.01 0.05 . 1 . . . . 17 ARG CG . 18317 1 178 . 1 1 17 17 ARG N N 15 124.6 0.1 . 1 . . . . 17 ARG N . 18317 1 179 . 1 1 18 18 ASP H H 1 8.39 0.02 . 1 . . . . 18 ASP H . 18317 1 180 . 1 1 18 18 ASP HA H 1 4.66 0.02 . 1 . . . . 18 ASP HA . 18317 1 181 . 1 1 18 18 ASP HB2 H 1 2.66 0.02 . 1 . . . . 18 ASP HB2 . 18317 1 182 . 1 1 18 18 ASP HB3 H 1 2.83 0.02 . 1 . . . . 18 ASP HB3 . 18317 1 183 . 1 1 18 18 ASP C C 13 175.60 0.05 . 1 . . . . 18 ASP C . 18317 1 184 . 1 1 18 18 ASP CA C 13 54.50 0.05 . 1 . . . . 18 ASP CA . 18317 1 185 . 1 1 18 18 ASP CB C 13 41.25 0.05 . 1 . . . . 18 ASP CB . 18317 1 186 . 1 1 18 18 ASP N N 15 121.2 0.1 . 1 . . . . 18 ASP N . 18317 1 187 . 1 1 19 19 ALA H H 1 8.17 0.02 . 1 . . . . 19 ALA H . 18317 1 188 . 1 1 19 19 ALA HA H 1 4.62 0.02 . 1 . . . . 19 ALA HA . 18317 1 189 . 1 1 19 19 ALA HB1 H 1 1.30 0.02 . 1 . . . . 19 ALA HB . 18317 1 190 . 1 1 19 19 ALA HB2 H 1 1.30 0.02 . 1 . . . . 19 ALA HB . 18317 1 191 . 1 1 19 19 ALA HB3 H 1 1.30 0.02 . 1 . . . . 19 ALA HB . 18317 1 192 . 1 1 19 19 ALA CA C 13 50.59 0.05 . 1 . . . . 19 ALA CA . 18317 1 193 . 1 1 19 19 ALA CB C 13 18.07 0.05 . 1 . . . . 19 ALA CB . 18317 1 194 . 1 1 19 19 ALA N N 15 125.1 0.1 . 1 . . . . 19 ALA N . 18317 1 195 . 1 1 20 20 PRO HA H 1 3.84 0.02 . 1 . . . . 20 PRO HA . 18317 1 196 . 1 1 20 20 PRO HB2 H 1 1.78 0.02 . 2 . . . . 20 PRO HB2 . 18317 1 197 . 1 1 20 20 PRO HB3 H 1 1.78 0.02 . 2 . . . . 20 PRO HB3 . 18317 1 198 . 1 1 20 20 PRO HG2 H 1 2.07 0.02 . 1 . . . . 20 PRO HG2 . 18317 1 199 . 1 1 20 20 PRO HG3 H 1 2.20 0.02 . 1 . . . . 20 PRO HG3 . 18317 1 200 . 1 1 20 20 PRO HD2 H 1 3.95 0.02 . 1 . . . . 20 PRO HD2 . 18317 1 201 . 1 1 20 20 PRO HD3 H 1 4.00 0.02 . 1 . . . . 20 PRO HD3 . 18317 1 202 . 1 1 20 20 PRO C C 13 176.71 0.05 . 1 . . . . 20 PRO C . 18317 1 203 . 1 1 20 20 PRO CA C 13 63.28 0.05 . 1 . . . . 20 PRO CA . 18317 1 204 . 1 1 20 20 PRO CB C 13 32.26 0.05 . 1 . . . . 20 PRO CB . 18317 1 205 . 1 1 20 20 PRO CG C 13 27.17 0.05 . 1 . . . . 20 PRO CG . 18317 1 206 . 1 1 20 20 PRO CD C 13 50.75 0.05 . 1 . . . . 20 PRO CD . 18317 1 207 . 1 1 21 21 ALA H H 1 8.55 0.02 . 1 . . . . 21 ALA H . 18317 1 208 . 1 1 21 21 ALA HA H 1 4.45 0.02 . 1 . . . . 21 ALA HA . 18317 1 209 . 1 1 21 21 ALA HB1 H 1 1.53 0.02 . 1 . . . . 21 ALA HB . 18317 1 210 . 1 1 21 21 ALA HB2 H 1 1.53 0.02 . 1 . . . . 21 ALA HB . 18317 1 211 . 1 1 21 21 ALA HB3 H 1 1.53 0.02 . 1 . . . . 21 ALA HB . 18317 1 212 . 1 1 21 21 ALA C C 13 178.52 0.05 . 1 . . . . 21 ALA C . 18317 1 213 . 1 1 21 21 ALA CA C 13 52.77 0.05 . 1 . . . . 21 ALA CA . 18317 1 214 . 1 1 21 21 ALA CB C 13 19.32 0.05 . 1 . . . . 21 ALA CB . 18317 1 215 . 1 1 21 21 ALA N N 15 124.7 0.1 . 1 . . . . 21 ALA N . 18317 1 216 . 1 1 22 22 GLY H H 1 8.68 0.02 . 1 . . . . 22 GLY H . 18317 1 217 . 1 1 22 22 GLY C C 13 174.92 0.05 . 1 . . . . 22 GLY C . 18317 1 218 . 1 1 22 22 GLY CA C 13 45.43 0.05 . 1 . . . . 22 GLY CA . 18317 1 219 . 1 1 22 22 GLY N N 15 109.1 0.1 . 1 . . . . 22 GLY N . 18317 1 220 . 1 1 23 23 HIS H H 1 8.45 0.02 . 1 . . . . 23 HIS H . 18317 1 221 . 1 1 23 23 HIS HA H 1 4.61 0.02 . 1 . . . . 23 HIS HA . 18317 1 222 . 1 1 23 23 HIS HB2 H 1 3.21 0.02 . 1 . . . . 23 HIS HB2 . 18317 1 223 . 1 1 23 23 HIS HB3 H 1 3.33 0.02 . 1 . . . . 23 HIS HB3 . 18317 1 224 . 1 1 23 23 HIS C C 13 175.70 0.05 . 1 . . . . 23 HIS C . 18317 1 225 . 1 1 23 23 HIS CA C 13 56.89 0.05 . 1 . . . . 23 HIS CA . 18317 1 226 . 1 1 23 23 HIS CB C 13 30.32 0.05 . 1 . . . . 23 HIS CB . 18317 1 227 . 1 1 23 23 HIS N N 15 119.6 0.1 . 1 . . . . 23 HIS N . 18317 1 228 . 1 1 24 24 GLU H H 1 9.22 0.02 . 1 . . . . 24 GLU H . 18317 1 229 . 1 1 24 24 GLU HA H 1 4.19 0.02 . 1 . . . . 24 GLU HA . 18317 1 230 . 1 1 24 24 GLU HB2 H 1 2.04 0.02 . 2 . . . . 24 GLU HB2 . 18317 1 231 . 1 1 24 24 GLU HB3 H 1 2.04 0.02 . 2 . . . . 24 GLU HB3 . 18317 1 232 . 1 1 24 24 GLU HG2 H 1 2.33 0.02 . 1 . . . . 24 GLU HG2 . 18317 1 233 . 1 1 24 24 GLU HG3 H 1 2.37 0.02 . 1 . . . . 24 GLU HG3 . 18317 1 234 . 1 1 24 24 GLU C C 13 175.80 0.05 . 1 . . . . 24 GLU C . 18317 1 235 . 1 1 24 24 GLU CA C 13 58.33 0.05 . 1 . . . . 24 GLU CA . 18317 1 236 . 1 1 24 24 GLU CB C 13 28.91 0.05 . 1 . . . . 24 GLU CB . 18317 1 237 . 1 1 24 24 GLU CG C 13 36.12 0.05 . 1 . . . . 24 GLU CG . 18317 1 238 . 1 1 24 24 GLU N N 15 120.5 0.1 . 1 . . . . 24 GLU N . 18317 1 239 . 1 1 25 25 ASN H H 1 8.34 0.02 . 1 . . . . 25 ASN H . 18317 1 240 . 1 1 25 25 ASN HA H 1 4.96 0.02 . 1 . . . . 25 ASN HA . 18317 1 241 . 1 1 25 25 ASN HB2 H 1 2.82 0.02 . 1 . . . . 25 ASN HB2 . 18317 1 242 . 1 1 25 25 ASN HB3 H 1 3.01 0.02 . 1 . . . . 25 ASN HB3 . 18317 1 243 . 1 1 25 25 ASN HD21 H 1 7.68 0.02 . 1 . . . . 25 ASN HD21 . 18317 1 244 . 1 1 25 25 ASN HD22 H 1 7.02 0.02 . 1 . . . . 25 ASN HD22 . 18317 1 245 . 1 1 25 25 ASN C C 13 175.09 0.05 . 1 . . . . 25 ASN C . 18317 1 246 . 1 1 25 25 ASN CA C 13 53.05 0.05 . 1 . . . . 25 ASN CA . 18317 1 247 . 1 1 25 25 ASN CB C 13 39.47 0.05 . 1 . . . . 25 ASN CB . 18317 1 248 . 1 1 25 25 ASN N N 15 117.0 0.1 . 1 . . . . 25 ASN N . 18317 1 249 . 1 1 25 25 ASN ND2 N 15 113.2 0.1 . 1 . . . . 25 ASN ND2 . 18317 1 250 . 1 1 26 26 ASP H H 1 8.02 0.02 . 1 . . . . 26 ASP H . 18317 1 251 . 1 1 26 26 ASP HA H 1 4.59 0.02 . 1 . . . . 26 ASP HA . 18317 1 252 . 1 1 26 26 ASP HB2 H 1 2.74 0.02 . 1 . . . . 26 ASP HB2 . 18317 1 253 . 1 1 26 26 ASP HB3 H 1 2.83 0.02 . 1 . . . . 26 ASP HB3 . 18317 1 254 . 1 1 26 26 ASP C C 13 176.55 0.05 . 1 . . . . 26 ASP C . 18317 1 255 . 1 1 26 26 ASP CA C 13 54.26 0.05 . 1 . . . . 26 ASP CA . 18317 1 256 . 1 1 26 26 ASP CB C 13 41.13 0.05 . 1 . . . . 26 ASP CB . 18317 1 257 . 1 1 26 26 ASP N N 15 122.2 0.1 . 1 . . . . 26 ASP N . 18317 1 258 . 1 1 27 27 LEU H H 1 8.45 0.02 . 1 . . . . 27 LEU H . 18317 1 259 . 1 1 27 27 LEU HA H 1 4.08 0.02 . 1 . . . . 27 LEU HA . 18317 1 260 . 1 1 27 27 LEU HB2 H 1 1.68 0.02 . 1 . . . . 27 LEU HB2 . 18317 1 261 . 1 1 27 27 LEU HB3 H 1 1.86 0.02 . 1 . . . . 27 LEU HB3 . 18317 1 262 . 1 1 27 27 LEU HG H 1 1.87 0.02 . 1 . . . . 27 LEU HG . 18317 1 263 . 1 1 27 27 LEU HD11 H 1 1.06 0.02 . 1 . . . . 27 LEU HD1 . 18317 1 264 . 1 1 27 27 LEU HD12 H 1 1.06 0.02 . 1 . . . . 27 LEU HD1 . 18317 1 265 . 1 1 27 27 LEU HD13 H 1 1.06 0.02 . 1 . . . . 27 LEU HD1 . 18317 1 266 . 1 1 27 27 LEU HD21 H 1 1.00 0.02 . 1 . . . . 27 LEU HD2 . 18317 1 267 . 1 1 27 27 LEU HD22 H 1 1.00 0.02 . 1 . . . . 27 LEU HD2 . 18317 1 268 . 1 1 27 27 LEU HD23 H 1 1.00 0.02 . 1 . . . . 27 LEU HD2 . 18317 1 269 . 1 1 27 27 LEU C C 13 179.64 0.05 . 1 . . . . 27 LEU C . 18317 1 270 . 1 1 27 27 LEU CA C 13 58.32 0.05 . 1 . . . . 27 LEU CA . 18317 1 271 . 1 1 27 27 LEU CB C 13 41.52 0.05 . 1 . . . . 27 LEU CB . 18317 1 272 . 1 1 27 27 LEU CG C 13 27.28 0.05 . 1 . . . . 27 LEU CG . 18317 1 273 . 1 1 27 27 LEU CD1 C 13 24.86 0.05 . 1 . . . . 27 LEU CD1 . 18317 1 274 . 1 1 27 27 LEU CD2 C 13 23.36 0.05 . 1 . . . . 27 LEU CD2 . 18317 1 275 . 1 1 27 27 LEU N N 15 124.2 0.1 . 1 . . . . 27 LEU N . 18317 1 276 . 1 1 28 28 GLU H H 1 8.58 0.02 . 1 . . . . 28 GLU H . 18317 1 277 . 1 1 28 28 GLU HA H 1 4.09 0.02 . 1 . . . . 28 GLU HA . 18317 1 278 . 1 1 28 28 GLU HB2 H 1 2.10 0.02 . 1 . . . . 28 GLU HB2 . 18317 1 279 . 1 1 28 28 GLU HB3 H 1 2.23 0.02 . 1 . . . . 28 GLU HB3 . 18317 1 280 . 1 1 28 28 GLU HG2 H 1 2.34 0.02 . 1 . . . . 28 GLU HG2 . 18317 1 281 . 1 1 28 28 GLU HG3 H 1 2.43 0.02 . 1 . . . . 28 GLU HG3 . 18317 1 282 . 1 1 28 28 GLU C C 13 179.02 0.05 . 1 . . . . 28 GLU C . 18317 1 283 . 1 1 28 28 GLU CA C 13 59.47 0.05 . 1 . . . . 28 GLU CA . 18317 1 284 . 1 1 28 28 GLU CB C 13 29.30 0.05 . 1 . . . . 28 GLU CB . 18317 1 285 . 1 1 28 28 GLU CG C 13 36.91 0.05 . 1 . . . . 28 GLU CG . 18317 1 286 . 1 1 28 28 GLU N N 15 118.7 0.1 . 1 . . . . 28 GLU N . 18317 1 287 . 1 1 29 29 ALA H H 1 7.75 0.02 . 1 . . . . 29 ALA H . 18317 1 288 . 1 1 29 29 ALA HA H 1 3.72 0.02 . 1 . . . . 29 ALA HA . 18317 1 289 . 1 1 29 29 ALA HB1 H 1 1.06 0.02 . 1 . . . . 29 ALA HB . 18317 1 290 . 1 1 29 29 ALA HB2 H 1 1.06 0.02 . 1 . . . . 29 ALA HB . 18317 1 291 . 1 1 29 29 ALA HB3 H 1 1.06 0.02 . 1 . . . . 29 ALA HB . 18317 1 292 . 1 1 29 29 ALA C C 13 178.97 0.05 . 1 . . . . 29 ALA C . 18317 1 293 . 1 1 29 29 ALA CA C 13 55.12 0.05 . 1 . . . . 29 ALA CA . 18317 1 294 . 1 1 29 29 ALA CB C 13 18.62 0.05 . 1 . . . . 29 ALA CB . 18317 1 295 . 1 1 29 29 ALA N N 15 122.7 0.1 . 1 . . . . 29 ALA N . 18317 1 296 . 1 1 30 30 ILE H H 1 8.03 0.02 . 1 . . . . 30 ILE H . 18317 1 297 . 1 1 30 30 ILE HA H 1 3.36 0.02 . 1 . . . . 30 ILE HA . 18317 1 298 . 1 1 30 30 ILE HB H 1 1.87 0.02 . 1 . . . . 30 ILE HB . 18317 1 299 . 1 1 30 30 ILE HG12 H 1 1.19 0.02 . 1 . . . . 30 ILE HG12 . 18317 1 300 . 1 1 30 30 ILE HG21 H 1 0.90 0.02 . 1 . . . . 30 ILE HG2 . 18317 1 301 . 1 1 30 30 ILE HG22 H 1 0.90 0.02 . 1 . . . . 30 ILE HG2 . 18317 1 302 . 1 1 30 30 ILE HG23 H 1 0.90 0.02 . 1 . . . . 30 ILE HG2 . 18317 1 303 . 1 1 30 30 ILE HD11 H 1 1.02 0.02 . 1 . . . . 30 ILE HD1 . 18317 1 304 . 1 1 30 30 ILE HD12 H 1 1.02 0.02 . 1 . . . . 30 ILE HD1 . 18317 1 305 . 1 1 30 30 ILE HD13 H 1 1.02 0.02 . 1 . . . . 30 ILE HD1 . 18317 1 306 . 1 1 30 30 ILE C C 13 177.78 0.05 . 1 . . . . 30 ILE C . 18317 1 307 . 1 1 30 30 ILE CA C 13 65.90 0.05 . 1 . . . . 30 ILE CA . 18317 1 308 . 1 1 30 30 ILE CB C 13 38.30 0.05 . 1 . . . . 30 ILE CB . 18317 1 309 . 1 1 30 30 ILE CG1 C 13 30.37 0.05 . 1 . . . . 30 ILE CG1 . 18317 1 310 . 1 1 30 30 ILE CG2 C 13 17.11 0.05 . 1 . . . . 30 ILE CG2 . 18317 1 311 . 1 1 30 30 ILE N N 15 118.2 0.1 . 