data_18365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18365 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for Hen Egg White Lysozyme mutant WT-ALA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-29 _Entry.Accession_date 2012-03-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Friederike Sziegat . . . 18365 2 Robert Silvers . . . 18365 3 Martin Haehnke . . . 18365 4 Malene Jensen . R. . 18365 5 Martin Blackledge . . . 18365 6 Julia Wirmer-Bartoschek . . . 18365 7 Harald Schwalbe . . . 18365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 18365 '15N chemical shifts' 125 18365 '1H chemical shifts' 469 18365 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-03-29 update BMRB 'update entry citation' 18365 1 . . 2012-04-18 2012-03-29 original author 'original release' 18365 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18366 W28G 18365 BMRB 18367 W62G 18365 BMRB 18368 W108G 18365 BMRB 18369 W111G 18365 BMRB 18370 W123G 18365 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22468860 _Citation.Full_citation . _Citation.Title 'Disentangling the coil: modulation of conformational and dynamic properties by site-directed mutation in the non-native state of hen egg white lysozyme.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 16 _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 3361 _Citation.Page_last 3372 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Friederike Sziegat . . . 18365 1 2 Robert Silvers . . . 18365 1 3 Martin Hahnke . . . 18365 1 4 'Malene Ringkjbing' Jensen . . . 18365 1 5 Martin Blackledge . . . 18365 1 6 Julia Wirmer-Bartoschek . . . 18365 1 7 Harald Schwalbe . . . 18365 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR spectroscopy' 18365 1 SAXS 18365 1 'Structure and Dynamics' 18365 1 'Unfolded Proteins' 18365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18365 _Assembly.ID 1 _Assembly.Name WT-ALA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 WT-ALA 1 $WT-ALA A . yes denatured no no . . . 18365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WT-ALA _Entity.Sf_category entity _Entity.Sf_framecode WT-ALA _Entity.Entry_ID 18365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WT-ALA _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 ; KVFGRAELAAAMKRHGLDNY RGYSLGNWVAAAKFESNFNT QATNRNTDGSTDYGILQINS RWWANDGRTPGSRNLANIPA SALLSSDITASVNAAKKIVS DGNGMNAWVAWRNRAKGTDV QAWIRGARL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11051 . 0SS-variant . . . . . 100.00 130 99.22 100.00 8.28e-85 . . . . 18365 1 2 no BMRB 11052 . 2SS(6-127_64-80) . . . . . 100.00 130 96.90 96.90 6.38e-84 . . . . 18365 1 3 no BMRB 11459 . 1SS[6-127] . . . . . 100.00 130 98.45 98.45 1.34e-84 . . . . 18365 1 4 no BMRB 11460 . 1SS[30-115] . . . . . 100.00 130 97.67 98.45 3.86e-84 . . . . 18365 1 5 no BMRB 11461 . 1SS[64-80] . . . . . 100.00 130 97.67 98.45 3.86e-84 . . . . 18365 1 6 no BMRB 11462 . 1SS[76-94] . . . . . 100.00 130 97.67 98.45 3.86e-84 . . . . 18365 1 7 no BMRB 15198 . all-Ala-Hen_egg_white_lysoyzme . . . . . 100.00 130 100.00 100.00 3.61e-85 . . . . 18365 1 8 no BMRB 18366 . W28G . . . . . 100.00 129 99.22 99.22 9.66e-84 . . . . 18365 1 9 no BMRB 18367 . W62G . . . . . 100.00 129 99.22 99.22 9.66e-84 . . . . 18365 1 10 no BMRB 18368 . W108G . . . . . 100.00 129 99.22 99.22 9.66e-84 . . . . 18365 1 11 no BMRB 18369 . W111G . . . . . 100.00 129 99.22 99.22 9.66e-84 . . . . 18365 1 12 no BMRB 18370 . W123G . . . . . 100.00 129 99.22 99.22 9.66e-84 . . . . 18365 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 . LYS . 18365 1 2 . VAL . 18365 1 3 . PHE . 18365 1 4 . GLY . 18365 1 5 . ARG . 18365 1 6 . ALA . 18365 1 7 . GLU . 18365 1 8 . LEU . 18365 1 9 . ALA . 18365 1 10 . ALA . 18365 1 11 . ALA . 18365 1 12 . MET . 18365 1 13 . LYS . 18365 1 14 . ARG . 18365 1 15 . HIS . 18365 1 16 . GLY . 18365 1 17 . LEU . 18365 1 18 . ASP . 18365 1 19 . ASN . 18365 1 20 . TYR . 18365 1 21 . ARG . 18365 1 22 . GLY . 18365 1 23 . TYR . 18365 1 24 . SER . 18365 1 25 . LEU . 18365 1 26 . GLY . 18365 1 27 . ASN . 18365 1 28 . TRP . 18365 1 29 . VAL . 18365 1 30 . ALA . 18365 1 31 . ALA . 18365 1 32 . ALA . 18365 1 33 . LYS . 18365 1 34 . PHE . 18365 1 35 . GLU . 18365 1 36 . SER . 18365 1 37 . ASN . 18365 1 38 . PHE . 18365 1 39 . ASN . 18365 1 40 . THR . 18365 1 41 . GLN . 18365 1 42 . ALA . 18365 1 43 . THR . 18365 1 44 . ASN . 18365 1 45 . ARG . 18365 1 46 . ASN . 18365 1 47 . THR . 18365 1 48 . ASP . 18365 1 49 . GLY . 18365 1 50 . SER . 18365 1 51 . THR . 18365 1 52 . ASP . 18365 1 53 . TYR . 18365 1 54 . GLY . 18365 1 55 . ILE . 18365 1 56 . LEU . 18365 1 57 . GLN . 18365 1 58 . ILE . 18365 1 59 . ASN . 18365 1 60 . SER . 18365 1 61 . ARG . 18365 1 62 . TRP . 18365 1 63 . TRP . 18365 1 64 . ALA . 18365 1 65 . ASN . 18365 1 66 . ASP . 18365 1 67 . GLY . 18365 1 68 . ARG . 18365 1 69 . THR . 18365 1 70 . PRO . 18365 1 71 . GLY . 18365 1 72 . SER . 18365 1 73 . ARG . 18365 1 74 . ASN . 18365 1 75 . LEU . 18365 1 76 . ALA . 18365 1 77 . ASN . 18365 1 78 . ILE . 18365 1 79 . PRO . 18365 1 80 . ALA . 18365 1 81 . SER . 18365 1 82 . ALA . 18365 1 83 . LEU . 18365 1 84 . LEU . 18365 1 85 . SER . 18365 1 86 . SER . 18365 1 87 . ASP . 18365 1 88 . ILE . 18365 1 89 . THR . 18365 1 90 . ALA . 18365 1 91 . SER . 18365 1 92 . VAL . 18365 1 93 . ASN . 18365 1 94 . ALA . 18365 1 95 . ALA . 18365 1 96 . LYS . 18365 1 97 . LYS . 18365 1 98 . ILE . 18365 1 99 . VAL . 18365 1 100 . SER . 18365 1 101 . ASP . 18365 1 102 . GLY . 18365 1 103 . ASN . 18365 1 104 . GLY . 18365 1 105 . MET . 18365 1 106 . ASN . 18365 1 107 . ALA . 18365 1 108 . TRP . 18365 1 109 . VAL . 18365 1 110 . ALA . 18365 1 111 . TRP . 18365 1 112 . ARG . 18365 1 113 . ASN . 18365 1 114 . ARG . 18365 1 115 . ALA . 18365 1 116 . LYS . 18365 1 117 . GLY . 18365 1 118 . THR . 18365 1 119 . ASP . 18365 1 120 . VAL . 18365 1 121 . GLN . 18365 1 122 . ALA . 18365 1 123 . TRP . 18365 1 124 . ILE . 18365 1 125 . ARG . 18365 1 126 . GLY . 18365 1 127 . ALA . 18365 1 128 . ARG . 18365 1 129 . LEU . 18365 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 18365 1 . VAL 2 2 18365 1 . PHE 3 3 18365 1 . GLY 4 4 18365 1 . ARG 5 5 18365 1 . ALA 6 6 18365 1 . GLU 7 7 18365 1 . LEU 8 8 18365 1 . ALA 9 9 18365 1 . ALA 10 10 18365 1 . ALA 11 11 18365 1 . MET 12 12 18365 1 . LYS 13 13 18365 1 . ARG 14 14 18365 1 . HIS 15 15 18365 1 . GLY 16 16 18365 1 . LEU 17 17 18365 1 . ASP 18 18 18365 1 . ASN 19 19 18365 1 . TYR 20 20 18365 1 . ARG 21 21 18365 1 . GLY 22 22 18365 1 . TYR 23 23 18365 1 . SER 24 24 18365 1 . LEU 25 25 18365 1 . GLY 26 26 18365 1 . ASN 27 27 18365 1 . TRP 28 28 18365 1 . VAL 29 29 18365 1 . ALA 30 30 18365 1 . ALA 31 31 18365 1 . ALA 32 32 18365 1 . LYS 33 33 18365 1 . PHE 34 34 18365 1 . GLU 35 35 18365 1 . SER 36 36 18365 1 . ASN 37 37 18365 1 . PHE 38 38 18365 1 . ASN 39 39 18365 1 . THR 40 40 18365 1 . GLN 41 41 18365 1 . ALA 42 42 18365 1 . THR 43 43 18365 1 . ASN 44 44 18365 1 . ARG 45 45 18365 1 . ASN 46 46 18365 1 . THR 47 47 18365 1 . ASP 48 48 18365 1 . GLY 49 49 18365 1 . SER 50 50 18365 1 . THR 51 51 18365 1 . ASP 52 52 18365 1 . TYR 53 53 18365 1 . GLY 54 54 18365 1 . ILE 55 55 18365 1 . LEU 56 56 18365 1 . GLN 57 57 18365 1 . ILE 58 58 18365 1 . ASN 59 59 18365 1 . SER 60 60 18365 1 . ARG 61 61 18365 1 . TRP 62 62 18365 1 . TRP 63 63 18365 1 . ALA 64 64 18365 1 . ASN 65 65 18365 1 . ASP 66 66 18365 1 . GLY 67 67 18365 1 . ARG 68 68 18365 1 . THR 69 69 18365 1 . PRO 70 70 18365 1 . GLY 71 71 18365 1 . SER 72 72 18365 1 . ARG 73 73 18365 1 . ASN 74 74 18365 1 . LEU 75 75 18365 1 . ALA 76 76 18365 1 . ASN 77 77 18365 1 . ILE 78 78 18365 1 . PRO 79 79 18365 1 . ALA 80 80 18365 1 . SER 81 81 18365 1 . ALA 82 82 18365 1 . LEU 83 83 18365 1 . LEU 84 84 18365 1 . SER 85 85 18365 1 . SER 86 86 18365 1 . ASP 87 87 18365 1 . ILE 88 88 18365 1 . THR 89 89 18365 1 . ALA 90 90 18365 1 . SER 91 91 18365 1 . VAL 92 92 18365 1 . ASN 93 93 18365 1 . ALA 94 94 18365 1 . ALA 95 95 18365 1 . LYS 96 96 18365 1 . LYS 97 97 18365 1 . ILE 98 98 18365 1 . VAL 99 99 18365 1 . SER 100 100 18365 1 . ASP 101 101 18365 1 . GLY 102 102 18365 1 . ASN 103 103 18365 1 . GLY 104 104 18365 1 . MET 105 105 18365 1 . ASN 106 106 18365 1 . ALA 107 107 18365 1 . TRP 108 108 18365 1 . VAL 109 109 18365 1 . ALA 110 110 18365 1 . TRP 111 111 18365 1 . ARG 112 112 18365 1 . ASN 113 113 18365 1 . ARG 114 114 18365 1 . ALA 115 115 18365 1 . LYS 116 116 18365 1 . GLY 117 117 18365 1 . THR 118 118 18365 1 . ASP 119 119 18365 1 . VAL 120 120 18365 1 . GLN 121 121 18365 1 . ALA 122 122 18365 1 . TRP 123 123 18365 1 . ILE 124 124 18365 1 . ARG 125 125 18365 1 . GLY 126 126 18365 1 . ALA 127 127 18365 1 . ARG 128 128 18365 1 . LEU 129 129 18365 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 18365 _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 $WT-ALA . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 18365 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 18365 _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 $WT-ALA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET11a . . . . . . 18365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18365 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WT-ALA '[U-99% 15N]' . . 1 $WT-ALA . . 300 . . uM . . . . 18365 1 2 H2O 'natural abundance' . . . . . . 49.95 . . M . . . . 18365 1 3 D2O [U-2H] . . . . . . 5.55 . . M . . . . 18365 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18365 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WT-ALA '[U-99% 13C; U-99% 15N]' . . 1 $WT-ALA . . 300 . . uM . . . . 18365 2 2 H2O 'natural abundance' . . . . . . 49,95 . . M . . . . 18365 2 3 D2O [U-2H] . . . . . . 5,55 . . M . . . . 