data_6876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6876 _Entry.Title ; 1H, 15N and 13C chemical shifts of T. cruzi Chagasin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-25 _Entry.Accession_date 2005-10-25 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 'Rodolpho do' Aido-Machado . . . 6876 2 Didier Salmon . . . 6876 3 Anne Diehl . . . 6876 4 Martina Leidert . . . 6876 5 Oliver Schmetzer . . . 6876 6 Ana Lima . 'P. de A.' . 6876 7 Julio Scharfstein . . . 6876 8 Hartmut Oschkinat . . . 6876 9 Jose Pires . R. . 6876 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UFRJ . 6876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 6876 '15N chemical shifts' 113 6876 '1H chemical shifts' 648 6876 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 1 . . 2007-01-29 2005-10-25 original author . 6876 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FO8 'BMRB Entry Tracking System' 6876 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6876 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16680406 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C assignments of the cysteine protease inhibitor Chagasin from Trypanosoma cruzi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 30 _Citation.Page_last 30 _Citation.Year 2006 _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 'Rodolpho do' Aido-Machado . . . 6876 1 2 Didier Salmon . . . 6876 1 3 Anne Diehl . . . 6876 1 4 Martina Leidert . . . 6876 1 5 Oliver Schmetzer . . . 6876 1 6 Ana Lima . 'P. de A.' . 6876 1 7 Julio Scharfstein . . . 6876 1 8 Hartmut Oschkinat . . . 6876 1 9 Jose Pires . R. . 6876 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Chagasin 6876 1 'cysteine protease inhibitor' 6876 1 'NMR Assignments' 6876 1 'Trypanosoma cruzi' 6876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6876 _Assembly.ID 1 _Assembly.Name Chagasin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12052.4 _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 Chagasin 1 $Chagasin . . yes native no no . . . 6876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chagasin _Entity.Sf_category entity _Entity.Sf_framecode Chagasin _Entity.Entry_ID 6876 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Chagasin _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 ; GSSHKVTKAHNGATLTVAVG ELVEIQLPSNPTTGFAWYFE GGTKESPNESMFTVENKYFP PDSKLLGAGGTEHFHVTVKA AGTHAVNLTYMRPWTGPSHD SERFTVYLKAN ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16421 . Chagasin . . . . . 100.00 111 100.00 100.00 1.78e-74 . . . . 6876 1 2 no PDB 2FO8 . "Solution Structure Of The Trypanosoma Cruzi Cysteine Protease Inhibitor Chagasin" . . . . . 100.00 111 100.00 100.00 1.78e-74 . . . . 6876 1 3 no PDB 2H7W . "Crystal Structure Of Chagasin, The Endogenous Cysteine- Protease Inhibitor From Trypanosoma Cruzi" . . . . . 98.20 131 99.08 99.08 3.10e-72 . . . . 6876 1 4 no PDB 2NNR . "Crystal Structure Of Chagasin, Cysteine Protease Inhibitor From Trypanosoma Cruzi" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 5 no PDB 2NQD . "Crystal Structure Of Cysteine Protease Inhibitor, Chagasin, In Complex With Human Cathepsin L" . . . . . 98.20 109 100.00 100.00 3.50e-73 . . . . 6876 1 6 no PDB 2OUL . "The Structure Of Chagasin In Complex With A Cysteine Protease Clarifies The Binding Mode And Evolution Of A New Inhibitor Famil" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 7 no PDB 3CBJ . "Chagasin-cathepsin B Complex" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 8 no PDB 3CBK . "Chagasin-cathepsin B" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 9 no PDB 3E1Z . "Crystal Structure Of The Parasite Protesase Inhibitor Chagasin In Complex With Papain" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 10 no EMBL CAC39242 . "chagasin [Trypanosoma cruzi]" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 1 11 no SP Q966X9 . "RecName: Full=Chagasin [Trypanosoma cruzi]" . . . . . 98.20 110 100.00 100.00 3.70e-73 . . . . 6876 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 2 GLY . 6876 1 2 3 SER . 6876 1 3 4 SER . 6876 1 4 5 HIS . 6876 1 5 6 LYS . 6876 1 6 7 VAL . 6876 1 7 8 THR . 6876 1 8 9 LYS . 6876 1 9 10 ALA . 6876 1 10 11 HIS . 6876 1 11 12 ASN . 6876 1 12 13 GLY . 6876 1 13 14 ALA . 6876 1 14 15 THR . 6876 1 15 16 LEU . 6876 1 16 17 THR . 6876 1 17 18 VAL . 6876 1 18 19 ALA . 6876 1 19 20 VAL . 6876 1 20 21 GLY . 6876 1 21 22 GLU . 6876 1 22 23 LEU . 6876 1 23 24 VAL . 6876 1 24 25 GLU . 6876 1 25 26 ILE . 6876 1 26 27 GLN . 6876 1 27 28 LEU . 6876 1 28 29 PRO . 6876 1 29 30 SER . 6876 1 30 31 ASN . 6876 1 31 32 PRO . 6876 1 32 33 THR . 6876 1 33 34 THR . 6876 1 34 35 GLY . 6876 1 35 36 PHE . 6876 1 36 37 ALA . 6876 1 37 38 TRP . 6876 1 38 39 TYR . 6876 1 39 40 PHE . 6876 1 40 41 GLU . 6876 1 41 42 GLY . 6876 1 42 43 GLY . 6876 1 43 44 THR . 6876 1 44 45 LYS . 6876 1 45 46 GLU . 6876 1 46 47 SER . 6876 1 47 48 PRO . 6876 1 48 49 ASN . 6876 1 49 50 GLU . 6876 1 50 51 SER . 6876 1 51 52 MET . 6876 1 52 53 PHE . 6876 1 53 54 THR . 6876 1 54 55 VAL . 6876 1 55 56 GLU . 6876 1 56 57 ASN . 6876 1 57 58 LYS . 6876 1 58 59 TYR . 6876 1 59 60 PHE . 6876 1 60 61 PRO . 6876 1 61 62 PRO . 6876 1 62 63 ASP . 6876 1 63 64 SER . 6876 1 64 65 LYS . 6876 1 65 66 LEU . 6876 1 66 67 LEU . 6876 1 67 68 GLY . 6876 1 68 69 ALA . 6876 1 69 70 GLY . 6876 1 70 71 GLY . 6876 1 71 72 THR . 6876 1 72 73 GLU . 6876 1 73 74 HIS . 6876 1 74 75 PHE . 6876 1 75 76 HIS . 6876 1 76 77 VAL . 6876 1 77 78 THR . 6876 1 78 79 VAL . 6876 1 79 80 LYS . 6876 1 80 81 ALA . 6876 1 81 82 ALA . 6876 1 82 83 GLY . 6876 1 83 84 THR . 6876 1 84 85 HIS . 6876 1 85 86 ALA . 6876 1 86 87 VAL . 6876 1 87 88 ASN . 6876 1 88 89 LEU . 6876 1 89 90 THR . 6876 1 90 91 TYR . 6876 1 91 92 MET . 6876 1 92 93 ARG . 6876 1 93 94 PRO . 6876 1 94 95 TRP . 6876 1 95 96 THR . 6876 1 96 97 GLY . 6876 1 97 98 PRO . 6876 1 98 99 SER . 6876 1 99 100 HIS . 6876 1 100 101 ASP . 6876 1 101 102 SER . 6876 1 102 103 GLU . 6876 1 103 104 ARG . 6876 1 104 105 PHE . 6876 1 105 106 THR . 6876 1 106 107 VAL . 6876 1 107 108 TYR . 6876 1 108 109 LEU . 6876 1 109 110 LYS . 6876 1 110 111 ALA . 6876 1 111 112 ASN . 6876 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 . GLY 1 1 6876 1 . SER 2 2 6876 1 . SER 3 3 6876 1 . HIS 4 4 6876 1 . LYS 5 5 6876 1 . VAL 6 6 6876 1 . THR 7 7 6876 1 . LYS 8 8 6876 1 . ALA 9 9 6876 1 . HIS 10 10 6876 1 . ASN 11 11 6876 1 . GLY 12 12 6876 1 . ALA 13 13 6876 1 . THR 14 14 6876 1 . LEU 15 15 6876 1 . THR 16 16 6876 1 . VAL 17 17 6876 1 . ALA 18 18 6876 1 . VAL 19 19 6876 1 . GLY 20 20 6876 1 . GLU 21 21 6876 1 . LEU 22 22 6876 1 . VAL 23 23 6876 1 . GLU 24 24 6876 1 . ILE 25 25 6876 1 . GLN 26 26 6876 1 . LEU 27 27 6876 1 . PRO 28 28 6876 1 . SER 29 29 6876 1 . ASN 30 30 6876 1 . PRO 31 31 6876 1 . THR 32 32 6876 1 . THR 33 33 6876 1 . GLY 34 34 6876 1 . PHE 35 35 6876 1 . ALA 36 36 6876 1 . TRP 37 37 6876 1 . TYR 38 38 6876 1 . PHE 39 39 6876 1 . GLU 40 40 6876 1 . GLY 41 41 6876 1 . GLY 42 42 6876 1 . THR 43 43 6876 1 . LYS 44 44 6876 1 . GLU 45 45 6876 1 . SER 46 46 6876 1 . PRO 47 47 6876 1 . ASN 48 48 6876 1 . GLU 49 49 6876 1 . SER 50 50 6876 1 . MET 51 51 6876 1 . PHE 52 52 6876 1 . THR 53 53 6876 1 . VAL 54 54 6876 1 . GLU 55 55 6876 1 . ASN 56 56 6876 1 . LYS 57 57 6876 1 . TYR 58 58 6876 1 . PHE 59 59 6876 1 . PRO 60 60 6876 1 . PRO 61 61 6876 1 . ASP 62 62 6876 1 . SER 63 63 6876 1 . LYS 64 64 6876 1 . LEU 65 65 6876 1 . LEU 66 66 6876 1 . GLY 67 67 6876 1 . ALA 68 68 6876 1 . GLY 69 69 6876 1 . GLY 70 70 6876 1 . THR 71 71 6876 1 . GLU 72 72 6876 1 . HIS 73 73 6876 1 . PHE 74 74 6876 1 . HIS 75 75 6876 1 . VAL 76 76 6876 1 . THR 77 77 6876 1 . VAL 78 78 6876 1 . LYS 79 79 6876 1 . ALA 80 80 6876 1 . ALA 81 81 6876 1 . GLY 82 82 6876 1 . THR 83 83 6876 1 . HIS 84 84 6876 1 . ALA 85 85 6876 1 . VAL 86 86 6876 1 . ASN 87 87 6876 1 . LEU 88 88 6876 1 . THR 89 89 6876 1 . TYR 90 90 6876 1 . MET 91 91 6876 1 . ARG 92 92 6876 1 . PRO 93 93 6876 1 . TRP 94 94 6876 1 . THR 95 95 6876 1 . GLY 96 96 6876 1 . PRO 97 97 6876 1 . SER 98 98 6876 1 . HIS 99 99 6876 1 . ASP 100 100 6876 1 . SER 101 101 6876 1 . GLU 102 102 6876 1 . ARG 103 103 6876 1 . PHE 104 104 6876 1 . THR 105 105 6876 1 . VAL 106 106 6876 1 . TYR 107 107 6876 1 . LEU 108 108 6876 1 . LYS 109 109 6876 1 . ALA 110 110 6876 1 . ASN 111 111 6876 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 6876 _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 $Chagasin . 