1 . . . . 30 ILE N . 18317 1 312 . 1 1 31 31 GLU H H 1 7.99 0.02 . 1 . . . . 31 GLU H . 18317 1 313 . 1 1 31 31 GLU HA H 1 3.95 0.02 . 1 . . . . 31 GLU HA . 18317 1 314 . 1 1 31 31 GLU HB2 H 1 2.06 0.02 . 1 . . . . 31 GLU HB2 . 18317 1 315 . 1 1 31 31 GLU HB3 H 1 2.12 0.02 . 1 . . . . 31 GLU HB3 . 18317 1 316 . 1 1 31 31 GLU HG2 H 1 2.36 0.02 . 2 . . . . 31 GLU HG2 . 18317 1 317 . 1 1 31 31 GLU HG3 H 1 2.36 0.02 . 2 . . . . 31 GLU HG3 . 18317 1 318 . 1 1 31 31 GLU C C 13 180.30 0.05 . 1 . . . . 31 GLU C . 18317 1 319 . 1 1 31 31 GLU CA C 13 59.30 0.05 . 1 . . . . 31 GLU CA . 18317 1 320 . 1 1 31 31 GLU CB C 13 29.06 0.05 . 1 . . . . 31 GLU CB . 18317 1 321 . 1 1 31 31 GLU CG C 13 36.05 0.05 . 1 . . . . 31 GLU CG . 18317 1 322 . 1 1 31 31 GLU N N 15 118.3 0.1 . 1 . . . . 31 GLU N . 18317 1 323 . 1 1 32 32 LEU H H 1 7.83 0.02 . 1 . . . . 32 LEU H . 18317 1 324 . 1 1 32 32 LEU HA H 1 4.18 0.02 . 1 . . . . 32 LEU HA . 18317 1 325 . 1 1 32 32 LEU HB2 H 1 1.47 0.02 . 1 . . . . 32 LEU HB2 . 18317 1 326 . 1 1 32 32 LEU HB3 H 1 2.00 0.02 . 1 . . . . 32 LEU HB3 . 18317 1 327 . 1 1 32 32 LEU HG H 1 1.73 0.02 . 1 . . . . 32 LEU HG . 18317 1 328 . 1 1 32 32 LEU HD11 H 1 0.56 0.02 . 1 . . . . 32 LEU HD1 . 18317 1 329 . 1 1 32 32 LEU HD12 H 1 0.56 0.02 . 1 . . . . 32 LEU HD1 . 18317 1 330 . 1 1 32 32 LEU HD13 H 1 0.56 0.02 . 1 . . . . 32 LEU HD1 . 18317 1 331 . 1 1 32 32 LEU HD21 H 1 0.52 0.02 . 1 . . . . 32 LEU HD2 . 18317 1 332 . 1 1 32 32 LEU HD22 H 1 0.52 0.02 . 1 . . . . 32 LEU HD2 . 18317 1 333 . 1 1 32 32 LEU HD23 H 1 0.52 0.02 . 1 . . . . 32 LEU HD2 . 18317 1 334 . 1 1 32 32 LEU C C 13 178.19 0.05 . 1 . . . . 32 LEU C . 18317 1 335 . 1 1 32 32 LEU CA C 13 57.61 0.05 . 1 . . . . 32 LEU CA . 18317 1 336 . 1 1 32 32 LEU CB C 13 42.81 0.05 . 1 . . . . 32 LEU CB . 18317 1 337 . 1 1 32 32 LEU CG C 13 27.01 0.05 . 1 . . . . 32 LEU CG . 18317 1 338 . 1 1 32 32 LEU CD1 C 13 23.81 0.05 . 1 . . . . 32 LEU CD1 . 18317 1 339 . 1 1 32 32 LEU CD2 C 13 24.36 0.05 . 1 . . . . 32 LEU CD2 . 18317 1 340 . 1 1 32 32 LEU N N 15 121.8 0.1 . 1 . . . . 32 LEU N . 18317 1 341 . 1 1 33 33 ALA H H 1 8.06 0.02 . 1 . . . . 33 ALA H . 18317 1 342 . 1 1 33 33 ALA HA H 1 3.71 0.02 . 1 . . . . 33 ALA HA . 18317 1 343 . 1 1 33 33 ALA HB1 H 1 1.08 0.02 . 1 . . . . 33 ALA HB . 18317 1 344 . 1 1 33 33 ALA HB2 H 1 1.08 0.02 . 1 . . . . 33 ALA HB . 18317 1 345 . 1 1 33 33 ALA HB3 H 1 1.08 0.02 . 1 . . . . 33 ALA HB . 18317 1 346 . 1 1 33 33 ALA C C 13 179.19 0.05 . 1 . . . . 33 ALA C . 18317 1 347 . 1 1 33 33 ALA CA C 13 55.00 0.05 . 1 . . . . 33 ALA CA . 18317 1 348 . 1 1 33 33 ALA CB C 13 18.88 0.05 . 1 . . . . 33 ALA CB . 18317 1 349 . 1 1 33 33 ALA N N 15 124.0 0.1 . 1 . . . . 33 ALA N . 18317 1 350 . 1 1 34 34 ARG H H 1 8.35 0.02 . 1 . . . . 34 ARG H . 18317 1 351 . 1 1 34 34 ARG HA H 1 3.45 0.02 . 1 . . . . 34 ARG HA . 18317 1 352 . 1 1 34 34 ARG HB2 H 1 1.64 0.02 . 2 . . . . 34 ARG HB2 . 18317 1 353 . 1 1 34 34 ARG HB3 H 1 1.64 0.02 . 2 . . . . 34 ARG HB3 . 18317 1 354 . 1 1 34 34 ARG HG2 H 1 0.78 0.02 . 1 . . . . 34 ARG HG2 . 18317 1 355 . 1 1 34 34 ARG HG3 H 1 1.09 0.02 . 1 . . . . 34 ARG HG3 . 18317 1 356 . 1 1 34 34 ARG HD2 H 1 2.99 0.02 . 1 . . . . 34 ARG HD2 . 18317 1 357 . 1 1 34 34 ARG HD3 H 1 3.04 0.02 . 1 . . . . 34 ARG HD3 . 18317 1 358 . 1 1 34 34 ARG C C 13 180.00 0.05 . 1 . . . . 34 ARG C . 18317 1 359 . 1 1 34 34 ARG CA C 13 60.43 0.05 . 1 . . . . 34 ARG CA . 18317 1 360 . 1 1 34 34 ARG CB C 13 29.85 0.05 . 1 . . . . 34 ARG CB . 18317 1 361 . 1 1 34 34 ARG CG C 13 28.18 0.05 . 1 . . . . 34 ARG CG . 18317 1 362 . 1 1 34 34 ARG N N 15 117.9 0.1 . 1 . . . . 34 ARG N . 18317 1 363 . 1 1 35 35 PHE H H 1 8.04 0.02 . 1 . . . . 35 PHE H . 18317 1 364 . 1 1 35 35 PHE HA H 1 4.40 0.02 . 1 . . . . 35 PHE HA . 18317 1 365 . 1 1 35 35 PHE HB2 H 1 3.36 0.02 . 1 . . . . 35 PHE HB2 . 18317 1 366 . 1 1 35 35 PHE HB3 H 1 3.57 0.02 . 1 . . . . 35 PHE HB3 . 18317 1 367 . 1 1 35 35 PHE HD1 H 1 7.31 0.02 . 3 . . . . 35 PHE HD1 . 18317 1 368 . 1 1 35 35 PHE HD2 H 1 7.31 0.02 . 3 . . . . 35 PHE HD2 . 18317 1 369 . 1 1 35 35 PHE HE1 H 1 7.15 0.02 . 3 . . . . 35 PHE HE1 . 18317 1 370 . 1 1 35 35 PHE HE2 H 1 7.15 0.02 . 3 . . . . 35 PHE HE2 . 18317 1 371 . 1 1 35 35 PHE C C 13 175.83 0.05 . 1 . . . . 35 PHE C . 18317 1 372 . 1 1 35 35 PHE CA C 13 60.37 0.05 . 1 . . . . 35 PHE CA . 18317 1 373 . 1 1 35 35 PHE CB C 13 37.56 0.05 . 1 . . . . 35 PHE CB . 18317 1 374 . 1 1 35 35 PHE CE1 C 13 131.40 0.05 . 3 . . . . 35 PHE CE1 . 18317 1 375 . 1 1 35 35 PHE CE2 C 13 131.40 0.05 . 3 . . . . 35 PHE CE2 . 18317 1 376 . 1 1 35 35 PHE N N 15 122.5 0.1 . 1 . . . . 35 PHE N . 18317 1 377 . 1 1 36 36 ALA H H 1 8.22 0.02 . 1 . . . . 36 ALA H . 18317 1 378 . 1 1 36 36 ALA HA H 1 3.67 0.02 . 1 . . . . 36 ALA HA . 18317 1 379 . 1 1 36 36 ALA HB1 H 1 1.72 0.02 . 1 . . . . 36 ALA HB . 18317 1 380 . 1 1 36 36 ALA HB2 H 1 1.72 0.02 . 1 . . . . 36 ALA HB . 18317 1 381 . 1 1 36 36 ALA HB3 H 1 1.72 0.02 . 1 . . . . 36 ALA HB . 18317 1 382 . 1 1 36 36 ALA C C 13 178.04 0.05 . 1 . . . . 36 ALA C . 18317 1 383 . 1 1 36 36 ALA CA C 13 55.35 0.05 . 1 . . . . 36 ALA CA . 18317 1 384 . 1 1 36 36 ALA CB C 13 18.16 0.05 . 1 . . . . 36 ALA CB . 18317 1 385 . 1 1 36 36 ALA N N 15 122.1 0.1 . 1 . . . . 36 ALA N . 18317 1 386 . 1 1 37 37 VAL H H 1 7.66 0.02 . 1 . . . . 37 VAL H . 18317 1 387 . 1 1 37 37 VAL HA H 1 3.10 0.02 . 1 . . . . 37 VAL HA . 18317 1 388 . 1 1 37 37 VAL HB H 1 2.18 0.02 . 1 . . . . 37 VAL HB . 18317 1 389 . 1 1 37 37 VAL HG11 H 1 1.28 0.02 . 1 . . . . 37 VAL HG1 . 18317 1 390 . 1 1 37 37 VAL HG12 H 1 1.28 0.02 . 1 . . . . 37 VAL HG1 . 18317 1 391 . 1 1 37 37 VAL HG13 H 1 1.28 0.02 . 1 . . . . 37 VAL HG1 . 18317 1 392 . 1 1 37 37 VAL HG21 H 1 0.89 0.02 . 1 . . . . 37 VAL HG2 . 18317 1 393 . 1 1 37 37 VAL HG22 H 1 0.89 0.02 . 1 . . . . 37 VAL HG2 . 18317 1 394 . 1 1 37 37 VAL HG23 H 1 0.89 0.02 . 1 . . . . 37 VAL HG2 . 18317 1 395 . 1 1 37 37 VAL C C 13 176.72 0.05 . 1 . . . . 37 VAL C . 18317 1 396 . 1 1 37 37 VAL CA C 13 66.50 0.05 . 1 . . . . 37 VAL CA . 18317 1 397 . 1 1 37 37 VAL CB C 13 31.93 0.05 . 1 . . . . 37 VAL CB . 18317 1 398 . 1 1 37 37 VAL CG1 C 13 23.79 0.05 . 1 . . . . 37 VAL CG1 . 18317 1 399 . 1 1 37 37 VAL CG2 C 13 22.28 0.05 . 1 . . . . 37 VAL CG2 . 18317 1 400 . 1 1 37 37 VAL N N 15 115.1 0.1 . 1 . . . . 37 VAL N . 18317 1 401 . 1 1 38 38 ALA H H 1 8.03 0.02 . 1 . . . . 38 ALA H . 18317 1 402 . 1 1 38 38 ALA HA H 1 3.68 0.02 . 1 . . . . 38 ALA HA . 18317 1 403 . 1 1 38 38 ALA HB1 H 1 1.72 0.02 . 1 . . . . 38 ALA HB . 18317 1 404 . 1 1 38 38 ALA HB2 H 1 1.72 0.02 . 1 . . . . 38 ALA HB . 18317 1 405 . 1 1 38 38 ALA HB3 H 1 1.72 0.02 . 1 . . . . 38 ALA HB . 18317 1 406 . 1 1 38 38 ALA C C 13 181.31 0.05 . 1 . . . . 38 ALA C . 18317 1 407 . 1 1 38 38 ALA CA C 13 55.45 0.05 . 1 . . . . 38 ALA CA . 18317 1 408 . 1 1 38 38 ALA CB C 13 18.16 0.05 . 1 . . . . 38 ALA CB . 18317 1 409 . 1 1 38 38 ALA N N 15 122.0 0.1 . 1 . . . . 38 ALA N . 18317 1 410 . 1 1 39 39 GLU H H 1 8.73 0.02 . 1 . . . . 39 GLU H . 18317 1 411 . 1 1 39 39 GLU HA H 1 3.99 0.02 . 1 . . . . 39 GLU HA . 18317 1 412 . 1 1 39 39 GLU HB2 H 1 1.70 0.02 . 2 . . . . 39 GLU HB2 . 18317 1 413 . 1 1 39 39 GLU HB3 H 1 1.70 0.02 . 2 . . . . 39 GLU HB3 . 18317 1 414 . 1 1 39 39 GLU HG2 H 1 1.54 0.02 . 1 . . . . 39 GLU HG2 . 18317 1 415 . 1 1 39 39 GLU HG3 H 1 1.67 0.02 . 1 . . . . 39 GLU HG3 . 18317 1 416 . 1 1 39 39 GLU C C 13 179.23 0.05 . 1 . . . . 39 GLU C . 18317 1 417 . 1 1 39 39 GLU CA C 13 58.43 0.05 . 1 . . . . 39 GLU CA . 18317 1 418 . 1 1 39 39 GLU CB C 13 29.92 0.05 . 1 . . . . 39 GLU CB . 18317 1 419 . 1 1 39 39 GLU CG C 13 36.62 0.05 . 1 . . . . 39 GLU CG . 18317 1 420 . 1 1 39 39 GLU N N 15 120.5 0.1 . 1 . . . . 39 GLU N . 18317 1 421 . 1 1 40 40 HIS H H 1 8.05 0.02 . 1 . . . . 40 HIS H . 18317 1 422 . 1 1 40 40 HIS HA H 1 3.99 0.02 . 1 . . . . 40 HIS HA . 18317 1 423 . 1 1 40 40 HIS HB2 H 1 2.02 0.02 . 1 . . . . 40 HIS HB2 . 18317 1 424 . 1 1 40 40 HIS HB3 H 1 2.32 0.02 . 1 . . . . 40 HIS HB3 . 18317 1 425 . 1 1 40 40 HIS HD2 H 1 6.26 0.02 . 1 . . . . 40 HIS HD2 . 18317 1 426 . 1 1 40 40 HIS C C 13 179.74 0.05 . 1 . . . . 40 HIS C . 18317 1 427 . 1 1 40 40 HIS CA C 13 60.23 0.05 . 1 . . . . 40 HIS CA . 18317 1 428 . 1 1 40 40 HIS CB C 13 30.04 0.05 . 1 . . . . 40 HIS CB . 18317 1 429 . 1 1 40 40 HIS CD2 C 13 117.67 0.05 . 1 . . . . 40 HIS CD2 . 18317 1 430 . 1 1 40 40 HIS N N 15 121.7 0.1 . 1 . . . . 40 HIS N . 18317 1 431 . 1 1 41 41 ASN H H 1 8.76 0.02 . 1 . . . . 41 ASN H . 18317 1 432 . 1 1 41 41 ASN HA H 1 4.27 0.02 . 1 . . . . 41 ASN HA . 18317 1 433 . 1 1 41 41 ASN HB2 H 1 2.96 0.02 . 2 . . . . 41 ASN HB2 . 18317 1 434 . 1 1 41 41 ASN HB3 H 1 2.96 0.02 . 2 . . . . 41 ASN HB3 . 18317 1 435 . 1 1 41 41 ASN HD21 H 1 7.91 0.02 . 1 . . . . 41 ASN HD21 . 18317 1 436 . 1 1 41 41 ASN HD22 H 1 7.17 0.02 . 1 . . . . 41 ASN HD22 . 18317 1 437 . 1 1 41 41 ASN C C 13 178.86 0.05 . 1 . . . . 41 ASN C . 18317 1 438 . 1 1 41 41 ASN CA C 13 55.68 0.05 . 1 . . . . 41 ASN CA . 18317 1 439 . 1 1 41 41 ASN CB C 13 37.46 0.05 . 1 . . . . 41 ASN CB . 18317 1 440 . 1 1 41 41 ASN N N 15 121.0 0.1 . 1 . . . . 41 ASN N . 18317 1 441 . 1 1 41 41 ASN ND2 N 15 107.9 0.1 . 1 . . . . 41 ASN ND2 . 18317 1 442 . 1 1 42 42 SER H H 1 8.23 0.02 . 1 . . . . 42 SER H . 18317 1 443 . 1 1 42 42 SER HB2 H 1 4.06 0.02 . 2 . . . . 42 SER HB2 . 18317 1 444 . 1 1 42 42 SER HB3 H 1 4.06 0.02 . 2 . . . . 42 SER HB3 . 18317 1 445 . 