18365 2 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 18365 _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 2.0 . pH 18365 1 pressure 1 . atm 18365 1 temperature 293 . K 18365 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18365 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18365 1 processing 18365 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18365 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18365 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18365 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 18365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18365 _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 DRX . 600 . . . 18365 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 18365 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18365 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18365 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18365 1 4 '3D HN(COCA)HAHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18365 1 5 '3D HN(CO)HB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18365 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 18365 _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 . . . . . . . . . 18365 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18365 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18365 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 18365 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18365 1 2 '3D 1H-15N NOESY' . . . 18365 1 3 '3D HNCACB' . . . 18365 1 4 '3D HN(COCA)HAHB' . . . 18365 1 5 '3D HN(CO)HB' . . . 18365 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 LYS H H 1 8.71 0.014 . 1 . . . . 1 LYS H . 18365 1 2 . 1 1 1 1 LYS HA H 1 4.41 0.014 . 1 . . . . 1 LYS HA . 18365 1 3 . 1 1 1 1 LYS HB2 H 1 1.25 0.014 . 1 . . . . 1 LYS QB . 18365 1 4 . 1 1 1 1 LYS HB3 H 1 1.25 0.014 . 1 . . . . 1 LYS QB . 18365 1 5 . 1 1 1 1 LYS C C 13 173.33 0.590 . 1 . . . . 1 LYS C . 18365 1 6 . 1 1 1 1 LYS CA C 13 56.23 0.590 . 1 . . . . 1 LYS CA . 18365 1 7 . 1 1 1 1 LYS CB C 13 32.82 0.590 . 1 . . . . 1 LYS CB . 18365 1 8 . 1 1 1 1 LYS N N 15 126.11 0.380 . 1 . . . . 1 LYS N . 18365 1 9 . 1 1 2 2 VAL H H 1 8.25 0.014 . 1 . . . . 2 VAL H . 18365 1 10 . 1 1 2 2 VAL HA H 1 4.14 0.014 . 1 . . . . 2 VAL HA . 18365 1 11 . 1 1 2 2 VAL HB H 1 1.53 0.014 . 1 . . . . 2 VAL HB . 18365 1 12 . 1 1 2 2 VAL C C 13 173.41 0.590 . 1 . . . . 2 VAL C . 18365 1 13 . 1 1 2 2 VAL CA C 13 61.83 0.590 . 1 . . . . 2 VAL CA . 18365 1 14 . 1 1 2 2 VAL CB C 13 32.79 0.590 . 1 . . . . 2 VAL CB . 18365 1 15 . 1 1 2 2 VAL N N 15 123.71 0.380 . 1 . . . . 2 VAL N . 18365 1 16 . 1 1 3 3 PHE H H 1 8.51 0.014 . 1 . . . . 3 PHE H . 18365 1 17 . 1 1 3 3 PHE HA H 1 4.7 0.014 . 1 . . . . 3 PHE HA . 18365 1 18 . 1 1 3 3 PHE HB2 H 1 2.55 0.014 . 2 . . . . 3 PHE HB2 . 18365 1 19 . 1 1 3 3 PHE HB3 H 1 2.69 0.014 . 2 . . . . 3 PHE HB3 . 18365 1 20 . 1 1 3 3 PHE C C 13 173.95 0.590 . 1 . . . . 3 PHE C . 18365 1 21 . 1 1 3 3 PHE CA C 13 57.5 0.590 . 1 . . . . 3 PHE CA . 18365 1 22 . 1 1 3 3 PHE CB C 13 39.8 0.590 . 1 . . . . 3 PHE CB . 18365 1 23 . 1 1 3 3 PHE N N 15 126.24 0.380 . 1 . . . . 3 PHE N . 18365 1 24 . 1 1 4 4 GLY H H 1 8.36 0.014 . 1 . . . . 4 GLY H . 18365 1 25 . 1 1 4 4 GLY HA2 H 1 3.99 0.014 . 1 . . . . 4 GLY QA . 18365 1 26 . 1 1 4 4 GLY HA3 H 1 3.99 0.014 . 1 . . . . 4 GLY QA . 18365 1 27 . 1 1 4 4 GLY C C 13 171.91 0.590 . 1 . . . . 4 GLY C . 18365 1 28 . 1 1 4 4 GLY CA C 13 45.02 0.590 . 1 . . . . 4 GLY CA . 18365 1 29 . 1 1 4 4 GLY N N 15 111.82 0.380 . 1 . . . . 4 GLY N . 18365 1 30 . 1 1 5 5 ARG H H 1 8.31 0.014 . 1 . . . . 5 ARG H . 18365 1 31 . 1 1 5 5 ARG HA H 1 4.25 0.014 . 1 . . . . 5 ARG HA . 18365 1 32 . 1 1 5 5 ARG HB2 H 1 1.42 0.014 . 2 . . . . 5 ARG HB2 . 18365 1 33 . 1 1 5 5 ARG HB3 H 1 1.86 0.014 . 2 . . . . 5 ARG HB3 . 18365 1 34 . 1 1 5 5 ARG C C 13 174.81 0.590 . 1 . . . . 5 ARG C . 18365 1 35 . 1 1 5 5 ARG CA C 13 57.02 0.590 . 1 . . . . 5 ARG CA . 18365 1 36 . 1 1 5 5 ARG CB C 13 30.31 0.590 . 1 . . . . 5 ARG CB . 18365 1 37 . 1 1 5 5 ARG N N 15 122.25 0.380 . 1 . . . . 5 ARG N . 18365 1 38 . 1 1 6 6 ALA H H 1 8.49 0.014 . 1 . . . . 6 ALA H . 18365 1 39 . 1 1 6 6 ALA HA H 1 4.29 0.014 . 1 . . . . 6 ALA HA . 18365 1 40 . 1 1 6 6 ALA HB1 H 1 0.97 0.014 . 1 . . . . 6 ALA MB . 18365 1 41 . 1 1 6 6 ALA HB2 H 1 0.97 0.014 . 1 . . . . 6 ALA MB . 18365 1 42 . 1 1 6 6 ALA HB3 H 1 0.97 0.014 . 1 . . . . 6 ALA MB . 18365 1 43 . 1 1 6 6 ALA C C 13 176.44 0.590 . 1 . . . . 6 ALA C . 18365 1 44 . 1 1 6 6 ALA CA C 13 53.22 0.590 . 1 . . . . 6 ALA CA . 18365 1 45 . 1 1 6 6 ALA CB C 13 18.52 0.590 . 1 . . . . 6 ALA CB . 18365 1 46 . 1 1 6 6 ALA N N 15 125.48 0.380 . 1 . . . . 6 ALA N . 18365 1 47 . 1 1 7 7 GLU H H 1 8.22 0.014 . 1 . . . . 7 GLU H . 18365 1 48 . 1 1 7 7 GLU HA H 1 4.3 0.014 . 1 . . . . 7 GLU HA . 18365 1 49 . 1 1 7 7 GLU HB2 H 1 1.57 0.014 . 1 . . . . 7 GLU QB . 18365 1 50 . 1 1 7 7 GLU HB3 H 1 1.57 0.014 . 1 . . . . 7 GLU QB . 18365 1 51 . 1 1 7 7 GLU C C 13 174.69 0.590 . 1 . . . . 7 GLU C . 18365 1 52 . 1 1 7 7 GLU CA C 13 56.62 0.590 . 1 . . . . 7 GLU CA . 18365 1 53 . 1 1 7 7 GLU CB C 13 28.01 0.590 . 1 . . . . 7 GLU CB . 18365 1 54 . 1 1 7 7 GLU N N 15 120.72 0.380 . 1 . . . . 7 GLU N . 18365 1 55 . 1 1 8 8 LEU H H 1 8.17 0.014 . 1 . . . . 8 LEU H . 18365 1 56 . 1 1 8 8 LEU C C 13 175.66 0.590 . 1 . . . . 8 LEU C . 18365 1 57 . 1 1 8 8 LEU CA C 13 55.85 0.590 . 1 . . . . 8 LEU CA . 18365 1 58 . 1 1 8 8 LEU CB C 13 41.92 0.590 . 1 . . . . 8 LEU CB . 18365 1 59 . 1 1 8 8 LEU N N 15 124.22 0.380 . 1 . . . . 8 LEU N . 18365 1 60 . 1 1 9 9 ALA HB1 H 1 0.98 0.014 . 1 . . . . 9 ALA MB . 18365 1 61 . 1 1 9 9 ALA HB2 H 1 0.98 0.014 . 1 . . . . 9 ALA MB . 18365 1 62 . 1 1 9 9 ALA HB3 H 1 0.98 0.014 . 1 . . . . 9 ALA MB . 18365 1 63 . 1 1 10 10 ALA H H 1 8.04 0.014 . 1 . . . . 10 ALA H . 18365 1 64 . 1 1 10 10 ALA HA H 1 4.24 0.014 . 1 . . . . 10 ALA HA . 18365 1 65 . 1 1 10 10 ALA HB1 H 1 0.98 0.014 . 1 . . . . 10 ALA MB . 18365 1 66 . 1 1 10 10 ALA HB2 H 1 0.98 0.014 . 1 . . . . 10 ALA MB . 18365 1 67 . 1 1 10 10 ALA HB3 H 1 0.98 0.014 . 1 . . . . 10 ALA MB . 18365 1 68 . 1 1 10 10 ALA C C 13 176.48 0.590 . 1 . . . . 10 ALA C . 18365 1 69 . 1 1 10 10 ALA CA C 13 53.47 0.590 . 1 . . . . 10 ALA CA . 18365 1 70 . 1 1 10 10 ALA CB C 13 18.47 0.590 . 1 . . . . 10 ALA CB . 18365 1 71 . 1 1 10 10 ALA N N 15 122.87 0.380 . 1 . . . . 10 ALA N . 18365 1 72 . 1 1 11 11 ALA H H 1 8.11 0.014 . 1 . . . . 11 ALA H . 18365 1 73 . 1 1 11 11 ALA HA H 1 4.25 0.014 . 1 . . . . 11 ALA HA . 18365 1 74 . 1 1 11 11 ALA HB1 H 1 0.99 0.014 . 1 . . . . 11 ALA MB . 18365 1 75 . 1 1 11 11 ALA HB2 H 1 0.99 0.014 . 1 . . . . 11 ALA MB . 18365 1 76 . 1 1 11 11 ALA HB3 H 1 0.99 0.014 . 1 . . . . 11 ALA MB . 18365 1 77 . 1 1 11 11 ALA C C 13 176.47 0.590 . 1 . . . . 11 ALA C . 18365 1 78 . 1 1 11 11 ALA CA C 13 53.39 0.590 . 1 . . . . 11 ALA CA . 18365 1 79 . 1 1 11 11 ALA CB C 13 18.41 0.590 . 1 . . . . 11 ALA CB . 18365 1 80 . 1 1 11 11 ALA N N 15 123.13 0.380 . 1 . . . . 11 ALA N . 18365 1 81 . 1 1 12 12 MET H H 1 8.09 0.014 . 1 . . . . 12 MET H . 18365 1 82 . 1 1 12 12 MET HA H 1 4.22 0.014 . 1 . . . . 12 MET HA . 18365 1 83 . 1 1 12 12 MET HB2 H 1 1.63 0.014 . 1 . . . . 12 MET QB . 18365 1 84 . 1 1 12 12 MET HB3 H 1 1.63 0.014 . 1 . . . . 12 MET QB . 18365 1 85 . 1 1 12 12 MET C C 13 176.49 0.590 . 1 . . . . 12 MET C . 18365 1 86 . 1 1 12 12 MET CA C 13 56.02 0.590 . 1 . . . . 12 MET CA . 18365 1 87 . 1 1 12 12 MET CB C 13 32.46 0.590 . 1 . . . . 12 MET CB . 18365 1 88 . 1 1 12 12 MET N N 15 119.51 0.380 . 1 . . . . 12 MET N . 18365 1 89 . 1 1 13 13 LYS H H 1 8.06 0.014 . 1 . . . . 13 LYS H . 18365 1 90 . 1 1 13 13 LYS HA H 1 4.29 0.014 . 1 . . . . 13 LYS HA . 18365 1 91 . 1 1 13 13 LYS C C 13 174.74 0.590 . 1 . . . . 13 LYS C . 18365 1 92 . 1 1 13 13 LYS CA C 13 56.69 0.590 . 1 . . . . 13 LYS CA . 18365 1 93 . 1 1 13 13 LYS CB C 13 32.51 0.590 . 1 . . . . 13 LYS CB . 18365 1 94 . 1 1 13 13 LYS N N 15 122.81 0.380 . 1 . . . . 13 LYS N . 18365 1 95 . 1 1 14 14 ARG H H 1 8.15 0.014 . 1 . . . . 14 ARG H . 18365 1 96 . 1 1 14 14 ARG HA H 1 4.3 0.014 . 1 . . . . 14 ARG HA . 18365 1 97 . 1 1 14 14 ARG HB2 H 1 1.32 0.014 . 2 . . . . 14 ARG QB . 18365 1 98 . 1 1 14 14 ARG HB3 H 1 1.32 0.014 . 2 . . . . 14 ARG QB . 18365 1 99 . 1 1 14 14 ARG C C 13 174.15 0.590 . 1 . . . . 14 ARG C . 18365 1 100 . 1 1 14 14 ARG CA C 13 56.38 0.590 . 1 . . . . 14 ARG CA . 18365 1 101 . 1 1 14 14 ARG CB C 13 30.38 0.590 . 1 . . . . 14 ARG CB . 18365 1 102 . 1 1 14 14 ARG N N 15 122.21 0.380 . 1 . . . . 14 ARG N . 18365 1 103 . 1 1 15 15 HIS H H 1 8.46 0.014 . 1 . . . . 15 HIS H . 18365 1 104 . 1 1 15 15 HIS HA H 1 4.74 0.014 . 1 . . . . 15 HIS HA . 18365 1 105 . 1 1 15 15 HIS HB2 H 1 2.86 0.014 . 2 . . . . 15 HIS HB2 . 18365 1 106 . 1 1 15 15 HIS HB3 H 1 2.74 0.014 . 2 . . . . 15 HIS HB3 . 18365 1 107 . 1 1 15 15 HIS C C 13 172.65 0.590 . 1 . . . . 15 HIS C . 18365 1 108 . 1 1 15 15 HIS CA C 13 55.38 0.590 . 1 . . . . 15 HIS CA . 18365 1 109 . 1 1 15 15 HIS CB C 13 28.7 0.590 . 1 . . . . 15 HIS CB . 18365 1 110 . 1 1 15 15 HIS N N 15 120.17 0.380 . 1 . . . . 15 HIS N . 18365 1 111 . 1 1 16 16 GLY H H 1 8.43 0.014 . 1 . . . . 16 GLY H . 18365 1 112 . 1 1 16 16 GLY HA2 H 1 4.01 0.014 . 1 . . . . 16 GLY QA . 18365 1 113 . 1 1 16 16 GLY HA3 H 1 4.01 0.014 . 1 . . . . 16 GLY QA . 18365 1 114 . 1 1 16 16 GLY C C 13 171.83 0.590 . 1 . . . . 16 GLY C . 18365 1 115 . 1 1 16 16 GLY CA C 13 45.13 0.590 . 1 . . . . 16 GLY CA . 18365 1 116 . 1 1 16 16 GLY N N 15 111.09 0.380 . 1 . . . . 16 GLY N . 18365 1 117 . 1 1 17 17 LEU H H 1 8.2 0.014 . 1 . . . . 17 LEU H . 18365 1 118 . 1 1 17 17 LEU HA H 1 4.39 0.014 . 1 . . . . 17 LEU HA . 18365 1 119 . 1 1 17 17 LEU HB2 H 1 1.18 0.014 . 1 . . . . 17 LEU QB . 18365 1 120 . 1 1 17 17 LEU HB3 H 1 1.18 0.014 . 1 . . . . 17 LEU QB . 18365 1 121 . 1 1 17 17 LEU C C 13 175.13 0.590 . 1 . . . . 17 LEU C . 18365 1 122 . 1 1 17 17 LEU CA C 13 55.23 0.590 . 1 . . . . 17 LEU CA . 18365 1 123 . 1 1 17 17 LEU CB C 13 42.2 0.590 . 1 . . . . 17 LEU CB . 18365 1 124 . 1 1 17 17 LEU N N 15 122.7 0.380 . 1 . . . . 17 LEU N . 18365 1 125 . 1 1 18 18 ASP H H 1 8.53 0.014 . 1 . . . . 18 ASP H . 18365 1 126 . 