5693 organism no . 'Trypanosoma cruzi' 'Trypanosoma cruzi' . Eukaryota Protista Trypanosoma cruzi . . . . . . . . . . . . . . . . . . . . . 6876 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 6876 _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 $Chagasin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6876 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6876 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Chagasin '[U-13C; U-15N]' . . 1 $Chagasin . . 0.3 . . mM . . . . 6876 1 2 'Phosphate Buffer' . . . . . . . 20 . . mM . . . . 6876 1 3 NaCl . . . . . . . 50 . . mM . . . . 6876 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6876 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Chagasin '[U-13C; U-15N]' . . 1 $Chagasin . . 0.7 . . mM . . . . 6876 2 2 'Phosphate Buffer' . . . . . . . 20 . . mM . . . . 6876 2 3 NaCl . . . . . . . 50 . . mM . . . . 6876 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6876 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Chagasin [U-15N] . . 1 $Chagasin . . 0.5 . . mM . . . . 6876 3 2 'Phosphate Buffer' . . . . . . . 20 . . mM . . . . 6876 3 3 NaCl . . . . . . . 50 . . mM . . . . 6876 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6876 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.6' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Chagasin . . . 1 $Chagasin . . 1.2 . . mM . . . . 6876 4 2 'Phosphate Buffer' . . . . . . . 20 . . mM . . . . 6876 4 3 NaCl . . . . . . . 50 . . mM . . . . 6876 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6876 _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 5.6 0.1 pH 6876 1 temperature 298 1 K 6876 1 stop_ save_ ############################ # Computer software used # ############################ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6876 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Michael Nilges et al.' 'Institut Pasteur' . 6876 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6876 _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 'triple-resonance experiments' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 2 '13C_NOESY HMQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 3 '15N NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 4 '2D NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 5 '2D TOCSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 6 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6876 1 stop_ save_ save_triple-resonance_experiments _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode triple-resonance_experiments _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'triple-resonance experiments' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_NOESY_HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY_HMQC _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C NOESY HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY_HSQC _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6876 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_3 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6876 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6876 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6876 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6876 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6876 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 'triple-resonance experiments' 1 $sample_1 isotropic 6876 1 2 '13C_NOESY HMQC' 2 $sample_2 isotropic 6876 1 3 '15N NOESY HSQC' 3 $sample_3 isotropic 6876 1 4 '2D NOESY' 4 $sample_4 isotropic 6876 1 5 '2D TOCSY' 4 $sample_4 isotropic 6876 1 6 1H15N_HSQC 3 $sample_3 isotropic 6876 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.639 0.02 . 1 . . . . 1 SER H . 6876 1 2 . 1 1 2 2 SER HA H 1 4.493 0.02 . 1 . . . . 1 SER HA . 6876 1 3 . 1 1 2 2 SER HB2 H 1 3.735 0.02 . 2 . . . . 1 SER HB1 . 6876 1 4 . 1 1 2 2 SER CA C 13 58.102 0.1 . 1 . . . . 1 SER CA . 6876 1 5 . 1 1 2 2 SER CB C 13 63.956 0.1 . 1 . . . . 1 SER CB . 6876 1 6 . 1 1 2 2 SER N N 15 116.438 0.05 . 1 . . . . 1 SER N . 6876 1 7 . 1 1 3 3 SER H H 1 8.337 0.02 . 1 . . . . 2 SER H . 6876 1 8 . 1 1 3 3 SER HA H 1 4.63 0.02 . 1 . . . . 2 SER HA . 6876 1 9 . 1 1 3 3 SER HB2 H 1 3.727 0.02 . 2 . . . . 2 SER HB1 . 6876 1 10 . 1 1 3 3 SER CA C 13 57.837 0.1 . 1 . . . . 2 SER CA . 6876 1 11 . 1 1 3 3 SER CB C 13 64.314 0.1 . 1 . . . . 2 SER CB . 6876 1 12 . 1 1 3 3 SER N N 15 117.467 0.05 . 1 . . . . 2 SER N . 6876 1 13 . 1 1 4 4 HIS H H 1 8.615 0.02 . 1 . . . . 3 HIS H . 6876 1 14 . 1 1 4 4 HIS HA H 1 4.633 0.02 . 1 . . . . 3 HIS HA . 6876 1 15 . 1 1 4 4 HIS HB2 H 1 2.993 0.02 . 2 . . . . 3 HIS HB1 . 6876 1 16 . 1 1 4 4 HIS HB3 H 1 2.827 0.02 . 2 . . . . 3 HIS HB2 . 6876 1 17 . 1 1 4 4 HIS HD2 H 1 6.911 0.02 . 1 . . . . 3 HIS HD2 . 6876 1 18 . 1 1 4 4 HIS HE1 H 1 8.096 0.02 . 1 . . . . 3 HIS HE1 . 6876 1 19 . 1 1 4 4 HIS CA C 13 55.1 0.1 . 1 . . . . 3 HIS CA . 6876 1 20 . 1 1 4 4 HIS CB C 13 30.967 0.1 . 1 . . . . 3 HIS CB . 6876 1 21 . 1 1 4 4 HIS CD2 C 13 119.015 0.1 . 1 . . . . 3 HIS CD2 . 6876 1 22 . 1 1 4 4 HIS CE1 C 13 138.094 0.1 . 1 . . . . 3 HIS CE1 . 6876 1 23 . 1 1 4 4 HIS N N 15 120.67 0.05 . 1 . . . . 3 HIS N . 6876 1 24 . 1 1 5 5 LYS H H 1 8.551 0.02 . 1 . . . . 4 LYS H . 6876 1 25 . 1 1 5 5 LYS HA H 1 4.878 0.02 . 1 . . . . 4 LYS HA . 6876 1 26 . 1 1 5 5 LYS HB2 H 1 1.652 0.02 . 2 . . . . 4 LYS HB1 . 6876 1 27 . 1 1 5 5 LYS HG2 H 1 1.181 0.02 . 2 . . . . 4 LYS HG1 . 6876 1 28 . 1 1 5 5 LYS HD2 H 1 1.484 0.02 . 2 . . . . 4 LYS HD1 . 6876 1 29 . 1 1 5 5 LYS HE2 H 1 2.804 0.02 . 2 . . . . 4 LYS HE1 . 6876 1 30 . 1 1 5 5 LYS CA C 13 55.651 0.1 . 1 . . . . 4 LYS CA . 6876 1 31 . 1 1 5 5 LYS CB C 13 33.111 0.1 . 1 . . . . 4 LYS CB . 6876 1 32 . 1 1 5 5 LYS CG C 13 24.743 0.1 . 1 . . . . 4 LYS CG . 6876 1 33 . 1 1 5 5 LYS CD C 13 28.873 0.1 . 1 . . . . 4 LYS CD . 6876 1 34 . 1 1 5 5 LYS CE C 13 39.167 0.1 . 1 . . . . 4 LYS CE . 6876 1 35 . 1 1 5 5 LYS N N 15 125.182 0.05 . 1 . . . . 4 LYS N . 6876 1 36 . 1 1 6 6 VAL H H 1 8.942 0.02 . 1 . . . . 5 VAL H . 6876 1 37 . 1 1 6 6 VAL HA H 1 4.378 0.02 . 1 . . . . 5 VAL HA . 6876 1 38 . 1 1 6 6 VAL HB H 1 1.879 0.02 . 1 . . . . 5 VAL HB . 6876 1 39 . 1 1 6 6 VAL HG11 H 1 0.843 0.02 . 2 . . . . 5 VAL HG1 . 6876 1 40 . 1 1 6 6 VAL HG12 H 1 0.843 0.02 . 2 . . . . 5 VAL HG1 . 6876 1 41 . 1 1 6 6 VAL HG13 H 1 0.843 0.02 . 2 . . . . 5 VAL HG1 . 6876 1 42 . 1 1 6 6 VAL HG21 H 1 0.542 0.02 . 2 . . . . 5 VAL HG2 . 6876 1 43 . 1 1 6 6 VAL HG22 H 1 0.542 0.02 . 2 . . . . 5 VAL HG2 . 6876 1 44 . 1 1 6 6 VAL HG23 H 1 0.542 0.02 . 2 . . . . 5 VAL HG2 . 6876 1 45 . 1 1 6 6 VAL CA C 13 60.208 0.1 . 1 . . . . 5 VAL CA . 6876 1 46 . 1 1 6 6 VAL CB C 13 34.485 0.1 . 1 . . . . 5 VAL CB . 6876 1 47 . 1 1 6 6 VAL CG1 C 13 22.511 0.1 . 2 . . . . 5 VAL CG1 . 6876 1 48 . 1 1 6 6 VAL CG2 C 13 22.511 0.1 . 2 . . . . 5 VAL CG2 . 6876 1 49 . 1 1 6 6 VAL N N 15 125.451 0.05 . 1 . . . . 5 VAL N . 6876 1 50 . 1 1 7 7 THR H H 1 10.257 0.02 . 1 . . . . 6 THR H . 6876 1 51 . 1 1 7 7 THR HA H 1 5.164 0.02 . 1 . . . . 6 THR HA . 6876 1 52 . 1 1 7 7 THR HB H 1 4.717 0.02 . 1 . . . . 6 THR HB . 6876 1 53 . 1 1 7 7 THR HG21 H 1 1.1 0.02 . 1 . . . . 6 THR HG2 . 6876 1 54 . 1 1 7 7 THR HG22 H 1 1.1 0.02 . 1 . . . . 6 THR HG2 . 6876 1 55 . 1 1 7 7 THR HG23 H 1 1.1 0.02 . 