1 1 42 42 SER C C 13 176.31 0.05 . 1 . . . . 42 SER C . 18317 1 446 . 1 1 42 42 SER CA C 13 61.09 0.05 . 1 . . . . 42 SER CA . 18317 1 447 . 1 1 42 42 SER CB C 13 62.89 0.05 . 1 . . . . 42 SER CB . 18317 1 448 . 1 1 42 42 SER N N 15 115.8 0.1 . 1 . . . . 42 SER N . 18317 1 449 . 1 1 43 43 LYS H H 1 7.75 0.02 . 1 . . . . 43 LYS H . 18317 1 450 . 1 1 43 43 LYS HA H 1 4.34 0.02 . 1 . . . . 43 LYS HA . 18317 1 451 . 1 1 43 43 LYS HB2 H 1 1.96 0.02 . 2 . . . . 43 LYS HB2 . 18317 1 452 . 1 1 43 43 LYS HB3 H 1 1.96 0.02 . 2 . . . . 43 LYS HB3 . 18317 1 453 . 1 1 43 43 LYS HG2 H 1 1.57 0.02 . 1 . . . . 43 LYS HG2 . 18317 1 454 . 1 1 43 43 LYS HG3 H 1 1.67 0.02 . 1 . . . . 43 LYS HG3 . 18317 1 455 . 1 1 43 43 LYS HD2 H 1 1.76 0.02 . 2 . . . . 43 LYS HD2 . 18317 1 456 . 1 1 43 43 LYS HD3 H 1 1.76 0.02 . 2 . . . . 43 LYS HD3 . 18317 1 457 . 1 1 43 43 LYS HE2 H 1 3.07 0.02 . 1 . . . . 43 LYS HE2 . 18317 1 458 . 1 1 43 43 LYS HE3 H 1 3.14 0.02 . 1 . . . . 43 LYS HE3 . 18317 1 459 . 1 1 43 43 LYS C C 13 178.42 0.05 . 1 . . . . 43 LYS C . 18317 1 460 . 1 1 43 43 LYS CA C 13 57.97 0.05 . 1 . . . . 43 LYS CA . 18317 1 461 . 1 1 43 43 LYS CB C 13 33.81 0.05 . 1 . . . . 43 LYS CB . 18317 1 462 . 1 1 43 43 LYS CG C 13 25.27 0.05 . 1 . . . . 43 LYS CG . 18317 1 463 . 1 1 43 43 LYS CD C 13 28.86 0.05 . 1 . . . . 43 LYS CD . 18317 1 464 . 1 1 43 43 LYS CE C 13 42.05 0.05 . 1 . . . . 43 LYS CE . 18317 1 465 . 1 1 43 43 LYS N N 15 118.8 0.1 . 1 . . . . 43 LYS N . 18317 1 466 . 1 1 44 44 THR H H 1 7.73 0.02 . 1 . . . . 44 THR H . 18317 1 467 . 1 1 44 44 THR HA H 1 4.53 0.02 . 1 . . . . 44 THR HA . 18317 1 468 . 1 1 44 44 THR HB H 1 4.22 0.02 . 1 . . . . 44 THR HB . 18317 1 469 . 1 1 44 44 THR HG21 H 1 1.02 0.02 . 1 . . . . 44 THR HG2 . 18317 1 470 . 1 1 44 44 THR HG22 H 1 1.02 0.02 . 1 . . . . 44 THR HG2 . 18317 1 471 . 1 1 44 44 THR HG23 H 1 1.02 0.02 . 1 . . . . 44 THR HG2 . 18317 1 472 . 1 1 44 44 THR C C 13 175.35 0.05 . 1 . . . . 44 THR C . 18317 1 473 . 1 1 44 44 THR CA C 13 61.82 0.05 . 1 . . . . 44 THR CA . 18317 1 474 . 1 1 44 44 THR CB C 13 71.43 0.05 . 1 . . . . 44 THR CB . 18317 1 475 . 1 1 44 44 THR N N 15 106.2 0.1 . 1 . . . . 44 THR N . 18317 1 476 . 1 1 45 45 ASN H H 1 8.41 0.02 . 1 . . . . 45 ASN H . 18317 1 477 . 1 1 45 45 ASN HA H 1 4.65 0.02 . 1 . . . . 45 ASN HA . 18317 1 478 . 1 1 45 45 ASN HB2 H 1 2.87 0.02 . 1 . . . . 45 ASN HB2 . 18317 1 479 . 1 1 45 45 ASN HB3 H 1 3.22 0.02 . 1 . . . . 45 ASN HB3 . 18317 1 480 . 1 1 45 45 ASN HD21 H 1 7.58 0.02 . 1 . . . . 45 ASN HD21 . 18317 1 481 . 1 1 45 45 ASN HD22 H 1 6.86 0.02 . 1 . . . . 45 ASN HD22 . 18317 1 482 . 1 1 45 45 ASN C C 13 174.98 0.05 . 1 . . . . 45 ASN C . 18317 1 483 . 1 1 45 45 ASN CA C 13 54.41 0.05 . 1 . . . . 45 ASN CA . 18317 1 484 . 1 1 45 45 ASN CB C 13 37.42 0.05 . 1 . . . . 45 ASN CB . 18317 1 485 . 1 1 45 45 ASN N N 15 119.8 0.1 . 1 . . . . 45 ASN N . 18317 1 486 . 1 1 45 45 ASN ND2 N 15 112.0 0.1 . 1 . . . . 45 ASN ND2 . 18317 1 487 . 1 1 46 46 ALA H H 1 7.44 0.02 . 1 . . . . 46 ALA H . 18317 1 488 . 1 1 46 46 ALA HA H 1 4.25 0.02 . 1 . . . . 46 ALA HA . 18317 1 489 . 1 1 46 46 ALA HB1 H 1 1.54 0.02 . 1 . . . . 46 ALA HB . 18317 1 490 . 1 1 46 46 ALA HB2 H 1 1.54 0.02 . 1 . . . . 46 ALA HB . 18317 1 491 . 1 1 46 46 ALA HB3 H 1 1.54 0.02 . 1 . . . . 46 ALA HB . 18317 1 492 . 1 1 46 46 ALA C C 13 176.56 0.05 . 1 . . . . 46 ALA C . 18317 1 493 . 1 1 46 46 ALA CA C 13 53.25 0.05 . 1 . . . . 46 ALA CA . 18317 1 494 . 1 1 46 46 ALA CB C 13 20.04 0.05 . 1 . . . . 46 ALA CB . 18317 1 495 . 1 1 46 46 ALA N N 15 119.3 0.1 . 1 . . . . 46 ALA N . 18317 1 496 . 1 1 47 47 MET H H 1 8.18 0.02 . 1 . . . . 47 MET H . 18317 1 497 . 1 1 47 47 MET HA H 1 4.15 0.02 . 1 . . . . 47 MET HA . 18317 1 498 . 1 1 47 47 MET HB2 H 1 2.13 0.02 . 1 . . . . 47 MET HB2 . 18317 1 499 . 1 1 47 47 MET HB3 H 1 2.24 0.02 . 1 . . . . 47 MET HB3 . 18317 1 500 . 1 1 47 47 MET HG2 H 1 2.46 0.02 . 1 . . . . 47 MET HG2 . 18317 1 501 . 1 1 47 47 MET HG3 H 1 2.55 0.02 . 1 . . . . 47 MET HG3 . 18317 1 502 . 1 1 47 47 MET C C 13 175.59 0.05 . 1 . . . . 47 MET C . 18317 1 503 . 1 1 47 47 MET CA C 13 54.96 0.05 . 1 . . . . 47 MET CA . 18317 1 504 . 1 1 47 47 MET CB C 13 30.84 0.05 . 1 . . . . 47 MET CB . 18317 1 505 . 1 1 47 47 MET CG C 13 32.13 0.05 . 1 . . . . 47 MET CG . 18317 1 506 . 1 1 47 47 MET N N 15 114.5 0.1 . 1 . . . . 47 MET N . 18317 1 507 . 1 1 48 48 LEU H H 1 8.66 0.02 . 1 . . . . 48 LEU H . 18317 1 508 . 1 1 48 48 LEU HA H 1 4.64 0.02 . 1 . . . . 48 LEU HA . 18317 1 509 . 1 1 48 48 LEU HB2 H 1 1.05 0.02 . 1 . . . . 48 LEU HB2 . 18317 1 510 . 1 1 48 48 LEU HB3 H 1 1.90 0.02 . 1 . . . . 48 LEU HB3 . 18317 1 511 . 1 1 48 48 LEU HG H 1 1.90 0.02 . 1 . . . . 48 LEU HG . 18317 1 512 . 1 1 48 48 LEU HD11 H 1 0.98 0.02 . 1 . . . . 48 LEU HD1 . 18317 1 513 . 1 1 48 48 LEU HD12 H 1 0.98 0.02 . 1 . . . . 48 LEU HD1 . 18317 1 514 . 1 1 48 48 LEU HD13 H 1 0.98 0.02 . 1 . . . . 48 LEU HD1 . 18317 1 515 . 1 1 48 48 LEU HD21 H 1 0.67 0.02 . 1 . . . . 48 LEU HD2 . 18317 1 516 . 1 1 48 48 LEU HD22 H 1 0.67 0.02 . 1 . . . . 48 LEU HD2 . 18317 1 517 . 1 1 48 48 LEU HD23 H 1 0.67 0.02 . 1 . . . . 48 LEU HD2 . 18317 1 518 . 1 1 48 48 LEU C C 13 178.21 0.05 . 1 . . . . 48 LEU C . 18317 1 519 . 1 1 48 48 LEU CA C 13 54.67 0.05 . 1 . . . . 48 LEU CA . 18317 1 520 . 1 1 48 48 LEU CB C 13 43.28 0.05 . 1 . . . . 48 LEU CB . 18317 1 521 . 1 1 48 48 LEU CG C 13 26.48 0.05 . 1 . . . . 48 LEU CG . 18317 1 522 . 1 1 48 48 LEU CD1 C 13 22.60 0.05 . 1 . . . . 48 LEU CD1 . 18317 1 523 . 1 1 48 48 LEU CD2 C 13 26.80 0.05 . 1 . . . . 48 LEU CD2 . 18317 1 524 . 1 1 48 48 LEU N N 15 118.0 0.1 . 1 . . . . 48 LEU N . 18317 1 525 . 1 1 49 49 GLU H H 1 8.65 0.02 . 1 . . . . 49 GLU H . 18317 1 526 . 1 1 49 49 GLU HA H 1 4.82 0.02 . 1 . . . . 49 GLU HA . 18317 1 527 . 1 1 49 49 GLU HB2 H 1 2.01 0.02 . 1 . . . . 49 GLU HB2 . 18317 1 528 . 1 1 49 49 GLU HB3 H 1 2.13 0.02 . 1 . . . . 49 GLU HB3 . 18317 1 529 . 1 1 49 49 GLU HG2 H 1 2.25 0.02 . 1 . . . . 49 GLU HG2 . 18317 1 530 . 1 1 49 49 GLU HG3 H 1 2.38 0.02 . 1 . . . . 49 GLU HG3 . 18317 1 531 . 1 1 49 49 GLU C C 13 176.30 0.05 . 1 . . . . 49 GLU C . 18317 1 532 . 1 1 49 49 GLU CA C 13 54.54 0.05 . 1 . . . . 49 GLU CA . 18317 1 533 . 1 1 49 49 GLU CB C 13 32.58 0.05 . 1 . . . . 49 GLU CB . 18317 1 534 . 1 1 49 49 GLU CG C 13 36.07 0.05 . 1 . . . . 49 GLU CG . 18317 1 535 . 1 1 49 49 GLU N N 15 120.3 0.1 . 1 . . . . 49 GLU N . 18317 1 536 . 1 1 50 50 PHE H H 1 9.46 0.02 . 1 . . . . 50 PHE H . 18317 1 537 . 1 1 50 50 PHE HA H 1 4.04 0.02 . 1 . . . . 50 PHE HA . 18317 1 538 . 1 1 50 50 PHE HB2 H 1 3.01 0.02 . 1 . . . . 50 PHE HB2 . 18317 1 539 . 1 1 50 50 PHE HB3 H 1 3.16 0.02 . 1 . . . . 50 PHE HB3 . 18317 1 540 . 1 1 50 50 PHE HD1 H 1 7.03 0.02 . 3 . . . . 50 PHE HD1 . 18317 1 541 . 1 1 50 50 PHE HD2 H 1 7.03 0.02 . 3 . . . . 50 PHE HD2 . 18317 1 542 . 1 1 50 50 PHE HE1 H 1 7.13 0.02 . 3 . . . . 50 PHE HE1 . 18317 1 543 . 1 1 50 50 PHE HE2 H 1 7.13 0.02 . 3 . . . . 50 PHE HE2 . 18317 1 544 . 1 1 50 50 PHE HZ H 1 7.27 0.02 . 1 . . . . 50 PHE HZ . 18317 1 545 . 1 1 50 50 PHE C C 13 173.85 0.05 . 1 . . . . 50 PHE C . 18317 1 546 . 1 1 50 50 PHE CA C 13 60.82 0.05 . 1 . . . . 50 PHE CA . 18317 1 547 . 1 1 50 50 PHE CB C 13 39.65 0.05 . 1 . . . . 50 PHE CB . 18317 1 548 . 1 1 50 50 PHE CD1 C 13 131.32 0.05 . 3 . . . . 50 PHE CD1 . 18317 1 549 . 1 1 50 50 PHE CD2 C 13 131.32 0.05 . 3 . . . . 50 PHE CD2 . 18317 1 550 . 1 1 50 50 PHE CZ C 13 130.89 0.05 . 1 . . . . 50 PHE CZ . 18317 1 551 . 1 1 50 50 PHE N N 15 126.1 0.1 . 1 . . . . 50 PHE N . 18317 1 552 . 1 1 51 51 GLU H H 1 8.08 0.02 . 1 . . . . 51 GLU H . 18317 1 553 . 1 1 51 51 GLU HA H 1 4.54 0.02 . 1 . . . . 51 GLU HA . 18317 1 554 . 1 1 51 51 GLU HB2 H 1 1.68 0.02 . 1 . . . . 51 GLU HB2 . 18317 1 555 . 1 1 51 51 GLU HB3 H 1 1.77 0.02 . 1 . . . . 51 GLU HB3 . 18317 1 556 . 1 1 51 51 GLU HG2 H 1 2.03 0.02 . 1 . . . . 51 GLU HG2 . 18317 1 557 . 1 1 51 51 GLU HG3 H 1 2.19 0.02 . 1 . . . . 51 GLU HG3 . 18317 1 558 . 1 1 51 51 GLU C C 13 174.86 0.05 . 1 . . . . 51 GLU C . 18317 1 559 . 1 1 51 51 GLU CA C 13 57.91 0.05 . 1 . . . . 51 GLU CA . 18317 1 560 . 1 1 51 51 GLU CB C 13 32.05 0.05 . 1 . . . . 51 GLU CB . 18317 1 561 . 1 1 51 51 GLU CG C 13 36.79 0.05 . 1 . . . . 51 GLU CG . 18317 1 562 . 1 1 51 51 GLU N N 15 126.7 0.1 . 1 . . . . 51 GLU N . 18317 1 563 . 1 1 52 52 ARG H H 1 7.36 0.02 . 1 . . . . 52 ARG H . 18317 1 564 . 1 1 52 52 ARG HA H 1 4.36 0.02 . 1 . . . . 52 ARG HA . 18317 1 565 . 1 1 52 52 ARG HB2 H 1 1.67 0.02 . 1 . . . . 52 ARG HB2 . 18317 1 566 . 1 1 52 52 ARG HB3 H 1 1.78 0.02 . 1 . . . . 52 ARG HB3 . 18317 1 567 . 1 1 52 52 ARG HG2 H 1 1.39 0.02 . 2 . . . . 52 ARG HG2 . 18317 1 568 . 1 1 52 52 ARG HG3 H 1 1.39 0.02 . 2 . . . . 52 ARG HG3 . 18317 1 569 . 1 1 52 52 ARG HD2 H 1 3.16 0.02 . 1 . . . . 52 ARG HD2 . 18317 1 570 . 1 1 52 52 ARG HD3 H 1 3.22 0.02 . 1 . . . . 52 ARG HD3 . 18317 1 571 . 1 1 52 52 ARG C C 13 173.66 0.05 . 1 . . . . 52 ARG C . 18317 1 572 . 1 1 52 52 ARG CA C 13 55.64 0.05 . 1 . . . . 52 ARG CA . 18317 1 573 . 1 1 52 52 ARG CB C 13 33.62 0.05 . 1 . . . . 52 ARG CB . 18317 1 574 . 1 1 52 52 ARG CG C 13 27.01 0.05 . 1 . . . . 52 ARG CG . 18317 1 575 . 1 1 52 52 ARG N N 15 112.9 0.1 . 1 . . . . 52 ARG N . 18317 1 576 . 1 1 53 53 LEU H H 1 9.46 0.02 . 1 . . . . 53 LEU H . 18317 1 577 . 1 1 53 53 LEU HA H 1 4.71 0.02 . 1 . . . . 53 LEU HA . 18317 1 578 . 1 1 53 53 LEU HB2 H 1 1.47 0.02 . 1 . . . . 53 LEU HB2 . 