1 1 18 18 ASP HA H 1 4.68 0.014 . 1 . . . . 18 ASP HA . 18365 1 127 . 1 1 18 18 ASP HB2 H 1 2.32 0.014 . 2 . . . . 18 ASP HB2 . 18365 1 128 . 1 1 18 18 ASP HB3 H 1 2.4 0.014 . 2 . . . . 18 ASP HB3 . 18365 1 129 . 1 1 18 18 ASP C C 13 172.56 0.590 . 1 . . . . 18 ASP C . 18365 1 130 . 1 1 18 18 ASP CA C 13 52.82 0.590 . 1 . . . . 18 ASP CA . 18365 1 131 . 1 1 18 18 ASP CB C 13 37.64 0.590 . 1 . . . . 18 ASP CB . 18365 1 132 . 1 1 18 18 ASP N N 15 120.36 0.380 . 1 . . . . 18 ASP N . 18365 1 133 . 1 1 19 19 ASN H H 1 8.3 0.014 . 1 . . . . 19 ASN H . 18365 1 134 . 1 1 19 19 ASN HA H 1 4.71 0.014 . 1 . . . . 19 ASN HA . 18365 1 135 . 1 1 19 19 ASN HB2 H 1 2.23 0.014 . 2 . . . . 19 ASN HB2 . 18365 1 136 . 1 1 19 19 ASN HB3 H 1 2.28 0.014 . 2 . . . . 19 ASN HB3 . 18365 1 137 . 1 1 19 19 ASN C C 13 172.57 0.590 . 1 . . . . 19 ASN C . 18365 1 138 . 1 1 19 19 ASN CA C 13 52.91 0.590 . 1 . . . . 19 ASN CA . 18365 1 139 . 1 1 19 19 ASN CB C 13 38.3 0.590 . 1 . . . . 19 ASN CB . 18365 1 140 . 1 1 19 19 ASN N N 15 120.16 0.380 . 1 . . . . 19 ASN N . 18365 1 141 . 1 1 20 20 TYR H H 1 8.07 0.014 . 1 . . . . 20 TYR H . 18365 1 142 . 1 1 20 20 TYR HA H 1 4.55 0.014 . 1 . . . . 20 TYR HA . 18365 1 143 . 1 1 20 20 TYR HB2 H 1 2.53 0.014 . 2 . . . . 20 TYR HB2 . 18365 1 144 . 1 1 20 20 TYR HB3 H 1 2.63 0.014 . 2 . . . . 20 TYR HB3 . 18365 1 145 . 1 1 20 20 TYR C C 13 173.62 0.590 . 1 . . . . 20 TYR C . 18365 1 146 . 1 1 20 20 TYR CA C 13 58.1 0.590 . 1 . . . . 20 TYR CA . 18365 1 147 . 1 1 20 20 TYR CB C 13 38.3 0.590 . 1 . . . . 20 TYR CB . 18365 1 148 . 1 1 20 20 TYR N N 15 121.73 0.380 . 1 . . . . 20 TYR N . 18365 1 149 . 1 1 21 21 ARG H H 1 8.25 0.014 . 1 . . . . 21 ARG H . 18365 1 150 . 1 1 21 21 ARG HA H 1 4.23 0.014 . 1 . . . . 21 ARG HA . 18365 1 151 . 1 1 21 21 ARG HB2 H 1 1.18 0.014 . 2 . . . . 21 ARG HB2 . 18365 1 152 . 1 1 21 21 ARG HB3 H 1 1.32 0.014 . 2 . . . . 21 ARG HB3 . 18365 1 153 . 1 1 21 21 ARG C C 13 174.14 0.590 . 1 . . . . 21 ARG C . 18365 1 154 . 1 1 21 21 ARG CA C 13 56.09 0.590 . 1 . . . . 21 ARG CA . 18365 1 155 . 1 1 21 21 ARG CB C 13 30.11 0.590 . 1 . . . . 21 ARG CB . 18365 1 156 . 1 1 21 21 ARG N N 15 124.54 0.380 . 1 . . . . 21 ARG N . 18365 1 157 . 1 1 22 22 GLY H H 1 7.77 0.014 . 1 . . . . 22 GLY H . 18365 1 158 . 1 1 22 22 GLY HA2 H 1 3.89 0.014 . 1 . . . . 22 GLY QA . 18365 1 159 . 1 1 22 22 GLY HA3 H 1 3.89 0.014 . 1 . . . . 22 GLY QA . 18365 1 160 . 1 1 22 22 GLY C C 13 171.46 0.590 . 1 . . . . 22 GLY C . 18365 1 161 . 1 1 22 22 GLY CA C 13 45.03 0.590 . 1 . . . . 22 GLY CA . 18365 1 162 . 1 1 22 22 GLY N N 15 109.88 0.380 . 1 . . . . 22 GLY N . 18365 1 163 . 1 1 23 23 TYR H H 1 7.94 0.014 . 1 . . . . 23 TYR H . 18365 1 164 . 1 1 23 23 TYR HA H 1 4.61 0.014 . 1 . . . . 23 TYR HA . 18365 1 165 . 1 1 23 23 TYR HB2 H 1 2.47 0.014 . 2 . . . . 23 TYR HB2 . 18365 1 166 . 1 1 23 23 TYR HB3 H 1 2.54 0.014 . 2 . . . . 23 TYR HB3 . 18365 1 167 . 1 1 23 23 TYR C C 13 173.69 0.590 . 1 . . . . 23 TYR C . 18365 1 168 . 1 1 23 23 TYR CA C 13 57.77 0.590 . 1 . . . . 23 TYR CA . 18365 1 169 . 1 1 23 23 TYR CB C 13 38.78 0.590 . 1 . . . . 23 TYR CB . 18365 1 170 . 1 1 23 23 TYR N N 15 121.02 0.380 . 1 . . . . 23 TYR N . 18365 1 171 . 1 1 24 24 SER H H 1 8.27 0.014 . 1 . . . . 24 SER H . 18365 1 172 . 1 1 24 24 SER HA H 1 4.47 0.014 . 1 . . . . 24 SER HA . 18365 1 173 . 1 1 24 24 SER HB2 H 1 3.67 0.014 . 2 . . . . 24 SER HB2 . 18365 1 174 . 1 1 24 24 SER HB3 H 1 3.36 0.014 . 2 . . . . 24 SER HB3 . 18365 1 175 . 1 1 24 24 SER C C 13 172.17 0.590 . 1 . . . . 24 SER C . 18365 1 176 . 1 1 24 24 SER CA C 13 57.92 0.590 . 1 . . . . 24 SER CA . 18365 1 177 . 1 1 24 24 SER CB C 13 63.9 0.590 . 1 . . . . 24 SER CB . 18365 1 178 . 1 1 24 24 SER N N 15 118.77 0.380 . 1 . . . . 24 SER N . 18365 1 179 . 1 1 25 25 LEU H H 1 8.23 0.014 . 1 . . . . 25 LEU H . 18365 1 180 . 1 1 25 25 LEU HA H 1 4.35 0.014 . 1 . . . . 25 LEU HA . 18365 1 181 . 1 1 25 25 LEU HB2 H 1 1.18 0.014 . 1 . . . . 25 LEU QB . 18365 1 182 . 1 1 25 25 LEU HB3 H 1 1.18 0.014 . 1 . . . . 25 LEU QB . 18365 1 183 . 1 1 25 25 LEU C C 13 175.62 0.590 . 1 . . . . 25 LEU C . 18365 1 184 . 1 1 25 25 LEU CA C 13 55.51 0.590 . 1 . . . . 25 LEU CA . 18365 1 185 . 1 1 25 25 LEU CB C 13 42.01 0.590 . 1 . . . . 25 LEU CB . 18365 1 186 . 1 1 25 25 LEU N N 15 125.17 0.380 . 1 . . . . 25 LEU N . 18365 1 187 . 1 1 26 26 GLY H H 1 8.23 0.014 . 1 . . . . 26 GLY H . 18365 1 188 . 1 1 26 26 GLY HA2 H 1 3.87 0.014 . 1 . . . . 26 GLY QA . 18365 1 189 . 1 1 26 26 GLY HA3 H 1 3.87 0.014 . 1 . . . . 26 GLY QA . 18365 1 190 . 1 1 26 26 GLY C C 13 171.79 0.590 . 1 . . . . 26 GLY C . 18365 1 191 . 1 1 26 26 GLY CA C 13 45.21 0.590 . 1 . . . . 26 GLY CA . 18365 1 192 . 1 1 26 26 GLY N N 15 109.59 0.380 . 1 . . . . 26 GLY N . 18365 1 193 . 1 1 27 27 ASN H H 1 8.19 0.014 . 1 . . . . 27 ASN H . 18365 1 194 . 1 1 27 27 ASN HA H 1 4.73 0.014 . 1 . . . . 27 ASN HA . 18365 1 195 . 1 1 27 27 ASN C C 13 172.87 0.590 . 1 . . . . 27 ASN C . 18365 1 196 . 1 1 27 27 ASN CA C 13 53.08 0.590 . 1 . . . . 27 ASN CA . 18365 1 197 . 1 1 27 27 ASN CB C 13 38.41 0.590 . 1 . . . . 27 ASN CB . 18365 1 198 . 1 1 27 27 ASN N N 15 119.93 0.380 . 1 . . . . 27 ASN N . 18365 1 199 . 1 1 28 28 TRP H H 1 8.09 0.014 . 1 . . . . 28 TRP H . 18365 1 200 . 1 1 28 28 TRP HA H 1 4.61 0.014 . 1 . . . . 28 TRP HA . 18365 1 201 . 1 1 28 28 TRP HB2 H 1 2.81 0.014 . 1 . . . . 28 TRP QB . 18365 1 202 . 1 1 28 28 TRP HB3 H 1 2.81 0.014 . 1 . . . . 28 TRP QB . 18365 1 203 . 1 1 28 28 TRP C C 13 174.1 0.590 . 1 . . . . 28 TRP C . 18365 1 204 . 1 1 28 28 TRP CA C 13 57.91 0.590 . 1 . . . . 28 TRP CA . 18365 1 205 . 1 1 28 28 TRP CB C 13 29.07 0.590 . 1 . . . . 28 TRP CB . 18365 1 206 . 1 1 28 28 TRP N N 15 122.98 0.380 . 1 . . . . 28 TRP N . 18365 1 207 . 1 1 29 29 VAL H H 1 7.75 0.014 . 1 . . . . 29 VAL H . 18365 1 208 . 1 1 29 29 VAL HA H 1 3.87 0.014 . 1 . . . . 29 VAL HA . 18365 1 209 . 1 1 29 29 VAL HB H 1 1.46 0.014 . 1 . . . . 29 VAL HB . 18365 1 210 . 1 1 29 29 VAL C C 13 173.57 0.590 . 1 . . . . 29 VAL C . 18365 1 211 . 1 1 29 29 VAL CA C 13 62.52 0.590 . 1 . . . . 29 VAL CA . 18365 1 212 . 1 1 29 29 VAL CB C 13 32.58 0.590 . 1 . . . . 29 VAL CB . 18365 1 213 . 1 1 29 29 VAL N N 15 123.47 0.380 . 1 . . . . 29 VAL N . 18365 1 214 . 1 1 30 30 ALA H H 1 8.04 0.014 . 1 . . . . 30 ALA H . 18365 1 215 . 1 1 30 30 ALA HA H 1 4.22 0.014 . 1 . . . . 30 ALA HA . 18365 1 216 . 1 1 30 30 ALA HB1 H 1 0.91 0.014 . 1 . . . . 30 ALA MB . 18365 1 217 . 1 1 30 30 ALA HB2 H 1 0.91 0.014 . 1 . . . . 30 ALA MB . 18365 1 218 . 1 1 30 30 ALA HB3 H 1 0.91 0.014 . 1 . . . . 30 ALA MB . 18365 1 219 . 1 1 30 30 ALA C C 13 175.69 0.590 . 1 . . . . 30 ALA C . 18365 1 220 . 1 1 30 30 ALA CA C 13 52.62 0.590 . 1 . . . . 30 ALA CA . 18365 1 221 . 1 1 30 30 ALA CB C 13 18.66 0.590 . 1 . . . . 30 ALA CB . 18365 1 222 . 1 1 30 30 ALA N N 15 127.55 0.380 . 1 . . . . 30 ALA N . 18365 1 223 . 1 1 31 31 ALA H H 1 8.1 0.014 . 1 . . . . 31 ALA H . 18365 1 224 . 1 1 31 31 ALA HA H 1 4.23 0.014 . 1 . . . . 31 ALA HA . 18365 1 225 . 1 1 31 31 ALA HB1 H 1 0.92 0.014 . 1 . . . . 31 ALA MB . 18365 1 226 . 1 1 31 31 ALA HB2 H 1 0.92 0.014 . 1 . . . . 31 ALA MB . 18365 1 227 . 1 1 31 31 ALA HB3 H 1 0.92 0.014 . 1 . . . . 31 ALA MB . 18365 1 228 . 1 1 31 31 ALA C C 13 175.93 0.590 . 1 . . . . 31 ALA C . 18365 1 229 . 1 1 31 31 ALA CA C 13 52.64 0.590 . 1 . . . . 31 ALA CA . 18365 1 230 . 1 1 31 31 ALA CB C 13 18.7 0.590 . 1 . . . . 31 ALA CB . 18365 1 231 . 1 1 31 31 ALA N N 15 123.75 0.380 . 1 . . . . 31 ALA N . 18365 1 232 . 1 1 32 32 ALA H H 1 8.12 0.014 . 1 . . . . 32 ALA H . 18365 1 233 . 1 1 32 32 ALA HA H 1 4.23 0.014 . 1 . . . . 32 ALA HA . 18365 1 234 . 1 1 32 32 ALA HB1 H 1 0.89 0.014 . 1 . . . . 32 ALA MB . 18365 1 235 . 1 1 32 32 ALA HB2 H 1 0.89 0.014 . 1 . . . . 32 ALA MB . 18365 1 236 . 1 1 32 32 ALA HB3 H 1 0.89 0.014 . 1 . . . . 32 ALA MB . 18365 1 237 . 1 1 32 32 ALA C C 13 175.93 0.590 . 1 . . . . 32 ALA C . 18365 1 238 . 1 1 32 32 ALA CA C 13 52.64 0.590 . 1 . . . . 32 ALA CA . 18365 1 239 . 1 1 32 32 ALA CB C 13 18.69 0.590 . 1 . . . . 32 ALA CB . 18365 1 240 . 1 1 32 32 ALA N N 15 123.79 0.380 . 1 . . . . 32 ALA N . 18365 1 241 . 1 1 33 33 LYS H H 1 8.07 0.014 . 1 . . . . 33 LYS H . 18365 1 242 . 1 1 33 33 LYS HA H 1 4.2 0.014 . 1 . . . . 33 LYS HA . 18365 1 243 . 1 1 33 33 LYS HB2 H 1 1.24 0.014 . 1 . . . . 33 LYS QB . 18365 1 244 . 1 1 33 33 LYS HB3 H 1 1.24 0.014 . 1 . . . . 33 LYS QB . 18365 1 245 . 1 1 33 33 LYS C C 13 174.35 0.590 . 1 . . . . 33 LYS C . 18365 1 246 . 1 1 33 33 LYS CA C 13 56.62 0.590 . 1 . . . . 33 LYS CA . 18365 1 247 . 1 1 33 33 LYS CB C 13 32.54 0.590 . 1 . . . . 33 LYS CB . 18365 1 248 . 1 1 33 33 LYS N N 15 120.7 0.380 . 1 . . . . 33 LYS N . 18365 1 249 . 1 1 34 34 PHE H H 1 8.11 0.014 . 1 . . . . 34 PHE H . 18365 1 250 . 1 1 34 34 PHE HA H 1 4.62 0.014 . 1 . . . . 34 PHE HA . 18365 1 251 . 1 1 34 34 PHE HB2 H 1 2.88 0.014 . 2 . . . . 34 PHE HB2 . 18365 1 252 . 1 1 34 34 PHE HB3 H 1 2.98 0.014 . 2 . . . . 34 PHE HB3 . 18365 1 253 . 1 1 34 34 PHE C C 13 173.59 0.590 . 1 . . . . 34 PHE C . 18365 1 254 . 1 1 34 34 PHE CA C 13 57.89 0.590 . 1 . . . . 34 PHE CA . 18365 1 255 . 1 1 34 34 PHE CB C 13 39.25 0.590 . 1 . . . . 34 PHE CB . 18365 1 256 . 1 1 34 34 PHE N N 15 121.59 0.380 . 1 . . . . 34 PHE N . 18365 1 257 . 1 1 35 35 GLU H H 1 8.16 0.014 . 1 . . . . 35 GLU H . 18365 1 258 . 1 1 35 35 GLU HA H 1 4.36 0.014 . 1 . . . . 35 GLU HA . 18365 1 259 . 1 1 35 35 GLU HB2 H 1 1.49 0.014 . 2 . . . . 35 GLU HB2 . 18365 1 260 . 1 1 35 35 GLU HB3 H 1 1.63 0.014 . 2 . . . . 35 GLU HB3 . 18365 1 261 . 1 1 35 35 GLU C C 13 173.6 0.590 . 1 . . . . 35 GLU C . 18365 1 262 . 1 1 35 35 GLU CA C 13 55.55 0.590 . 1 . . . . 35 GLU CA . 18365 1 263 . 1 1 35 35 GLU CB C 13 28.53 0.590 . 1 . . . . 35 GLU CB . 18365 1 264 . 1 1 35 35 GLU N N 15 122.68 0.380 . 1 . . . . 35 GLU N . 18365 1 265 . 1 1 36 36 SER H H 1 8.27 0.014 . 1 . . . . 36 SER H . 18365 1 266 . 