1 . . . . 6 THR HG2 . 6876 1 56 . 1 1 7 7 THR CA C 13 59.426 0.1 . 1 . . . . 6 THR CA . 6876 1 57 . 1 1 7 7 THR CB C 13 71.761 0.1 . 1 . . . . 6 THR CB . 6876 1 58 . 1 1 7 7 THR CG2 C 13 21.264 0.1 . 1 . . . . 6 THR CG2 . 6876 1 59 . 1 1 7 7 THR N N 15 120.101 0.05 . 1 . . . . 6 THR N . 6876 1 60 . 1 1 8 8 LYS H H 1 8.879 0.02 . 1 . . . . 7 LYS H . 6876 1 61 . 1 1 8 8 LYS HA H 1 3.916 0.02 . 1 . . . . 7 LYS HA . 6876 1 62 . 1 1 8 8 LYS HB2 H 1 1.839 0.02 . 2 . . . . 7 LYS HB1 . 6876 1 63 . 1 1 8 8 LYS HB3 H 1 1.736 0.02 . 2 . . . . 7 LYS HB2 . 6876 1 64 . 1 1 8 8 LYS HG2 H 1 1.49 0.02 . 2 . . . . 7 LYS HG1 . 6876 1 65 . 1 1 8 8 LYS HD2 H 1 1.672 0.02 . 2 . . . . 7 LYS HD1 . 6876 1 66 . 1 1 8 8 LYS CA C 13 59.543 0.1 . 1 . . . . 7 LYS CA . 6876 1 67 . 1 1 8 8 LYS CB C 13 32.308 0.1 . 1 . . . . 7 LYS CB . 6876 1 68 . 1 1 8 8 LYS CG C 13 25.371 0.1 . 1 . . . . 7 LYS CG . 6876 1 69 . 1 1 8 8 LYS CD C 13 29.568 0.1 . 1 . . . . 7 LYS CD . 6876 1 70 . 1 1 8 8 LYS N N 15 119.004 0.05 . 1 . . . . 7 LYS N . 6876 1 71 . 1 1 9 9 ALA H H 1 7.882 0.02 . 1 . . . . 8 ALA H . 6876 1 72 . 1 1 9 9 ALA HA H 1 4.085 0.02 . 1 . . . . 8 ALA HA . 6876 1 73 . 1 1 9 9 ALA HB1 H 1 1.076 0.02 . 1 . . . . 8 ALA HB . 6876 1 74 . 1 1 9 9 ALA HB2 H 1 1.076 0.02 . 1 . . . . 8 ALA HB . 6876 1 75 . 1 1 9 9 ALA HB3 H 1 1.076 0.02 . 1 . . . . 8 ALA HB . 6876 1 76 . 1 1 9 9 ALA CA C 13 53.79 0.1 . 1 . . . . 8 ALA CA . 6876 1 77 . 1 1 9 9 ALA CB C 13 17.956 0.1 . 1 . . . . 8 ALA CB . 6876 1 78 . 1 1 9 9 ALA N N 15 120.459 0.05 . 1 . . . . 8 ALA N . 6876 1 79 . 1 1 10 10 HIS H H 1 8.171 0.02 . 1 . . . . 9 HIS H . 6876 1 80 . 1 1 10 10 HIS HA H 1 4.447 0.02 . 1 . . . . 9 HIS HA . 6876 1 81 . 1 1 10 10 HIS HB2 H 1 3.454 0.02 . 2 . . . . 9 HIS HB1 . 6876 1 82 . 1 1 10 10 HIS HB3 H 1 3.289 0.02 . 2 . . . . 9 HIS HB2 . 6876 1 83 . 1 1 10 10 HIS HD2 H 1 7.001 0.02 . 1 . . . . 9 HIS HD2 . 6876 1 84 . 1 1 10 10 HIS HE1 H 1 7.732 0.02 . 1 . . . . 9 HIS HE1 . 6876 1 85 . 1 1 10 10 HIS CA C 13 57.833 0.1 . 1 . . . . 9 HIS CA . 6876 1 86 . 1 1 10 10 HIS CB C 13 31.236 0.1 . 1 . . . . 9 HIS CB . 6876 1 87 . 1 1 10 10 HIS CD2 C 13 119.755 0.1 . 1 . . . . 9 HIS CD2 . 6876 1 88 . 1 1 10 10 HIS CE1 C 13 138.301 0.1 . 1 . . . . 9 HIS CE1 . 6876 1 89 . 1 1 10 10 HIS N N 15 117.245 0.05 . 1 . . . . 9 HIS N . 6876 1 90 . 1 1 11 11 ASN H H 1 7.259 0.02 . 1 . . . . 10 ASN H . 6876 1 91 . 1 1 11 11 ASN HA H 1 3.989 0.02 . 1 . . . . 10 ASN HA . 6876 1 92 . 1 1 11 11 ASN HB2 H 1 3.111 0.02 . 2 . . . . 10 ASN HB1 . 6876 1 93 . 1 1 11 11 ASN HB3 H 1 2.928 0.02 . 2 . . . . 10 ASN HB2 . 6876 1 94 . 1 1 11 11 ASN HD21 H 1 7.805 0.02 . 2 . . . . 10 ASN HD21 . 6876 1 95 . 1 1 11 11 ASN HD22 H 1 6.982 0.02 . 2 . . . . 10 ASN HD22 . 6876 1 96 . 1 1 11 11 ASN CA C 13 54.847 0.1 . 1 . . . . 10 ASN CA . 6876 1 97 . 1 1 11 11 ASN CB C 13 38.314 0.1 . 1 . . . . 10 ASN CB . 6876 1 98 . 1 1 11 11 ASN N N 15 116.756 0.05 . 1 . . . . 10 ASN N . 6876 1 99 . 1 1 11 11 ASN ND2 N 15 112.311 0.05 . 1 . . . . 10 ASN ND2 . 6876 1 100 . 1 1 12 12 GLY H H 1 9.674 0.02 . 1 . . . . 11 GLY H . 6876 1 101 . 1 1 12 12 GLY HA2 H 1 4.237 0.02 . 2 . . . . 11 GLY HA1 . 6876 1 102 . 1 1 12 12 GLY HA3 H 1 3.366 0.02 . 2 . . . . 11 GLY HA2 . 6876 1 103 . 1 1 12 12 GLY CA C 13 44.865 0.1 . 1 . . . . 11 GLY CA . 6876 1 104 . 1 1 12 12 GLY N N 15 117.479 0.05 . 1 . . . . 11 GLY N . 6876 1 105 . 1 1 13 13 ALA H H 1 8.499 0.02 . 1 . . . . 12 ALA H . 6876 1 106 . 1 1 13 13 ALA HA H 1 4.378 0.02 . 1 . . . . 12 ALA HA . 6876 1 107 . 1 1 13 13 ALA HB1 H 1 1.533 0.02 . 1 . . . . 12 ALA HB . 6876 1 108 . 1 1 13 13 ALA HB2 H 1 1.533 0.02 . 1 . . . . 12 ALA HB . 6876 1 109 . 1 1 13 13 ALA HB3 H 1 1.533 0.02 . 1 . . . . 12 ALA HB . 6876 1 110 . 1 1 13 13 ALA CA C 13 52.321 0.1 . 1 . . . . 12 ALA CA . 6876 1 111 . 1 1 13 13 ALA CB C 13 20.216 0.1 . 1 . . . . 12 ALA CB . 6876 1 112 . 1 1 13 13 ALA N N 15 124.125 0.05 . 1 . . . . 12 ALA N . 6876 1 113 . 1 1 14 14 THR H H 1 8.276 0.02 . 1 . . . . 13 THR H . 6876 1 114 . 1 1 14 14 THR HA H 1 5.338 0.02 . 1 . . . . 13 THR HA . 6876 1 115 . 1 1 14 14 THR HB H 1 3.877 0.02 . 1 . . . . 13 THR HB . 6876 1 116 . 1 1 14 14 THR HG21 H 1 0.955 0.02 . 1 . . . . 13 THR HG2 . 6876 1 117 . 1 1 14 14 THR HG22 H 1 0.955 0.02 . 1 . . . . 13 THR HG2 . 6876 1 118 . 1 1 14 14 THR HG23 H 1 0.955 0.02 . 1 . . . . 13 THR HG2 . 6876 1 119 . 1 1 14 14 THR CA C 13 61.732 0.1 . 1 . . . . 13 THR CA . 6876 1 120 . 1 1 14 14 THR CB C 13 69.721 0.1 . 1 . . . . 13 THR CB . 6876 1 121 . 1 1 14 14 THR CG2 C 13 21.028 0.1 . 1 . . . . 13 THR CG2 . 6876 1 122 . 1 1 14 14 THR N N 15 114.303 0.05 . 1 . . . . 13 THR N . 6876 1 123 . 1 1 15 15 LEU H H 1 9.244 0.02 . 1 . . . . 14 LEU H . 6876 1 124 . 1 1 15 15 LEU HA H 1 4.657 0.02 . 1 . . . . 14 LEU HA . 6876 1 125 . 1 1 15 15 LEU HB2 H 1 1.277 0.02 . 2 . . . . 14 LEU HB1 . 6876 1 126 . 1 1 15 15 LEU HB3 H 1 1.229 0.02 . 2 . . . . 14 LEU HB2 . 6876 1 127 . 1 1 15 15 LEU HG H 1 1.333 0.02 . 1 . . . . 14 LEU HG . 6876 1 128 . 1 1 15 15 LEU HD11 H 1 0.579 0.02 . 2 . . . . 14 LEU HD1 . 6876 1 129 . 1 1 15 15 LEU HD12 H 1 0.579 0.02 . 2 . . . . 14 LEU HD1 . 6876 1 130 . 1 1 15 15 LEU HD13 H 1 0.579 0.02 . 2 . . . . 14 LEU HD1 . 6876 1 131 . 1 1 15 15 LEU CA C 13 53.289 0.1 . 1 . . . . 14 LEU CA . 6876 1 132 . 1 1 15 15 LEU CB C 13 43.952 0.1 . 1 . . . . 14 LEU CB . 6876 1 133 . 1 1 15 15 LEU CG C 13 27.752 0.1 . 1 . . . . 14 LEU CG . 6876 1 134 . 1 1 15 15 LEU CD1 C 13 24.815 0.1 . 2 . . . . 14 LEU CD1 . 6876 1 135 . 1 1 15 15 LEU N N 15 129.927 0.05 . 1 . . . . 14 LEU N . 6876 1 136 . 1 1 16 16 THR H H 1 8.481 0.02 . 1 . . . . 15 THR H . 6876 1 137 . 1 1 16 16 THR HA H 1 4.973 0.02 . 1 . . . . 15 THR HA . 6876 1 138 . 1 1 16 16 THR HB H 1 4.051 0.02 . 1 . . . . 15 THR HB . 6876 1 139 . 1 1 16 16 THR HG21 H 1 1.166 0.02 . 1 . . . . 15 THR HG2 . 6876 1 140 . 1 1 16 16 THR HG22 H 1 1.166 0.02 . 1 . . . . 15 THR HG2 . 6876 1 141 . 1 1 16 16 THR HG23 H 1 1.166 0.02 . 1 . . . . 15 THR HG2 . 6876 1 142 . 1 1 16 16 THR CA C 13 62.021 0.1 . 1 . . . . 15 THR CA . 6876 1 143 . 1 1 16 16 THR CB C 13 68.808 0.1 . 1 . . . . 15 THR CB . 6876 1 144 . 1 1 16 16 THR CG2 C 13 21.455 0.1 . 1 . . . . 15 THR CG2 . 6876 1 145 . 1 1 16 16 THR N N 15 119.864 0.05 . 1 . . . . 15 THR N . 6876 1 146 . 1 1 17 17 VAL H H 1 8.646 0.02 . 1 . . . . 16 VAL H . 6876 1 147 . 1 1 17 17 VAL HA H 1 4.608 0.02 . 1 . . . . 16 VAL HA . 6876 1 148 . 1 1 17 17 VAL HB H 1 2.036 0.02 . 1 . . . . 16 VAL HB . 6876 1 149 . 1 1 17 17 VAL HG11 H 1 0.524 0.02 . 2 . . . . 16 VAL HG1 . 6876 1 150 . 1 1 17 17 VAL HG12 H 1 0.524 0.02 . 2 . . . . 16 VAL HG1 . 6876 1 151 . 1 1 17 17 VAL HG13 H 1 0.524 0.02 . 2 . . . . 16 VAL HG1 . 6876 1 152 . 1 1 17 17 VAL HG21 H 1 0.269 0.02 . 2 . . . . 16 VAL HG2 . 6876 1 153 . 1 1 17 17 VAL HG22 H 1 0.269 0.02 . 2 . . . . 16 VAL HG2 . 6876 1 154 . 1 1 17 17 VAL HG23 H 1 0.269 0.02 . 2 . . . . 16 VAL HG2 . 6876 1 155 . 1 1 17 17 VAL CA C 13 58.233 0.1 . 1 . . . . 16 VAL CA . 6876 1 156 . 1 1 17 17 VAL CB C 13 35.512 0.1 . 1 . . . . 16 VAL CB . 6876 1 157 . 1 1 17 17 VAL CG1 C 13 18.95 0.1 . 2 . . . . 16 VAL CG1 . 6876 1 158 . 1 1 17 17 VAL CG2 C 13 20.555 0.1 . 2 . . . . 16 VAL CG2 . 6876 1 159 . 1 1 17 17 VAL N N 15 120.326 0.05 . 1 . . . . 16 VAL N . 6876 1 160 . 1 1 18 18 ALA H H 1 8.368 0.02 . 1 . . . . 17 ALA H . 6876 1 161 . 1 1 18 18 ALA HA H 1 5.097 0.02 . 1 . . . . 17 ALA HA . 6876 1 162 . 1 1 18 18 ALA HB1 H 1 1.32 0.02 . 1 . . . . 17 ALA HB . 6876 1 163 . 1 1 18 18 ALA HB2 H 1 1.32 0.02 . 1 . . . . 17 ALA HB . 6876 1 164 . 1 1 18 18 ALA HB3 H 1 1.32 0.02 . 1 . . . . 17 ALA HB . 6876 1 165 . 1 1 18 18 ALA CA C 13 49.567 0.1 . 1 . . . . 17 ALA CA . 6876 1 166 . 1 1 18 18 ALA CB C 13 20.457 0.1 . 1 . . . . 17 ALA CB . 6876 1 167 . 1 1 18 18 ALA N N 15 122.968 0.05 . 1 . . . . 17 ALA N . 6876 1 168 . 1 1 19 19 VAL H H 1 8.419 0.02 . 1 . . . . 18 VAL H . 6876 1 169 . 