18317 1 579 . 1 1 53 53 LEU HB3 H 1 2.22 0.02 . 1 . . . . 53 LEU HB3 . 18317 1 580 . 1 1 53 53 LEU HG H 1 1.53 0.02 . 1 . . . . 53 LEU HG . 18317 1 581 . 1 1 53 53 LEU HD11 H 1 1.06 0.02 . 1 . . . . 53 LEU HD1 . 18317 1 582 . 1 1 53 53 LEU HD12 H 1 1.06 0.02 . 1 . . . . 53 LEU HD1 . 18317 1 583 . 1 1 53 53 LEU HD13 H 1 1.06 0.02 . 1 . . . . 53 LEU HD1 . 18317 1 584 . 1 1 53 53 LEU HD21 H 1 0.89 0.02 . 1 . . . . 53 LEU HD2 . 18317 1 585 . 1 1 53 53 LEU HD22 H 1 0.89 0.02 . 1 . . . . 53 LEU HD2 . 18317 1 586 . 1 1 53 53 LEU HD23 H 1 0.89 0.02 . 1 . . . . 53 LEU HD2 . 18317 1 587 . 1 1 53 53 LEU C C 13 175.01 0.05 . 1 . . . . 53 LEU C . 18317 1 588 . 1 1 53 53 LEU CA C 13 54.72 0.05 . 1 . . . . 53 LEU CA . 18317 1 589 . 1 1 53 53 LEU CB C 13 43.16 0.05 . 1 . . . . 53 LEU CB . 18317 1 590 . 1 1 53 53 LEU CG C 13 27.69 0.05 . 1 . . . . 53 LEU CG . 18317 1 591 . 1 1 53 53 LEU CD1 C 13 24.69 0.05 . 1 . . . . 53 LEU CD1 . 18317 1 592 . 1 1 53 53 LEU CD2 C 13 26.46 0.05 . 1 . . . . 53 LEU CD2 . 18317 1 593 . 1 1 53 53 LEU N N 15 126.0 0.1 . 1 . . . . 53 LEU N . 18317 1 594 . 1 1 54 54 VAL H H 1 8.76 0.02 . 1 . . . . 54 VAL H . 18317 1 595 . 1 1 54 54 VAL HA H 1 4.13 0.02 . 1 . . . . 54 VAL HA . 18317 1 596 . 1 1 54 54 VAL HB H 1 1.90 0.02 . 1 . . . . 54 VAL HB . 18317 1 597 . 1 1 54 54 VAL HG11 H 1 1.03 0.02 . 1 . . . . 54 VAL HG1 . 18317 1 598 . 1 1 54 54 VAL HG12 H 1 1.03 0.02 . 1 . . . . 54 VAL HG1 . 18317 1 599 . 1 1 54 54 VAL HG13 H 1 1.03 0.02 . 1 . . . . 54 VAL HG1 . 18317 1 600 . 1 1 54 54 VAL HG21 H 1 0.92 0.02 . 1 . . . . 54 VAL HG2 . 18317 1 601 . 1 1 54 54 VAL HG22 H 1 0.92 0.02 . 1 . . . . 54 VAL HG2 . 18317 1 602 . 1 1 54 54 VAL HG23 H 1 0.92 0.02 . 1 . . . . 54 VAL HG2 . 18317 1 603 . 1 1 54 54 VAL C C 13 175.78 0.05 . 1 . . . . 54 VAL C . 18317 1 604 . 1 1 54 54 VAL CA C 13 64.06 0.05 . 1 . . . . 54 VAL CA . 18317 1 605 . 1 1 54 54 VAL CB C 13 33.12 0.05 . 1 . . . . 54 VAL CB . 18317 1 606 . 1 1 54 54 VAL CG1 C 13 20.66 0.05 . 1 . . . . 54 VAL CG1 . 18317 1 607 . 1 1 54 54 VAL CG2 C 13 21.83 0.05 . 1 . . . . 54 VAL CG2 . 18317 1 608 . 1 1 54 54 VAL N N 15 125.2 0.1 . 1 . . . . 54 VAL N . 18317 1 609 . 1 1 55 55 LYS H H 1 7.72 0.02 . 1 . . . . 55 LYS H . 18317 1 610 . 1 1 55 55 LYS HA H 1 4.84 0.02 . 1 . . . . 55 LYS HA . 18317 1 611 . 1 1 55 55 LYS HB2 H 1 1.88 0.02 . 1 . . . . 55 LYS HB2 . 18317 1 612 . 1 1 55 55 LYS HB3 H 1 1.95 0.02 . 1 . . . . 55 LYS HB3 . 18317 1 613 . 1 1 55 55 LYS HG2 H 1 1.57 0.02 . 2 . . . . 55 LYS HG2 . 18317 1 614 . 1 1 55 55 LYS HG3 H 1 1.57 0.02 . 2 . . . . 55 LYS HG3 . 18317 1 615 . 1 1 55 55 LYS HD2 H 1 1.79 0.02 . 2 . . . . 55 LYS HD2 . 18317 1 616 . 1 1 55 55 LYS HD3 H 1 1.79 0.02 . 2 . . . . 55 LYS HD3 . 18317 1 617 . 1 1 55 55 LYS HE2 H 1 3.00 0.02 . 1 . . . . 55 LYS HE2 . 18317 1 618 . 1 1 55 55 LYS HE3 H 1 3.02 0.02 . 1 . . . . 55 LYS HE3 . 18317 1 619 . 1 1 55 55 LYS C C 13 174.23 0.05 . 1 . . . . 55 LYS C . 18317 1 620 . 1 1 55 55 LYS CA C 13 56.10 0.05 . 1 . . . . 55 LYS CA . 18317 1 621 . 1 1 55 55 LYS CB C 13 36.55 0.05 . 1 . . . . 55 LYS CB . 18317 1 622 . 1 1 55 55 LYS CG C 13 25.08 0.05 . 1 . . . . 55 LYS CG . 18317 1 623 . 1 1 55 55 LYS CD C 13 29.16 0.05 . 1 . . . . 55 LYS CD . 18317 1 624 . 1 1 55 55 LYS CE C 13 42.00 0.05 . 1 . . . . 55 LYS CE . 18317 1 625 . 1 1 55 55 LYS N N 15 117.1 0.1 . 1 . . . . 55 LYS N . 18317 1 626 . 1 1 56 56 VAL H H 1 8.88 0.02 . 1 . . . . 56 VAL H . 18317 1 627 . 1 1 56 56 VAL HA H 1 5.21 0.02 . 1 . . . . 56 VAL HA . 18317 1 628 . 1 1 56 56 VAL HB H 1 2.13 0.02 . 1 . . . . 56 VAL HB . 18317 1 629 . 1 1 56 56 VAL HG11 H 1 0.96 0.02 . 1 . . . . 56 VAL HG1 . 18317 1 630 . 1 1 56 56 VAL HG12 H 1 0.96 0.02 . 1 . . . . 56 VAL HG1 . 18317 1 631 . 1 1 56 56 VAL HG13 H 1 0.96 0.02 . 1 . . . . 56 VAL HG1 . 18317 1 632 . 1 1 56 56 VAL HG21 H 1 0.94 0.02 . 1 . . . . 56 VAL HG2 . 18317 1 633 . 1 1 56 56 VAL HG22 H 1 0.94 0.02 . 1 . . . . 56 VAL HG2 . 18317 1 634 . 1 1 56 56 VAL HG23 H 1 0.94 0.02 . 1 . . . . 56 VAL HG2 . 18317 1 635 . 1 1 56 56 VAL C C 13 173.27 0.05 . 1 . . . . 56 VAL C . 18317 1 636 . 1 1 56 56 VAL CA C 13 60.54 0.05 . 1 . . . . 56 VAL CA . 18317 1 637 . 1 1 56 56 VAL CB C 13 35.31 0.05 . 1 . . . . 56 VAL CB . 18317 1 638 . 1 1 56 56 VAL CG1 C 13 21.19 0.05 . 2 . . . . 56 VAL CG1 . 18317 1 639 . 1 1 56 56 VAL CG2 C 13 21.19 0.05 . 2 . . . . 56 VAL CG2 . 18317 1 640 . 1 1 56 56 VAL N N 15 121.9 0.1 . 1 . . . . 56 VAL N . 18317 1 641 . 1 1 57 57 ARG H H 1 8.69 0.02 . 1 . . . . 57 ARG H . 18317 1 642 . 1 1 57 57 ARG HA H 1 5.04 0.02 . 1 . . . . 57 ARG HA . 18317 1 643 . 1 1 57 57 ARG HB2 H 1 1.70 0.02 . 1 . . . . 57 ARG HB2 . 18317 1 644 . 1 1 57 57 ARG HB3 H 1 2.35 0.02 . 1 . . . . 57 ARG HB3 . 18317 1 645 . 1 1 57 57 ARG C C 13 174.15 0.05 . 1 . . . . 57 ARG C . 18317 1 646 . 1 1 57 57 ARG CA C 13 54.98 0.05 . 1 . . . . 57 ARG CA . 18317 1 647 . 1 1 57 57 ARG CB C 13 34.14 0.05 . 1 . . . . 57 ARG CB . 18317 1 648 . 1 1 57 57 ARG N N 15 125.6 0.1 . 1 . . . . 57 ARG N . 18317 1 649 . 1 1 58 58 HIS H H 1 9.19 0.02 . 1 . . . . 58 HIS H . 18317 1 650 . 1 1 58 58 HIS HA H 1 5.38 0.02 . 1 . . . . 58 HIS HA . 18317 1 651 . 1 1 58 58 HIS HB2 H 1 2.98 0.02 . 1 . . . . 58 HIS HB2 . 18317 1 652 . 1 1 58 58 HIS HB3 H 1 3.13 0.02 . 1 . . . . 58 HIS HB3 . 18317 1 653 . 1 1 58 58 HIS HD2 H 1 7.14 0.02 . 1 . . . . 58 HIS HD2 . 18317 1 654 . 1 1 58 58 HIS C C 13 173.99 0.05 . 1 . . . . 58 HIS C . 18317 1 655 . 1 1 58 58 HIS CA C 13 54.32 0.05 . 1 . . . . 58 HIS CA . 18317 1 656 . 1 1 58 58 HIS CB C 13 31.74 0.05 . 1 . . . . 58 HIS CB . 18317 1 657 . 1 1 58 58 HIS N N 15 122.0 0.1 . 1 . . . . 58 HIS N . 18317 1 658 . 1 1 59 59 GLN H H 1 9.03 0.02 . 1 . . . . 59 GLN H . 18317 1 659 . 1 1 59 59 GLN HE21 H 1 7.94 0.02 . 1 . . . . 59 GLN HE21 . 18317 1 660 . 1 1 59 59 GLN HE22 H 1 7.18 0.02 . 1 . . . . 59 GLN HE22 . 18317 1 661 . 1 1 59 59 GLN C C 13 174.24 0.05 . 1 . . . . 59 GLN C . 18317 1 662 . 1 1 59 59 GLN CA C 13 54.44 0.05 . 1 . . . . 59 GLN CA . 18317 1 663 . 1 1 59 59 GLN CB C 13 32.06 0.05 . 1 . . . . 59 GLN CB . 18317 1 664 . 1 1 59 59 GLN N N 15 124.0 0.1 . 1 . . . . 59 GLN N . 18317 1 665 . 1 1 59 59 GLN NE2 N 15 112.0 0.1 . 1 . . . . 59 GLN NE2 . 18317 1 666 . 1 1 60 60 VAL H H 1 9.07 0.02 . 1 . . . . 60 VAL H . 18317 1 667 . 1 1 60 60 VAL HA H 1 4.44 0.02 . 1 . . . . 60 VAL HA . 18317 1 668 . 1 1 60 60 VAL HB H 1 2.17 0.02 . 1 . . . . 60 VAL HB . 18317 1 669 . 1 1 60 60 VAL HG11 H 1 1.15 0.02 . 1 . . . . 60 VAL HG1 . 18317 1 670 . 1 1 60 60 VAL HG12 H 1 1.15 0.02 . 1 . . . . 60 VAL HG1 . 18317 1 671 . 1 1 60 60 VAL HG13 H 1 1.15 0.02 . 1 . . . . 60 VAL HG1 . 18317 1 672 . 1 1 60 60 VAL HG21 H 1 1.12 0.02 . 1 . . . . 60 VAL HG2 . 18317 1 673 . 1 1 60 60 VAL HG22 H 1 1.12 0.02 . 1 . . . . 60 VAL HG2 . 18317 1 674 . 1 1 60 60 VAL HG23 H 1 1.12 0.02 . 1 . . . . 60 VAL HG2 . 18317 1 675 . 1 1 60 60 VAL C C 13 176.43 0.05 . 1 . . . . 60 VAL C . 18317 1 676 . 1 1 60 60 VAL CA C 13 63.89 0.05 . 1 . . . . 60 VAL CA . 18317 1 677 . 1 1 60 60 VAL CB C 13 31.93 0.05 . 1 . . . . 60 VAL CB . 18317 1 678 . 1 1 60 60 VAL CG1 C 13 21.21 0.05 . 2 . . . . 60 VAL CG1 . 18317 1 679 . 1 1 60 60 VAL CG2 C 13 21.21 0.05 . 2 . . . . 60 VAL CG2 . 18317 1 680 . 1 1 60 60 VAL N N 15 129.3 0.1 . 1 . . . . 60 VAL N . 18317 1 681 . 1 1 61 61 VAL H H 1 8.90 0.02 . 1 . . . . 61 VAL H . 18317 1 682 . 1 1 61 61 VAL HA H 1 4.60 0.02 . 1 . . . . 61 VAL HA . 18317 1 683 . 1 1 61 61 VAL HB H 1 2.05 0.02 . 1 . . . . 61 VAL HB . 18317 1 684 . 1 1 61 61 VAL HG11 H 1 0.83 0.02 . 1 . . . . 61 VAL HG1 . 18317 1 685 . 1 1 61 61 VAL HG12 H 1 0.83 0.02 . 1 . . . . 61 VAL HG1 . 18317 1 686 . 1 1 61 61 VAL HG13 H 1 0.83 0.02 . 1 . . . . 61 VAL HG1 . 18317 1 687 . 1 1 61 61 VAL HG21 H 1 0.79 0.02 . 1 . . . . 61 VAL HG2 . 18317 1 688 . 1 1 61 61 VAL HG22 H 1 0.79 0.02 . 1 . . . . 61 VAL HG2 . 18317 1 689 . 1 1 61 61 VAL HG23 H 1 0.79 0.02 . 1 . . . . 61 VAL HG2 . 18317 1 690 . 1 1 61 61 VAL C C 13 173.95 0.05 . 1 . . . . 61 VAL C . 18317 1 691 . 1 1 61 61 VAL CA C 13 61.74 0.05 . 1 . . . . 61 VAL CA . 18317 1 692 . 1 1 61 61 VAL CB C 13 34.17 0.05 . 1 . . . . 61 VAL CB . 18317 1 693 . 1 1 61 61 VAL CG1 C 13 21.08 0.05 . 2 . . . . 61 VAL CG1 . 18317 1 694 . 1 1 61 61 VAL CG2 C 13 21.08 0.05 . 2 . . . . 61 VAL CG2 . 18317 1 695 . 1 1 61 61 VAL N N 15 128.1 0.1 . 1 . . . . 61 VAL N . 18317 1 696 . 1 1 62 62 ALA H H 1 8.26 0.02 . 1 . . . . 62 ALA H . 18317 1 697 . 1 1 62 62 ALA HA H 1 5.34 0.02 . 1 . . . . 62 ALA HA . 18317 1 698 . 1 1 62 62 ALA HB1 H 1 1.66 0.02 . 1 . . . . 62 ALA HB . 18317 1 699 . 1 1 62 62 ALA HB2 H 1 1.66 0.02 . 1 . . . . 62 ALA HB . 18317 1 700 . 1 1 62 62 ALA HB3 H 1 1.66 0.02 . 1 . . . . 62 ALA HB . 18317 1 701 . 1 1 62 62 ALA C C 13 176.47 0.05 . 1 . . . . 62 ALA C . 18317 1 702 . 1 1 62 62 ALA CA C 13 51.46 0.05 . 1 . . . . 62 ALA CA . 18317 1 703 . 1 1 62 62 ALA CB C 13 21.84 0.05 . 1 . . . . 62 ALA CB . 18317 1 704 . 1 1 62 62 ALA N N 15 127.7 0.1 . 1 . . . . 62 ALA N . 18317 1 705 . 1 1 63 63 GLY H H 1 8.75 0.02 . 1 . . . . 63 GLY H . 18317 1 706 . 1 1 63 63 GLY HA2 H 1 4.27 0.02 . 1 . . . . 63 GLY HA2 . 18317 1 707 . 1 1 63 63 GLY HA3 H 1 5.00 0.02 . 1 . . . . 63 GLY HA3 . 18317 1 708 . 1 1 63 63 GLY C C 13 172.19 0.05 . 1 . . . . 63 GLY C . 18317 1 709 . 1 1 63 63 GLY CA C 13 45.33 0.05 . 1 . . . . 63 GLY CA . 18317 1 710 . 1 1 63 63 GLY N N 15 108.2 0.1 . 1 . . . . 63 GLY N . 18317 1 711 . 1 1 64 64 THR H H 1 8.62 0.02 . 1 . . . . 64 THR H . 18317 1 712 . 