1 1 36 36 SER HA H 1 4.38 0.014 . 1 . . . . 36 SER HA . 18365 1 267 . 1 1 36 36 SER HB2 H 1 3.66 0.014 . 2 . . . . 36 SER HB2 . 18365 1 268 . 1 1 36 36 SER HB3 H 1 3.37 0.014 . 2 . . . . 36 SER HB3 . 18365 1 269 . 1 1 36 36 SER C C 13 172.09 0.590 . 1 . . . . 36 SER C . 18365 1 270 . 1 1 36 36 SER CA C 13 58.59 0.590 . 1 . . . . 36 SER CA . 18365 1 271 . 1 1 36 36 SER CB C 13 63.67 0.590 . 1 . . . . 36 SER CB . 18365 1 272 . 1 1 36 36 SER N N 15 117.77 0.380 . 1 . . . . 36 SER N . 18365 1 273 . 1 1 37 37 ASN H H 1 8.35 0.014 . 1 . . . . 37 ASN H . 18365 1 274 . 1 1 37 37 ASN HA H 1 4.7 0.014 . 1 . . . . 37 ASN HA . 18365 1 275 . 1 1 37 37 ASN HB2 H 1 2.24 0.014 . 1 . . . . 37 ASN QB . 18365 1 276 . 1 1 37 37 ASN HB3 H 1 2.24 0.014 . 1 . . . . 37 ASN QB . 18365 1 277 . 1 1 37 37 ASN C C 13 172.82 0.590 . 1 . . . . 37 ASN C . 18365 1 278 . 1 1 37 37 ASN CA C 13 53.32 0.590 . 1 . . . . 37 ASN CA . 18365 1 279 . 1 1 37 37 ASN CB C 13 38.54 0.590 . 1 . . . . 37 ASN CB . 18365 1 280 . 1 1 37 37 ASN N N 15 121.28 0.380 . 1 . . . . 37 ASN N . 18365 1 281 . 1 1 38 38 PHE H H 1 8.15 0.014 . 1 . . . . 38 PHE H . 18365 1 282 . 1 1 38 38 PHE HA H 1 4.6 0.014 . 1 . . . . 38 PHE HA . 18365 1 283 . 1 1 38 38 PHE HB2 H 1 2.85 0.014 . 2 . . . . 38 PHE HB2 . 18365 1 284 . 1 1 38 38 PHE HB3 H 1 2.99 0.014 . 2 . . . . 38 PHE HB3 . 18365 1 285 . 1 1 38 38 PHE C C 13 173.4 0.590 . 1 . . . . 38 PHE C . 18365 1 286 . 1 1 38 38 PHE CA C 13 58.01 0.590 . 1 . . . . 38 PHE CA . 18365 1 287 . 1 1 38 38 PHE CB C 13 39.09 0.590 . 1 . . . . 38 PHE CB . 18365 1 288 . 1 1 38 38 PHE N N 15 121.48 0.380 . 1 . . . . 38 PHE N . 18365 1 289 . 1 1 39 39 ASN H H 1 8.35 0.014 . 1 . . . . 39 ASN H . 18365 1 290 . 1 1 39 39 ASN HA H 1 4.76 0.014 . 1 . . . . 39 ASN HA . 18365 1 291 . 1 1 39 39 ASN HB2 H 1 2.26 0.014 . 2 . . . . 39 ASN HB2 . 18365 1 292 . 1 1 39 39 ASN HB3 H 1 2.39 0.014 . 2 . . . . 39 ASN HB3 . 18365 1 293 . 1 1 39 39 ASN C C 13 173.38 0.590 . 1 . . . . 39 ASN C . 18365 1 294 . 1 1 39 39 ASN CA C 13 53.24 0.590 . 1 . . . . 39 ASN CA . 18365 1 295 . 1 1 39 39 ASN CB C 13 38.49 0.590 . 1 . . . . 39 ASN CB . 18365 1 296 . 1 1 39 39 ASN N N 15 121.25 0.380 . 1 . . . . 39 ASN N . 18365 1 297 . 1 1 40 40 THR H H 1 8.12 0.014 . 1 . . . . 40 THR H . 18365 1 298 . 1 1 40 40 THR HA H 1 4.32 0.014 . 1 . . . . 40 THR HA . 18365 1 299 . 1 1 40 40 THR HB H 1 4.14 0.014 . 1 . . . . 40 THR HB . 18365 1 300 . 1 1 40 40 THR C C 13 172.64 0.590 . 1 . . . . 40 THR C . 18365 1 301 . 1 1 40 40 THR CA C 13 62.13 0.590 . 1 . . . . 40 THR CA . 18365 1 302 . 1 1 40 40 THR CB C 13 69.5 0.590 . 1 . . . . 40 THR CB . 18365 1 303 . 1 1 40 40 THR N N 15 115.6 0.380 . 1 . . . . 40 THR N . 18365 1 304 . 1 1 41 41 GLN H H 1 8.33 0.014 . 1 . . . . 41 GLN H . 18365 1 305 . 1 1 41 41 GLN HA H 1 4.35 0.014 . 1 . . . . 41 GLN HA . 18365 1 306 . 1 1 41 41 GLN HB2 H 1 1.56 0.014 . 2 . . . . 41 GLN HB2 . 18365 1 307 . 1 1 41 41 GLN HB3 H 1 1.68 0.014 . 2 . . . . 41 GLN HB3 . 18365 1 308 . 1 1 41 41 GLN C C 13 173.78 0.590 . 1 . . . . 41 GLN C . 18365 1 309 . 1 1 41 41 GLN CA C 13 55.9 0.590 . 1 . . . . 41 GLN CA . 18365 1 310 . 1 1 41 41 GLN CB C 13 28.96 0.590 . 1 . . . . 41 GLN CB . 18365 1 311 . 1 1 41 41 GLN N N 15 123.18 0.380 . 1 . . . . 41 GLN N . 18365 1 312 . 1 1 42 42 ALA H H 1 8.28 0.014 . 1 . . . . 42 ALA H . 18365 1 313 . 1 1 42 42 ALA HA H 1 4.37 0.014 . 1 . . . . 42 ALA HA . 18365 1 314 . 1 1 42 42 ALA HB1 H 1 0.96 0.014 . 1 . . . . 42 ALA MB . 18365 1 315 . 1 1 42 42 ALA HB2 H 1 0.96 0.014 . 1 . . . . 42 ALA MB . 18365 1 316 . 1 1 42 42 ALA HB3 H 1 0.96 0.014 . 1 . . . . 42 ALA MB . 18365 1 317 . 1 1 42 42 ALA C C 13 175.89 0.590 . 1 . . . . 42 ALA C . 18365 1 318 . 1 1 42 42 ALA CA C 13 52.64 0.590 . 1 . . . . 42 ALA CA . 18365 1 319 . 1 1 42 42 ALA CB C 13 18.82 0.590 . 1 . . . . 42 ALA CB . 18365 1 320 . 1 1 42 42 ALA N N 15 125.97 0.380 . 1 . . . . 42 ALA N . 18365 1 321 . 1 1 43 43 THR H H 1 8.1 0.014 . 1 . . . . 43 THR H . 18365 1 322 . 1 1 43 43 THR HA H 1 4.33 0.014 . 1 . . . . 43 THR HA . 18365 1 323 . 1 1 43 43 THR HB H 1 4.2 0.014 . 1 . . . . 43 THR HB . 18365 1 324 . 1 1 43 43 THR C C 13 172.26 0.590 . 1 . . . . 43 THR C . 18365 1 325 . 1 1 43 43 THR CA C 13 61.89 0.590 . 1 . . . . 43 THR CA . 18365 1 326 . 1 1 43 43 THR CB C 13 69.7 0.590 . 1 . . . . 43 THR CB . 18365 1 327 . 1 1 43 43 THR N N 15 113.86 0.380 . 1 . . . . 43 THR N . 18365 1 328 . 1 1 44 44 ASN H H 1 8.38 0.014 . 1 . . . . 44 ASN H . 18365 1 329 . 1 1 44 44 ASN HA H 1 4.75 0.014 . 1 . . . . 44 ASN HA . 18365 1 330 . 1 1 44 44 ASN HB2 H 1 2.35 0.014 . 2 . . . . 44 ASN HB2 . 18365 1 331 . 1 1 44 44 ASN HB3 H 1 2.38 0.014 . 2 . . . . 44 ASN HB3 . 18365 1 332 . 1 1 44 44 ASN C C 13 173.04 0.590 . 1 . . . . 44 ASN C . 18365 1 333 . 1 1 44 44 ASN CA C 13 53.13 0.590 . 1 . . . . 44 ASN CA . 18365 1 334 . 1 1 44 44 ASN CB C 13 38.46 0.590 . 1 . . . . 44 ASN CB . 18365 1 335 . 1 1 44 44 ASN N N 15 122.09 0.380 . 1 . . . . 44 ASN N . 18365 1 336 . 1 1 45 45 ARG H H 1 8.33 0.014 . 1 . . . . 45 ARG H . 18365 1 337 . 1 1 45 45 ARG HA H 1 4.36 0.014 . 1 . . . . 45 ARG HA . 18365 1 338 . 1 1 45 45 ARG HB2 H 1 1.3 0.014 . 2 . . . . 45 ARG HB2 . 18365 1 339 . 1 1 45 45 ARG HB3 H 1 1.42 0.014 . 2 . . . . 45 ARG HB3 . 18365 1 340 . 1 1 45 45 ARG C C 13 173.96 0.590 . 1 . . . . 45 ARG C . 18365 1 341 . 1 1 45 45 ARG CA C 13 56.14 0.590 . 1 . . . . 45 ARG CA . 18365 1 342 . 1 1 45 45 ARG CB C 13 30.34 0.590 . 1 . . . . 45 ARG CB . 18365 1 343 . 1 1 45 45 ARG N N 15 122.54 0.380 . 1 . . . . 45 ARG N . 18365 1 344 . 1 1 46 46 ASN H H 1 8.5 0.014 . 1 . . . . 46 ASN H . 18365 1 345 . 1 1 46 46 ASN HA H 1 4.8 0.014 . 1 . . . . 46 ASN HA . 18365 1 346 . 1 1 46 46 ASN HB2 H 1 2.33 0.014 . 2 . . . . 46 ASN HB2 . 18365 1 347 . 1 1 46 46 ASN HB3 H 1 2.42 0.014 . 2 . . . . 46 ASN HB3 . 18365 1 348 . 1 1 46 46 ASN C C 13 173.57 0.590 . 1 . . . . 46 ASN C . 18365 1 349 . 1 1 46 46 ASN CA C 13 53.34 0.590 . 1 . . . . 46 ASN CA . 18365 1 350 . 1 1 46 46 ASN CB C 13 38.49 0.590 . 1 . . . . 46 ASN CB . 18365 1 351 . 1 1 46 46 ASN N N 15 120.7 0.380 . 1 . . . . 46 ASN N . 18365 1 352 . 1 1 47 47 THR H H 1 8.18 0.014 . 1 . . . . 47 THR H . 18365 1 353 . 1 1 47 47 THR HA H 1 4.36 0.014 . 1 . . . . 47 THR HA . 18365 1 354 . 1 1 47 47 THR C C 13 172.57 0.590 . 1 . . . . 47 THR C . 18365 1 355 . 1 1 47 47 THR CA C 13 61.9 0.590 . 1 . . . . 47 THR CA . 18365 1 356 . 1 1 47 47 THR CB C 13 69.47 0.590 . 1 . . . . 47 THR CB . 18365 1 357 . 1 1 47 47 THR N N 15 115.17 0.380 . 1 . . . . 47 THR N . 18365 1 358 . 1 1 48 48 ASP H H 1 8.51 0.014 . 1 . . . . 48 ASP H . 18365 1 359 . 1 1 48 48 ASP HA H 1 4.76 0.014 . 1 . . . . 48 ASP HA . 18365 1 360 . 1 1 48 48 ASP HB2 H 1 2.46 0.014 . 2 . . . . 48 ASP HB2 . 18365 1 361 . 1 1 48 48 ASP HB3 H 1 2.79 0.014 . 2 . . . . 48 ASP HB3 . 18365 1 362 . 1 1 48 48 ASP C C 13 173.49 0.590 . 1 . . . . 48 ASP C . 18365 1 363 . 1 1 48 48 ASP CA C 13 53.08 0.590 . 1 . . . . 48 ASP CA . 18365 1 364 . 1 1 48 48 ASP CB C 13 37.67 0.590 . 1 . . . . 48 ASP CB . 18365 1 365 . 1 1 48 48 ASP N N 15 121.95 0.380 . 1 . . . . 48 ASP N . 18365 1 366 . 1 1 49 49 GLY H H 1 8.39 0.014 . 1 . . . . 49 GLY H . 18365 1 367 . 1 1 49 49 GLY HA2 H 1 4.03 0.014 . 1 . . . . 49 GLY QA . 18365 1 368 . 1 1 49 49 GLY HA3 H 1 4.03 0.014 . 1 . . . . 49 GLY QA . 18365 1 369 . 1 1 49 49 GLY C C 13 172.15 0.590 . 1 . . . . 49 GLY C . 18365 1 370 . 1 1 49 49 GLY CA C 13 45.31 0.590 . 1 . . . . 49 GLY CA . 18365 1 371 . 1 1 49 49 GLY N N 15 110.62 0.380 . 1 . . . . 49 GLY N . 18365 1 372 . 1 1 50 50 SER H H 1 8.18 0.014 . 1 . . . . 50 SER H . 18365 1 373 . 1 1 50 50 SER HA H 1 4.54 0.014 . 1 . . . . 50 SER HA . 18365 1 374 . 1 1 50 50 SER HB2 H 1 3.46 0.014 . 2 . . . . 50 SER HB2 . 18365 1 375 . 1 1 50 50 SER HB3 H 1 3.43 0.014 . 2 . . . . 50 SER HB3 . 18365 1 376 . 1 1 50 50 SER C C 13 172.77 0.590 . 1 . . . . 50 SER C . 18365 1 377 . 1 1 50 50 SER CA C 13 58.5 0.590 . 1 . . . . 50 SER CA . 18365 1 378 . 1 1 50 50 SER CB C 13 63.79 0.590 . 1 . . . . 50 SER CB . 18365 1 379 . 1 1 50 50 SER N N 15 116.63 0.380 . 1 . . . . 50 SER N . 18365 1 380 . 1 1 51 51 THR H H 1 8.21 0.014 . 1 . . . . 51 THR H . 18365 1 381 . 1 1 51 51 THR HA H 1 4.33 0.014 . 1 . . . . 51 THR HA . 18365 1 382 . 1 1 51 51 THR C C 13 172 0.590 . 1 . . . . 51 THR C . 18365 1 383 . 1 1 51 51 THR CA C 13 61.89 0.590 . 1 . . . . 51 THR CA . 18365 1 384 . 1 1 51 51 THR CB C 13 69.59 0.590 . 1 . . . . 51 THR CB . 18365 1 385 . 1 1 51 51 THR N N 15 116.76 0.380 . 1 . . . . 51 THR N . 18365 1 386 . 1 1 52 52 ASP H H 1 8.39 0.014 . 1 . . . . 52 ASP H . 18365 1 387 . 1 1 52 52 ASP HA H 1 4.75 0.014 . 1 . . . . 52 ASP HA . 18365 1 388 . 1 1 52 52 ASP HB2 H 1 2.29 0.014 . 2 . . . . 52 ASP HB2 . 18365 1 389 . 1 1 52 52 ASP HB3 H 1 2.42 0.014 . 2 . . . . 52 ASP HB3 . 18365 1 390 . 1 1 52 52 ASP C C 13 172.6 0.590 . 1 . . . . 52 ASP C . 18365 1 391 . 1 1 52 52 ASP CA C 13 53.01 0.590 . 1 . . . . 52 ASP CA . 18365 1 392 . 1 1 52 52 ASP CB C 13 38.33 0.590 . 1 . . . . 52 ASP CB . 18365 1 393 . 1 1 52 52 ASP N N 15 122.12 0.380 . 1 . . . . 52 ASP N . 18365 1 394 . 1 1 53 53 TYR H H 1 8.14 0.014 . 1 . . . . 53 TYR H . 18365 1 395 . 1 1 53 53 TYR HA H 1 4.5 0.014 . 1 . . . . 53 TYR HA . 18365 1 396 . 1 1 53 53 TYR HB2 H 1 2.78 0.014 . 2 . . . . 53 TYR HB2 . 18365 1 397 . 1 1 53 53 TYR HB3 H 1 2.93 0.014 . 2 . . . . 53 TYR HB3 . 18365 1 398 . 1 1 53 53 TYR C C 13 174.25 0.590 . 1 . . . . 53 TYR C . 18365 1 399 . 1 1 53 53 TYR CA C 13 58.52 0.590 . 1 . . . . 53 TYR CA . 18365 1 400 . 1 1 53 53 TYR CB C 13 38.11 0.590 . 1 . . . . 53 TYR CB . 18365 1 401 . 1 1 53 53 TYR N N 15 121.98 0.380 . 1 . . . . 53 TYR N . 18365 1 402 . 1 1 54 54 GLY H H 1 8.28 0.014 . 1 . . . . 54 GLY H . 18365 1 403 . 1 1 54 54 GLY HA2 H 1 3.93 0.014 . 1 . . . . 54 GLY QA . 18365 1 404 . 1 1 54 54 GLY HA3 H 1 3.93 0.014 . 1 . . . . 54 GLY QA . 18365 1 405 . 1 1 54 54 GLY C C 13 172.09 0.590 . 1 . . . . 54 GLY C . 18365 1 406 . 1 1 54 54 GLY CA C 13 45.37 0.590 . 