1 1 19 19 VAL HA H 1 3.202 0.02 . 1 . . . . 18 VAL HA . 6876 1 170 . 1 1 19 19 VAL HB H 1 1.852 0.02 . 1 . . . . 18 VAL HB . 6876 1 171 . 1 1 19 19 VAL HG11 H 1 0.752 0.02 . 2 . . . . 18 VAL HG1 . 6876 1 172 . 1 1 19 19 VAL HG12 H 1 0.752 0.02 . 2 . . . . 18 VAL HG1 . 6876 1 173 . 1 1 19 19 VAL HG13 H 1 0.752 0.02 . 2 . . . . 18 VAL HG1 . 6876 1 174 . 1 1 19 19 VAL CA C 13 66.02 0.1 . 1 . . . . 18 VAL CA . 6876 1 175 . 1 1 19 19 VAL CB C 13 31.021 0.1 . 1 . . . . 18 VAL CB . 6876 1 176 . 1 1 19 19 VAL CG1 C 13 21.54 0.1 . 2 . . . . 18 VAL CG1 . 6876 1 177 . 1 1 19 19 VAL N N 15 121.328 0.05 . 1 . . . . 18 VAL N . 6876 1 178 . 1 1 20 20 GLY H H 1 8.619 0.02 . 1 . . . . 19 GLY H . 6876 1 179 . 1 1 20 20 GLY HA2 H 1 4.332 0.02 . 2 . . . . 19 GLY HA1 . 6876 1 180 . 1 1 20 20 GLY HA3 H 1 3.573 0.02 . 2 . . . . 19 GLY HA2 . 6876 1 181 . 1 1 20 20 GLY CA C 13 44.915 0.1 . 1 . . . . 19 GLY CA . 6876 1 182 . 1 1 20 20 GLY N N 15 116.375 0.05 . 1 . . . . 19 GLY N . 6876 1 183 . 1 1 21 21 GLU H H 1 7.854 0.02 . 1 . . . . 20 GLU H . 6876 1 184 . 1 1 21 21 GLU HA H 1 4.265 0.02 . 1 . . . . 20 GLU HA . 6876 1 185 . 1 1 21 21 GLU HB2 H 1 2.316 0.02 . 2 . . . . 20 GLU HB1 . 6876 1 186 . 1 1 21 21 GLU HB3 H 1 2.059 0.02 . 2 . . . . 20 GLU HB2 . 6876 1 187 . 1 1 21 21 GLU HG2 H 1 2.401 0.02 . 2 . . . . 20 GLU HG1 . 6876 1 188 . 1 1 21 21 GLU HG3 H 1 2.253 0.02 . 2 . . . . 20 GLU HG2 . 6876 1 189 . 1 1 21 21 GLU CA C 13 56.678 0.1 . 1 . . . . 20 GLU CA . 6876 1 190 . 1 1 21 21 GLU CB C 13 31.26 0.1 . 1 . . . . 20 GLU CB . 6876 1 191 . 1 1 21 21 GLU CG C 13 38.074 0.1 . 1 . . . . 20 GLU CG . 6876 1 192 . 1 1 21 21 GLU N N 15 120.578 0.05 . 1 . . . . 20 GLU N . 6876 1 193 . 1 1 22 22 LEU H H 1 8.218 0.02 . 1 . . . . 21 LEU H . 6876 1 194 . 1 1 22 22 LEU HA H 1 4.849 0.02 . 1 . . . . 21 LEU HA . 6876 1 195 . 1 1 22 22 LEU HB2 H 1 1.591 0.02 . 2 . . . . 21 LEU HB1 . 6876 1 196 . 1 1 22 22 LEU HB3 H 1 1.513 0.02 . 2 . . . . 21 LEU HB2 . 6876 1 197 . 1 1 22 22 LEU HG H 1 1.319 0.02 . 1 . . . . 21 LEU HG . 6876 1 198 . 1 1 22 22 LEU HD11 H 1 0.665 0.02 . 2 . . . . 21 LEU HD1 . 6876 1 199 . 1 1 22 22 LEU HD12 H 1 0.665 0.02 . 2 . . . . 21 LEU HD1 . 6876 1 200 . 1 1 22 22 LEU HD13 H 1 0.665 0.02 . 2 . . . . 21 LEU HD1 . 6876 1 201 . 1 1 22 22 LEU CA C 13 54.564 0.1 . 1 . . . . 21 LEU CA . 6876 1 202 . 1 1 22 22 LEU CB C 13 43.821 0.1 . 1 . . . . 21 LEU CB . 6876 1 203 . 1 1 22 22 LEU CG C 13 27.64 0.1 . 1 . . . . 21 LEU CG . 6876 1 204 . 1 1 22 22 LEU CD1 C 13 25.198 0.1 . 2 . . . . 21 LEU CD1 . 6876 1 205 . 1 1 22 22 LEU N N 15 123.476 0.05 . 1 . . . . 21 LEU N . 6876 1 206 . 1 1 23 23 VAL H H 1 9.381 0.02 . 1 . . . . 22 VAL H . 6876 1 207 . 1 1 23 23 VAL HA H 1 4.406 0.02 . 1 . . . . 22 VAL HA . 6876 1 208 . 1 1 23 23 VAL HB H 1 1.973 0.02 . 1 . . . . 22 VAL HB . 6876 1 209 . 1 1 23 23 VAL HG11 H 1 0.837 0.02 . 2 . . . . 22 VAL HG1 . 6876 1 210 . 1 1 23 23 VAL HG12 H 1 0.837 0.02 . 2 . . . . 22 VAL HG1 . 6876 1 211 . 1 1 23 23 VAL HG13 H 1 0.837 0.02 . 2 . . . . 22 VAL HG1 . 6876 1 212 . 1 1 23 23 VAL HG21 H 1 0.644 0.02 . 2 . . . . 22 VAL HG2 . 6876 1 213 . 1 1 23 23 VAL HG22 H 1 0.644 0.02 . 2 . . . . 22 VAL HG2 . 6876 1 214 . 1 1 23 23 VAL HG23 H 1 0.644 0.02 . 2 . . . . 22 VAL HG2 . 6876 1 215 . 1 1 23 23 VAL CA C 13 61.453 0.1 . 1 . . . . 22 VAL CA . 6876 1 216 . 1 1 23 23 VAL CB C 13 33.636 0.1 . 1 . . . . 22 VAL CB . 6876 1 217 . 1 1 23 23 VAL CG1 C 13 21.197 0.1 . 2 . . . . 22 VAL CG1 . 6876 1 218 . 1 1 23 23 VAL CG2 C 13 20.905 0.1 . 2 . . . . 22 VAL CG2 . 6876 1 219 . 1 1 23 23 VAL N N 15 127.109 0.05 . 1 . . . . 22 VAL N . 6876 1 220 . 1 1 24 24 GLU H H 1 8.712 0.02 . 1 . . . . 23 GLU H . 6876 1 221 . 1 1 24 24 GLU HA H 1 4.925 0.02 . 1 . . . . 23 GLU HA . 6876 1 222 . 1 1 24 24 GLU HB2 H 1 1.923 0.02 . 2 . . . . 23 GLU HB1 . 6876 1 223 . 1 1 24 24 GLU HB3 H 1 1.795 0.02 . 2 . . . . 23 GLU HB2 . 6876 1 224 . 1 1 24 24 GLU HG2 H 1 1.822 0.02 . 2 . . . . 23 GLU HG1 . 6876 1 225 . 1 1 24 24 GLU HG3 H 1 1.535 0.02 . 2 . . . . 23 GLU HG2 . 6876 1 226 . 1 1 24 24 GLU CA C 13 54.651 0.1 . 1 . . . . 23 GLU CA . 6876 1 227 . 1 1 24 24 GLU CB C 13 31.512 0.1 . 1 . . . . 23 GLU CB . 6876 1 228 . 1 1 24 24 GLU CG C 13 36.683 0.1 . 1 . . . . 23 GLU CG . 6876 1 229 . 1 1 24 24 GLU N N 15 128.359 0.05 . 1 . . . . 23 GLU N . 6876 1 230 . 1 1 25 25 ILE H H 1 9.057 0.02 . 1 . . . . 24 ILE H . 6876 1 231 . 1 1 25 25 ILE HA H 1 4.466 0.02 . 1 . . . . 24 ILE HA . 6876 1 232 . 1 1 25 25 ILE HB H 1 1.773 0.02 . 1 . . . . 24 ILE HB . 6876 1 233 . 1 1 25 25 ILE HG12 H 1 1.573 0.02 . 2 . . . . 24 ILE HG11 . 6876 1 234 . 1 1 25 25 ILE HG13 H 1 0.606 0.02 . 2 . . . . 24 ILE HG12 . 6876 1 235 . 1 1 25 25 ILE HG21 H 1 0.132 0.02 . 1 . . . . 24 ILE HG2 . 6876 1 236 . 1 1 25 25 ILE HG22 H 1 0.132 0.02 . 1 . . . . 24 ILE HG2 . 6876 1 237 . 1 1 25 25 ILE HG23 H 1 0.132 0.02 . 1 . . . . 24 ILE HG2 . 6876 1 238 . 1 1 25 25 ILE HD11 H 1 0.606 0.02 . 1 . . . . 24 ILE HD# . 6876 1 239 . 1 1 25 25 ILE HD12 H 1 0.606 0.02 . 1 . . . . 24 ILE HD# . 6876 1 240 . 1 1 25 25 ILE HD13 H 1 0.606 0.02 . 1 . . . . 24 ILE HD# . 6876 1 241 . 1 1 25 25 ILE CA C 13 60.325 0.1 . 1 . . . . 24 ILE CA . 6876 1 242 . 1 1 25 25 ILE CB C 13 39.847 0.1 . 1 . . . . 24 ILE CB . 6876 1 243 . 1 1 25 25 ILE CG1 C 13 27.03 0.1 . 1 . . . . 24 ILE CG1 . 6876 1 244 . 1 1 25 25 ILE CG2 C 13 16.612 0.1 . 1 . . . . 24 ILE CG2 . 6876 1 245 . 1 1 25 25 ILE CD1 C 13 14.626 0.1 . 1 . . . . 24 ILE CD1 . 6876 1 246 . 1 1 25 25 ILE N N 15 126.74 0.05 . 1 . . . . 24 ILE N . 6876 1 247 . 1 1 26 26 GLN H H 1 8.418 0.02 . 1 . . . . 25 GLN H . 6876 1 248 . 1 1 26 26 GLN HA H 1 4.908 0.02 . 1 . . . . 25 GLN HA . 6876 1 249 . 1 1 26 26 GLN HB2 H 1 1.572 0.02 . 2 . . . . 25 GLN HB1 . 6876 1 250 . 1 1 26 26 GLN HB3 H 1 1.342 0.02 . 2 . . . . 25 GLN HB2 . 6876 1 251 . 1 1 26 26 GLN HG2 H 1 1.83 0.02 . 2 . . . . 25 GLN HG1 . 6876 1 252 . 1 1 26 26 GLN HG3 H 1 1.173 0.02 . 2 . . . . 25 GLN HG2 . 6876 1 253 . 1 1 26 26 GLN HE21 H 1 7.239 0.02 . 2 . . . . 25 GLN HE21 . 6876 1 254 . 1 1 26 26 GLN HE22 H 1 6.643 0.02 . 2 . . . . 25 GLN HE22 . 6876 1 255 . 1 1 26 26 GLN CA C 13 53.734 0.1 . 1 . . . . 25 GLN CA . 6876 1 256 . 1 1 26 26 GLN CB C 13 30.592 0.1 . 1 . . . . 25 GLN CB . 6876 1 257 . 1 1 26 26 GLN CG C 13 32.37 0.1 . 1 . . . . 25 GLN CG . 6876 1 258 . 1 1 26 26 GLN N N 15 126.64 0.05 . 1 . . . . 25 GLN N . 6876 1 259 . 1 1 26 26 GLN NE2 N 15 110.9 0.05 . 1 . . . . 25 GLN NE2 . 6876 1 260 . 1 1 27 27 LEU H H 1 8.523 0.02 . 1 . . . . 26 LEU H . 6876 1 261 . 1 1 27 27 LEU HA H 1 4.734 0.02 . 1 . . . . 26 LEU HA . 6876 1 262 . 1 1 27 27 LEU HB2 H 1 0.522 0.02 . 2 . . . . 26 LEU HB1 . 6876 1 263 . 1 1 27 27 LEU HB3 H 1 0.421 0.02 . 2 . . . . 26 LEU HB2 . 6876 1 264 . 1 1 27 27 LEU HG H 1 0.366 0.02 . 1 . . . . 26 LEU HG . 6876 1 265 . 1 1 27 27 LEU HD11 H 1 -0.65 0.02 . 2 . . . . 26 LEU HD1 . 6876 1 266 . 1 1 27 27 LEU HD12 H 1 -0.65 0.02 . 2 . . . . 26 LEU HD1 . 6876 1 267 . 1 1 27 27 LEU HD13 H 1 -0.65 0.02 . 2 . . . . 26 LEU HD1 . 6876 1 268 . 1 1 27 27 LEU HD21 H 1 -1.275 0.02 . 2 . . . . 26 LEU HD2 . 6876 1 269 . 1 1 27 27 LEU HD22 H 1 -1.275 0.02 . 2 . . . . 26 LEU HD2 . 6876 1 270 . 1 1 27 27 LEU HD23 H 1 -1.275 0.02 . 2 . . . . 26 LEU HD2 . 6876 1 271 . 1 1 27 27 LEU CA C 13 50.806 0.1 . 1 . . . . 26 LEU CA . 6876 1 272 . 1 1 27 27 LEU CB C 13 44.318 0.1 . 1 . . . . 26 LEU CB . 6876 1 273 . 1 1 27 27 LEU CG C 13 25.152 0.1 . 1 . . . . 26 LEU CG . 6876 1 274 . 1 1 27 27 LEU CD1 C 13 21.022 0.1 . 2 . . . . 26 LEU CD1 . 6876 1 275 . 1 1 27 27 LEU CD2 C 13 23.345 0.1 . 2 . . . . 26 LEU CD2 . 6876 1 276 . 1 1 27 27 LEU N N 15 123.386 0.05 . 1 . . . . 26 LEU N . 6876 1 277 . 1 1 28 28 PRO HA H 1 4.848 0.02 . 1 . . . . 27 PRO HA . 6876 1 278 . 1 1 28 28 PRO HB2 H 1 2.407 0.02 . 2 . . . . 27 PRO HB1 . 6876 1 279 . 1 1 28 28 PRO HB3 H 1 1.945 0.02 . 2 . . . . 27 PRO HB2 . 6876 1 280 . 1 1 28 28 PRO HG2 H 1 2.18 0.02 . 