1 1 64 64 THR HA H 1 5.04 0.02 . 1 . . . . 64 THR HA . 18317 1 713 . 1 1 64 64 THR HB H 1 3.74 0.02 . 1 . . . . 64 THR HB . 18317 1 714 . 1 1 64 64 THR HG21 H 1 0.58 0.02 . 1 . . . . 64 THR HG2 . 18317 1 715 . 1 1 64 64 THR HG22 H 1 0.58 0.02 . 1 . . . . 64 THR HG2 . 18317 1 716 . 1 1 64 64 THR HG23 H 1 0.58 0.02 . 1 . . . . 64 THR HG2 . 18317 1 717 . 1 1 64 64 THR C C 13 172.29 0.05 . 1 . . . . 64 THR C . 18317 1 718 . 1 1 64 64 THR CA C 13 61.56 0.05 . 1 . . . . 64 THR CA . 18317 1 719 . 1 1 64 64 THR CB C 13 71.70 0.05 . 1 . . . . 64 THR CB . 18317 1 720 . 1 1 64 64 THR N N 15 116.7 0.1 . 1 . . . . 64 THR N . 18317 1 721 . 1 1 65 65 MET H H 1 9.67 0.02 . 1 . . . . 65 MET H . 18317 1 722 . 1 1 65 65 MET HA H 1 5.54 0.02 . 1 . . . . 65 MET HA . 18317 1 723 . 1 1 65 65 MET HB2 H 1 1.87 0.02 . 2 . . . . 65 MET HB2 . 18317 1 724 . 1 1 65 65 MET HB3 H 1 1.87 0.02 . 2 . . . . 65 MET HB3 . 18317 1 725 . 1 1 65 65 MET HG2 H 1 2.41 0.02 . 1 . . . . 65 MET HG2 . 18317 1 726 . 1 1 65 65 MET HG3 H 1 2.51 0.02 . 1 . . . . 65 MET HG3 . 18317 1 727 . 1 1 65 65 MET C C 13 174.59 0.05 . 1 . . . . 65 MET C . 18317 1 728 . 1 1 65 65 MET CA C 13 53.01 0.05 . 1 . . . . 65 MET CA . 18317 1 729 . 1 1 65 65 MET CB C 13 32.97 0.05 . 1 . . . . 65 MET CB . 18317 1 730 . 1 1 65 65 MET CG C 13 31.95 0.05 . 1 . . . . 65 MET CG . 18317 1 731 . 1 1 65 65 MET N N 15 126.9 0.1 . 1 . . . . 65 MET N . 18317 1 732 . 1 1 66 66 HIS H H 1 9.69 0.02 . 1 . . . . 66 HIS H . 18317 1 733 . 1 1 66 66 HIS HA H 1 5.83 0.02 . 1 . . . . 66 HIS HA . 18317 1 734 . 1 1 66 66 HIS HB2 H 1 3.31 0.02 . 1 . . . . 66 HIS HB2 . 18317 1 735 . 1 1 66 66 HIS HB3 H 1 3.49 0.02 . 1 . . . . 66 HIS HB3 . 18317 1 736 . 1 1 66 66 HIS C C 13 174.47 0.05 . 1 . . . . 66 HIS C . 18317 1 737 . 1 1 66 66 HIS CA C 13 55.12 0.05 . 1 . . . . 66 HIS CA . 18317 1 738 . 1 1 66 66 HIS CB C 13 32.67 0.05 . 1 . . . . 66 HIS CB . 18317 1 739 . 1 1 66 66 HIS N N 15 129.1 0.1 . 1 . . . . 66 HIS N . 18317 1 740 . 1 1 67 67 HIS H H 1 9.09 0.02 . 1 . . . . 67 HIS H . 18317 1 741 . 1 1 67 67 HIS HA H 1 5.19 0.02 . 1 . . . . 67 HIS HA . 18317 1 742 . 1 1 67 67 HIS HB2 H 1 3.06 0.02 . 2 . . . . 67 HIS HB2 . 18317 1 743 . 1 1 67 67 HIS HB3 H 1 3.06 0.02 . 2 . . . . 67 HIS HB3 . 18317 1 744 . 1 1 67 67 HIS C C 13 175.29 0.05 . 1 . . . . 67 HIS C . 18317 1 745 . 1 1 67 67 HIS CA C 13 54.55 0.05 . 1 . . . . 67 HIS CA . 18317 1 746 . 1 1 67 67 HIS CB C 13 32.09 0.05 . 1 . . . . 67 HIS CB . 18317 1 747 . 1 1 67 67 HIS N N 15 123.4 0.1 . 1 . . . . 67 HIS N . 18317 1 748 . 1 1 68 68 PHE H H 1 9.40 0.02 . 1 . . . . 68 PHE H . 18317 1 749 . 1 1 68 68 PHE HA H 1 5.82 0.02 . 1 . . . . 68 PHE HA . 18317 1 750 . 1 1 68 68 PHE HB2 H 1 3.12 0.02 . 1 . . . . 68 PHE HB2 . 18317 1 751 . 1 1 68 68 PHE HB3 H 1 3.26 0.02 . 1 . . . . 68 PHE HB3 . 18317 1 752 . 1 1 68 68 PHE HD1 H 1 7.23 0.02 . 3 . . . . 68 PHE HD1 . 18317 1 753 . 1 1 68 68 PHE HD2 H 1 7.23 0.02 . 3 . . . . 68 PHE HD2 . 18317 1 754 . 1 1 68 68 PHE HE1 H 1 7.25 0.02 . 3 . . . . 68 PHE HE1 . 18317 1 755 . 1 1 68 68 PHE HE2 H 1 7.25 0.02 . 3 . . . . 68 PHE HE2 . 18317 1 756 . 1 1 68 68 PHE C C 13 175.70 0.05 . 1 . . . . 68 PHE C . 18317 1 757 . 1 1 68 68 PHE CA C 13 54.96 0.05 . 1 . . . . 68 PHE CA . 18317 1 758 . 1 1 68 68 PHE CB C 13 42.50 0.05 . 1 . . . . 68 PHE CB . 18317 1 759 . 1 1 68 68 PHE N N 15 122.5 0.1 . 1 . . . . 68 PHE N . 18317 1 760 . 1 1 69 69 THR H H 1 9.14 0.02 . 1 . . . . 69 THR H . 18317 1 761 . 1 1 69 69 THR HA H 1 5.36 0.02 . 1 . . . . 69 THR HA . 18317 1 762 . 1 1 69 69 THR HB H 1 4.08 0.02 . 1 . . . . 69 THR HB . 18317 1 763 . 1 1 69 69 THR HG21 H 1 1.23 0.02 . 1 . . . . 69 THR HG2 . 18317 1 764 . 1 1 69 69 THR HG22 H 1 1.23 0.02 . 1 . . . . 69 THR HG2 . 18317 1 765 . 1 1 69 69 THR HG23 H 1 1.23 0.02 . 1 . . . . 69 THR HG2 . 18317 1 766 . 1 1 69 69 THR C C 13 174.22 0.05 . 1 . . . . 69 THR C . 18317 1 767 . 1 1 69 69 THR CA C 13 62.68 0.05 . 1 . . . . 69 THR CA . 18317 1 768 . 1 1 69 69 THR CB C 13 68.61 0.05 . 1 . . . . 69 THR CB . 18317 1 769 . 1 1 69 69 THR N N 15 120.0 0.1 . 1 . . . . 69 THR N . 18317 1 770 . 1 1 70 70 VAL H H 1 9.91 0.02 . 1 . . . . 70 VAL H . 18317 1 771 . 1 1 70 70 VAL HA H 1 5.00 0.02 . 1 . . . . 70 VAL HA . 18317 1 772 . 1 1 70 70 VAL HB H 1 2.16 0.02 . 1 . . . . 70 VAL HB . 18317 1 773 . 1 1 70 70 VAL HG11 H 1 1.14 0.02 . 1 . . . . 70 VAL HG1 . 18317 1 774 . 1 1 70 70 VAL HG12 H 1 1.14 0.02 . 1 . . . . 70 VAL HG1 . 18317 1 775 . 1 1 70 70 VAL HG13 H 1 1.14 0.02 . 1 . . . . 70 VAL HG1 . 18317 1 776 . 1 1 70 70 VAL HG21 H 1 1.06 0.02 . 1 . . . . 70 VAL HG2 . 18317 1 777 . 1 1 70 70 VAL HG22 H 1 1.06 0.02 . 1 . . . . 70 VAL HG2 . 18317 1 778 . 1 1 70 70 VAL HG23 H 1 1.06 0.02 . 1 . . . . 70 VAL HG2 . 18317 1 779 . 1 1 70 70 VAL C C 13 172.78 0.05 . 1 . . . . 70 VAL C . 18317 1 780 . 1 1 70 70 VAL CA C 13 59.59 0.05 . 1 . . . . 70 VAL CA . 18317 1 781 . 1 1 70 70 VAL CB C 13 35.31 0.05 . 1 . . . . 70 VAL CB . 18317 1 782 . 1 1 70 70 VAL CG1 C 13 22.87 0.05 . 1 . . . . 70 VAL CG1 . 18317 1 783 . 1 1 70 70 VAL CG2 C 13 21.38 0.05 . 1 . . . . 70 VAL CG2 . 18317 1 784 . 1 1 70 70 VAL N N 15 123.9 0.1 . 1 . . . . 70 VAL N . 18317 1 785 . 1 1 71 71 GLN H H 1 9.41 0.02 . 1 . . . . 71 GLN H . 18317 1 786 . 1 1 71 71 GLN HA H 1 5.39 0.02 . 1 . . . . 71 GLN HA . 18317 1 787 . 1 1 71 71 GLN HB2 H 1 1.85 0.02 . 1 . . . . 71 GLN HB2 . 18317 1 788 . 1 1 71 71 GLN HB3 H 1 2.03 0.02 . 1 . . . . 71 GLN HB3 . 18317 1 789 . 1 1 71 71 GLN HG2 H 1 2.16 0.02 . 2 . . . . 71 GLN HG2 . 18317 1 790 . 1 1 71 71 GLN HG3 H 1 2.16 0.02 . 2 . . . . 71 GLN HG3 . 18317 1 791 . 1 1 71 71 GLN HE21 H 1 7.90 0.02 . 1 . . . . 71 GLN HE21 . 18317 1 792 . 1 1 71 71 GLN HE22 H 1 7.14 0.02 . 1 . . . . 71 GLN HE22 . 18317 1 793 . 1 1 71 71 GLN C C 13 175.41 0.05 . 1 . . . . 71 GLN C . 18317 1 794 . 1 1 71 71 GLN CA C 13 54.51 0.05 . 1 . . . . 71 GLN CA . 18317 1 795 . 1 1 71 71 GLN CB C 13 31.35 0.05 . 1 . . . . 71 GLN CB . 18317 1 796 . 1 1 71 71 GLN CG C 13 34.61 0.05 . 1 . . . . 71 GLN CG . 18317 1 797 . 1 1 71 71 GLN N N 15 125.4 0.1 . 1 . . . . 71 GLN N . 18317 1 798 . 1 1 71 71 GLN NE2 N 15 113.9 0.1 . 1 . . . . 71 GLN NE2 . 18317 1 799 . 1 1 72 72 VAL H H 1 9.33 0.02 . 1 . . . . 72 VAL H . 18317 1 800 . 1 1 72 72 VAL HA H 1 5.31 0.02 . 1 . . . . 72 VAL HA . 18317 1 801 . 1 1 72 72 VAL HB H 1 2.21 0.02 . 1 . . . . 72 VAL HB . 18317 1 802 . 1 1 72 72 VAL HG11 H 1 1.07 0.02 . 1 . . . . 72 VAL HG1 . 18317 1 803 . 1 1 72 72 VAL HG12 H 1 1.07 0.02 . 1 . . . . 72 VAL HG1 . 18317 1 804 . 1 1 72 72 VAL HG13 H 1 1.07 0.02 . 1 . . . . 72 VAL HG1 . 18317 1 805 . 1 1 72 72 VAL HG21 H 1 0.95 0.02 . 1 . . . . 72 VAL HG2 . 18317 1 806 . 1 1 72 72 VAL HG22 H 1 0.95 0.02 . 1 . . . . 72 VAL HG2 . 18317 1 807 . 1 1 72 72 VAL HG23 H 1 0.95 0.02 . 1 . . . . 72 VAL HG2 . 18317 1 808 . 1 1 72 72 VAL C C 13 173.79 0.05 . 1 . . . . 72 VAL C . 18317 1 809 . 1 1 72 72 VAL CA C 13 58.01 0.05 . 1 . . . . 72 VAL CA . 18317 1 810 . 1 1 72 72 VAL CB C 13 34.74 0.05 . 1 . . . . 72 VAL CB . 18317 1 811 . 1 1 72 72 VAL CG1 C 13 20.51 0.05 . 1 . . . . 72 VAL CG1 . 18317 1 812 . 1 1 72 72 VAL CG2 C 13 21.89 0.05 . 1 . . . . 72 VAL CG2 . 18317 1 813 . 1 1 72 72 VAL N N 15 120.8 0.1 . 1 . . . . 72 VAL N . 18317 1 814 . 1 1 73 73 LYS H H 1 9.18 0.02 . 1 . . . . 73 LYS H . 18317 1 815 . 1 1 73 73 LYS HA H 1 5.13 0.02 . 1 . . . . 73 LYS HA . 18317 1 816 . 1 1 73 73 LYS HB2 H 1 1.80 0.02 . 1 . . . . 73 LYS HB2 . 18317 1 817 . 1 1 73 73 LYS HB3 H 1 1.85 0.02 . 1 . . . . 73 LYS HB3 . 18317 1 818 . 1 1 73 73 LYS HG2 H 1 1.41 0.02 . 1 . . . . 73 LYS HG2 . 18317 1 819 . 1 1 73 73 LYS HG3 H 1 1.57 0.02 . 1 . . . . 73 LYS HG3 . 18317 1 820 . 1 1 73 73 LYS HD2 H 1 1.73 0.02 . 1 . . . . 73 LYS HD2 . 18317 1 821 . 1 1 73 73 LYS HD3 H 1 1.79 0.02 . 1 . . . . 73 LYS HD3 . 18317 1 822 . 1 1 73 73 LYS HE2 H 1 3.02 0.02 . 2 . . . . 73 LYS HE2 . 18317 1 823 . 1 1 73 73 LYS HE3 H 1 3.02 0.02 . 2 . . . . 73 LYS HE3 . 18317 1 824 . 1 1 73 73 LYS C C 13 177.09 0.05 . 1 . . . . 73 LYS C . 18317 1 825 . 1 1 73 73 LYS CA C 13 54.96 0.05 . 1 . . . . 73 LYS CA . 18317 1 826 . 1 1 73 73 LYS CB C 13 34.74 0.05 . 1 . . . . 73 LYS CB . 18317 1 827 . 1 1 73 73 LYS CG C 13 24.77 0.05 . 1 . . . . 73 LYS CG . 18317 1 828 . 1 1 73 73 LYS CD C 13 29.47 0.05 . 1 . . . . 73 LYS CD . 18317 1 829 . 1 1 73 73 LYS CE C 13 41.80 0.05 . 1 . . . . 73 LYS CE . 18317 1 830 . 1 1 73 73 LYS N N 15 120.9 0.1 . 1 . . . . 73 LYS N . 18317 1 831 . 1 1 74 74 GLU H H 1 8.91 0.02 . 1 . . . . 74 GLU H . 18317 1 832 . 1 1 74 74 GLU HA H 1 4.62 0.02 . 1 . . . . 74 GLU HA . 18317 1 833 . 1 1 74 74 GLU HB2 H 1 2.08 0.02 . 1 . . . . 74 GLU HB2 . 18317 1 834 . 1 1 74 74 GLU HB3 H 1 2.26 0.02 . 2 . . . . 74 GLU HB3 . 18317 1 835 . 1 1 74 74 GLU HG2 H 1 2.26 0.02 . 2 . . . . 74 GLU HG2 . 18317 1 836 . 1 1 74 74 GLU HG3 H 1 2.34 0.02 . 1 . . . . 74 GLU HG3 . 18317 1 837 . 1 1 74 74 GLU C C 13 177.55 0.05 . 1 . . . . 74 GLU C . 18317 1 838 . 1 1 74 74 GLU CA C 13 55.33 0.05 . 1 . . . . 74 GLU CA . 18317 1 839 . 1 1 74 74 GLU CB C 13 31.76 0.05 . 1 . . . . 74 GLU CB . 18317 1 840 . 1 1 74 74 GLU CG C 13 36.89 0.05 . 1 . . . . 74 GLU CG . 18317 1 841 . 1 1 74 74 GLU N N 15 124.9 0.1 . 1 . . . . 74 GLU N . 18317 1 842 . 1 1 75 75 ALA H H 1 9.17 0.02 . 1 . . . . 75 ALA H . 18317 1 843 . 1 1 75 75 ALA HA H 1 4.28 0.02 . 1 . . . . 75 ALA HA . 18317 1 844 . 1 1 75 75 ALA HB1 H 1 1.57 0.02 . 1 . . . . 75 ALA HB . 18317 1 845 . 1 1 75 75 ALA HB2 H 1 1.57 0.02 . 1 . . . . 75 ALA HB . 