1 . . . . 54 GLY CA . 18365 1 407 . 1 1 54 54 GLY N N 15 110.88 0.380 . 1 . . . . 54 GLY N . 18365 1 408 . 1 1 55 55 ILE H H 1 7.85 0.014 . 1 . . . . 55 ILE H . 18365 1 409 . 1 1 55 55 ILE HA H 1 4.18 0.014 . 1 . . . . 55 ILE HA . 18365 1 410 . 1 1 55 55 ILE HB H 1 1.43 0.014 . 1 . . . . 55 ILE HB . 18365 1 411 . 1 1 55 55 ILE C C 13 174.2 0.590 . 1 . . . . 55 ILE C . 18365 1 412 . 1 1 55 55 ILE CA C 13 61.41 0.590 . 1 . . . . 55 ILE CA . 18365 1 413 . 1 1 55 55 ILE CB C 13 38.3 0.590 . 1 . . . . 55 ILE CB . 18365 1 414 . 1 1 55 55 ILE N N 15 120.85 0.380 . 1 . . . . 55 ILE N . 18365 1 415 . 1 1 56 56 LEU H H 1 8.22 0.014 . 1 . . . . 56 LEU H . 18365 1 416 . 1 1 56 56 LEU HA H 1 4.37 0.014 . 1 . . . . 56 LEU HA . 18365 1 417 . 1 1 56 56 LEU HB2 H 1 1.2 0.014 . 2 . . . . 56 LEU HB2 . 18365 1 418 . 1 1 56 56 LEU HB3 H 1 1.1 0.014 . 2 . . . . 56 LEU HB3 . 18365 1 419 . 1 1 56 56 LEU C C 13 175.15 0.590 . 1 . . . . 56 LEU C . 18365 1 420 . 1 1 56 56 LEU CA C 13 55.33 0.590 . 1 . . . . 56 LEU CA . 18365 1 421 . 1 1 56 56 LEU CB C 13 42.01 0.590 . 1 . . . . 56 LEU CB . 18365 1 422 . 1 1 56 56 LEU N N 15 126.06 0.380 . 1 . . . . 56 LEU N . 18365 1 423 . 1 1 57 57 GLN H H 1 8.27 0.014 . 1 . . . . 57 GLN H . 18365 1 424 . 1 1 57 57 GLN HA H 1 4.34 0.014 . 1 . . . . 57 GLN HA . 18365 1 425 . 1 1 57 57 GLN C C 13 174.04 0.590 . 1 . . . . 57 GLN C . 18365 1 426 . 1 1 57 57 GLN CA C 13 55.66 0.590 . 1 . . . . 57 GLN CA . 18365 1 427 . 1 1 57 57 GLN CB C 13 28.83 0.590 . 1 . . . . 57 GLN CB . 18365 1 428 . 1 1 57 57 GLN N N 15 122.46 0.380 . 1 . . . . 57 GLN N . 18365 1 429 . 1 1 58 58 ILE H H 1 8.1 0.014 . 1 . . . . 58 ILE H . 18365 1 430 . 1 1 58 58 ILE HA H 1 4.06 0.014 . 1 . . . . 58 ILE HA . 18365 1 431 . 1 1 58 58 ILE HB H 1 1.37 0.014 . 1 . . . . 58 ILE HB . 18365 1 432 . 1 1 58 58 ILE C C 13 173.95 0.590 . 1 . . . . 58 ILE C . 18365 1 433 . 1 1 58 58 ILE CA C 13 61.74 0.590 . 1 . . . . 58 ILE CA . 18365 1 434 . 1 1 58 58 ILE CB C 13 38.21 0.590 . 1 . . . . 58 ILE CB . 18365 1 435 . 1 1 58 58 ILE N N 15 122.63 0.380 . 1 . . . . 58 ILE N . 18365 1 436 . 1 1 59 59 ASN H H 1 8.36 0.014 . 1 . . . . 59 ASN H . 18365 1 437 . 1 1 59 59 ASN HA H 1 4.75 0.014 . 1 . . . . 59 ASN HA . 18365 1 438 . 1 1 59 59 ASN HB2 H 1 2.33 0.014 . 2 . . . . 59 ASN HB2 . 18365 1 439 . 1 1 59 59 ASN HB3 H 1 2.65 0.014 . 2 . . . . 59 ASN HB3 . 18365 1 440 . 1 1 59 59 ASN C C 13 173.27 0.590 . 1 . . . . 59 ASN C . 18365 1 441 . 1 1 59 59 ASN CA C 13 53.29 0.590 . 1 . . . . 59 ASN CA . 18365 1 442 . 1 1 59 59 ASN CB C 13 38.41 0.590 . 1 . . . . 59 ASN CB . 18365 1 443 . 1 1 59 59 ASN N N 15 122.71 0.380 . 1 . . . . 59 ASN N . 18365 1 444 . 1 1 60 60 SER H H 1 8.2 0.014 . 1 . . . . 60 SER H . 18365 1 445 . 1 1 60 60 SER HA H 1 4.29 0.014 . 1 . . . . 60 SER HA . 18365 1 446 . 1 1 60 60 SER HB2 H 1 3.42 0.014 . 2 . . . . 60 SER HB2 . 18365 1 447 . 1 1 60 60 SER HB3 H 1 3.34 0.014 . 2 . . . . 60 SER HB3 . 18365 1 448 . 1 1 60 60 SER C C 13 172.83 0.590 . 1 . . . . 60 SER C . 18365 1 449 . 1 1 60 60 SER CA C 13 58.95 0.590 . 1 . . . . 60 SER CA . 18365 1 450 . 1 1 60 60 SER CB C 13 63.54 0.590 . 1 . . . . 60 SER CB . 18365 1 451 . 1 1 60 60 SER N N 15 117.45 0.380 . 1 . . . . 60 SER N . 18365 1 452 . 1 1 61 61 ARG H H 1 8.23 0.014 . 1 . . . . 61 ARG H . 18365 1 453 . 1 1 61 61 ARG HA H 1 4.07 0.014 . 1 . . . . 61 ARG HA . 18365 1 454 . 1 1 61 61 ARG HB2 H 1 1.09 0.014 . 1 . . . . 61 ARG QB . 18365 1 455 . 1 1 61 61 ARG HB3 H 1 1.09 0.014 . 1 . . . . 61 ARG QB . 18365 1 456 . 1 1 61 61 ARG C C 13 174.34 0.590 . 1 . . . . 61 ARG C . 18365 1 457 . 1 1 61 61 ARG CA C 13 56.44 0.590 . 1 . . . . 61 ARG CA . 18365 1 458 . 1 1 61 61 ARG CB C 13 29.5 0.590 . 1 . . . . 61 ARG CB . 18365 1 459 . 1 1 61 61 ARG N N 15 123.34 0.380 . 1 . . . . 61 ARG N . 18365 1 460 . 1 1 62 62 TRP H H 1 7.82 0.014 . 1 . . . . 62 TRP H . 18365 1 461 . 1 1 62 62 TRP HA H 1 4.57 0.014 . 1 . . . . 62 TRP HA . 18365 1 462 . 1 1 62 62 TRP HB2 H 1 2.75 0.014 . 1 . . . . 62 TRP QB . 18365 1 463 . 1 1 62 62 TRP HB3 H 1 2.75 0.014 . 1 . . . . 62 TRP QB . 18365 1 464 . 1 1 62 62 TRP C C 13 174.16 0.590 . 1 . . . . 62 TRP C . 18365 1 465 . 1 1 62 62 TRP CA C 13 57.71 0.590 . 1 . . . . 62 TRP CA . 18365 1 466 . 1 1 62 62 TRP CB C 13 29.02 0.590 . 1 . . . . 62 TRP CB . 18365 1 467 . 1 1 62 62 TRP N N 15 121.8 0.380 . 1 . . . . 62 TRP N . 18365 1 468 . 1 1 63 63 TRP H H 1 7.4 0.014 . 1 . . . . 63 TRP H . 18365 1 469 . 1 1 63 63 TRP HA H 1 4.47 0.014 . 1 . . . . 63 TRP HA . 18365 1 470 . 1 1 63 63 TRP HB2 H 1 2.5 0.014 . 2 . . . . 63 TRP HB2 . 18365 1 471 . 1 1 63 63 TRP HB3 H 1 1.95 0.014 . 2 . . . . 63 TRP HB3 . 18365 1 472 . 1 1 63 63 TRP C C 13 173.82 0.590 . 1 . . . . 63 TRP C . 18365 1 473 . 1 1 63 63 TRP CA C 13 57.26 0.590 . 1 . . . . 63 TRP CA . 18365 1 474 . 1 1 63 63 TRP CB C 13 28.96 0.590 . 1 . . . . 63 TRP CB . 18365 1 475 . 1 1 63 63 TRP N N 15 121.87 0.380 . 1 . . . . 63 TRP N . 18365 1 476 . 1 1 64 64 ALA H H 1 7.72 0.014 . 1 . . . . 64 ALA H . 18365 1 477 . 1 1 64 64 ALA HA H 1 4.18 0.014 . 1 . . . . 64 ALA HA . 18365 1 478 . 1 1 64 64 ALA HB1 H 1 0.77 0.014 . 1 . . . . 64 ALA MB . 18365 1 479 . 1 1 64 64 ALA HB2 H 1 0.77 0.014 . 1 . . . . 64 ALA MB . 18365 1 480 . 1 1 64 64 ALA HB3 H 1 0.77 0.014 . 1 . . . . 64 ALA MB . 18365 1 481 . 1 1 64 64 ALA C C 13 175.3 0.590 . 1 . . . . 64 ALA C . 18365 1 482 . 1 1 64 64 ALA CA C 13 52.57 0.590 . 1 . . . . 64 ALA CA . 18365 1 483 . 1 1 64 64 ALA CB C 13 18.66 0.590 . 1 . . . . 64 ALA CB . 18365 1 484 . 1 1 64 64 ALA N N 15 125.22 0.380 . 1 . . . . 64 ALA N . 18365 1 485 . 1 1 65 65 ASN H H 1 8.11 0.014 . 1 . . . . 65 ASN H . 18365 1 486 . 1 1 65 65 ASN HA H 1 4.66 0.014 . 1 . . . . 65 ASN HA . 18365 1 487 . 1 1 65 65 ASN HB2 H 1 2.23 0.014 . 2 . . . . 65 ASN HB2 . 18365 1 488 . 1 1 65 65 ASN HB3 H 1 2.39 0.014 . 2 . . . . 65 ASN HB3 . 18365 1 489 . 1 1 65 65 ASN C C 13 173.11 0.590 . 1 . . . . 65 ASN C . 18365 1 490 . 1 1 65 65 ASN CA C 13 53.16 0.590 . 1 . . . . 65 ASN CA . 18365 1 491 . 1 1 65 65 ASN CB C 13 38.41 0.590 . 1 . . . . 65 ASN CB . 18365 1 492 . 1 1 65 65 ASN N N 15 118.12 0.380 . 1 . . . . 65 ASN N . 18365 1 493 . 1 1 66 66 ASP H H 1 8.33 0.014 . 1 . . . . 66 ASP H . 18365 1 494 . 1 1 66 66 ASP HA H 1 4.66 0.014 . 1 . . . . 66 ASP HA . 18365 1 495 . 1 1 66 66 ASP HB2 H 1 2.67 0.014 . 2 . . . . 66 ASP HB2 . 18365 1 496 . 1 1 66 66 ASP HB3 H 1 2.76 0.014 . 2 . . . . 66 ASP HB3 . 18365 1 497 . 1 1 66 66 ASP C C 13 173.35 0.590 . 1 . . . . 66 ASP C . 18365 1 498 . 1 1 66 66 ASP CA C 13 53.09 0.590 . 1 . . . . 66 ASP CA . 18365 1 499 . 1 1 66 66 ASP CB C 13 37.56 0.590 . 1 . . . . 66 ASP CB . 18365 1 500 . 1 1 66 66 ASP N N 15 119.53 0.380 . 1 . . . . 66 ASP N . 18365 1 501 . 1 1 67 67 GLY H H 1 8.32 0.014 . 1 . . . . 67 GLY H . 18365 1 502 . 1 1 67 67 GLY HA2 H 1 3.89 0.014 . 1 . . . . 67 GLY QA . 18365 1 503 . 1 1 67 67 GLY HA3 H 1 3.89 0.014 . 1 . . . . 67 GLY QA . 18365 1 504 . 1 1 67 67 GLY C C 13 171.94 0.590 . 1 . . . . 67 GLY C . 18365 1 505 . 1 1 67 67 GLY CA C 13 45.44 0.590 . 1 . . . . 67 GLY CA . 18365 1 506 . 1 1 67 67 GLY N N 15 109.46 0.380 . 1 . . . . 67 GLY N . 18365 1 507 . 1 1 68 68 ARG H H 1 7.96 0.014 . 1 . . . . 68 ARG H . 18365 1 508 . 1 1 68 68 ARG HA H 1 4.45 0.014 . 1 . . . . 68 ARG HA . 18365 1 509 . 1 1 68 68 ARG HB2 H 1 1.31 0.014 . 2 . . . . 68 ARG HB2 . 18365 1 510 . 1 1 68 68 ARG HB3 H 1 1.39 0.014 . 2 . . . . 68 ARG HB3 . 18365 1 511 . 1 1 68 68 ARG C C 13 174.13 0.590 . 1 . . . . 68 ARG C . 18365 1 512 . 1 1 68 68 ARG CA C 13 55.75 0.590 . 1 . . . . 68 ARG CA . 18365 1 513 . 1 1 68 68 ARG CB C 13 30.63 0.590 . 1 . . . . 68 ARG CB . 18365 1 514 . 1 1 68 68 ARG N N 15 120.99 0.380 . 1 . . . . 68 ARG N . 18365 1 515 . 1 1 69 69 THR H H 1 8.25 0.014 . 1 . . . . 69 THR H . 18365 1 516 . 1 1 69 69 THR C C 13 170.91 0.590 . 1 . . . . 69 THR C . 18365 1 517 . 1 1 69 69 THR CA C 13 59.82 0.590 . 1 . . . . 69 THR CA . 18365 1 518 . 1 1 69 69 THR CB C 13 69.51 0.590 . 1 . . . . 69 THR CB . 18365 1 519 . 1 1 69 69 THR N N 15 118.25 0.380 . 1 . . . . 69 THR N . 18365 1 520 . 1 1 71 71 GLY H H 1 8.48 0.014 . 1 . . . . 71 GLY H . 18365 1 521 . 1 1 71 71 GLY HA2 H 1 4.01 0.014 . 1 . . . . 71 GLY QA . 18365 1 522 . 1 1 71 71 GLY HA3 H 1 4.01 0.014 . 1 . . . . 71 GLY QA . 18365 1 523 . 1 1 71 71 GLY C C 13 172.15 0.590 . 1 . . . . 71 GLY C . 18365 1 524 . 1 1 71 71 GLY CA C 13 45.13 0.590 . 1 . . . . 71 GLY CA . 18365 1 525 . 1 1 71 71 GLY N N 15 110.54 0.380 . 1 . . . . 71 GLY N . 18365 1 526 . 1 1 72 72 SER H H 1 8.13 0.014 . 1 . . . . 72 SER H . 18365 1 527 . 1 1 72 72 SER HA H 1 4.47 0.014 . 1 . . . . 72 SER HA . 18365 1 528 . 1 1 72 72 SER HB2 H 1 3.43 0.014 . 1 . . . . 72 SER QB . 18365 1 529 . 1 1 72 72 SER HB3 H 1 3.43 0.014 . 1 . . . . 72 SER QB . 18365 1 530 . 1 1 72 72 SER C C 13 172.58 0.590 . 1 . . . . 72 SER C . 18365 1 531 . 1 1 72 72 SER CA C 13 58.53 0.590 . 1 . . . . 72 SER CA . 18365 1 532 . 1 1 72 72 SER CB C 13 63.83 0.590 . 1 . . . . 72 SER CB . 18365 1 533 . 1 1 72 72 SER N N 15 116.63 0.380 . 1 . . . . 72 SER N . 18365 1 534 . 1 1 73 73 ARG H H 1 8.42 0.014 . 1 . . . . 73 ARG H . 18365 1 535 . 1 1 73 73 ARG HA H 1 4.36 0.014 . 1 . . . . 73 ARG HA . 18365 1 536 . 1 1 73 73 ARG HB2 H 1 1.59 0.014 . 2 . . . . 73 ARG HB2 . 18365 1 537 . 1 1 73 73 ARG HB3 H 1 1.69 0.014 . 2 . . . . 73 ARG HB3 . 18365 1 538 . 1 1 73 73 ARG C C 13 173.72 0.590 . 1 . . . . 73 ARG C . 18365 1 539 . 1 1 73 73 ARG CA C 13 56.08 0.590 . 1 . . . . 73 ARG CA . 18365 1 540 . 1 1 73 73 ARG CB C 13 30.42 0.590 . 1 . . . . 73 ARG CB . 18365 1 541 . 1 1 73 73 ARG N N 15 123.75 0.380 . 1 . . . . 73 ARG N . 18365 1 542 . 1 1 74 74 ASN H H 1 8.44 0.014 . 1 . . . . 74 ASN H . 18365 1 543 . 1 1 74 74 ASN HA H 1 4.72 0.014 . 1 . . . . 74 ASN HA . 18365 1 544 . 1 1 74 74 ASN HB2 H 1 2.26 0.014 . 2 . . . . 74 ASN HB2 . 18365 1 545 . 1 1 74 74 ASN HB3 H 1 2.41 0.014 . 2 . . . . 74 ASN HB3 . 18365 1 546 . 1 1 74 74 ASN C C 13 173.02 0.590 . 