2 . . . . 27 PRO HG1 . 6876 1 281 . 1 1 28 28 PRO HG3 H 1 2.013 0.02 . 2 . . . . 27 PRO HG2 . 6876 1 282 . 1 1 28 28 PRO HD2 H 1 4.036 0.02 . 2 . . . . 27 PRO HD1 . 6876 1 283 . 1 1 28 28 PRO HD3 H 1 3.38 0.02 . 2 . . . . 27 PRO HD2 . 6876 1 284 . 1 1 28 28 PRO CA C 13 62.909 0.1 . 1 . . . . 27 PRO CA . 6876 1 285 . 1 1 28 28 PRO CB C 13 31.847 0.1 . 1 . . . . 27 PRO CB . 6876 1 286 . 1 1 28 28 PRO CG C 13 27.399 0.1 . 1 . . . . 27 PRO CG . 6876 1 287 . 1 1 28 28 PRO CD C 13 50.522 0.1 . 1 . . . . 27 PRO CD . 6876 1 288 . 1 1 29 29 SER H H 1 8.334 0.02 . 1 . . . . 28 SER H . 6876 1 289 . 1 1 29 29 SER HA H 1 4.776 0.02 . 1 . . . . 28 SER HA . 6876 1 290 . 1 1 29 29 SER HB2 H 1 4.12 0.02 . 2 . . . . 28 SER HB1 . 6876 1 291 . 1 1 29 29 SER HB3 H 1 3.879 0.02 . 2 . . . . 28 SER HB2 . 6876 1 292 . 1 1 29 29 SER CA C 13 58.035 0.1 . 1 . . . . 28 SER CA . 6876 1 293 . 1 1 29 29 SER CB C 13 66.614 0.1 . 1 . . . . 28 SER CB . 6876 1 294 . 1 1 29 29 SER N N 15 118.771 0.05 . 1 . . . . 28 SER N . 6876 1 295 . 1 1 30 30 ASN H H 1 8.212 0.02 . 1 . . . . 29 ASN H . 6876 1 296 . 1 1 30 30 ASN HA H 1 5.583 0.02 . 1 . . . . 29 ASN HA . 6876 1 297 . 1 1 30 30 ASN HB2 H 1 3.217 0.02 . 2 . . . . 29 ASN HB1 . 6876 1 298 . 1 1 30 30 ASN HB3 H 1 2.742 0.02 . 2 . . . . 29 ASN HB2 . 6876 1 299 . 1 1 30 30 ASN HD21 H 1 7.746 0.02 . 2 . . . . 29 ASN HD21 . 6876 1 300 . 1 1 30 30 ASN HD22 H 1 6.976 0.02 . 2 . . . . 29 ASN HD22 . 6876 1 301 . 1 1 30 30 ASN CA C 13 49.462 0.1 . 1 . . . . 29 ASN CA . 6876 1 302 . 1 1 30 30 ASN CB C 13 39.079 0.1 . 1 . . . . 29 ASN CB . 6876 1 303 . 1 1 30 30 ASN N N 15 121.051 0.05 . 1 . . . . 29 ASN N . 6876 1 304 . 1 1 30 30 ASN ND2 N 15 111.961 0.05 . 1 . . . . 29 ASN ND2 . 6876 1 305 . 1 1 31 31 PRO HA H 1 4.727 0.02 . 1 . . . . 30 PRO HA . 6876 1 306 . 1 1 31 31 PRO HB2 H 1 2.111 0.02 . 2 . . . . 30 PRO HB1 . 6876 1 307 . 1 1 31 31 PRO HB3 H 1 1.796 0.02 . 2 . . . . 30 PRO HB2 . 6876 1 308 . 1 1 31 31 PRO HG2 H 1 1.424 0.02 . 2 . . . . 30 PRO HG1 . 6876 1 309 . 1 1 31 31 PRO HG3 H 1 1.256 0.02 . 2 . . . . 30 PRO HG2 . 6876 1 310 . 1 1 31 31 PRO HD2 H 1 3.914 0.02 . 2 . . . . 30 PRO HD1 . 6876 1 311 . 1 1 31 31 PRO HD3 H 1 3.602 0.02 . 2 . . . . 30 PRO HD2 . 6876 1 312 . 1 1 31 31 PRO CA C 13 65.076 0.1 . 1 . . . . 30 PRO CA . 6876 1 313 . 1 1 31 31 PRO CB C 13 31.861 0.1 . 1 . . . . 30 PRO CB . 6876 1 314 . 1 1 31 31 PRO CG C 13 26.166 0.1 . 1 . . . . 30 PRO CG . 6876 1 315 . 1 1 31 31 PRO CD C 13 51.322 0.1 . 1 . . . . 30 PRO CD . 6876 1 316 . 1 1 32 32 THR H H 1 7.898 0.02 . 1 . . . . 31 THR H . 6876 1 317 . 1 1 32 32 THR HA H 1 4.197 0.02 . 1 . . . . 31 THR HA . 6876 1 318 . 1 1 32 32 THR HB H 1 4.247 0.02 . 1 . . . . 31 THR HB . 6876 1 319 . 1 1 32 32 THR HG21 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 6876 1 320 . 1 1 32 32 THR HG22 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 6876 1 321 . 1 1 32 32 THR HG23 H 1 1.316 0.02 . 1 . . . . 31 THR HG2 . 6876 1 322 . 1 1 32 32 THR CA C 13 65.033 0.1 . 1 . . . . 31 THR CA . 6876 1 323 . 1 1 32 32 THR CB C 13 68.451 0.1 . 1 . . . . 31 THR CB . 6876 1 324 . 1 1 32 32 THR CG2 C 13 21.52 0.1 . 1 . . . . 31 THR CG2 . 6876 1 325 . 1 1 32 32 THR N N 15 113.209 0.05 . 1 . . . . 31 THR N . 6876 1 326 . 1 1 33 33 THR H H 1 7.813 0.02 . 1 . . . . 32 THR H . 6876 1 327 . 1 1 33 33 THR HA H 1 4.437 0.02 . 1 . . . . 32 THR HA . 6876 1 328 . 1 1 33 33 THR HB H 1 4.575 0.02 . 1 . . . . 32 THR HB . 6876 1 329 . 1 1 33 33 THR HG21 H 1 1.31 0.02 . 1 . . . . 32 THR HG2 . 6876 1 330 . 1 1 33 33 THR HG22 H 1 1.31 0.02 . 1 . . . . 32 THR HG2 . 6876 1 331 . 1 1 33 33 THR HG23 H 1 1.31 0.02 . 1 . . . . 32 THR HG2 . 6876 1 332 . 1 1 33 33 THR CA C 13 62.394 0.1 . 1 . . . . 32 THR CA . 6876 1 333 . 1 1 33 33 THR CB C 13 71.083 0.1 . 1 . . . . 32 THR CB . 6876 1 334 . 1 1 33 33 THR CG2 C 13 21.52 0.1 . 1 . . . . 32 THR CG2 . 6876 1 335 . 1 1 33 33 THR N N 15 109.579 0.05 . 1 . . . . 32 THR N . 6876 1 336 . 1 1 34 34 GLY H H 1 7.819 0.02 . 1 . . . . 33 GLY H . 6876 1 337 . 1 1 34 34 GLY HA2 H 1 4.299 0.02 . 2 . . . . 33 GLY HA1 . 6876 1 338 . 1 1 34 34 GLY HA3 H 1 3.69 0.02 . 2 . . . . 33 GLY HA2 . 6876 1 339 . 1 1 34 34 GLY CA C 13 45.348 0.1 . 1 . . . . 33 GLY CA . 6876 1 340 . 1 1 34 34 GLY N N 15 109.613 0.05 . 1 . . . . 33 GLY N . 6876 1 341 . 1 1 35 35 PHE H H 1 7.554 0.02 . 1 . . . . 34 PHE H . 6876 1 342 . 1 1 35 35 PHE HA H 1 3.845 0.02 . 1 . . . . 34 PHE HA . 6876 1 343 . 1 1 35 35 PHE HB2 H 1 2.346 0.02 . 2 . . . . 34 PHE HB1 . 6876 1 344 . 1 1 35 35 PHE HB3 H 1 0.746 0.02 . 2 . . . . 34 PHE HB2 . 6876 1 345 . 1 1 35 35 PHE HD1 H 1 6.505 0.02 . 3 . . . . 34 PHE HD1 . 6876 1 346 . 1 1 35 35 PHE HE1 H 1 7.119 0.02 . 3 . . . . 34 PHE HE1 . 6876 1 347 . 1 1 35 35 PHE CA C 13 56.857 0.1 . 1 . . . . 34 PHE CA . 6876 1 348 . 1 1 35 35 PHE CB C 13 39.77 0.1 . 1 . . . . 34 PHE CB . 6876 1 349 . 1 1 35 35 PHE CD1 C 13 131.575 0.1 . 3 . . . . 34 PHE CD1 . 6876 1 350 . 1 1 35 35 PHE CE1 C 13 130.321 0.1 . 3 . . . . 34 PHE CE1 . 6876 1 351 . 1 1 35 35 PHE N N 15 120.788 0.05 . 1 . . . . 34 PHE N . 6876 1 352 . 1 1 36 36 ALA H H 1 7.854 0.02 . 1 . . . . 35 ALA H . 6876 1 353 . 1 1 36 36 ALA HA H 1 4.119 0.02 . 1 . . . . 35 ALA HA . 6876 1 354 . 1 1 36 36 ALA HB1 H 1 1.261 0.02 . 1 . . . . 35 ALA HB . 6876 1 355 . 1 1 36 36 ALA HB2 H 1 1.261 0.02 . 1 . . . . 35 ALA HB . 6876 1 356 . 1 1 36 36 ALA HB3 H 1 1.261 0.02 . 1 . . . . 35 ALA HB . 6876 1 357 . 1 1 36 36 ALA CA C 13 51.072 0.1 . 1 . . . . 35 ALA CA . 6876 1 358 . 1 1 36 36 ALA CB C 13 21.479 0.1 . 1 . . . . 35 ALA CB . 6876 1 359 . 1 1 36 36 ALA N N 15 116.992 0.05 . 1 . . . . 35 ALA N . 6876 1 360 . 1 1 37 37 TRP H H 1 8.918 0.02 . 1 . . . . 36 TRP H . 6876 1 361 . 1 1 37 37 TRP HA H 1 5.002 0.02 . 1 . . . . 36 TRP HA . 6876 1 362 . 1 1 37 37 TRP HB2 H 1 3.099 0.02 . 2 . . . . 36 TRP HB1 . 6876 1 363 . 1 1 37 37 TRP HB3 H 1 2.642 0.02 . 2 . . . . 36 TRP HB2 . 6876 1 364 . 1 1 37 37 TRP HD1 H 1 7.41 0.02 . 1 . . . . 36 TRP HD1 . 6876 1 365 . 1 1 37 37 TRP HE1 H 1 10.27 0.02 . 1 . . . . 36 TRP HE1 . 6876 1 366 . 1 1 37 37 TRP HE3 H 1 7.074 0.02 . 1 . . . . 36 TRP HE3 . 6876 1 367 . 1 1 37 37 TRP HZ2 H 1 6.941 0.02 . 1 . . . . 36 TRP HZ2 . 6876 1 368 . 1 1 37 37 TRP HZ3 H 1 6.759 0.02 . 1 . . . . 36 TRP HZ3 . 6876 1 369 . 1 1 37 37 TRP HH2 H 1 6.76 0.02 . 1 . . . . 36 TRP HH2 . 6876 1 370 . 1 1 37 37 TRP CA C 13 57.269 0.1 . 1 . . . . 36 TRP CA . 6876 1 371 . 1 1 37 37 TRP CB C 13 30.597 0.1 . 1 . . . . 36 TRP CB . 6876 1 372 . 1 1 37 37 TRP CD1 C 13 126.669 0.1 . 1 . . . . 36 TRP CD1 . 6876 1 373 . 1 1 37 37 TRP CE3 C 13 120.146 0.1 . 1 . . . . 36 TRP CE3 . 6876 1 374 . 1 1 37 37 TRP CZ2 C 13 114.048 0.1 . 1 . . . . 36 TRP CZ2 . 6876 1 375 . 1 1 37 37 TRP CZ3 C 13 123.094 0.1 . 1 . . . . 36 TRP CZ3 . 6876 1 376 . 1 1 37 37 TRP CH2 C 13 123.094 0.1 . 1 . . . . 36 TRP CH2 . 6876 1 377 . 1 1 37 37 TRP N N 15 118.969 0.05 . 1 . . . . 36 TRP N . 6876 1 378 . 1 1 37 37 TRP NE1 N 15 131.731 0.05 . 1 . . . . 36 TRP NE1 . 6876 1 379 . 1 1 38 38 TYR H H 1 9.099 0.02 . 1 . . . . 37 TYR H . 6876 1 380 . 1 1 38 38 TYR HA H 1 4.776 0.02 . 1 . . . . 37 TYR HA . 6876 1 381 . 1 1 38 38 TYR HB2 H 1 3.432 0.02 . 2 . . . . 37 TYR HB1 . 6876 1 382 . 1 1 38 38 TYR HB3 H 1 2.531 0.02 . 2 . . . . 37 TYR HB2 . 6876 1 383 . 1 1 38 38 TYR HD1 H 1 6.84 0.02 . 3 . . . . 37 TYR HD1 . 6876 1 384 . 1 1 38 38 TYR HE1 H 1 6.717 0.02 . 3 . . . . 37 TYR HE1 . 6876 1 385 . 1 1 38 38 TYR CA C 13 57.625 0.1 . 1 . . . . 37 TYR CA . 6876 1 386 . 1 1 38 38 TYR CB C 13 44.09 0.1 . 1 . . . . 37 TYR CB . 6876 1 387 . 1 1 38 38 TYR CD1 C 13 132.715 0.1 . 3 . . . . 37 TYR CD1 . 6876 1 388 . 1 1 38 38 TYR CE1 C 13 117.994 0.1 . 3 . . . . 37 TYR CE1 . 6876 1 389 . 1 1 38 38 TYR N N 15 118.748 0.05 . 1 . . . . 37 TYR N . 6876 1 390 . 1 1 39 39 PHE H H 1 8.961 0.02 . 1 . . . . 38 PHE H . 6876 1 391 . 1 1 39 39 PHE HA H 1 4.883 0.02 . 1 . . . . 