18317 1 846 . 1 1 75 75 ALA HB3 H 1 1.57 0.02 . 1 . . . . 75 ALA HB . 18317 1 847 . 1 1 75 75 ALA C C 13 179.79 0.05 . 1 . . . . 75 ALA C . 18317 1 848 . 1 1 75 75 ALA CA C 13 54.86 0.05 . 1 . . . . 75 ALA CA . 18317 1 849 . 1 1 75 75 ALA CB C 13 18.02 0.05 . 1 . . . . 75 ALA CB . 18317 1 850 . 1 1 75 75 ALA N N 15 126.3 0.1 . 1 . . . . 75 ALA N . 18317 1 851 . 1 1 76 76 GLY H H 1 8.66 0.02 . 1 . . . . 76 GLY H . 18317 1 852 . 1 1 76 76 GLY C C 13 175.30 0.05 . 1 . . . . 76 GLY C . 18317 1 853 . 1 1 76 76 GLY CA C 13 45.53 0.05 . 1 . . . . 76 GLY CA . 18317 1 854 . 1 1 76 76 GLY N N 15 107.3 0.1 . 1 . . . . 76 GLY N . 18317 1 855 . 1 1 77 77 GLY H H 1 8.25 0.02 . 1 . . . . 77 GLY H . 18317 1 856 . 1 1 77 77 GLY HA2 H 1 3.78 0.02 . 1 . . . . 77 GLY HA2 . 18317 1 857 . 1 1 77 77 GLY HA3 H 1 4.47 0.02 . 1 . . . . 77 GLY HA3 . 18317 1 858 . 1 1 77 77 GLY C C 13 174.57 0.05 . 1 . . . . 77 GLY C . 18317 1 859 . 1 1 77 77 GLY CA C 13 45.15 0.05 . 1 . . . . 77 GLY CA . 18317 1 860 . 1 1 77 77 GLY N N 15 108.2 0.1 . 1 . . . . 77 GLY N . 18317 1 861 . 1 1 78 78 GLY H H 1 8.58 0.02 . 1 . . . . 78 GLY H . 18317 1 862 . 1 1 78 78 GLY HA2 H 1 3.91 0.02 . 1 . . . . 78 GLY HA2 . 18317 1 863 . 1 1 78 78 GLY HA3 H 1 4.20 0.02 . 1 . . . . 78 GLY HA3 . 18317 1 864 . 1 1 78 78 GLY C C 13 172.41 0.05 . 1 . . . . 78 GLY C . 18317 1 865 . 1 1 78 78 GLY CA C 13 44.97 0.05 . 1 . . . . 78 GLY CA . 18317 1 866 . 1 1 78 78 GLY N N 15 110.3 0.1 . 1 . . . . 78 GLY N . 18317 1 867 . 1 1 79 79 LYS H H 1 8.46 0.02 . 1 . . . . 79 LYS H . 18317 1 868 . 1 1 79 79 LYS HA H 1 5.48 0.02 . 1 . . . . 79 LYS HA . 18317 1 869 . 1 1 79 79 LYS HB2 H 1 1.67 0.02 . 1 . . . . 79 LYS HB2 . 18317 1 870 . 1 1 79 79 LYS HB3 H 1 1.87 0.02 . 1 . . . . 79 LYS HB3 . 18317 1 871 . 1 1 79 79 LYS HG2 H 1 1.47 0.02 . 1 . . . . 79 LYS HG2 . 18317 1 872 . 1 1 79 79 LYS HG3 H 1 1.60 0.02 . 1 . . . . 79 LYS HG3 . 18317 1 873 . 1 1 79 79 LYS HD2 H 1 1.68 0.02 . 2 . . . . 79 LYS HD2 . 18317 1 874 . 1 1 79 79 LYS HD3 H 1 1.68 0.02 . 2 . . . . 79 LYS HD3 . 18317 1 875 . 1 1 79 79 LYS HE2 H 1 3.04 0.02 . 2 . . . . 79 LYS HE2 . 18317 1 876 . 1 1 79 79 LYS HE3 H 1 3.04 0.02 . 2 . . . . 79 LYS HE3 . 18317 1 877 . 1 1 79 79 LYS C C 13 177.04 0.05 . 1 . . . . 79 LYS C . 18317 1 878 . 1 1 79 79 LYS CA C 13 54.88 0.05 . 1 . . . . 79 LYS CA . 18317 1 879 . 1 1 79 79 LYS CB C 13 34.45 0.05 . 1 . . . . 79 LYS CB . 18317 1 880 . 1 1 79 79 LYS CG C 13 25.21 0.05 . 1 . . . . 79 LYS CG . 18317 1 881 . 1 1 79 79 LYS CD C 13 28.86 0.05 . 1 . . . . 79 LYS CD . 18317 1 882 . 1 1 79 79 LYS CE C 13 42.03 0.05 . 1 . . . . 79 LYS CE . 18317 1 883 . 1 1 79 79 LYS N N 15 119.7 0.1 . 1 . . . . 79 LYS N . 18317 1 884 . 1 1 80 80 LYS H H 1 8.92 0.02 . 1 . . . . 80 LYS H . 18317 1 885 . 1 1 80 80 LYS HA H 1 4.82 0.02 . 1 . . . . 80 LYS HA . 18317 1 886 . 1 1 80 80 LYS HB2 H 1 1.79 0.02 . 1 . . . . 80 LYS HB2 . 18317 1 887 . 1 1 80 80 LYS HB3 H 1 1.94 0.02 . 1 . . . . 80 LYS HB3 . 18317 1 888 . 1 1 80 80 LYS HG2 H 1 1.40 0.02 . 1 . . . . 80 LYS HG2 . 18317 1 889 . 1 1 80 80 LYS HG3 H 1 1.58 0.02 . 1 . . . . 80 LYS HG3 . 18317 1 890 . 1 1 80 80 LYS HD2 H 1 1.79 0.02 . 1 . . . . 80 LYS HD2 . 18317 1 891 . 1 1 80 80 LYS HD3 H 1 1.86 0.02 . 1 . . . . 80 LYS HD3 . 18317 1 892 . 1 1 80 80 LYS HE2 H 1 2.98 0.02 . 2 . . . . 80 LYS HE2 . 18317 1 893 . 1 1 80 80 LYS HE3 H 1 2.98 0.02 . 2 . . . . 80 LYS HE3 . 18317 1 894 . 1 1 80 80 LYS C C 13 174.59 0.05 . 1 . . . . 80 LYS C . 18317 1 895 . 1 1 80 80 LYS CA C 13 54.59 0.05 . 1 . . . . 80 LYS CA . 18317 1 896 . 1 1 80 80 LYS CB C 13 38.20 0.05 . 1 . . . . 80 LYS CB . 18317 1 897 . 1 1 80 80 LYS CG C 13 24.82 0.05 . 1 . . . . 80 LYS CG . 18317 1 898 . 1 1 80 80 LYS CD C 13 28.57 0.05 . 1 . . . . 80 LYS CD . 18317 1 899 . 1 1 80 80 LYS CE C 13 41.81 0.05 . 1 . . . . 80 LYS CE . 18317 1 900 . 1 1 80 80 LYS N N 15 122.8 0.1 . 1 . . . . 80 LYS N . 18317 1 901 . 1 1 81 81 LEU H H 1 8.52 0.02 . 1 . . . . 81 LEU H . 18317 1 902 . 1 1 81 81 LEU HA H 1 5.57 0.02 . 1 . . . . 81 LEU HA . 18317 1 903 . 1 1 81 81 LEU HB2 H 1 1.14 0.02 . 1 . . . . 81 LEU HB2 . 18317 1 904 . 1 1 81 81 LEU HB3 H 1 1.74 0.02 . 1 . . . . 81 LEU HB3 . 18317 1 905 . 1 1 81 81 LEU HG H 1 1.65 0.02 . 1 . . . . 81 LEU HG . 18317 1 906 . 1 1 81 81 LEU HD11 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 18317 1 907 . 1 1 81 81 LEU HD12 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 18317 1 908 . 1 1 81 81 LEU HD13 H 1 0.92 0.02 . 1 . . . . 81 LEU HD1 . 18317 1 909 . 1 1 81 81 LEU HD21 H 1 0.89 0.02 . 1 . . . . 81 LEU HD2 . 18317 1 910 . 1 1 81 81 LEU HD22 H 1 0.89 0.02 . 1 . . . . 81 LEU HD2 . 18317 1 911 . 1 1 81 81 LEU HD23 H 1 0.89 0.02 . 1 . . . . 81 LEU HD2 . 18317 1 912 . 1 1 81 81 LEU C C 13 176.45 0.05 . 1 . . . . 81 LEU C . 18317 1 913 . 1 1 81 81 LEU CA C 13 53.51 0.05 . 1 . . . . 81 LEU CA . 18317 1 914 . 1 1 81 81 LEU CB C 13 44.16 0.05 . 1 . . . . 81 LEU CB . 18317 1 915 . 1 1 81 81 LEU CG C 13 27.00 0.05 . 1 . . . . 81 LEU CG . 18317 1 916 . 1 1 81 81 LEU CD1 C 13 25.39 0.05 . 1 . . . . 81 LEU CD1 . 18317 1 917 . 1 1 81 81 LEU CD2 C 13 23.96 0.05 . 1 . . . . 81 LEU CD2 . 18317 1 918 . 1 1 81 81 LEU N N 15 121.6 0.1 . 1 . . . . 81 LEU N . 18317 1 919 . 1 1 82 82 TYR H H 1 9.26 0.02 . 1 . . . . 82 TYR H . 18317 1 920 . 1 1 82 82 TYR HA H 1 5.00 0.02 . 1 . . . . 82 TYR HA . 18317 1 921 . 1 1 82 82 TYR HB2 H 1 1.52 0.02 . 1 . . . . 82 TYR HB2 . 18317 1 922 . 1 1 82 82 TYR HB3 H 1 2.09 0.02 . 1 . . . . 82 TYR HB3 . 18317 1 923 . 1 1 82 82 TYR HD1 H 1 6.49 0.02 . 3 . . . . 82 TYR HD1 . 18317 1 924 . 1 1 82 82 TYR HD2 H 1 6.49 0.02 . 3 . . . . 82 TYR HD2 . 18317 1 925 . 1 1 82 82 TYR HE1 H 1 6.70 0.02 . 3 . . . . 82 TYR HE1 . 18317 1 926 . 1 1 82 82 TYR HE2 H 1 6.70 0.02 . 3 . . . . 82 TYR HE2 . 18317 1 927 . 1 1 82 82 TYR C C 13 174.37 0.05 . 1 . . . . 82 TYR C . 18317 1 928 . 1 1 82 82 TYR CA C 13 56.33 0.05 . 1 . . . . 82 TYR CA . 18317 1 929 . 1 1 82 82 TYR CB C 13 43.20 0.05 . 1 . . . . 82 TYR CB . 18317 1 930 . 1 1 82 82 TYR CD1 C 13 133.69 0.05 . 3 . . . . 82 TYR CD1 . 18317 1 931 . 1 1 82 82 TYR CD2 C 13 133.69 0.05 . 3 . . . . 82 TYR CD2 . 18317 1 932 . 1 1 82 82 TYR CE1 C 13 117.40 0.05 . 3 . . . . 82 TYR CE1 . 18317 1 933 . 1 1 82 82 TYR CE2 C 13 117.40 0.05 . 3 . . . . 82 TYR CE2 . 18317 1 934 . 1 1 82 82 TYR N N 15 121.5 0.1 . 1 . . . . 82 TYR N . 18317 1 935 . 1 1 83 83 GLU H H 1 9.43 0.02 . 1 . . . . 83 GLU H . 18317 1 936 . 1 1 83 83 GLU HA H 1 5.19 0.02 . 1 . . . . 83 GLU HA . 18317 1 937 . 1 1 83 83 GLU HB2 H 1 2.31 0.02 . 2 . . . . 83 GLU HB2 . 18317 1 938 . 1 1 83 83 GLU HB3 H 1 2.31 0.02 . 2 . . . . 83 GLU HB3 . 18317 1 939 . 1 1 83 83 GLU HG2 H 1 1.84 0.02 . 1 . . . . 83 GLU HG2 . 18317 1 940 . 1 1 83 83 GLU HG3 H 1 2.48 0.02 . 1 . . . . 83 GLU HG3 . 18317 1 941 . 1 1 83 83 GLU C C 13 175.82 0.05 . 1 . . . . 83 GLU C . 18317 1 942 . 1 1 83 83 GLU CA C 13 54.41 0.05 . 1 . . . . 83 GLU CA . 18317 1 943 . 1 1 83 83 GLU CB C 13 31.72 0.05 . 1 . . . . 83 GLU CB . 18317 1 944 . 1 1 83 83 GLU CG C 13 35.30 0.05 . 1 . . . . 83 GLU CG . 18317 1 945 . 1 1 83 83 GLU N N 15 120.4 0.1 . 1 . . . . 83 GLU N . 18317 1 946 . 1 1 84 84 ALA H H 1 9.72 0.02 . 1 . . . . 84 ALA H . 18317 1 947 . 1 1 84 84 ALA HA H 1 5.58 0.02 . 1 . . . . 84 ALA HA . 18317 1 948 . 1 1 84 84 ALA HB1 H 1 1.44 0.02 . 1 . . . . 84 ALA HB . 18317 1 949 . 1 1 84 84 ALA HB2 H 1 1.44 0.02 . 1 . . . . 84 ALA HB . 18317 1 950 . 1 1 84 84 ALA HB3 H 1 1.44 0.02 . 1 . . . . 84 ALA HB . 18317 1 951 . 1 1 84 84 ALA C C 13 175.99 0.05 . 1 . . . . 84 ALA C . 18317 1 952 . 1 1 84 84 ALA CA C 13 49.53 0.05 . 1 . . . . 84 ALA CA . 18317 1 953 . 1 1 84 84 ALA CB C 13 23.67 0.05 . 1 . . . . 84 ALA CB . 18317 1 954 . 1 1 84 84 ALA N N 15 129.7 0.1 . 1 . . . . 84 ALA N . 18317 1 955 . 1 1 85 85 LYS H H 1 8.55 0.02 . 1 . . . . 85 LYS H . 18317 1 956 . 1 1 85 85 LYS HA H 1 5.64 0.02 . 1 . . . . 85 LYS HA . 18317 1 957 . 1 1 85 85 LYS HB2 H 1 1.77 0.02 . 2 . . . . 85 LYS HB2 . 18317 1 958 . 1 1 85 85 LYS HB3 H 1 1.77 0.02 . 2 . . . . 85 LYS HB3 . 18317 1 959 . 1 1 85 85 LYS HG2 H 1 1.26 0.02 . 2 . . . . 85 LYS HG2 . 18317 1 960 . 1 1 85 85 LYS HG3 H 1 1.26 0.02 . 2 . . . . 85 LYS HG3 . 18317 1 961 . 1 1 85 85 LYS HD2 H 1 1.52 0.02 . 2 . . . . 85 LYS HD2 . 18317 1 962 . 1 1 85 85 LYS HD3 H 1 1.52 0.02 . 2 . . . . 85 LYS HD3 . 18317 1 963 . 1 1 85 85 LYS HE2 H 1 2.80 0.02 . 2 . . . . 85 LYS HE2 . 18317 1 964 . 1 1 85 85 LYS HE3 H 1 2.80 0.02 . 2 . . . . 85 LYS HE3 . 18317 1 965 . 1 1 85 85 LYS C C 13 176.11 0.05 . 1 . . . . 85 LYS C . 18317 1 966 . 1 1 85 85 LYS CA C 13 55.39 0.05 . 1 . . . . 85 LYS CA . 18317 1 967 . 1 1 85 85 LYS CB C 13 35.20 0.05 . 1 . . . . 85 LYS CB . 18317 1 968 . 1 1 85 85 LYS CG C 13 25.18 0.05 . 1 . . . . 85 LYS CG . 18317 1 969 . 1 1 85 85 LYS CD C 13 29.42 0.05 . 1 . . . . 85 LYS CD . 18317 1 970 . 1 1 85 85 LYS CE C 13 41.58 0.05 . 1 . . . . 85 LYS CE . 18317 1 971 . 1 1 85 85 LYS N N 15 121.2 0.1 . 1 . . . . 85 LYS N . 18317 1 972 . 1 1 86 86 VAL H H 1 9.22 0.02 . 1 . . . . 86 VAL H . 18317 1 973 . 1 1 86 86 VAL HA H 1 5.00 0.02 . 1 . . . . 86 VAL HA . 18317 1 974 . 1 1 86 86 VAL HB H 1 2.22 0.02 . 1 . . . . 86 VAL HB . 18317 1 975 . 1 1 86 86 VAL HG11 H 1 1.36 0.02 . 1 . . . . 86 VAL HG1 . 18317 1 976 . 1 1 86 86 VAL HG12 H 1 1.36 0.02 . 1 . . . . 86 VAL HG1 . 18317 1 977 . 1 1 86 86 VAL HG13 H 1 1.36 0.02 . 1 . . . . 86 VAL HG1 . 18317 1 978 . 1 1 86 86 VAL HG21 H 1 1.10 0.02 . 1 . . . . 86 VAL HG2 . 18317 1 979 . 