1 . . . . 74 ASN C . 18365 1 547 . 1 1 74 74 ASN CA C 13 53.09 0.590 . 1 . . . . 74 ASN CA . 18365 1 548 . 1 1 74 74 ASN CB C 13 38.39 0.590 . 1 . . . . 74 ASN CB . 18365 1 549 . 1 1 74 74 ASN N N 15 120.85 0.380 . 1 . . . . 74 ASN N . 18365 1 550 . 1 1 75 75 LEU H H 1 8.27 0.014 . 1 . . . . 75 LEU H . 18365 1 551 . 1 1 75 75 LEU HA H 1 4.35 0.014 . 1 . . . . 75 LEU HA . 18365 1 552 . 1 1 75 75 LEU HB2 H 1 1.2 0.014 . 1 . . . . 75 LEU QB . 18365 1 553 . 1 1 75 75 LEU HB3 H 1 1.2 0.014 . 1 . . . . 75 LEU QB . 18365 1 554 . 1 1 75 75 LEU C C 13 174.92 0.590 . 1 . . . . 75 LEU C . 18365 1 555 . 1 1 75 75 LEU CA C 13 55.21 0.590 . 1 . . . . 75 LEU CA . 18365 1 556 . 1 1 75 75 LEU CB C 13 41.98 0.590 . 1 . . . . 75 LEU CB . 18365 1 557 . 1 1 75 75 LEU N N 15 124.28 0.380 . 1 . . . . 75 LEU N . 18365 1 558 . 1 1 76 76 ALA H H 1 8.19 0.014 . 1 . . . . 76 ALA H . 18365 1 559 . 1 1 76 76 ALA HA H 1 4.31 0.014 . 1 . . . . 76 ALA HA . 18365 1 560 . 1 1 76 76 ALA HB1 H 1 0.93 0.014 . 1 . . . . 76 ALA MB . 18365 1 561 . 1 1 76 76 ALA HB2 H 1 0.93 0.014 . 1 . . . . 76 ALA MB . 18365 1 562 . 1 1 76 76 ALA HB3 H 1 0.93 0.014 . 1 . . . . 76 ALA MB . 18365 1 563 . 1 1 76 76 ALA C C 13 175.17 0.590 . 1 . . . . 76 ALA C . 18365 1 564 . 1 1 76 76 ALA CA C 13 52.4 0.590 . 1 . . . . 76 ALA CA . 18365 1 565 . 1 1 76 76 ALA CB C 13 18.87 0.590 . 1 . . . . 76 ALA CB . 18365 1 566 . 1 1 76 76 ALA N N 15 124.58 0.380 . 1 . . . . 76 ALA N . 18365 1 567 . 1 1 77 77 ASN H H 1 8.28 0.014 . 1 . . . . 77 ASN H . 18365 1 568 . 1 1 77 77 ASN HA H 1 4.71 0.014 . 1 . . . . 77 ASN HA . 18365 1 569 . 1 1 77 77 ASN HB2 H 1 2.25 0.014 . 2 . . . . 77 ASN HB2 . 18365 1 570 . 1 1 77 77 ASN HB3 H 1 2.35 0.014 . 2 . . . . 77 ASN HB3 . 18365 1 571 . 1 1 77 77 ASN C C 13 172.44 0.590 . 1 . . . . 77 ASN C . 18365 1 572 . 1 1 77 77 ASN CA C 13 52.73 0.590 . 1 . . . . 77 ASN CA . 18365 1 573 . 1 1 77 77 ASN CB C 13 38.54 0.590 . 1 . . . . 77 ASN CB . 18365 1 574 . 1 1 77 77 ASN N N 15 118.42 0.380 . 1 . . . . 77 ASN N . 18365 1 575 . 1 1 78 78 ILE H H 1 8.02 0.014 . 1 . . . . 78 ILE H . 18365 1 576 . 1 1 78 78 ILE C C 13 172.23 0.590 . 1 . . . . 78 ILE C . 18365 1 577 . 1 1 78 78 ILE CA C 13 58.66 0.590 . 1 . . . . 78 ILE CA . 18365 1 578 . 1 1 78 78 ILE CB C 13 38.43 0.590 . 1 . . . . 78 ILE CB . 18365 1 579 . 1 1 78 78 ILE N N 15 123.96 0.380 . 1 . . . . 78 ILE N . 18365 1 580 . 1 1 80 80 ALA H H 1 8.49 0.014 . 1 . . . . 80 ALA H . 18365 1 581 . 1 1 80 80 ALA HA H 1 4.26 0.014 . 1 . . . . 80 ALA HA . 18365 1 582 . 1 1 80 80 ALA HB1 H 1 0.98 0.014 . 1 . . . . 80 ALA MB . 18365 1 583 . 1 1 80 80 ALA HB2 H 1 0.98 0.014 . 1 . . . . 80 ALA MB . 18365 1 584 . 1 1 80 80 ALA HB3 H 1 0.98 0.014 . 1 . . . . 80 ALA MB . 18365 1 585 . 1 1 80 80 ALA C C 13 176.36 0.590 . 1 . . . . 80 ALA C . 18365 1 586 . 1 1 80 80 ALA CA C 13 53.16 0.590 . 1 . . . . 80 ALA CA . 18365 1 587 . 1 1 80 80 ALA CB C 13 18.53 0.590 . 1 . . . . 80 ALA CB . 18365 1 588 . 1 1 80 80 ALA N N 15 125.66 0.380 . 1 . . . . 80 ALA N . 18365 1 589 . 1 1 81 81 SER H H 1 8.26 0.014 . 1 . . . . 81 SER H . 18365 1 590 . 1 1 81 81 SER HA H 1 4.37 0.014 . 1 . . . . 81 SER HA . 18365 1 591 . 1 1 81 81 SER HB2 H 1 3.46 0.014 . 2 . . . . 81 SER HB2 . 18365 1 592 . 1 1 81 81 SER HB3 H 1 3.4 0.014 . 2 . . . . 81 SER HB3 . 18365 1 593 . 1 1 81 81 SER C C 13 172.69 0.590 . 1 . . . . 81 SER C . 18365 1 594 . 1 1 81 81 SER CA C 13 58.68 0.590 . 1 . . . . 81 SER CA . 18365 1 595 . 1 1 81 81 SER CB C 13 63.41 0.590 . 1 . . . . 81 SER CB . 18365 1 596 . 1 1 81 81 SER N N 15 114.97 0.380 . 1 . . . . 81 SER N . 18365 1 597 . 1 1 82 82 ALA H H 1 8.23 0.014 . 1 . . . . 82 ALA H . 18365 1 598 . 1 1 82 82 ALA HA H 1 4.37 0.014 . 1 . . . . 82 ALA HA . 18365 1 599 . 1 1 82 82 ALA HB1 H 1 0.96 0.014 . 1 . . . . 82 ALA MB . 18365 1 600 . 1 1 82 82 ALA HB2 H 1 0.96 0.014 . 1 . . . . 82 ALA MB . 18365 1 601 . 1 1 82 82 ALA HB3 H 1 0.96 0.014 . 1 . . . . 82 ALA MB . 18365 1 602 . 1 1 82 82 ALA C C 13 175.75 0.590 . 1 . . . . 82 ALA C . 18365 1 603 . 1 1 82 82 ALA CA C 13 52.62 0.590 . 1 . . . . 82 ALA CA . 18365 1 604 . 1 1 82 82 ALA CB C 13 18.78 0.590 . 1 . . . . 82 ALA CB . 18365 1 605 . 1 1 82 82 ALA N N 15 126.97 0.380 . 1 . . . . 82 ALA N . 18365 1 606 . 1 1 83 83 LEU H H 1 7.98 0.014 . 1 . . . . 83 LEU H . 18365 1 607 . 1 1 83 83 LEU HA H 1 4.34 0.014 . 1 . . . . 83 LEU HA . 18365 1 608 . 1 1 83 83 LEU HB2 H 1 1.21 0.014 . 1 . . . . 83 LEU QB . 18365 1 609 . 1 1 83 83 LEU HB3 H 1 1.21 0.014 . 1 . . . . 83 LEU QB . 18365 1 610 . 1 1 83 83 LEU C C 13 175.42 0.590 . 1 . . . . 83 LEU C . 18365 1 611 . 1 1 83 83 LEU CA C 13 55.38 0.590 . 1 . . . . 83 LEU CA . 18365 1 612 . 1 1 83 83 LEU CB C 13 41.97 0.590 . 1 . . . . 83 LEU CB . 18365 1 613 . 1 1 83 83 LEU N N 15 121.5 0.380 . 1 . . . . 83 LEU N . 18365 1 614 . 1 1 84 84 LEU H H 1 8.04 0.014 . 1 . . . . 84 LEU H . 18365 1 615 . 1 1 84 84 LEU HA H 1 4.42 0.014 . 1 . . . . 84 LEU HA . 18365 1 616 . 1 1 84 84 LEU HB2 H 1 1.24 0.014 . 1 . . . . 84 LEU QB . 18365 1 617 . 1 1 84 84 LEU HB3 H 1 1.24 0.014 . 1 . . . . 84 LEU QB . 18365 1 618 . 1 1 84 84 LEU C C 13 175.59 0.590 . 1 . . . . 84 LEU C . 18365 1 619 . 1 1 84 84 LEU CA C 13 55.3 0.590 . 1 . . . . 84 LEU CA . 18365 1 620 . 1 1 84 84 LEU CB C 13 42.04 0.590 . 1 . . . . 84 LEU CB . 18365 1 621 . 1 1 84 84 LEU N N 15 123.18 0.380 . 1 . . . . 84 LEU N . 18365 1 622 . 1 1 85 85 SER H H 1 8.23 0.014 . 1 . . . . 85 SER H . 18365 1 623 . 1 1 85 85 SER HA H 1 4.45 0.014 . 1 . . . . 85 SER HA . 18365 1 624 . 1 1 85 85 SER HB2 H 1 3.48 0.014 . 2 . . . . 85 SER HB2 . 18365 1 625 . 1 1 85 85 SER HB3 H 1 3.42 0.014 . 2 . . . . 85 SER HB3 . 18365 1 626 . 1 1 85 85 SER C C 13 172.7 0.590 . 1 . . . . 85 SER C . 18365 1 627 . 1 1 85 85 SER CA C 13 58.69 0.590 . 1 . . . . 85 SER CA . 18365 1 628 . 1 1 85 85 SER CB C 13 63.57 0.590 . 1 . . . . 85 SER CB . 18365 1 629 . 1 1 85 85 SER N N 15 117.14 0.380 . 1 . . . . 85 SER N . 18365 1 630 . 1 1 86 86 SER H H 1 8.27 0.014 . 1 . . . . 86 SER H . 18365 1 631 . 1 1 86 86 SER HA H 1 4.49 0.014 . 1 . . . . 86 SER HA . 18365 1 632 . 1 1 86 86 SER HB2 H 1 3.48 0.014 . 2 . . . . 86 SER HB2 . 18365 1 633 . 1 1 86 86 SER HB3 H 1 3.43 0.014 . 2 . . . . 86 SER HB3 . 18365 1 634 . 1 1 86 86 SER C C 13 172.3 0.590 . 1 . . . . 86 SER C . 18365 1 635 . 1 1 86 86 SER CA C 13 58.68 0.590 . 1 . . . . 86 SER CA . 18365 1 636 . 1 1 86 86 SER CB C 13 63.59 0.590 . 1 . . . . 86 SER CB . 18365 1 637 . 1 1 86 86 SER N N 15 118.36 0.380 . 1 . . . . 86 SER N . 18365 1 638 . 1 1 87 87 ASP H H 1 8.4 0.014 . 1 . . . . 87 ASP H . 18365 1 639 . 1 1 87 87 ASP HA H 1 4.8 0.014 . 1 . . . . 87 ASP HA . 18365 1 640 . 1 1 87 87 ASP HB2 H 1 2.42 0.014 . 2 . . . . 87 ASP HB2 . 18365 1 641 . 1 1 87 87 ASP HB3 H 1 2.5 0.014 . 2 . . . . 87 ASP HB3 . 18365 1 642 . 1 1 87 87 ASP C C 13 173.12 0.590 . 1 . . . . 87 ASP C . 18365 1 643 . 1 1 87 87 ASP CA C 13 53.01 0.590 . 1 . . . . 87 ASP CA . 18365 1 644 . 1 1 87 87 ASP CB C 13 37.58 0.590 . 1 . . . . 87 ASP CB . 18365 1 645 . 1 1 87 87 ASP N N 15 121.99 0.380 . 1 . . . . 87 ASP N . 18365 1 646 . 1 1 88 88 ILE H H 1 8.08 0.014 . 1 . . . . 88 ILE H . 18365 1 647 . 1 1 88 88 ILE HA H 1 4.23 0.014 . 1 . . . . 88 ILE HA . 18365 1 648 . 1 1 88 88 ILE HB H 1 1.48 0.014 . 1 . . . . 88 ILE HB . 18365 1 649 . 1 1 88 88 ILE C C 13 174.51 0.590 . 1 . . . . 88 ILE C . 18365 1 650 . 1 1 88 88 ILE CA C 13 61.77 0.590 . 1 . . . . 88 ILE CA . 18365 1 651 . 1 1 88 88 ILE CB C 13 38.16 0.590 . 1 . . . . 88 ILE CB . 18365 1 652 . 1 1 88 88 ILE N N 15 122.49 0.380 . 1 . . . . 88 ILE N . 18365 1 653 . 1 1 89 89 THR H H 1 8.17 0.014 . 1 . . . . 89 THR H . 18365 1 654 . 1 1 89 89 THR HA H 1 4.3 0.014 . 1 . . . . 89 THR HA . 18365 1 655 . 1 1 89 89 THR HB H 1 4.13 0.014 . 1 . . . . 89 THR HB . 18365 1 656 . 1 1 89 89 THR C C 13 172.27 0.590 . 1 . . . . 89 THR C . 18365 1 657 . 1 1 89 89 THR CA C 13 62.07 0.590 . 1 . . . . 89 THR CA . 18365 1 658 . 1 1 89 89 THR CB C 13 69.54 0.590 . 1 . . . . 89 THR CB . 18365 1 659 . 1 1 89 89 THR N N 15 119.2 0.380 . 1 . . . . 89 THR N . 18365 1 660 . 1 1 90 90 ALA H H 1 8.26 0.014 . 1 . . . . 90 ALA H . 18365 1 661 . 1 1 90 90 ALA HA H 1 4.37 0.014 . 1 . . . . 90 ALA HA . 18365 1 662 . 1 1 90 90 ALA HB1 H 1 0.98 0.014 . 1 . . . . 90 ALA MB . 18365 1 663 . 1 1 90 90 ALA HB2 H 1 0.98 0.014 . 1 . . . . 90 ALA MB . 18365 1 664 . 1 1 90 90 ALA HB3 H 1 0.98 0.014 . 1 . . . . 90 ALA MB . 18365 1 665 . 1 1 90 90 ALA C C 13 175.91 0.590 . 1 . . . . 90 ALA C . 18365 1 666 . 1 1 90 90 ALA CA C 13 52.7 0.590 . 1 . . . . 90 ALA CA . 18365 1 667 . 1 1 90 90 ALA CB C 13 18.84 0.590 . 1 . . . . 90 ALA CB . 18365 1 668 . 1 1 90 90 ALA N N 15 127.34 0.380 . 1 . . . . 90 ALA N . 18365 1 669 . 1 1 91 91 SER H H 1 8.28 0.014 . 1 . . . . 91 SER H . 18365 1 670 . 1 1 91 91 SER HA H 1 4.48 0.014 . 1 . . . . 91 SER HA . 18365 1 671 . 1 1 91 91 SER HB2 H 1 3.93 0.014 . 2 . . . . 91 SER HB2 . 18365 1 672 . 1 1 91 91 SER HB3 H 1 3.75 0.014 . 2 . . . . 91 SER HB3 . 18365 1 673 . 1 1 91 91 SER C C 13 172.98 0.590 . 1 . . . . 91 SER C . 18365 1 674 . 1 1 91 91 SER CA C 13 58.65 0.590 . 1 . . . . 91 SER CA . 18365 1 675 . 1 1 91 91 SER CB C 13 63.57 0.590 . 1 . . . . 91 SER CB . 18365 1 676 . 1 1 91 91 SER N N 15 116.55 0.380 . 1 . . . . 91 SER N . 18365 1 677 . 1 1 92 92 VAL H H 1 8.18 0.014 . 1 . . . . 92 VAL H . 18365 1 678 . 1 1 92 92 VAL HA H 1 4.12 0.014 . 1 . . . . 92 VAL HA . 18365 1 679 . 1 1 92 92 VAL HB H 1 1.67 0.014 . 1 . . . . 92 VAL HB . 18365 1 680 . 1 1 92 92 VAL C C 13 174.18 0.590 . 1 . . . . 92 VAL C . 18365 1 681 . 1 1 92 92 VAL CA C 13 62.93 0.590 . 1 . . . . 92 VAL CA . 18365 1 682 . 1 1 92 92 VAL CB C 13 32.24 0.590 . 1 . . . . 92 VAL CB . 18365 1 683 . 1 1 92 92 VAL N N 15 123.21 0.380 . 1 . . . . 92 VAL N . 18365 1 684 . 1 1 93 93 ASN H H 1 8.43 0.014 . 1 . . . . 93 ASN H . 18365 1 685 . 1 1 93 93 ASN HA H 1 4.71 0.014 . 1 . . . . 93 ASN HA . 18365 1 686 . 1 1 93 93 ASN HB2 H 1 2.6 0.014 . 2 . . . . 