38 PHE HA . 6876 1 392 . 1 1 39 39 PHE HB2 H 1 3.47 0.02 . 2 . . . . 38 PHE HB1 . 6876 1 393 . 1 1 39 39 PHE HB3 H 1 3.145 0.02 . 2 . . . . 38 PHE HB2 . 6876 1 394 . 1 1 39 39 PHE HD1 H 1 7.499 0.02 . 3 . . . . 38 PHE HD1 . 6876 1 395 . 1 1 39 39 PHE HE1 H 1 6.884 0.02 . 3 . . . . 38 PHE HE1 . 6876 1 396 . 1 1 39 39 PHE HZ H 1 7.277 0.02 . 1 . . . . 38 PHE HZ . 6876 1 397 . 1 1 39 39 PHE CA C 13 58.995 0.1 . 1 . . . . 38 PHE CA . 6876 1 398 . 1 1 39 39 PHE CB C 13 40.255 0.1 . 1 . . . . 38 PHE CB . 6876 1 399 . 1 1 39 39 PHE CD1 C 13 133.616 0.1 . 3 . . . . 38 PHE CD1 . 6876 1 400 . 1 1 39 39 PHE CE1 C 13 127.53 0.1 . 3 . . . . 38 PHE CE1 . 6876 1 401 . 1 1 39 39 PHE CZ C 13 130.257 0.1 . 1 . . . . 38 PHE CZ . 6876 1 402 . 1 1 39 39 PHE N N 15 119.83 0.05 . 1 . . . . 38 PHE N . 6876 1 403 . 1 1 40 40 GLU H H 1 9.172 0.02 . 1 . . . . 39 GLU H . 6876 1 404 . 1 1 40 40 GLU HA H 1 4.034 0.02 . 1 . . . . 39 GLU HA . 6876 1 405 . 1 1 40 40 GLU HB2 H 1 2.088 0.02 . 2 . . . . 39 GLU HB1 . 6876 1 406 . 1 1 40 40 GLU HG2 H 1 2.334 0.02 . 2 . . . . 39 GLU HG1 . 6876 1 407 . 1 1 40 40 GLU CA C 13 58.788 0.1 . 1 . . . . 39 GLU CA . 6876 1 408 . 1 1 40 40 GLU CB C 13 29.597 0.1 . 1 . . . . 39 GLU CB . 6876 1 409 . 1 1 40 40 GLU CG C 13 35.852 0.1 . 1 . . . . 39 GLU CG . 6876 1 410 . 1 1 40 40 GLU N N 15 121.361 0.05 . 1 . . . . 39 GLU N . 6876 1 411 . 1 1 41 41 GLY H H 1 8.924 0.02 . 1 . . . . 40 GLY H . 6876 1 412 . 1 1 41 41 GLY HA2 H 1 4.264 0.02 . 2 . . . . 40 GLY HA1 . 6876 1 413 . 1 1 41 41 GLY HA3 H 1 3.782 0.02 . 2 . . . . 40 GLY HA2 . 6876 1 414 . 1 1 41 41 GLY CA C 13 44.855 0.1 . 1 . . . . 40 GLY CA . 6876 1 415 . 1 1 41 41 GLY N N 15 111.788 0.05 . 1 . . . . 40 GLY N . 6876 1 416 . 1 1 42 42 GLY H H 1 8.642 0.02 . 1 . . . . 41 GLY H . 6876 1 417 . 1 1 42 42 GLY HA2 H 1 3.904 0.02 . 2 . . . . 41 GLY HA1 . 6876 1 418 . 1 1 42 42 GLY HA3 H 1 3.161 0.02 . 2 . . . . 41 GLY HA2 . 6876 1 419 . 1 1 42 42 GLY CA C 13 46.36 0.1 . 1 . . . . 41 GLY CA . 6876 1 420 . 1 1 42 42 GLY N N 15 107.31 0.05 . 1 . . . . 41 GLY N . 6876 1 421 . 1 1 43 43 THR H H 1 7.293 0.02 . 1 . . . . 42 THR H . 6876 1 422 . 1 1 43 43 THR HA H 1 5.102 0.02 . 1 . . . . 42 THR HA . 6876 1 423 . 1 1 43 43 THR HB H 1 4.407 0.02 . 1 . . . . 42 THR HB . 6876 1 424 . 1 1 43 43 THR HG21 H 1 1.226 0.02 . 1 . . . . 42 THR HG2 . 6876 1 425 . 1 1 43 43 THR HG22 H 1 1.226 0.02 . 1 . . . . 42 THR HG2 . 6876 1 426 . 1 1 43 43 THR HG23 H 1 1.226 0.02 . 1 . . . . 42 THR HG2 . 6876 1 427 . 1 1 43 43 THR CA C 13 58.944 0.1 . 1 . . . . 42 THR CA . 6876 1 428 . 1 1 43 43 THR CB C 13 70.915 0.1 . 1 . . . . 42 THR CB . 6876 1 429 . 1 1 43 43 THR CG2 C 13 20.913 0.1 . 1 . . . . 42 THR CG2 . 6876 1 430 . 1 1 43 43 THR N N 15 109.837 0.05 . 1 . . . . 42 THR N . 6876 1 431 . 1 1 44 44 LYS H H 1 9.146 0.02 . 1 . . . . 43 LYS H . 6876 1 432 . 1 1 44 44 LYS HA H 1 4.887 0.02 . 1 . . . . 43 LYS HA . 6876 1 433 . 1 1 44 44 LYS HB2 H 1 2.164 0.02 . 2 . . . . 43 LYS HB1 . 6876 1 434 . 1 1 44 44 LYS HB3 H 1 1.87 0.02 . 2 . . . . 43 LYS HB2 . 6876 1 435 . 1 1 44 44 LYS HG2 H 1 1.166 0.02 . 2 . . . . 43 LYS HG1 . 6876 1 436 . 1 1 44 44 LYS HD2 H 1 1.628 0.02 . 2 . . . . 43 LYS HD1 . 6876 1 437 . 1 1 44 44 LYS CA C 13 55.266 0.1 . 1 . . . . 43 LYS CA . 6876 1 438 . 1 1 44 44 LYS CB C 13 33.689 0.1 . 1 . . . . 43 LYS CB . 6876 1 439 . 1 1 44 44 LYS CG C 13 25.645 0.1 . 1 . . . . 43 LYS CG . 6876 1 440 . 1 1 44 44 LYS CD C 13 28.648 0.1 . 1 . . . . 43 LYS CD . 6876 1 441 . 1 1 44 44 LYS N N 15 121.964 0.05 . 1 . . . . 43 LYS N . 6876 1 442 . 1 1 45 45 GLU H H 1 7.96 0.02 . 1 . . . . 44 GLU H . 6876 1 443 . 1 1 45 45 GLU HA H 1 4.311 0.02 . 1 . . . . 44 GLU HA . 6876 1 444 . 1 1 45 45 GLU HB2 H 1 2.096 0.02 . 2 . . . . 44 GLU HB1 . 6876 1 445 . 1 1 45 45 GLU HB3 H 1 1.831 0.02 . 2 . . . . 44 GLU HB2 . 6876 1 446 . 1 1 45 45 GLU HG2 H 1 2.335 0.02 . 2 . . . . 44 GLU HG1 . 6876 1 447 . 1 1 45 45 GLU CA C 13 55.404 0.1 . 1 . . . . 44 GLU CA . 6876 1 448 . 1 1 45 45 GLU CB C 13 30.81 0.1 . 1 . . . . 44 GLU CB . 6876 1 449 . 1 1 45 45 GLU CG C 13 36.25 0.1 . 1 . . . . 44 GLU CG . 6876 1 450 . 1 1 45 45 GLU N N 15 117.703 0.05 . 1 . . . . 44 GLU N . 6876 1 451 . 1 1 46 46 SER H H 1 8.275 0.02 . 1 . . . . 45 SER H . 6876 1 452 . 1 1 46 46 SER HA H 1 3.57 0.02 . 1 . . . . 45 SER HA . 6876 1 453 . 1 1 46 46 SER HB2 H 1 4.006 0.02 . 2 . . . . 45 SER HB1 . 6876 1 454 . 1 1 46 46 SER CA C 13 54.679 0.1 . 1 . . . . 45 SER CA . 6876 1 455 . 1 1 46 46 SER CB C 13 65.14 0.1 . 1 . . . . 45 SER CB . 6876 1 456 . 1 1 46 46 SER N N 15 111.602 0.05 . 1 . . . . 45 SER N . 6876 1 457 . 1 1 47 47 PRO HA H 1 4.319 0.02 . 1 . . . . 46 PRO HA . 6876 1 458 . 1 1 47 47 PRO HB2 H 1 2.261 0.02 . 2 . . . . 46 PRO HB1 . 6876 1 459 . 1 1 47 47 PRO HB3 H 1 1.825 0.02 . 2 . . . . 46 PRO HB2 . 6876 1 460 . 1 1 47 47 PRO HG2 H 1 1.983 0.02 . 2 . . . . 46 PRO HG1 . 6876 1 461 . 1 1 47 47 PRO HG3 H 1 1.832 0.02 . 2 . . . . 46 PRO HG2 . 6876 1 462 . 1 1 47 47 PRO HD2 H 1 3.204 0.02 . 2 . . . . 46 PRO HD1 . 6876 1 463 . 1 1 47 47 PRO HD3 H 1 2.666 0.02 . 2 . . . . 46 PRO HD2 . 6876 1 464 . 1 1 47 47 PRO CA C 13 63.524 0.1 . 1 . . . . 46 PRO CA . 6876 1 465 . 1 1 47 47 PRO CB C 13 32.177 0.1 . 1 . . . . 46 PRO CB . 6876 1 466 . 1 1 47 47 PRO CG C 13 26.962 0.1 . 1 . . . . 46 PRO CG . 6876 1 467 . 1 1 47 47 PRO CD C 13 50.471 0.1 . 1 . . . . 46 PRO CD . 6876 1 468 . 1 1 48 48 ASN H H 1 7.557 0.02 . 1 . . . . 47 ASN H . 6876 1 469 . 1 1 48 48 ASN HA H 1 4.438 0.02 . 1 . . . . 47 ASN HA . 6876 1 470 . 1 1 48 48 ASN HB2 H 1 2.6 0.02 . 2 . . . . 47 ASN HB1 . 6876 1 471 . 1 1 48 48 ASN HD21 H 1 7.633 0.02 . 2 . . . . 47 ASN HD21 . 6876 1 472 . 1 1 48 48 ASN HD22 H 1 7.017 0.02 . 2 . . . . 47 ASN HD22 . 6876 1 473 . 1 1 48 48 ASN CA C 13 52.795 0.1 . 1 . . . . 47 ASN CA . 6876 1 474 . 1 1 48 48 ASN CB C 13 37.788 0.1 . 1 . . . . 47 ASN CB . 6876 1 475 . 1 1 48 48 ASN N N 15 114.338 0.05 . 1 . . . . 47 ASN N . 6876 1 476 . 1 1 48 48 ASN ND2 N 15 111.875 0.05 . 1 . . . . 47 ASN ND2 . 6876 1 477 . 1 1 49 49 GLU H H 1 9.024 0.02 . 1 . . . . 48 GLU H . 6876 1 478 . 1 1 49 49 GLU HA H 1 4.064 0.02 . 1 . . . . 48 GLU HA . 6876 1 479 . 1 1 49 49 GLU HB2 H 1 1.941 0.02 . 2 . . . . 48 GLU HB1 . 6876 1 480 . 1 1 49 49 GLU HG2 H 1 2.251 0.02 . 2 . . . . 48 GLU HG1 . 6876 1 481 . 1 1 49 49 GLU CA C 13 58.131 0.1 . 1 . . . . 48 GLU CA . 6876 1 482 . 1 1 49 49 GLU CB C 13 29.36 0.1 . 1 . . . . 48 GLU CB . 6876 1 483 . 1 1 49 49 GLU CG C 13 36.405 0.1 . 1 . . . . 48 GLU CG . 6876 1 484 . 1 1 49 49 GLU N N 15 126.984 0.05 . 1 . . . . 48 GLU N . 6876 1 485 . 1 1 50 50 SER H H 1 7.988 0.02 . 1 . . . . 49 SER H . 6876 1 486 . 1 1 50 50 SER HA H 1 4.113 0.02 . 1 . . . . 49 SER HA . 6876 1 487 . 1 1 50 50 SER HB2 H 1 3.79 0.02 . 2 . . . . 49 SER HB1 . 6876 1 488 . 1 1 50 50 SER CA C 13 60.253 0.1 . 1 . . . . 49 SER CA . 6876 1 489 . 1 1 50 50 SER CB C 13 62.714 0.1 . 1 . . . . 49 SER CB . 6876 1 490 . 1 1 50 50 SER N N 15 112.491 0.05 . 1 . . . . 49 SER N . 6876 1 491 . 1 1 51 51 MET H H 1 7.329 0.02 . 1 . . . . 50 MET H . 6876 1 492 . 1 1 51 51 MET HA H 1 4.45 0.02 . 1 . . . . 50 MET HA . 6876 1 493 . 1 1 51 51 MET HB2 H 1 1.896 0.02 . 2 . . . . 50 MET HB1 . 6876 1 494 . 1 1 51 51 MET HG2 H 1 2.78 0.02 . 2 . . . . 50 MET HG1 . 6876 1 495 . 1 1 51 51 MET HG3 H 1 2.231 0.02 . 2 . . . . 50 MET HG2 . 6876 1 496 . 1 1 51 51 MET HE1 H 1 2.021 0.02 . 1 . . . . 50 MET HE . 6876 1 497 . 1 1 51 51 MET HE2 H 1 2.021 0.02 . 1 . . . . 50 MET HE . 6876 1 498 . 1 1 51 51 MET HE3 H 1 2.021 0.02 . 1 . . . . 50 MET HE . 6876 1 499 . 1 1 51 51 MET CA C 13 55.74 0.1 . 1 . . . . 50 MET CA . 6876 1 500 . 1 1 51 51 MET CB C 13 33.725 0.1 . 1 . . . . 50 MET CB . 6876 1 501 . 1 1 51 51 MET CG C 13 32.653 0.1 . 1 . . . . 50 MET CG . 6876 1 502 . 1 1 51 51 MET CE C 13 18.977 0.1 . 1 . . . . 50 MET CE . 6876 1 503 . 1 1 51 51 MET N N 15 117.851 0.05 . 1 . . . . 50 MET N . 