1 1 86 86 VAL HG22 H 1 1.10 0.02 . 1 . . . . 86 VAL HG2 . 18317 1 980 . 1 1 86 86 VAL HG23 H 1 1.10 0.02 . 1 . . . . 86 VAL HG2 . 18317 1 981 . 1 1 86 86 VAL C C 13 173.29 0.05 . 1 . . . . 86 VAL C . 18317 1 982 . 1 1 86 86 VAL CA C 13 61.13 0.05 . 1 . . . . 86 VAL CA . 18317 1 983 . 1 1 86 86 VAL CB C 13 36.26 0.05 . 1 . . . . 86 VAL CB . 18317 1 984 . 1 1 86 86 VAL CG1 C 13 22.61 0.05 . 1 . . . . 86 VAL CG1 . 18317 1 985 . 1 1 86 86 VAL CG2 C 13 21.52 0.05 . 1 . . . . 86 VAL CG2 . 18317 1 986 . 1 1 86 86 VAL N N 15 124.8 0.1 . 1 . . . . 86 VAL N . 18317 1 987 . 1 1 87 87 TRP H H 1 9.24 0.02 . 1 . . . . 87 TRP H . 18317 1 988 . 1 1 87 87 TRP HA H 1 5.01 0.02 . 1 . . . . 87 TRP HA . 18317 1 989 . 1 1 87 87 TRP HB2 H 1 3.15 0.02 . 1 . . . . 87 TRP HB2 . 18317 1 990 . 1 1 87 87 TRP HB3 H 1 3.48 0.02 . 1 . . . . 87 TRP HB3 . 18317 1 991 . 1 1 87 87 TRP HD1 H 1 7.20 0.02 . 1 . . . . 87 TRP HD1 . 18317 1 992 . 1 1 87 87 TRP HE1 H 1 10.18 0.02 . 1 . . . . 87 TRP HE1 . 18317 1 993 . 1 1 87 87 TRP HE3 H 1 7.73 0.02 . 1 . . . . 87 TRP HE3 . 18317 1 994 . 1 1 87 87 TRP HZ2 H 1 7.46 0.02 . 1 . . . . 87 TRP HZ2 . 18317 1 995 . 1 1 87 87 TRP HZ3 H 1 7.01 0.02 . 1 . . . . 87 TRP HZ3 . 18317 1 996 . 1 1 87 87 TRP HH2 H 1 7.11 0.02 . 1 . . . . 87 TRP HH2 . 18317 1 997 . 1 1 87 87 TRP C C 13 173.80 0.05 . 1 . . . . 87 TRP C . 18317 1 998 . 1 1 87 87 TRP CA C 13 55.05 0.05 . 1 . . . . 87 TRP CA . 18317 1 999 . 1 1 87 87 TRP CB C 13 33.37 0.05 . 1 . . . . 87 TRP CB . 18317 1 1000 . 1 1 87 87 TRP N N 15 131.2 0.1 . 1 . . . . 87 TRP N . 18317 1 1001 . 1 1 87 87 TRP NE1 N 15 128.1 0.1 . 1 . . . . 87 TRP NE1 . 18317 1 1002 . 1 1 88 88 GLU H H 1 9.21 0.02 . 1 . . . . 88 GLU H . 18317 1 1003 . 1 1 88 88 GLU HA H 1 5.36 0.02 . 1 . . . . 88 GLU HA . 18317 1 1004 . 1 1 88 88 GLU C C 13 174.57 0.05 . 1 . . . . 88 GLU C . 18317 1 1005 . 1 1 88 88 GLU CA C 13 54.17 0.05 . 1 . . . . 88 GLU CA . 18317 1 1006 . 1 1 88 88 GLU CB C 13 32.95 0.05 . 1 . . . . 88 GLU CB . 18317 1 1007 . 1 1 88 88 GLU N N 15 128.7 0.1 . 1 . . . . 88 GLU N . 18317 1 1008 . 1 1 89 89 LYS H H 1 8.31 0.02 . 1 . . . . 89 LYS H . 18317 1 1009 . 1 1 89 89 LYS HG2 H 1 1.15 0.02 . 1 . . . . 89 LYS HG2 . 18317 1 1010 . 1 1 89 89 LYS HG3 H 1 1.34 0.02 . 1 . . . . 89 LYS HG3 . 18317 1 1011 . 1 1 89 89 LYS HD2 H 1 1.56 0.02 . 1 . . . . 89 LYS HD2 . 18317 1 1012 . 1 1 89 89 LYS HD3 H 1 1.61 0.02 . 1 . . . . 89 LYS HD3 . 18317 1 1013 . 1 1 89 89 LYS HE2 H 1 2.86 0.02 . 2 . . . . 89 LYS HE2 . 18317 1 1014 . 1 1 89 89 LYS HE3 H 1 2.86 0.02 . 2 . . . . 89 LYS HE3 . 18317 1 1015 . 1 1 89 89 LYS CA C 13 55.02 0.05 . 1 . . . . 89 LYS CA . 18317 1 1016 . 1 1 89 89 LYS CG C 13 25.49 0.05 . 1 . . . . 89 LYS CG . 18317 1 1017 . 1 1 89 89 LYS CD C 13 29.37 0.05 . 1 . . . . 89 LYS CD . 18317 1 1018 . 1 1 89 89 LYS CE C 13 41.71 0.05 . 1 . . . . 89 LYS CE . 18317 1 1019 . 1 1 89 89 LYS N N 15 125.4 0.1 . 1 . . . . 89 LYS N . 18317 1 1020 . 1 1 90 90 VAL H H 1 8.60 0.02 . 1 . . . . 90 VAL H . 18317 1 1021 . 1 1 90 90 VAL HA H 1 3.88 0.02 . 1 . . . . 90 VAL HA . 18317 1 1022 . 1 1 90 90 VAL HB H 1 2.07 0.02 . 1 . . . . 90 VAL HB . 18317 1 1023 . 1 1 90 90 VAL HG11 H 1 1.03 0.02 . 1 . . . . 90 VAL HG1 . 18317 1 1024 . 1 1 90 90 VAL HG12 H 1 1.03 0.02 . 1 . . . . 90 VAL HG1 . 18317 1 1025 . 1 1 90 90 VAL HG13 H 1 1.03 0.02 . 1 . . . . 90 VAL HG1 . 18317 1 1026 . 1 1 90 90 VAL HG21 H 1 0.92 0.02 . 1 . . . . 90 VAL HG2 . 18317 1 1027 . 1 1 90 90 VAL HG22 H 1 0.92 0.02 . 1 . . . . 90 VAL HG2 . 18317 1 1028 . 1 1 90 90 VAL HG23 H 1 0.92 0.02 . 1 . . . . 90 VAL HG2 . 18317 1 1029 . 1 1 90 90 VAL C C 13 178.07 0.05 . 1 . . . . 90 VAL C . 18317 1 1030 . 1 1 90 90 VAL CA C 13 65.59 0.05 . 1 . . . . 90 VAL CA . 18317 1 1031 . 1 1 90 90 VAL CB C 13 31.88 0.05 . 1 . . . . 90 VAL CB . 18317 1 1032 . 1 1 90 90 VAL CG1 C 13 21.35 0.05 . 1 . . . . 90 VAL CG1 . 18317 1 1033 . 1 1 90 90 VAL CG2 C 13 20.67 0.05 . 1 . . . . 90 VAL CG2 . 18317 1 1034 . 1 1 90 90 VAL N N 15 124.9 0.1 . 1 . . . . 90 VAL N . 18317 1 1035 . 1 1 91 91 TRP H H 1 7.60 0.02 . 1 . . . . 91 TRP H . 18317 1 1036 . 1 1 91 91 TRP HA H 1 4.72 0.02 . 1 . . . . 91 TRP HA . 18317 1 1037 . 1 1 91 91 TRP HB2 H 1 3.48 0.02 . 2 . . . . 91 TRP HB2 . 18317 1 1038 . 1 1 91 91 TRP HB3 H 1 3.48 0.02 . 2 . . . . 91 TRP HB3 . 18317 1 1039 . 1 1 91 91 TRP HD1 H 1 7.32 0.02 . 1 . . . . 91 TRP HD1 . 18317 1 1040 . 1 1 91 91 TRP HE1 H 1 10.41 0.02 . 1 . . . . 91 TRP HE1 . 18317 1 1041 . 1 1 91 91 TRP HE3 H 1 7.75 0.02 . 1 . . . . 91 TRP HE3 . 18317 1 1042 . 1 1 91 91 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 91 TRP HZ2 . 18317 1 1043 . 1 1 91 91 TRP HZ3 H 1 7.25 0.02 . 1 . . . . 91 TRP HZ3 . 18317 1 1044 . 1 1 91 91 TRP HH2 H 1 6.98 0.02 . 1 . . . . 91 TRP HH2 . 18317 1 1045 . 1 1 91 91 TRP C C 13 175.85 0.05 . 1 . . . . 91 TRP C . 18317 1 1046 . 1 1 91 91 TRP CA C 13 59.16 0.05 . 1 . . . . 91 TRP CA . 18317 1 1047 . 1 1 91 91 TRP CB C 13 27.95 0.05 . 1 . . . . 91 TRP CB . 18317 1 1048 . 1 1 91 91 TRP N N 15 118.1 0.1 . 1 . . . . 91 TRP N . 18317 1 1049 . 1 1 91 91 TRP NE1 N 15 131.0 0.1 . 1 . . . . 91 TRP NE1 . 18317 1 1050 . 1 1 92 92 GLU H H 1 6.88 0.02 . 1 . . . . 92 GLU H . 18317 1 1051 . 1 1 92 92 GLU HA H 1 5.37 0.02 . 1 . . . . 92 GLU HA . 18317 1 1052 . 1 1 92 92 GLU HB2 H 1 1.89 0.02 . 1 . . . . 92 GLU HB2 . 18317 1 1053 . 1 1 92 92 GLU HB3 H 1 1.99 0.02 . 1 . . . . 92 GLU HB3 . 18317 1 1054 . 1 1 92 92 GLU HG2 H 1 2.17 0.02 . 1 . . . . 92 GLU HG2 . 18317 1 1055 . 1 1 92 92 GLU HG3 H 1 2.21 0.02 . 1 . . . . 92 GLU HG3 . 18317 1 1056 . 1 1 92 92 GLU C C 13 175.33 0.05 . 1 . . . . 92 GLU C . 18317 1 1057 . 1 1 92 92 GLU CA C 13 54.85 0.05 . 1 . . . . 92 GLU CA . 18317 1 1058 . 1 1 92 92 GLU CB C 13 31.48 0.05 . 1 . . . . 92 GLU CB . 18317 1 1059 . 1 1 92 92 GLU CG C 13 36.80 0.05 . 1 . . . . 92 GLU CG . 18317 1 1060 . 1 1 92 92 GLU N N 15 118.0 0.1 . 1 . . . . 92 GLU N . 18317 1 1061 . 1 1 93 93 ASN H H 1 8.07 0.02 . 1 . . . . 93 ASN H . 18317 1 1062 . 1 1 93 93 ASN HA H 1 4.45 0.02 . 1 . . . . 93 ASN HA . 18317 1 1063 . 1 1 93 93 ASN HB2 H 1 2.74 0.02 . 1 . . . . 93 ASN HB2 . 18317 1 1064 . 1 1 93 93 ASN HB3 H 1 3.12 0.02 . 1 . . . . 93 ASN HB3 . 18317 1 1065 . 1 1 93 93 ASN HD21 H 1 7.58 0.02 . 1 . . . . 93 ASN HD21 . 18317 1 1066 . 1 1 93 93 ASN HD22 H 1 6.85 0.02 . 1 . . . . 93 ASN HD22 . 18317 1 1067 . 1 1 93 93 ASN C C 13 173.66 0.05 . 1 . . . . 93 ASN C . 18317 1 1068 . 1 1 93 93 ASN CA C 13 53.83 0.05 . 1 . . . . 93 ASN CA . 18317 1 1069 . 1 1 93 93 ASN CB C 13 37.26 0.05 . 1 . . . . 93 ASN CB . 18317 1 1070 . 1 1 93 93 ASN N N 15 117.5 0.1 . 1 . . . . 93 ASN N . 18317 1 1071 . 1 1 93 93 ASN ND2 N 15 112.0 0.1 . 1 . . . . 93 ASN ND2 . 18317 1 1072 . 1 1 94 94 PHE H H 1 7.28 0.02 . 1 . . . . 94 PHE H . 18317 1 1073 . 1 1 94 94 PHE HA H 1 4.80 0.02 . 1 . . . . 94 PHE HA . 18317 1 1074 . 1 1 94 94 PHE HB2 H 1 2.60 0.02 . 1 . . . . 94 PHE HB2 . 18317 1 1075 . 1 1 94 94 PHE HB3 H 1 2.98 0.02 . 1 . . . . 94 PHE HB3 . 18317 1 1076 . 1 1 94 94 PHE HD1 H 1 6.99 0.02 . 3 . . . . 94 PHE HD1 . 18317 1 1077 . 1 1 94 94 PHE HD2 H 1 6.99 0.02 . 3 . . . . 94 PHE HD2 . 18317 1 1078 . 1 1 94 94 PHE HE1 H 1 7.18 0.02 . 3 . . . . 94 PHE HE1 . 18317 1 1079 . 1 1 94 94 PHE HE2 H 1 7.18 0.02 . 3 . . . . 94 PHE HE2 . 18317 1 1080 . 1 1 94 94 PHE HZ H 1 7.26 0.02 . 1 . . . . 94 PHE HZ . 18317 1 1081 . 1 1 94 94 PHE C C 13 174.02 0.05 . 1 . . . . 94 PHE C . 18317 1 1082 . 1 1 94 94 PHE CA C 13 57.00 0.05 . 1 . . . . 94 PHE CA . 18317 1 1083 . 1 1 94 94 PHE CB C 13 42.55 0.05 . 1 . . . . 94 PHE CB . 18317 1 1084 . 1 1 94 94 PHE CD1 C 13 131.64 0.05 . 3 . . . . 94 PHE CD1 . 18317 1 1085 . 1 1 94 94 PHE CD2 C 13 131.64 0.05 . 3 . . . . 94 PHE CD2 . 18317 1 1086 . 1 1 94 94 PHE CE1 C 13 131.50 0.05 . 3 . . . . 94 PHE CE1 . 18317 1 1087 . 1 1 94 94 PHE CE2 C 13 131.50 0.05 . 3 . . . . 94 PHE CE2 . 18317 1 1088 . 1 1 94 94 PHE N N 15 118.5 0.1 . 1 . . . . 94 PHE N . 18317 1 1089 . 1 1 95 95 LYS H H 1 7.84 0.02 . 1 . . . . 95 LYS H . 18317 1 1090 . 1 1 95 95 LYS HA H 1 5.07 0.02 . 1 . . . . 95 LYS HA . 18317 1 1091 . 1 1 95 95 LYS HB2 H 1 1.05 0.02 . 1 . . . . 95 LYS HB2 . 18317 1 1092 . 1 1 95 95 LYS HB3 H 1 1.32 0.02 . 1 . . . . 95 LYS HB3 . 18317 1 1093 . 1 1 95 95 LYS HG2 H 1 0.69 0.02 . 1 . . . . 95 LYS HG2 . 18317 1 1094 . 1 1 95 95 LYS HG3 H 1 0.94 0.02 . 1 . . . . 95 LYS HG3 . 18317 1 1095 . 1 1 95 95 LYS HD2 H 1 0.67 0.02 . 1 . . . . 95 LYS HD2 . 18317 1 1096 . 1 1 95 95 LYS HD3 H 1 1.03 0.02 . 1 . . . . 95 LYS HD3 . 18317 1 1097 . 1 1 95 95 LYS HE2 H 1 2.12 0.02 . 1 . . . . 95 LYS HE2 . 18317 1 1098 . 1 1 95 95 LYS HE3 H 1 2.38 0.02 . 1 . . . . 95 LYS HE3 . 18317 1 1099 . 1 1 95 95 LYS C C 13 174.34 0.05 . 1 . . . . 95 LYS C . 18317 1 1100 . 1 1 95 95 LYS CA C 13 54.74 0.05 . 1 . . . . 95 LYS CA . 18317 1 1101 . 1 1 95 95 LYS CB C 13 35.19 0.05 . 1 . . . . 95 LYS CB . 18317 1 1102 . 1 1 95 95 LYS CG C 13 22.99 0.05 . 1 . . . . 95 LYS CG . 18317 1 1103 . 1 1 95 95 LYS CD C 13 29.29 0.05 . 1 . . . . 95 LYS CD . 18317 1 1104 . 1 1 95 95 LYS CE C 13 41.06 0.05 . 1 . . . . 95 LYS CE . 18317 1 1105 . 1 1 95 95 LYS N N 15 126.2 0.1 . 1 . . . . 95 LYS N . 18317 1 1106 . 1 1 96 96 GLN H H 1 8.94 0.02 . 1 . . . . 96 GLN H . 18317 1 1107 . 1 1 96 96 GLN HA H 1 4.76 0.02 . 1 . . . . 96 GLN HA . 18317 1 1108 . 1 1 96 96 GLN HB2 H 1 1.68 0.02 . 1 . . . . 96 GLN HB2 . 18317 1 1109 . 1 1 96 96 GLN HB3 H 1 1.89 0.02 . 1 . . . . 96 GLN HB3 . 18317 1 1110 . 1 1 96 96 GLN HG2 H 1 2.35 0.02 . 