93 ASN HB2 . 18365 1 687 . 1 1 93 93 ASN HB3 H 1 2.69 0.014 . 2 . . . . 93 ASN HB3 . 18365 1 688 . 1 1 93 93 ASN C C 13 173.23 0.590 . 1 . . . . 93 ASN C . 18365 1 689 . 1 1 93 93 ASN CA C 13 53.44 0.590 . 1 . . . . 93 ASN CA . 18365 1 690 . 1 1 93 93 ASN CB C 13 38.48 0.590 . 1 . . . . 93 ASN CB . 18365 1 691 . 1 1 93 93 ASN N N 15 122.59 0.380 . 1 . . . . 93 ASN N . 18365 1 692 . 1 1 94 94 ALA H H 1 8.21 0.014 . 1 . . . . 94 ALA H . 18365 1 693 . 1 1 94 94 ALA HA H 1 4.29 0.014 . 1 . . . . 94 ALA HA . 18365 1 694 . 1 1 94 94 ALA HB1 H 1 0.97 0.014 . 1 . . . . 94 ALA MB . 18365 1 695 . 1 1 94 94 ALA HB2 H 1 0.97 0.014 . 1 . . . . 94 ALA MB . 18365 1 696 . 1 1 94 94 ALA HB3 H 1 0.97 0.014 . 1 . . . . 94 ALA MB . 18365 1 697 . 1 1 94 94 ALA C C 13 175.6 0.590 . 1 . . . . 94 ALA C . 18365 1 698 . 1 1 94 94 ALA CA C 13 52.74 0.590 . 1 . . . . 94 ALA CA . 18365 1 699 . 1 1 94 94 ALA CB C 13 18.74 0.590 . 1 . . . . 94 ALA CB . 18365 1 700 . 1 1 94 94 ALA N N 15 125.74 0.380 . 1 . . . . 94 ALA N . 18365 1 701 . 1 1 95 95 ALA H H 1 8.15 0.014 . 1 . . . . 95 ALA H . 18365 1 702 . 1 1 95 95 ALA HA H 1 4.3 0.014 . 1 . . . . 95 ALA HA . 18365 1 703 . 1 1 95 95 ALA HB1 H 1 0.97 0.014 . 1 . . . . 95 ALA MB . 18365 1 704 . 1 1 95 95 ALA HB2 H 1 0.97 0.014 . 1 . . . . 95 ALA MB . 18365 1 705 . 1 1 95 95 ALA HB3 H 1 0.97 0.014 . 1 . . . . 95 ALA MB . 18365 1 706 . 1 1 95 95 ALA C C 13 175.81 0.590 . 1 . . . . 95 ALA C . 18365 1 707 . 1 1 95 95 ALA CA C 13 52.6 0.590 . 1 . . . . 95 ALA CA . 18365 1 708 . 1 1 95 95 ALA CB C 13 18.7 0.590 . 1 . . . . 95 ALA CB . 18365 1 709 . 1 1 95 95 ALA N N 15 123.6 0.380 . 1 . . . . 95 ALA N . 18365 1 710 . 1 1 96 96 LYS H H 1 8.11 0.014 . 1 . . . . 96 LYS H . 18365 1 711 . 1 1 96 96 LYS HA H 1 4.29 0.014 . 1 . . . . 96 LYS HA . 18365 1 712 . 1 1 96 96 LYS HB2 H 1 1.32 0.014 . 1 . . . . 96 LYS QB . 18365 1 713 . 1 1 96 96 LYS HB3 H 1 1.32 0.014 . 1 . . . . 96 LYS QB . 18365 1 714 . 1 1 96 96 LYS C C 13 174.38 0.590 . 1 . . . . 96 LYS C . 18365 1 715 . 1 1 96 96 LYS CA C 13 56.25 0.590 . 1 . . . . 96 LYS CA . 18365 1 716 . 1 1 96 96 LYS CB C 13 32.73 0.590 . 1 . . . . 96 LYS CB . 18365 1 717 . 1 1 96 96 LYS N N 15 121.23 0.380 . 1 . . . . 96 LYS N . 18365 1 718 . 1 1 97 97 LYS H H 1 8.21 0.014 . 1 . . . . 97 LYS H . 18365 1 719 . 1 1 97 97 LYS HA H 1 4.34 0.014 . 1 . . . . 97 LYS HA . 18365 1 720 . 1 1 97 97 LYS HB2 H 1 1.31 0.014 . 1 . . . . 97 LYS QB . 18365 1 721 . 1 1 97 97 LYS HB3 H 1 1.31 0.014 . 1 . . . . 97 LYS QB . 18365 1 722 . 1 1 97 97 LYS C C 13 174.16 0.590 . 1 . . . . 97 LYS C . 18365 1 723 . 1 1 97 97 LYS CA C 13 56.18 0.590 . 1 . . . . 97 LYS CA . 18365 1 724 . 1 1 97 97 LYS CB C 13 32.69 0.590 . 1 . . . . 97 LYS CB . 18365 1 725 . 1 1 97 97 LYS N N 15 123.85 0.380 . 1 . . . . 97 LYS N . 18365 1 726 . 1 1 98 98 ILE H H 1 8.23 0.014 . 1 . . . . 98 ILE H . 18365 1 727 . 1 1 98 98 ILE HA H 1 4.2 0.014 . 1 . . . . 98 ILE HA . 18365 1 728 . 1 1 98 98 ILE HB H 1 1.4 0.014 . 1 . . . . 98 ILE HB . 18365 1 729 . 1 1 98 98 ILE C C 13 174.17 0.590 . 1 . . . . 98 ILE C . 18365 1 730 . 1 1 98 98 ILE CA C 13 60.94 0.590 . 1 . . . . 98 ILE CA . 18365 1 731 . 1 1 98 98 ILE CB C 13 38.3 0.590 . 1 . . . . 98 ILE CB . 18365 1 732 . 1 1 98 98 ILE N N 15 124.42 0.380 . 1 . . . . 98 ILE N . 18365 1 733 . 1 1 99 99 VAL H H 1 8.32 0.014 . 1 . . . . 99 VAL H . 18365 1 734 . 1 1 99 99 VAL HA H 1 4.2 0.014 . 1 . . . . 99 VAL HA . 18365 1 735 . 1 1 99 99 VAL C C 13 173.9 0.590 . 1 . . . . 99 VAL C . 18365 1 736 . 1 1 99 99 VAL CA C 13 62.09 0.590 . 1 . . . . 99 VAL CA . 18365 1 737 . 1 1 99 99 VAL CB C 13 32.53 0.590 . 1 . . . . 99 VAL CB . 18365 1 738 . 1 1 99 99 VAL N N 15 126.35 0.380 . 1 . . . . 99 VAL N . 18365 1 739 . 1 1 100 100 SER H H 1 8.46 0.014 . 1 . . . . 100 SER H . 18365 1 740 . 1 1 100 100 SER HA H 1 4.53 0.014 . 1 . . . . 100 SER HA . 18365 1 741 . 1 1 100 100 SER HB2 H 1 3.71 0.014 . 2 . . . . 100 SER HB2 . 18365 1 742 . 1 1 100 100 SER HB3 H 1 3.4 0.014 . 2 . . . . 100 SER HB3 . 18365 1 743 . 1 1 100 100 SER C C 13 172.19 0.590 . 1 . . . . 100 SER C . 18365 1 744 . 1 1 100 100 SER CA C 13 58.03 0.590 . 1 . . . . 100 SER CA . 18365 1 745 . 1 1 100 100 SER CB C 13 63.75 0.590 . 1 . . . . 100 SER CB . 18365 1 746 . 1 1 100 100 SER N N 15 120.92 0.380 . 1 . . . . 100 SER N . 18365 1 747 . 1 1 101 101 ASP H H 1 8.58 0.014 . 1 . . . . 101 ASP H . 18365 1 748 . 1 1 101 101 ASP HA H 1 4.83 0.014 . 1 . . . . 101 ASP HA . 18365 1 749 . 1 1 101 101 ASP HB2 H 1 2.77 0.014 . 1 . . . . 101 ASP QB . 18365 1 750 . 1 1 101 101 ASP HB3 H 1 2.77 0.014 . 1 . . . . 101 ASP QB . 18365 1 751 . 1 1 101 101 ASP C C 13 173.47 0.590 . 1 . . . . 101 ASP C . 18365 1 752 . 1 1 101 101 ASP CA C 13 52.68 0.590 . 1 . . . . 101 ASP CA . 18365 1 753 . 1 1 101 101 ASP CB C 13 37.7 0.590 . 1 . . . . 101 ASP CB . 18365 1 754 . 1 1 101 101 ASP N N 15 122.59 0.380 . 1 . . . . 101 ASP N . 18365 1 755 . 1 1 102 102 GLY H H 1 8.41 0.014 . 1 . . . . 102 GLY H . 18365 1 756 . 1 1 102 102 GLY HA2 H 1 4.01 0.014 . 1 . . . . 102 GLY QA . 18365 1 757 . 1 1 102 102 GLY HA3 H 1 4.01 0.014 . 1 . . . . 102 GLY QA . 18365 1 758 . 1 1 102 102 GLY C C 13 171.91 0.590 . 1 . . . . 102 GLY C . 18365 1 759 . 1 1 102 102 GLY CA C 13 45.44 0.590 . 1 . . . . 102 GLY CA . 18365 1 760 . 1 1 102 102 GLY N N 15 110.46 0.380 . 1 . . . . 102 GLY N . 18365 1 761 . 1 1 103 103 ASN H H 1 8.36 0.014 . 1 . . . . 103 ASN H . 18365 1 762 . 1 1 103 103 ASN HA H 1 4.77 0.014 . 1 . . . . 103 ASN HA . 18365 1 763 . 1 1 103 103 ASN HB2 H 1 2.38 0.014 . 1 . . . . 103 ASN QB . 18365 1 764 . 1 1 103 103 ASN HB3 H 1 2.38 0.014 . 1 . . . . 103 ASN QB . 18365 1 765 . 1 1 103 103 ASN C C 13 173.86 0.590 . 1 . . . . 103 ASN C . 18365 1 766 . 1 1 103 103 ASN CA C 13 53.19 0.590 . 1 . . . . 103 ASN CA . 18365 1 767 . 1 1 103 103 ASN CB C 13 38.62 0.590 . 1 . . . . 103 ASN CB . 18365 1 768 . 1 1 103 103 ASN N N 15 119.71 0.380 . 1 . . . . 103 ASN N . 18365 1 769 . 1 1 104 104 GLY H H 1 8.48 0.014 . 1 . . . . 104 GLY H . 18365 1 770 . 1 1 104 104 GLY HA2 H 1 4 0.014 . 1 . . . . 104 GLY QA . 18365 1 771 . 1 1 104 104 GLY HA3 H 1 4 0.014 . 1 . . . . 104 GLY QA . 18365 1 772 . 1 1 104 104 GLY C C 13 172.46 0.590 . 1 . . . . 104 GLY C . 18365 1 773 . 1 1 104 104 GLY CA C 13 45.36 0.590 . 1 . . . . 104 GLY CA . 18365 1 774 . 1 1 104 104 GLY N N 15 110.41 0.380 . 1 . . . . 104 GLY N . 18365 1 775 . 1 1 105 105 MET H H 1 8.22 0.014 . 1 . . . . 105 MET H . 18365 1 776 . 1 1 105 105 MET HA H 1 4.47 0.014 . 1 . . . . 105 MET HA . 18365 1 777 . 1 1 105 105 MET HB2 H 1 1.57 0.014 . 1 . . . . 105 MET QB . 18365 1 778 . 1 1 105 105 MET HB3 H 1 1.57 0.014 . 1 . . . . 105 MET QB . 18365 1 779 . 1 1 105 105 MET C C 13 174.23 0.590 . 1 . . . . 105 MET C . 18365 1 780 . 1 1 105 105 MET CA C 13 55.73 0.590 . 1 . . . . 105 MET CA . 18365 1 781 . 1 1 105 105 MET CB C 13 32.19 0.590 . 1 . . . . 105 MET CB . 18365 1 782 . 1 1 105 105 MET N N 15 120.99 0.380 . 1 . . . . 105 MET N . 18365 1 783 . 1 1 106 106 ASN H H 1 8.41 0.014 . 1 . . . . 106 ASN H . 18365 1 784 . 1 1 106 106 ASN HA H 1 4.64 0.014 . 1 . . . . 106 ASN HA . 18365 1 785 . 1 1 106 106 ASN HB2 H 1 2.28 0.014 . 1 . . . . 106 ASN QB . 18365 1 786 . 1 1 106 106 ASN HB3 H 1 2.28 0.014 . 1 . . . . 106 ASN QB . 18365 1 787 . 1 1 106 106 ASN C C 13 173.35 0.590 . 1 . . . . 106 ASN C . 18365 1 788 . 1 1 106 106 ASN CA C 13 53.73 0.590 . 1 . . . . 106 ASN CA . 18365 1 789 . 1 1 106 106 ASN CB C 13 38.29 0.590 . 1 . . . . 106 ASN CB . 18365 1 790 . 1 1 106 106 ASN N N 15 120.43 0.380 . 1 . . . . 106 ASN N . 18365 1 791 . 1 1 107 107 ALA H H 1 8.21 0.014 . 1 . . . . 107 ALA H . 18365 1 792 . 1 1 107 107 ALA HA H 1 4.25 0.014 . 1 . . . . 107 ALA HA . 18365 1 793 . 1 1 107 107 ALA HB1 H 1 0.88 0.014 . 1 . . . . 107 ALA MB . 18365 1 794 . 1 1 107 107 ALA HB2 H 1 0.88 0.014 . 1 . . . . 107 ALA MB . 18365 1 795 . 1 1 107 107 ALA HB3 H 1 0.88 0.014 . 1 . . . . 107 ALA MB . 18365 1 796 . 1 1 107 107 ALA C C 13 175.81 0.590 . 1 . . . . 107 ALA C . 18365 1 797 . 1 1 107 107 ALA CA C 13 53.46 0.590 . 1 . . . . 107 ALA CA . 18365 1 798 . 1 1 107 107 ALA CB C 13 18.51 0.590 . 1 . . . . 107 ALA CB . 18365 1 799 . 1 1 107 107 ALA N N 15 124.94 0.380 . 1 . . . . 107 ALA N . 18365 1 800 . 1 1 108 108 TRP H H 1 8.05 0.014 . 1 . . . . 108 TRP H . 18365 1 801 . 1 1 108 108 TRP HA H 1 4.58 0.014 . 1 . . . . 108 TRP HA . 18365 1 802 . 1 1 108 108 TRP HB2 H 1 2.87 0.014 . 2 . . . . 108 TRP HB2 . 18365 1 803 . 1 1 108 108 TRP HB3 H 1 2.82 0.014 . 2 . . . . 108 TRP HB3 . 18365 1 804 . 1 1 108 108 TRP C C 13 174.63 0.590 . 1 . . . . 108 TRP C . 18365 1 805 . 1 1 108 108 TRP CA C 13 58.35 0.590 . 1 . . . . 108 TRP CA . 18365 1 806 . 1 1 108 108 TRP CB C 13 28.9 0.590 . 1 . . . . 108 TRP CB . 18365 1 807 . 1 1 108 108 TRP N N 15 120.93 0.380 . 1 . . . . 108 TRP N . 18365 1 808 . 1 1 109 109 VAL H H 1 7.77 0.014 . 1 . . . . 109 VAL H . 18365 1 809 . 1 1 109 109 VAL HA H 1 3.78 0.014 . 1 . . . . 109 VAL HA . 18365 1 810 . 1 1 109 109 VAL HB H 1 1.45 0.014 . 1 . . . . 109 VAL HB . 18365 1 811 . 1 1 109 109 VAL C C 13 174.21 0.590 . 1 . . . . 109 VAL C . 18365 1 812 . 1 1 109 109 VAL CA C 13 63.42 0.590 . 1 . . . . 109 VAL CA . 18365 1 813 . 1 1 109 109 VAL CB C 13 32.34 0.590 . 1 . . . . 109 VAL CB . 18365 1 814 . 1 1 109 109 VAL N N 15 122.35 0.380 . 1 . . . . 109 VAL N . 18365 1 815 . 1 1 110 110 ALA H H 1 8.03 0.014 . 1 . . . . 110 ALA H . 18365 1 816 . 1 1 110 110 ALA HA H 1 4.13 0.014 . 1 . . . . 110 ALA HA . 18365 1 817 . 1 1 110 110 ALA HB1 H 1 0.92 0.014 . 1 . . . . 110 ALA MB . 18365 1 818 . 1 1 110 110 ALA HB2 H 1 0.92 0.014 . 1 . . . . 110 ALA MB . 18365 1 819 . 1 1 110 110 ALA HB3 H 1 0.92 0.014 . 1 . . . . 110 ALA MB . 18365 1 820 . 1 1 110 110 ALA C C 13 176.46 0.590 . 1 . . . . 110 ALA C . 18365 1 821 . 1 1 110 110 ALA CA C 13 53.44 0.590 . 1 . . . . 110 ALA CA . 18365 1 822 . 1 1 110 110 ALA CB C 13 18.33 0.590 . 1 . . . . 110 ALA CB . 18365 1 823 . 1 1 110 110 ALA N N 15 125.82 0.380 . 