6876 1 504 . 1 1 52 52 PHE H H 1 7.417 0.02 . 1 . . . . 51 PHE H . 6876 1 505 . 1 1 52 52 PHE HA H 1 5.08 0.02 . 1 . . . . 51 PHE HA . 6876 1 506 . 1 1 52 52 PHE HB2 H 1 2.883 0.02 . 2 . . . . 51 PHE HB1 . 6876 1 507 . 1 1 52 52 PHE HB3 H 1 2.692 0.02 . 2 . . . . 51 PHE HB2 . 6876 1 508 . 1 1 52 52 PHE HD1 H 1 6.657 0.02 . 3 . . . . 51 PHE HD1 . 6876 1 509 . 1 1 52 52 PHE HE1 H 1 7.116 0.02 . 3 . . . . 51 PHE HE1 . 6876 1 510 . 1 1 52 52 PHE HZ H 1 7.317 0.02 . 1 . . . . 51 PHE HZ . 6876 1 511 . 1 1 52 52 PHE CA C 13 56.374 0.1 . 1 . . . . 51 PHE CA . 6876 1 512 . 1 1 52 52 PHE CB C 13 39.901 0.1 . 1 . . . . 51 PHE CB . 6876 1 513 . 1 1 52 52 PHE CD1 C 13 132.428 0.1 . 3 . . . . 51 PHE CD1 . 6876 1 514 . 1 1 52 52 PHE N N 15 112.218 0.05 . 1 . . . . 51 PHE N . 6876 1 515 . 1 1 53 53 THR H H 1 8.827 0.02 . 1 . . . . 52 THR H . 6876 1 516 . 1 1 53 53 THR HA H 1 4.822 0.02 . 1 . . . . 52 THR HA . 6876 1 517 . 1 1 53 53 THR HB H 1 4.351 0.02 . 1 . . . . 52 THR HB . 6876 1 518 . 1 1 53 53 THR HG21 H 1 1.235 0.02 . 1 . . . . 52 THR HG2 . 6876 1 519 . 1 1 53 53 THR HG22 H 1 1.235 0.02 . 1 . . . . 52 THR HG2 . 6876 1 520 . 1 1 53 53 THR HG23 H 1 1.235 0.02 . 1 . . . . 52 THR HG2 . 6876 1 521 . 1 1 53 53 THR CA C 13 60.003 0.1 . 1 . . . . 52 THR CA . 6876 1 522 . 1 1 53 53 THR CB C 13 70.802 0.1 . 1 . . . . 52 THR CB . 6876 1 523 . 1 1 53 53 THR CG2 C 13 21.969 0.1 . 1 . . . . 52 THR CG2 . 6876 1 524 . 1 1 53 53 THR N N 15 113.248 0.05 . 1 . . . . 52 THR N . 6876 1 525 . 1 1 54 54 VAL H H 1 8.904 0.02 . 1 . . . . 53 VAL H . 6876 1 526 . 1 1 54 54 VAL HA H 1 5.371 0.02 . 1 . . . . 53 VAL HA . 6876 1 527 . 1 1 54 54 VAL HB H 1 2.181 0.02 . 1 . . . . 53 VAL HB . 6876 1 528 . 1 1 54 54 VAL HG11 H 1 1.339 0.02 . 2 . . . . 53 VAL HG1 . 6876 1 529 . 1 1 54 54 VAL HG12 H 1 1.339 0.02 . 2 . . . . 53 VAL HG1 . 6876 1 530 . 1 1 54 54 VAL HG13 H 1 1.339 0.02 . 2 . . . . 53 VAL HG1 . 6876 1 531 . 1 1 54 54 VAL CA C 13 61.289 0.1 . 1 . . . . 53 VAL CA . 6876 1 532 . 1 1 54 54 VAL CB C 13 36.174 0.1 . 1 . . . . 53 VAL CB . 6876 1 533 . 1 1 54 54 VAL CG1 C 13 22.808 0.1 . 2 . . . . 53 VAL CG1 . 6876 1 534 . 1 1 54 54 VAL N N 15 120.663 0.05 . 1 . . . . 53 VAL N . 6876 1 535 . 1 1 55 55 GLU H H 1 8.601 0.02 . 1 . . . . 54 GLU H . 6876 1 536 . 1 1 55 55 GLU HA H 1 4.861 0.02 . 1 . . . . 54 GLU HA . 6876 1 537 . 1 1 55 55 GLU HB2 H 1 2.155 0.02 . 2 . . . . 54 GLU HB1 . 6876 1 538 . 1 1 55 55 GLU HB3 H 1 1.957 0.02 . 2 . . . . 54 GLU HB2 . 6876 1 539 . 1 1 55 55 GLU HG2 H 1 2.294 0.02 . 2 . . . . 54 GLU HG1 . 6876 1 540 . 1 1 55 55 GLU CA C 13 55.048 0.1 . 1 . . . . 54 GLU CA . 6876 1 541 . 1 1 55 55 GLU CB C 13 33.511 0.1 . 1 . . . . 54 GLU CB . 6876 1 542 . 1 1 55 55 GLU CG C 13 36.541 0.1 . 1 . . . . 54 GLU CG . 6876 1 543 . 1 1 55 55 GLU N N 15 126.267 0.05 . 1 . . . . 54 GLU N . 6876 1 544 . 1 1 56 56 ASN H H 1 9.067 0.02 . 1 . . . . 55 ASN H . 6876 1 545 . 1 1 56 56 ASN HA H 1 5.577 0.02 . 1 . . . . 55 ASN HA . 6876 1 546 . 1 1 56 56 ASN HB2 H 1 2.234 0.02 . 2 . . . . 55 ASN HB1 . 6876 1 547 . 1 1 56 56 ASN HB3 H 1 2.155 0.02 . 2 . . . . 55 ASN HB2 . 6876 1 548 . 1 1 56 56 ASN HD21 H 1 7.514 0.02 . 2 . . . . 55 ASN HD21 . 6876 1 549 . 1 1 56 56 ASN HD22 H 1 5.758 0.02 . 2 . . . . 55 ASN HD22 . 6876 1 550 . 1 1 56 56 ASN CA C 13 52.058 0.1 . 1 . . . . 55 ASN CA . 6876 1 551 . 1 1 56 56 ASN CB C 13 43.748 0.1 . 1 . . . . 55 ASN CB . 6876 1 552 . 1 1 56 56 ASN N N 15 122.864 0.05 . 1 . . . . 55 ASN N . 6876 1 553 . 1 1 56 56 ASN ND2 N 15 114.449 0.05 . 1 . . . . 55 ASN ND2 . 6876 1 554 . 1 1 57 57 LYS H H 1 8.319 0.02 . 1 . . . . 56 LYS H . 6876 1 555 . 1 1 57 57 LYS HA H 1 4.283 0.02 . 1 . . . . 56 LYS HA . 6876 1 556 . 1 1 57 57 LYS HB2 H 1 1.492 0.02 . 2 . . . . 56 LYS HB1 . 6876 1 557 . 1 1 57 57 LYS HG2 H 1 1.002 0.02 . 2 . . . . 56 LYS HG1 . 6876 1 558 . 1 1 57 57 LYS HD2 H 1 1.464 0.02 . 2 . . . . 56 LYS HD1 . 6876 1 559 . 1 1 57 57 LYS HE2 H 1 2.613 0.02 . 2 . . . . 56 LYS HE1 . 6876 1 560 . 1 1 57 57 LYS CA C 13 55.703 0.1 . 1 . . . . 56 LYS CA . 6876 1 561 . 1 1 57 57 LYS CB C 13 37.144 0.1 . 1 . . . . 56 LYS CB . 6876 1 562 . 1 1 57 57 LYS CG C 13 24.542 0.1 . 1 . . . . 56 LYS CG . 6876 1 563 . 1 1 57 57 LYS CD C 13 28.624 0.1 . 1 . . . . 56 LYS CD . 6876 1 564 . 1 1 57 57 LYS N N 15 122.361 0.05 . 1 . . . . 56 LYS N . 6876 1 565 . 1 1 58 58 TYR H H 1 8.449 0.02 . 1 . . . . 57 TYR H . 6876 1 566 . 1 1 58 58 TYR HA H 1 5.036 0.02 . 1 . . . . 57 TYR HA . 6876 1 567 . 1 1 58 58 TYR HB2 H 1 3.096 0.02 . 2 . . . . 57 TYR HB1 . 6876 1 568 . 1 1 58 58 TYR HB3 H 1 2.585 0.02 . 2 . . . . 57 TYR HB2 . 6876 1 569 . 1 1 58 58 TYR HD1 H 1 7.204 0.02 . 3 . . . . 57 TYR HD1 . 6876 1 570 . 1 1 58 58 TYR HE1 H 1 6.883 0.02 . 3 . . . . 57 TYR HE1 . 6876 1 571 . 1 1 58 58 TYR CA C 13 56.974 0.1 . 1 . . . . 57 TYR CA . 6876 1 572 . 1 1 58 58 TYR CB C 13 39.803 0.1 . 1 . . . . 57 TYR CB . 6876 1 573 . 1 1 58 58 TYR N N 15 124.17 0.05 . 1 . . . . 57 TYR N . 6876 1 574 . 1 1 59 59 PHE H H 1 8.485 0.02 . 1 . . . . 58 PHE H . 6876 1 575 . 1 1 59 59 PHE HA H 1 4.572 0.02 . 1 . . . . 58 PHE HA . 6876 1 576 . 1 1 59 59 PHE HB2 H 1 2.727 0.02 . 2 . . . . 58 PHE HB1 . 6876 1 577 . 1 1 59 59 PHE HB3 H 1 2.644 0.02 . 2 . . . . 58 PHE HB2 . 6876 1 578 . 1 1 59 59 PHE HD1 H 1 6.831 0.02 . 3 . . . . 58 PHE HD1 . 6876 1 579 . 1 1 59 59 PHE HE1 H 1 6.977 0.02 . 3 . . . . 58 PHE HE1 . 6876 1 580 . 1 1 59 59 PHE CA C 13 54.075 0.1 . 1 . . . . 58 PHE CA . 6876 1 581 . 1 1 59 59 PHE CB C 13 39.706 0.1 . 1 . . . . 58 PHE CB . 6876 1 582 . 1 1 59 59 PHE CD1 C 13 131.238 0.1 . 3 . . . . 58 PHE CD1 . 6876 1 583 . 1 1 59 59 PHE N N 15 128.832 0.05 . 1 . . . . 58 PHE N . 6876 1 584 . 1 1 60 60 PRO HA H 1 4.502 0.02 . 1 . . . . 59 PRO HA . 6876 1 585 . 1 1 60 60 PRO HB2 H 1 1.95 0.02 . 2 . . . . 59 PRO HB1 . 6876 1 586 . 1 1 60 60 PRO HG2 H 1 2.034 0.02 . 2 . . . . 59 PRO HG1 . 6876 1 587 . 1 1 60 60 PRO HD2 H 1 3.683 0.02 . 2 . . . . 59 PRO HD1 . 6876 1 588 . 1 1 60 60 PRO HD3 H 1 3.513 0.02 . 2 . . . . 59 PRO HD2 . 6876 1 589 . 1 1 60 60 PRO CG C 13 27.044 0.1 . 1 . . . . 59 PRO CG . 6876 1 590 . 1 1 60 60 PRO CD C 13 50.908 0.1 . 1 . . . . 59 PRO CD . 6876 1 591 . 1 1 61 61 PRO HA H 1 4.412 0.02 . 1 . . . . 60 PRO HA . 6876 1 592 . 1 1 61 61 PRO HB2 H 1 2.209 0.02 . 2 . . . . 60 PRO HB1 . 6876 1 593 . 1 1 61 61 PRO HB3 H 1 1.947 0.02 . 2 . . . . 60 PRO HB2 . 6876 1 594 . 1 1 61 61 PRO HG2 H 1 1.987 0.02 . 2 . . . . 60 PRO HG1 . 6876 1 595 . 1 1 61 61 PRO HG3 H 1 1.841 0.02 . 2 . . . . 60 PRO HG2 . 6876 1 596 . 1 1 61 61 PRO HD2 H 1 3.538 0.02 . 2 . . . . 60 PRO HD1 . 6876 1 597 . 1 1 61 61 PRO CA C 13 62.419 0.1 . 1 . . . . 60 PRO CA . 6876 1 598 . 1 1 61 61 PRO CB C 13 31.886 0.1 . 1 . . . . 60 PRO CB . 6876 1 599 . 1 1 61 61 PRO CG C 13 26.954 0.1 . 1 . . . . 60 PRO CG . 6876 1 600 . 1 1 61 61 PRO CD C 13 49.371 0.1 . 1 . . . . 60 PRO CD . 6876 1 601 . 1 1 62 62 ASP H H 1 8.395 0.02 . 1 . . . . 61 ASP H . 6876 1 602 . 1 1 62 62 ASP HA H 1 4.468 0.02 . 1 . . . . 61 ASP HA . 6876 1 603 . 1 1 62 62 ASP HB2 H 1 2.627 0.02 . 2 . . . . 61 ASP HB1 . 6876 1 604 . 1 1 62 62 ASP CA C 13 54.653 0.1 . 1 . . . . 61 ASP CA . 6876 1 605 . 1 1 62 62 ASP CB C 13 41.402 0.1 . 1 . . . . 61 ASP CB . 6876 1 606 . 1 1 62 62 ASP N N 15 121.17 0.05 . 1 . . . . 61 ASP N . 6876 1 607 . 1 1 63 63 SER H H 1 8.058 0.02 . 1 . . . . 62 SER H . 6876 1 608 . 1 1 63 63 SER HA H 1 4.279 0.02 . 1 . . . . 62 SER HA . 6876 1 609 . 1 1 63 63 SER HB2 H 1 3.932 0.02 . 2 . . . . 62 SER HB1 . 6876 1 610 . 1 1 63 63 SER HB3 H 1 3.781 0.02 . 2 . . . . 62 SER HB2 . 6876 1 611 . 1 1 63 63 SER CA C 13 58.952 0.1 . 1 . . . . 62 SER CA . 6876 1 612 . 1 1 63 63 SER CB C 13 63.795 0.1 . 1 . . . . 62 SER CB . 6876 1 613 . 1 1 63 63 SER N N 15 116.143 0.05 . 1 . . . . 62 SER N . 6876 1 614 . 1 1 64 64 LYS H H 1 8.493 0.02 . 1 . . . . 63 LYS H . 6876 1 615 . 1 1 64 64 LYS HA H 1 4.251 0.02 . 1 . . . . 