2 . . . . 96 GLN HG2 . 18317 1 1111 . 1 1 96 96 GLN HG3 H 1 2.35 0.02 . 2 . . . . 96 GLN HG3 . 18317 1 1112 . 1 1 96 96 GLN HE21 H 1 7.79 0.02 . 1 . . . . 96 GLN HE21 . 18317 1 1113 . 1 1 96 96 GLN HE22 H 1 7.07 0.02 . 1 . . . . 96 GLN HE22 . 18317 1 1114 . 1 1 96 96 GLN C C 13 175.58 0.05 . 1 . . . . 96 GLN C . 18317 1 1115 . 1 1 96 96 GLN CA C 13 54.70 0.05 . 1 . . . . 96 GLN CA . 18317 1 1116 . 1 1 96 96 GLN CB C 13 34.30 0.05 . 1 . . . . 96 GLN CB . 18317 1 1117 . 1 1 96 96 GLN CG C 13 36.39 0.05 . 1 . . . . 96 GLN CG . 18317 1 1118 . 1 1 96 96 GLN N N 15 119.2 0.1 . 1 . . . . 96 GLN N . 18317 1 1119 . 1 1 96 96 GLN NE2 N 15 111.8 0.1 . 1 . . . . 96 GLN NE2 . 18317 1 1120 . 1 1 97 97 LEU H H 1 9.90 0.02 . 1 . . . . 97 LEU H . 18317 1 1121 . 1 1 97 97 LEU HA H 1 4.78 0.02 . 1 . . . . 97 LEU HA . 18317 1 1122 . 1 1 97 97 LEU HB2 H 1 1.23 0.02 . 1 . . . . 97 LEU HB2 . 18317 1 1123 . 1 1 97 97 LEU HB3 H 1 2.21 0.02 . 1 . . . . 97 LEU HB3 . 18317 1 1124 . 1 1 97 97 LEU HG H 1 1.69 0.02 . 1 . . . . 97 LEU HG . 18317 1 1125 . 1 1 97 97 LEU HD11 H 1 1.40 0.02 . 1 . . . . 97 LEU HD1 . 18317 1 1126 . 1 1 97 97 LEU HD12 H 1 1.40 0.02 . 1 . . . . 97 LEU HD1 . 18317 1 1127 . 1 1 97 97 LEU HD13 H 1 1.40 0.02 . 1 . . . . 97 LEU HD1 . 18317 1 1128 . 1 1 97 97 LEU HD21 H 1 1.11 0.02 . 1 . . . . 97 LEU HD2 . 18317 1 1129 . 1 1 97 97 LEU HD22 H 1 1.11 0.02 . 1 . . . . 97 LEU HD2 . 18317 1 1130 . 1 1 97 97 LEU HD23 H 1 1.11 0.02 . 1 . . . . 97 LEU HD2 . 18317 1 1131 . 1 1 97 97 LEU C C 13 175.71 0.05 . 1 . . . . 97 LEU C . 18317 1 1132 . 1 1 97 97 LEU CA C 13 56.24 0.05 . 1 . . . . 97 LEU CA . 18317 1 1133 . 1 1 97 97 LEU CB C 13 43.20 0.05 . 1 . . . . 97 LEU CB . 18317 1 1134 . 1 1 97 97 LEU CG C 13 26.83 0.05 . 1 . . . . 97 LEU CG . 18317 1 1135 . 1 1 97 97 LEU CD1 C 13 24.41 0.05 . 1 . . . . 97 LEU CD1 . 18317 1 1136 . 1 1 97 97 LEU CD2 C 13 26.21 0.05 . 1 . . . . 97 LEU CD2 . 18317 1 1137 . 1 1 97 97 LEU N N 15 131.1 0.1 . 1 . . . . 97 LEU N . 18317 1 1138 . 1 1 98 98 GLN H H 1 9.55 0.02 . 1 . . . . 98 GLN H . 18317 1 1139 . 1 1 98 98 GLN HA H 1 4.71 0.02 . 1 . . . . 98 GLN HA . 18317 1 1140 . 1 1 98 98 GLN HB2 H 1 2.00 0.02 . 1 . . . . 98 GLN HB2 . 18317 1 1141 . 1 1 98 98 GLN HB3 H 1 2.33 0.02 . 1 . . . . 98 GLN HB3 . 18317 1 1142 . 1 1 98 98 GLN HG2 H 1 2.48 0.02 . 2 . . . . 98 GLN HG2 . 18317 1 1143 . 1 1 98 98 GLN HG3 H 1 2.48 0.02 . 2 . . . . 98 GLN HG3 . 18317 1 1144 . 1 1 98 98 GLN HE21 H 1 7.26 0.02 . 1 . . . . 98 GLN HE21 . 18317 1 1145 . 1 1 98 98 GLN HE22 H 1 7.19 0.02 . 1 . . . . 98 GLN HE22 . 18317 1 1146 . 1 1 98 98 GLN C C 13 175.96 0.05 . 1 . . . . 98 GLN C . 18317 1 1147 . 1 1 98 98 GLN CA C 13 56.63 0.05 . 1 . . . . 98 GLN CA . 18317 1 1148 . 1 1 98 98 GLN CB C 13 30.57 0.05 . 1 . . . . 98 GLN CB . 18317 1 1149 . 1 1 98 98 GLN CG C 13 34.82 0.05 . 1 . . . . 98 GLN CG . 18317 1 1150 . 1 1 98 98 GLN N N 15 127.8 0.1 . 1 . . . . 98 GLN N . 18317 1 1151 . 1 1 98 98 GLN NE2 N 15 111.8 0.1 . 1 . . . . 98 GLN NE2 . 18317 1 1152 . 1 1 99 99 SER H H 1 7.63 0.02 . 1 . . . . 99 SER H . 18317 1 1153 . 1 1 99 99 SER HB2 H 1 3.91 0.02 . 1 . . . . 99 SER HB2 . 18317 1 1154 . 1 1 99 99 SER HB3 H 1 3.98 0.02 . 1 . . . . 99 SER HB3 . 18317 1 1155 . 1 1 99 99 SER C C 13 173.01 0.05 . 1 . . . . 99 SER C . 18317 1 1156 . 1 1 99 99 SER CA C 13 58.31 0.05 . 1 . . . . 99 SER CA . 18317 1 1157 . 1 1 99 99 SER CB C 13 64.45 0.05 . 1 . . . . 99 SER CB . 18317 1 1158 . 1 1 99 99 SER N N 15 109.8 0.1 . 1 . . . . 99 SER N . 18317 1 1159 . 1 1 100 100 PHE H H 1 9.02 0.02 . 1 . . . . 100 PHE H . 18317 1 1160 . 1 1 100 100 PHE HA H 1 5.15 0.02 . 1 . . . . 100 PHE HA . 18317 1 1161 . 1 1 100 100 PHE HB2 H 1 2.80 0.02 . 1 . . . . 100 PHE HB2 . 18317 1 1162 . 1 1 100 100 PHE HB3 H 1 3.55 0.02 . 1 . . . . 100 PHE HB3 . 18317 1 1163 . 1 1 100 100 PHE HD1 H 1 6.50 0.02 . 3 . . . . 100 PHE HD1 . 18317 1 1164 . 1 1 100 100 PHE HD2 H 1 6.50 0.02 . 3 . . . . 100 PHE HD2 . 18317 1 1165 . 1 1 100 100 PHE HE1 H 1 6.12 0.02 . 3 . . . . 100 PHE HE1 . 18317 1 1166 . 1 1 100 100 PHE HE2 H 1 6.12 0.02 . 3 . . . . 100 PHE HE2 . 18317 1 1167 . 1 1 100 100 PHE HZ H 1 6.39 0.02 . 1 . . . . 100 PHE HZ . 18317 1 1168 . 1 1 100 100 PHE C C 13 174.05 0.05 . 1 . . . . 100 PHE C . 18317 1 1169 . 1 1 100 100 PHE CA C 13 59.20 0.05 . 1 . . . . 100 PHE CA . 18317 1 1170 . 1 1 100 100 PHE CB C 13 41.81 0.05 . 1 . . . . 100 PHE CB . 18317 1 1171 . 1 1 100 100 PHE CD1 C 13 131.21 0.05 . 3 . . . . 100 PHE CD1 . 18317 1 1172 . 1 1 100 100 PHE CD2 C 13 131.21 0.05 . 3 . . . . 100 PHE CD2 . 18317 1 1173 . 1 1 100 100 PHE CE1 C 13 130.56 0.05 . 3 . . . . 100 PHE CE1 . 18317 1 1174 . 1 1 100 100 PHE CE2 C 13 130.56 0.05 . 3 . . . . 100 PHE CE2 . 18317 1 1175 . 1 1 100 100 PHE N N 15 128.0 0.1 . 1 . . . . 100 PHE N . 18317 1 1176 . 1 1 101 101 GLN H H 1 8.73 0.02 . 1 . . . . 101 GLN H . 18317 1 1177 . 1 1 101 101 GLN HA H 1 5.33 0.02 . 1 . . . . 101 GLN HA . 18317 1 1178 . 1 1 101 101 GLN HB2 H 1 2.50 0.02 . 2 . . . . 101 GLN HB2 . 18317 1 1179 . 1 1 101 101 GLN HB3 H 1 2.50 0.02 . 2 . . . . 101 GLN HB3 . 18317 1 1180 . 1 1 101 101 GLN HG2 H 1 2.06 0.02 . 1 . . . . 101 GLN HG2 . 18317 1 1181 . 1 1 101 101 GLN HG3 H 1 2.29 0.02 . 1 . . . . 101 GLN HG3 . 18317 1 1182 . 1 1 101 101 GLN HE21 H 1 7.79 0.02 . 1 . . . . 101 GLN HE21 . 18317 1 1183 . 1 1 101 101 GLN HE22 H 1 7.01 0.02 . 1 . . . . 101 GLN HE22 . 18317 1 1184 . 1 1 101 101 GLN CA C 13 52.91 0.05 . 1 . . . . 101 GLN CA . 18317 1 1185 . 1 1 101 101 GLN CB C 13 33.04 0.05 . 1 . . . . 101 GLN CB . 18317 1 1186 . 1 1 101 101 GLN CG C 13 31.98 0.05 . 1 . . . . 101 GLN CG . 18317 1 1187 . 1 1 101 101 GLN N N 15 124.6 0.1 . 1 . . . . 101 GLN N . 18317 1 1188 . 1 1 101 101 GLN NE2 N 15 111.9 0.1 . 1 . . . . 101 GLN NE2 . 18317 1 1189 . 1 1 102 102 PRO HA H 1 4.51 0.02 . 1 . . . . 102 PRO HA . 18317 1 1190 . 1 1 102 102 PRO HB2 H 1 2.00 0.02 . 1 . . . . 102 PRO HB2 . 18317 1 1191 . 1 1 102 102 PRO HB3 H 1 2.43 0.02 . 1 . . . . 102 PRO HB3 . 18317 1 1192 . 1 1 102 102 PRO HG2 H 1 2.10 0.02 . 1 . . . . 102 PRO HG2 . 18317 1 1193 . 1 1 102 102 PRO HG3 H 1 2.12 0.02 . 1 . . . . 102 PRO HG3 . 18317 1 1194 . 1 1 102 102 PRO HD2 H 1 3.59 0.02 . 1 . . . . 102 PRO HD2 . 18317 1 1195 . 1 1 102 102 PRO HD3 H 1 3.87 0.02 . 1 . . . . 102 PRO HD3 . 18317 1 1196 . 1 1 102 102 PRO C C 13 176.98 0.05 . 1 . . . . 102 PRO C . 18317 1 1197 . 1 1 102 102 PRO CA C 13 63.10 0.05 . 1 . . . . 102 PRO CA . 18317 1 1198 . 1 1 102 102 PRO CB C 13 31.87 0.05 . 1 . . . . 102 PRO CB . 18317 1 1199 . 1 1 102 102 PRO CG C 13 27.71 0.05 . 1 . . . . 102 PRO CG . 18317 1 1200 . 1 1 102 102 PRO CD C 13 50.45 0.05 . 1 . . . . 102 PRO CD . 18317 1 1201 . 1 1 103 103 VAL H H 1 8.13 0.02 . 1 . . . . 103 VAL H . 18317 1 1202 . 1 1 103 103 VAL HA H 1 4.21 0.02 . 1 . . . . 103 VAL HA . 18317 1 1203 . 1 1 103 103 VAL HB H 1 2.00 0.02 . 1 . . . . 103 VAL HB . 18317 1 1204 . 1 1 103 103 VAL HG11 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 18317 1 1205 . 1 1 103 103 VAL HG12 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 18317 1 1206 . 1 1 103 103 VAL HG13 H 1 0.92 0.02 . 1 . . . . 103 VAL HG1 . 18317 1 1207 . 1 1 103 103 VAL HG21 H 1 0.85 0.02 . 1 . . . . 103 VAL HG2 . 18317 1 1208 . 1 1 103 103 VAL HG22 H 1 0.85 0.02 . 1 . . . . 103 VAL HG2 . 18317 1 1209 . 1 1 103 103 VAL HG23 H 1 0.85 0.02 . 1 . . . . 103 VAL HG2 . 18317 1 1210 . 1 1 103 103 VAL C C 13 176.21 0.05 . 1 . . . . 103 VAL C . 18317 1 1211 . 1 1 103 103 VAL CA C 13 62.19 0.05 . 1 . . . . 103 VAL CA . 18317 1 1212 . 1 1 103 103 VAL CB C 13 33.12 0.05 . 1 . . . . 103 VAL CB . 18317 1 1213 . 1 1 103 103 VAL CG1 C 13 21.29 0.05 . 1 . . . . 103 VAL CG1 . 18317 1 1214 . 1 1 103 103 VAL CG2 C 13 21.13 0.05 . 1 . . . . 103 VAL CG2 . 18317 1 1215 . 1 1 103 103 VAL N N 15 119.9 0.1 . 1 . . . . 103 VAL N . 18317 1 1216 . 1 1 104 104 GLY H H 1 8.22 0.02 . 1 . . . . 104 GLY H . 18317 1 1217 . 1 1 104 104 GLY HA2 H 1 4.05 0.02 . 1 . . . . 104 GLY HA2 . 18317 1 1218 . 1 1 104 104 GLY HA3 H 1 4.12 0.02 . 1 . . . . 104 GLY HA3 . 18317 1 1219 . 1 1 104 104 GLY C C 13 173.11 0.05 . 1 . . . . 104 GLY C . 18317 1 1220 . 1 1 104 104 GLY CA C 13 45.26 0.05 . 1 . . . . 104 GLY CA . 18317 1 1221 . 1 1 104 104 GLY N N 15 111.2 0.1 . 1 . . . . 104 GLY N . 18317 1 1222 . 1 1 105 105 ASP H H 1 8.33 0.02 . 1 . . . . 105 ASP H . 18317 1 1223 . 1 1 105 105 ASP HA H 1 4.74 0.02 . 1 . . . . 105 ASP HA . 18317 1 1224 . 1 1 105 105 ASP HB2 H 1 2.63 0.02 . 1 . . . . 105 ASP HB2 . 18317 1 1225 . 1 1 105 105 ASP HB3 H 1 2.84 0.02 . 1 . . . . 105 ASP HB3 . 18317 1 1226 . 1 1 105 105 ASP C C 13 175.03 0.05 . 1 . . . . 105 ASP C . 18317 1 1227 . 1 1 105 105 ASP CA C 13 54.67 0.05 . 1 . . . . 105 ASP CA . 18317 1 1228 . 1 1 105 105 ASP CB C 13 41.70 0.05 . 1 . . . . 105 ASP CB . 18317 1 1229 . 1 1 105 105 ASP N N 15 120.8 0.1 . 1 . . . . 105 ASP N . 18317 1 1230 . 1 1 106 106 ALA H H 1 7.85 0.02 . 1 . . . . 106 ALA H . 18317 1 1231 . 1 1 106 106 ALA HA H 1 4.19 0.02 . 1 . . . . 106 ALA HA . 18317 1 1232 . 1 1 106 106 ALA HB1 H 1 1.33 0.02 . 1 . . . . 106 ALA HB . 18317 1 1233 . 1 1 106 106 ALA HB2 H 1 1.33 0.02 . 1 . . . . 106 ALA HB . 18317 1 1234 . 1 1 106 106 ALA HB3 H 1 1.33 0.02 . 1 . . . . 106 ALA HB . 18317 1 1235 . 1 1 106 106 ALA CA C 13 53.58 0.05 . 1 . . . . 106 ALA CA . 18317 1 1236 . 1 1 106 106 ALA CB C 13 20.39 0.05 . 1 . . . . 106 ALA CB . 18317 1 1237 . 1 1 106 106 ALA N N 15 128.9 0.1 . 1 . . . . 106 ALA N . 18317 1 stop_ save_