1 . . . . 110 ALA N . 18365 1 824 . 1 1 111 111 TRP H H 1 7.91 0.014 . 1 . . . . 111 TRP H . 18365 1 825 . 1 1 111 111 TRP HA H 1 4.48 0.014 . 1 . . . . 111 TRP HA . 18365 1 826 . 1 1 111 111 TRP HB2 H 1 2.86 0.014 . 1 . . . . 111 TRP QB . 18365 1 827 . 1 1 111 111 TRP HB3 H 1 2.86 0.014 . 1 . . . . 111 TRP QB . 18365 1 828 . 1 1 111 111 TRP C C 13 175.03 0.590 . 1 . . . . 111 TRP C . 18365 1 829 . 1 1 111 111 TRP CA C 13 58.37 0.590 . 1 . . . . 111 TRP CA . 18365 1 830 . 1 1 111 111 TRP CB C 13 28.75 0.590 . 1 . . . . 111 TRP CB . 18365 1 831 . 1 1 111 111 TRP N N 15 120.32 0.380 . 1 . . . . 111 TRP N . 18365 1 832 . 1 1 112 112 ARG H H 1 7.97 0.014 . 1 . . . . 112 ARG H . 18365 1 833 . 1 1 112 112 ARG HA H 1 3.96 0.014 . 1 . . . . 112 ARG HA . 18365 1 834 . 1 1 112 112 ARG HB2 H 1 1.09 0.014 . 2 . . . . 112 ARG HB2 . 18365 1 835 . 1 1 112 112 ARG HB3 H 1 1.21 0.014 . 2 . . . . 112 ARG HB3 . 18365 1 836 . 1 1 112 112 ARG C C 13 174.34 0.590 . 1 . . . . 112 ARG C . 18365 1 837 . 1 1 112 112 ARG CA C 13 57.05 0.590 . 1 . . . . 112 ARG CA . 18365 1 838 . 1 1 112 112 ARG CB C 13 29.92 0.590 . 1 . . . . 112 ARG CB . 18365 1 839 . 1 1 112 112 ARG N N 15 122.18 0.380 . 1 . . . . 112 ARG N . 18365 1 840 . 1 1 113 113 ASN H H 1 8.1 0.014 . 1 . . . . 113 ASN H . 18365 1 841 . 1 1 113 113 ASN HA H 1 4.63 0.014 . 1 . . . . 113 ASN HA . 18365 1 842 . 1 1 113 113 ASN HB2 H 1 2.23 0.014 . 2 . . . . 113 ASN HB2 . 18365 1 843 . 1 1 113 113 ASN HB3 H 1 2.4 0.014 . 2 . . . . 113 ASN HB3 . 18365 1 844 . 1 1 113 113 ASN C C 13 173.26 0.590 . 1 . . . . 113 ASN C . 18365 1 845 . 1 1 113 113 ASN CA C 13 53.47 0.590 . 1 . . . . 113 ASN CA . 18365 1 846 . 1 1 113 113 ASN CB C 13 38.36 0.590 . 1 . . . . 113 ASN CB . 18365 1 847 . 1 1 113 113 ASN N N 15 119.17 0.380 . 1 . . . . 113 ASN N . 18365 1 848 . 1 1 114 114 ARG H H 1 7.91 0.014 . 1 . . . . 114 ARG H . 18365 1 849 . 1 1 114 114 ARG HA H 1 4.24 0.014 . 1 . . . . 114 ARG HA . 18365 1 850 . 1 1 114 114 ARG HB2 H 1 1.45 0.014 . 1 . . . . 114 ARG QB . 18365 1 851 . 1 1 114 114 ARG HB3 H 1 1.45 0.014 . 1 . . . . 114 ARG QB . 18365 1 852 . 1 1 114 114 ARG C C 13 173.99 0.590 . 1 . . . . 114 ARG C . 18365 1 853 . 1 1 114 114 ARG CA C 13 56.44 0.590 . 1 . . . . 114 ARG CA . 18365 1 854 . 1 1 114 114 ARG CB C 13 30.17 0.590 . 1 . . . . 114 ARG CB . 18365 1 855 . 1 1 114 114 ARG N N 15 122.14 0.380 . 1 . . . . 114 ARG N . 18365 1 856 . 1 1 115 115 ALA H H 1 8.18 0.014 . 1 . . . . 115 ALA H . 18365 1 857 . 1 1 115 115 ALA HA H 1 4.28 0.014 . 1 . . . . 115 ALA HA . 18365 1 858 . 1 1 115 115 ALA HB1 H 1 0.88 0.014 . 1 . . . . 115 ALA MB . 18365 1 859 . 1 1 115 115 ALA HB2 H 1 0.88 0.014 . 1 . . . . 115 ALA MB . 18365 1 860 . 1 1 115 115 ALA HB3 H 1 0.88 0.014 . 1 . . . . 115 ALA MB . 18365 1 861 . 1 1 115 115 ALA C C 13 175.67 0.590 . 1 . . . . 115 ALA C . 18365 1 862 . 1 1 115 115 ALA CA C 13 52.56 0.590 . 1 . . . . 115 ALA CA . 18365 1 863 . 1 1 115 115 ALA CB C 13 18.72 0.590 . 1 . . . . 115 ALA CB . 18365 1 864 . 1 1 115 115 ALA N N 15 125.59 0.380 . 1 . . . . 115 ALA N . 18365 1 865 . 1 1 116 116 LYS H H 1 8.22 0.014 . 1 . . . . 116 LYS H . 18365 1 866 . 1 1 116 116 LYS HA H 1 4.29 0.014 . 1 . . . . 116 LYS HA . 18365 1 867 . 1 1 116 116 LYS HB2 H 1 1.31 0.014 . 2 . . . . 116 LYS HB2 . 18365 1 868 . 1 1 116 116 LYS HB3 H 1 1.39 0.014 . 2 . . . . 116 LYS HB3 . 18365 1 869 . 1 1 116 116 LYS C C 13 175.07 0.590 . 1 . . . . 116 LYS C . 18365 1 870 . 1 1 116 116 LYS CA C 13 56.56 0.590 . 1 . . . . 116 LYS CA . 18365 1 871 . 1 1 116 116 LYS CB C 13 32.65 0.590 . 1 . . . . 116 LYS CB . 18365 1 872 . 1 1 116 116 LYS N N 15 121.58 0.380 . 1 . . . . 116 LYS N . 18365 1 873 . 1 1 117 117 GLY H H 1 8.38 0.014 . 1 . . . . 117 GLY H . 18365 1 874 . 1 1 117 117 GLY HA2 H 1 4.05 0.014 . 1 . . . . 117 GLY QA . 18365 1 875 . 1 1 117 117 GLY HA3 H 1 4.05 0.014 . 1 . . . . 117 GLY QA . 18365 1 876 . 1 1 117 117 GLY C C 13 172.13 0.590 . 1 . . . . 117 GLY C . 18365 1 877 . 1 1 117 117 GLY CA C 13 45.15 0.590 . 1 . . . . 117 GLY CA . 18365 1 878 . 1 1 117 117 GLY N N 15 110.91 0.380 . 1 . . . . 117 GLY N . 18365 1 879 . 1 1 118 118 THR H H 1 8.07 0.014 . 1 . . . . 118 THR H . 18365 1 880 . 1 1 118 118 THR HA H 1 4.39 0.014 . 1 . . . . 118 THR HA . 18365 1 881 . 1 1 118 118 THR HB H 1 3.78 0.014 . 1 . . . . 118 THR HB . 18365 1 882 . 1 1 118 118 THR C C 13 172.23 0.590 . 1 . . . . 118 THR C . 18365 1 883 . 1 1 118 118 THR CA C 13 61.82 0.590 . 1 . . . . 118 THR CA . 18365 1 884 . 1 1 118 118 THR CB C 13 69.75 0.590 . 1 . . . . 118 THR CB . 18365 1 885 . 1 1 118 118 THR N N 15 114.32 0.380 . 1 . . . . 118 THR N . 18365 1 886 . 1 1 119 119 ASP H H 1 8.57 0.014 . 1 . . . . 119 ASP H . 18365 1 887 . 1 1 119 119 ASP HA H 1 4.8 0.014 . 1 . . . . 119 ASP HA . 18365 1 888 . 1 1 119 119 ASP HB2 H 1 2.39 0.014 . 2 . . . . 119 ASP HB2 . 18365 1 889 . 1 1 119 119 ASP HB3 H 1 2.5 0.014 . 2 . . . . 119 ASP HB3 . 18365 1 890 . 1 1 119 119 ASP C C 13 172.94 0.590 . 1 . . . . 119 ASP C . 18365 1 891 . 1 1 119 119 ASP CA C 13 52.68 0.590 . 1 . . . . 119 ASP CA . 18365 1 892 . 1 1 119 119 ASP CB C 13 37.71 0.590 . 1 . . . . 119 ASP CB . 18365 1 893 . 1 1 119 119 ASP N N 15 122.63 0.380 . 1 . . . . 119 ASP N . 18365 1 894 . 1 1 120 120 VAL H H 1 8.1 0.014 . 1 . . . . 120 VAL H . 18365 1 895 . 1 1 120 120 VAL HA H 1 4.02 0.014 . 1 . . . . 120 VAL HA . 18365 1 896 . 1 1 120 120 VAL HB H 1 1.59 0.014 . 1 . . . . 120 VAL HB . 18365 1 897 . 1 1 120 120 VAL C C 13 174.12 0.590 . 1 . . . . 120 VAL C . 18365 1 898 . 1 1 120 120 VAL CA C 13 62.77 0.590 . 1 . . . . 120 VAL CA . 18365 1 899 . 1 1 120 120 VAL CB C 13 32.19 0.590 . 1 . . . . 120 VAL CB . 18365 1 900 . 1 1 120 120 VAL N N 15 122.04 0.380 . 1 . . . . 120 VAL N . 18365 1 901 . 1 1 121 121 GLN H H 1 8.37 0.014 . 1 . . . . 121 GLN H . 18365 1 902 . 1 1 121 121 GLN C C 13 173.69 0.590 . 1 . . . . 121 GLN C . 18365 1 903 . 1 1 121 121 GLN CA C 13 55.97 0.590 . 1 . . . . 121 GLN CA . 18365 1 904 . 1 1 121 121 GLN CB C 13 28.67 0.590 . 1 . . . . 121 GLN CB . 18365 1 905 . 1 1 121 121 GLN N N 15 124.49 0.380 . 1 . . . . 121 GLN N . 18365 1 906 . 1 1 122 122 ALA HB1 H 1 0.89 0.014 . 1 . . . . 122 ALA MB . 18365 1 907 . 1 1 122 122 ALA HB2 H 1 0.89 0.014 . 1 . . . . 122 ALA MB . 18365 1 908 . 1 1 122 122 ALA HB3 H 1 0.89 0.014 . 1 . . . . 122 ALA MB . 18365 1 909 . 1 1 123 123 TRP H H 1 8 0.014 . 1 . . . . 123 TRP H . 18365 1 910 . 1 1 123 123 TRP HA H 1 4.68 0.014 . 1 . . . . 123 TRP HA . 18365 1 911 . 1 1 123 123 TRP HB2 H 1 3.09 0.014 . 2 . . . . 123 TRP HB2 . 18365 1 912 . 1 1 123 123 TRP HB3 H 1 2.78 0.014 . 2 . . . . 123 TRP HB3 . 18365 1 913 . 1 1 123 123 TRP C C 13 174.09 0.590 . 1 . . . . 123 TRP C . 18365 1 914 . 1 1 123 123 TRP CA C 13 57.2 0.590 . 1 . . . . 123 TRP CA . 18365 1 915 . 1 1 123 123 TRP CB C 13 29.08 0.590 . 1 . . . . 123 TRP CB . 18365 1 916 . 1 1 123 123 TRP N N 15 120.96 0.380 . 1 . . . . 123 TRP N . 18365 1 917 . 1 1 124 124 ILE H H 1 7.88 0.014 . 1 . . . . 124 ILE H . 18365 1 918 . 1 1 124 124 ILE HA H 1 4.04 0.014 . 1 . . . . 124 ILE HA . 18365 1 919 . 1 1 124 124 ILE HB H 1 1.29 0.014 . 1 . . . . 124 ILE HB . 18365 1 920 . 1 1 124 124 ILE C C 13 173.73 0.590 . 1 . . . . 124 ILE C . 18365 1 921 . 1 1 124 124 ILE CA C 13 61.11 0.590 . 1 . . . . 124 ILE CA . 18365 1 922 . 1 1 124 124 ILE CB C 13 38.43 0.590 . 1 . . . . 124 ILE CB . 18365 1 923 . 1 1 124 124 ILE N N 15 124.16 0.380 . 1 . . . . 124 ILE N . 18365 1 924 . 1 1 125 125 ARG H H 1 8.19 0.014 . 1 . . . . 125 ARG H . 18365 1 925 . 1 1 125 125 ARG HA H 1 4.14 0.014 . 1 . . . . 125 ARG HA . 18365 1 926 . 1 1 125 125 ARG HB2 H 1 1.28 0.014 . 2 . . . . 125 ARG HB2 . 18365 1 927 . 1 1 125 125 ARG HB3 H 1 1.36 0.014 . 2 . . . . 125 ARG HB3 . 18365 1 928 . 1 1 125 125 ARG C C 13 174.63 0.590 . 1 . . . . 125 ARG C . 18365 1 929 . 1 1 125 125 ARG CA C 13 56.5 0.590 . 1 . . . . 125 ARG CA . 18365 1 930 . 1 1 125 125 ARG CB C 13 30.07 0.590 . 1 . . . . 125 ARG CB . 18365 1 931 . 1 1 125 125 ARG N N 15 125.59 0.380 . 1 . . . . 125 ARG N . 18365 1 932 . 1 1 126 126 GLY H H 1 8.33 0.014 . 1 . . . . 126 GLY H . 18365 1 933 . 1 1 126 126 GLY HA2 H 1 3.97 0.014 . 1 . . . . 126 GLY QA . 18365 1 934 . 1 1 126 126 GLY HA3 H 1 3.97 0.014 . 1 . . . . 126 GLY QA . 18365 1 935 . 1 1 126 126 GLY C C 13 171.53 0.590 . 1 . . . . 126 GLY C . 18365 1 936 . 1 1 126 126 GLY CA C 13 45 0.590 . 1 . . . . 126 GLY CA . 18365 1 937 . 1 1 126 126 GLY N N 15 111.2 0.380 . 1 . . . . 126 GLY N . 18365 1 938 . 1 1 127 127 ALA H H 1 8.07 0.014 . 1 . . . . 127 ALA H . 18365 1 939 . 1 1 127 127 ALA HA H 1 4.33 0.014 . 1 . . . . 127 ALA HA . 18365 1 940 . 1 1 127 127 ALA HB1 H 1 0.9 0.014 . 1 . . . . 127 ALA MB . 18365 1 941 . 1 1 127 127 ALA HB2 H 1 0.9 0.014 . 1 . . . . 127 ALA MB . 18365 1 942 . 1 1 127 127 ALA HB3 H 1 0.9 0.014 . 1 . . . . 127 ALA MB . 18365 1 943 . 1 1 127 127 ALA C C 13 175.24 0.590 . 1 . . . . 127 ALA C . 18365 1 944 . 1 1 127 127 ALA CA C 13 52.26 0.590 . 1 . . . . 127 ALA CA . 18365 1 945 . 1 1 127 127 ALA CB C 13 19.13 0.590 . 1 . . . . 127 ALA CB . 18365 1 946 . 1 1 127 127 ALA N N 15 124.83 0.380 . 1 . . . . 127 ALA N . 18365 1 947 . 1 1 128 128 ARG H H 1 8.3 0.014 . 1 . . . . 128 ARG H . 18365 1 948 . 1 1 128 128 ARG HA H 1 4.33 0.014 . 1 . . . . 128 ARG HA . 18365 1 949 . 1 1 128 128 ARG C C 13 173.98 0.590 . 1 . . . . 128 ARG C . 18365 1 950 . 1 1 128 128 ARG CA C 13 55.72 0.590 . 1 . . . . 128 ARG CA . 18365 1 951 . 1 1 128 128 ARG CB C 13 30.36 0.590 . 1 . . . . 128 ARG CB . 18365 1 952 . 1 1 128 128 ARG N N 15 121.51 0.380 . 1 . . . . 128 ARG N . 18365 1 953 . 1 1 129 129 LEU H H 1 8.39 0.014 . 1 . . . . 129 LEU H . 18365 1 954 . 1 1 129 129 LEU C C 13 176.97 0.590 . 1 . . . . 129 LEU C . 18365 1 955 . 1 1 129 129 LEU CA C 13 53.98 0.590 . 1 . . . . 129 LEU CA . 18365 1 956 . 1 1 129 129 LEU CB C 13 41.69 0.590 . 1 . . . . 129 LEU CB . 18365 1 957 . 1 1 129 129 LEU N N 15 125.83 0.380 . 1 . . . . 129 LEU N . 18365 1 stop_ save_