63 LYS HA . 6876 1 616 . 1 1 64 64 LYS HB2 H 1 1.898 0.02 . 2 . . . . 63 LYS HB1 . 6876 1 617 . 1 1 64 64 LYS HB3 H 1 1.772 0.02 . 2 . . . . 63 LYS HB2 . 6876 1 618 . 1 1 64 64 LYS HG2 H 1 1.439 0.02 . 2 . . . . 63 LYS HG1 . 6876 1 619 . 1 1 64 64 LYS HD2 H 1 1.664 0.02 . 2 . . . . 63 LYS HD1 . 6876 1 620 . 1 1 64 64 LYS HE2 H 1 2.97 0.02 . 2 . . . . 63 LYS HE1 . 6876 1 621 . 1 1 64 64 LYS CA C 13 56.787 0.1 . 1 . . . . 63 LYS CA . 6876 1 622 . 1 1 64 64 LYS CB C 13 31.729 0.1 . 1 . . . . 63 LYS CB . 6876 1 623 . 1 1 64 64 LYS CG C 13 24.925 0.1 . 1 . . . . 63 LYS CG . 6876 1 624 . 1 1 64 64 LYS CD C 13 28.616 0.1 . 1 . . . . 63 LYS CD . 6876 1 625 . 1 1 64 64 LYS CE C 13 41.621 0.1 . 1 . . . . 63 LYS CE . 6876 1 626 . 1 1 64 64 LYS N N 15 121.19 0.05 . 1 . . . . 63 LYS N . 6876 1 627 . 1 1 65 65 LEU H H 1 7.78 0.02 . 1 . . . . 64 LEU H . 6876 1 628 . 1 1 65 65 LEU HA H 1 4.343 0.02 . 1 . . . . 64 LEU HA . 6876 1 629 . 1 1 65 65 LEU HB2 H 1 1.562 0.02 . 2 . . . . 64 LEU HB1 . 6876 1 630 . 1 1 65 65 LEU HG H 1 1.545 0.02 . 1 . . . . 64 LEU HG . 6876 1 631 . 1 1 65 65 LEU HD11 H 1 0.894 0.02 . 2 . . . . 64 LEU HD1 . 6876 1 632 . 1 1 65 65 LEU HD12 H 1 0.894 0.02 . 2 . . . . 64 LEU HD1 . 6876 1 633 . 1 1 65 65 LEU HD13 H 1 0.894 0.02 . 2 . . . . 64 LEU HD1 . 6876 1 634 . 1 1 65 65 LEU HD21 H 1 0.841 0.02 . 2 . . . . 64 LEU HD2 . 6876 1 635 . 1 1 65 65 LEU HD22 H 1 0.841 0.02 . 2 . . . . 64 LEU HD2 . 6876 1 636 . 1 1 65 65 LEU HD23 H 1 0.841 0.02 . 2 . . . . 64 LEU HD2 . 6876 1 637 . 1 1 65 65 LEU CA C 13 54.561 0.1 . 1 . . . . 64 LEU CA . 6876 1 638 . 1 1 65 65 LEU CB C 13 41.911 0.1 . 1 . . . . 64 LEU CB . 6876 1 639 . 1 1 65 65 LEU CG C 13 26.772 0.1 . 1 . . . . 64 LEU CG . 6876 1 640 . 1 1 65 65 LEU CD1 C 13 24.594 0.1 . 2 . . . . 64 LEU CD1 . 6876 1 641 . 1 1 65 65 LEU CD2 C 13 23.475 0.1 . 2 . . . . 64 LEU CD2 . 6876 1 642 . 1 1 65 65 LEU N N 15 121.26 0.05 . 1 . . . . 64 LEU N . 6876 1 643 . 1 1 66 66 LEU H H 1 8.13 0.02 . 1 . . . . 65 LEU H . 6876 1 644 . 1 1 66 66 LEU HA H 1 4.165 0.02 . 1 . . . . 65 LEU HA . 6876 1 645 . 1 1 66 66 LEU HB2 H 1 1.604 0.02 . 2 . . . . 65 LEU HB1 . 6876 1 646 . 1 1 66 66 LEU HG H 1 1.598 0.02 . 1 . . . . 65 LEU HG . 6876 1 647 . 1 1 66 66 LEU HD11 H 1 0.903 0.02 . 2 . . . . 65 LEU HD1 . 6876 1 648 . 1 1 66 66 LEU HD12 H 1 0.903 0.02 . 2 . . . . 65 LEU HD1 . 6876 1 649 . 1 1 66 66 LEU HD13 H 1 0.903 0.02 . 2 . . . . 65 LEU HD1 . 6876 1 650 . 1 1 66 66 LEU HD21 H 1 0.89 0.02 . 2 . . . . 65 LEU HD2 . 6876 1 651 . 1 1 66 66 LEU HD22 H 1 0.89 0.02 . 2 . . . . 65 LEU HD2 . 6876 1 652 . 1 1 66 66 LEU HD23 H 1 0.89 0.02 . 2 . . . . 65 LEU HD2 . 6876 1 653 . 1 1 66 66 LEU CA C 13 56.288 0.1 . 1 . . . . 65 LEU CA . 6876 1 654 . 1 1 66 66 LEU CB C 13 41.586 0.1 . 1 . . . . 65 LEU CB . 6876 1 655 . 1 1 66 66 LEU CG C 13 26.941 0.1 . 1 . . . . 65 LEU CG . 6876 1 656 . 1 1 66 66 LEU CD1 C 13 24.757 0.1 . 2 . . . . 65 LEU CD1 . 6876 1 657 . 1 1 66 66 LEU CD2 C 13 23.633 0.1 . 2 . . . . 65 LEU CD2 . 6876 1 658 . 1 1 66 66 LEU N N 15 123.591 0.05 . 1 . . . . 65 LEU N . 6876 1 659 . 1 1 67 67 GLY H H 1 8.676 0.02 . 1 . . . . 66 GLY H . 6876 1 660 . 1 1 67 67 GLY HA2 H 1 4.016 0.02 . 2 . . . . 66 GLY HA1 . 6876 1 661 . 1 1 67 67 GLY HA3 H 1 3.776 0.02 . 2 . . . . 66 GLY HA2 . 6876 1 662 . 1 1 67 67 GLY CA C 13 45.555 0.1 . 1 . . . . 66 GLY CA . 6876 1 663 . 1 1 67 67 GLY N N 15 110.855 0.05 . 1 . . . . 66 GLY N . 6876 1 664 . 1 1 68 68 ALA H H 1 7.672 0.02 . 1 . . . . 67 ALA H . 6876 1 665 . 1 1 68 68 ALA HA H 1 4.341 0.02 . 1 . . . . 67 ALA HA . 6876 1 666 . 1 1 68 68 ALA HB1 H 1 1.417 0.02 . 1 . . . . 67 ALA HB . 6876 1 667 . 1 1 68 68 ALA HB2 H 1 1.417 0.02 . 1 . . . . 67 ALA HB . 6876 1 668 . 1 1 68 68 ALA HB3 H 1 1.417 0.02 . 1 . . . . 67 ALA HB . 6876 1 669 . 1 1 68 68 ALA CA C 13 52.195 0.1 . 1 . . . . 67 ALA CA . 6876 1 670 . 1 1 68 68 ALA CB C 13 19.758 0.1 . 1 . . . . 67 ALA CB . 6876 1 671 . 1 1 68 68 ALA N N 15 122.77 0.05 . 1 . . . . 67 ALA N . 6876 1 672 . 1 1 69 69 GLY H H 1 8.355 0.02 . 1 . . . . 68 GLY H . 6876 1 673 . 1 1 69 69 GLY HA2 H 1 4.049 0.02 . 2 . . . . 68 GLY HA1 . 6876 1 674 . 1 1 69 69 GLY CA C 13 44.814 0.1 . 1 . . . . 68 GLY CA . 6876 1 675 . 1 1 69 69 GLY N N 15 107.312 0.05 . 1 . . . . 68 GLY N . 6876 1 676 . 1 1 70 70 GLY H H 1 8.224 0.02 . 1 . . . . 69 GLY H . 6876 1 677 . 1 1 70 70 GLY HA2 H 1 4.409 0.02 . 2 . . . . 69 GLY HA1 . 6876 1 678 . 1 1 70 70 GLY HA3 H 1 4.244 0.02 . 2 . . . . 69 GLY HA2 . 6876 1 679 . 1 1 70 70 GLY CA C 13 44.435 0.1 . 1 . . . . 69 GLY CA . 6876 1 680 . 1 1 70 70 GLY N N 15 109.867 0.05 . 1 . . . . 69 GLY N . 6876 1 681 . 1 1 71 71 THR H H 1 8.399 0.02 . 1 . . . . 70 THR H . 6876 1 682 . 1 1 71 71 THR HA H 1 5.096 0.02 . 1 . . . . 70 THR HA . 6876 1 683 . 1 1 71 71 THR HB H 1 3.796 0.02 . 1 . . . . 70 THR HB . 6876 1 684 . 1 1 71 71 THR HG21 H 1 0.974 0.02 . 1 . . . . 70 THR HG2 . 6876 1 685 . 1 1 71 71 THR HG22 H 1 0.974 0.02 . 1 . . . . 70 THR HG2 . 6876 1 686 . 1 1 71 71 THR HG23 H 1 0.974 0.02 . 1 . . . . 70 THR HG2 . 6876 1 687 . 1 1 71 71 THR CA C 13 60.918 0.1 . 1 . . . . 70 THR CA . 6876 1 688 . 1 1 71 71 THR CB C 13 72.099 0.1 . 1 . . . . 70 THR CB . 6876 1 689 . 1 1 71 71 THR CG2 C 13 21.99 0.1 . 1 . . . . 70 THR CG2 . 6876 1 690 . 1 1 71 71 THR N N 15 116.257 0.05 . 1 . . . . 70 THR N . 6876 1 691 . 1 1 72 72 GLU H H 1 9.581 0.02 . 1 . . . . 71 GLU H . 6876 1 692 . 1 1 72 72 GLU HA H 1 5.065 0.02 . 1 . . . . 71 GLU HA . 6876 1 693 . 1 1 72 72 GLU HB2 H 1 1.985 0.02 . 2 . . . . 71 GLU HB1 . 6876 1 694 . 1 1 72 72 GLU HB3 H 1 1.881 0.02 . 2 . . . . 71 GLU HB2 . 6876 1 695 . 1 1 72 72 GLU HG2 H 1 2.521 0.02 . 2 . . . . 71 GLU HG1 . 6876 1 696 . 1 1 72 72 GLU HG3 H 1 2.319 0.02 . 2 . . . . 71 GLU HG2 . 6876 1 697 . 1 1 72 72 GLU CA C 13 56.775 0.1 . 1 . . . . 71 GLU CA . 6876 1 698 . 1 1 72 72 GLU CB C 13 33.6 0.1 . 1 . . . . 71 GLU CB . 6876 1 699 . 1 1 72 72 GLU CG C 13 40.35 0.1 . 1 . . . . 71 GLU CG . 6876 1 700 . 1 1 72 72 GLU N N 15 123.854 0.05 . 1 . . . . 71 GLU N . 6876 1 701 . 1 1 73 73 HIS H H 1 9.311 0.02 . 1 . . . . 72 HIS H . 6876 1 702 . 1 1 73 73 HIS HA H 1 5.705 0.02 . 1 . . . . 72 HIS HA . 6876 1 703 . 1 1 73 73 HIS HB2 H 1 3.002 0.02 . 2 . . . . 72 HIS HB1 . 6876 1 704 . 1 1 73 73 HIS HB3 H 1 2.654 0.02 . 2 . . . . 72 HIS HB2 . 6876 1 705 . 1 1 73 73 HIS HE1 H 1 7.377 0.02 . 1 . . . . 72 HIS HE1 . 6876 1 706 . 1 1 73 73 HIS CA C 13 53.224 0.1 . 1 . . . . 72 HIS CA . 6876 1 707 . 1 1 73 73 HIS CB C 13 31.729 0.1 . 1 . . . . 72 HIS CB . 6876 1 708 . 1 1 73 73 HIS CE1 C 13 137.32 0.1 . 1 . . . . 72 HIS CE1 . 6876 1 709 . 1 1 73 73 HIS N N 15 121.194 0.05 . 1 . . . . 72 HIS N . 6876 1 710 . 1 1 74 74 PHE H H 1 9.61 0.02 . 1 . . . . 73 PHE H . 6876 1 711 . 1 1 74 74 PHE HA H 1 5.075 0.02 . 1 . . . . 73 PHE HA . 6876 1 712 . 1 1 74 74 PHE HB2 H 1 2.816 0.02 . 2 . . . . 73 PHE HB1 . 6876 1 713 . 1 1 74 74 PHE HB3 H 1 2.583 0.02 . 2 . . . . 73 PHE HB2 . 6876 1 714 . 1 1 74 74 PHE HD1 H 1 6.876 0.02 . 3 . . . . 73 PHE HD1 . 6876 1 715 . 1 1 74 74 PHE CA C 13 56.75 0.1 . 1 . . . . 73 PHE CA . 6876 1 716 . 1 1 74 74 PHE CB C 13 40.901 0.1 . 1 . . . . 73 PHE CB . 6876 1 717 . 1 1 74 74 PHE CD1 C 13 130.788 0.1 . 3 . . . . 73 PHE CD1 . 6876 1 718 . 1 1 74 74 PHE N N 15 121.391 0.05 . 1 . . . . 73 PHE N . 6876 1 719 . 1 1 75 75 HIS H H 1 9.594 0.02 . 1 . . . . 74 HIS H . 6876 1 720 . 1 1 75 75 HIS HA H 1 5.325 0.02 . 1 . . . . 74 HIS HA . 6876 1 721 . 1 1 75 75 HIS HB2 H 1 3.21 0.02 . 2 . . . . 74 HIS HB1 . 6876 1 722 . 1 1 75 75 HIS HB3 H 1 2.987 0.02 . 2 . . . . 74 HIS HB2 . 6876 1 723 . 1 1 75 75 HIS HE1 H 1 7.818 0.02 . 1 . . . . 74 HIS HE1 . 6876 1 724 . 1 1 75 75 HIS CA C 13 53.871 0.1 . 1 . . . . 74 HIS CA . 6876 1 725 . 1 1 75 75 HIS CB C 13 30.407 0.1 . 1 . . . . 74 HIS CB . 6876 1 726 . 1 1 75 75 HIS CE1 C 13 138.7 0.1 . 1 . . . . 74 HIS CE1 . 6876 1 727 . 1 1 75 75 HIS N N 15 124.449 0.05 . 1 . . . . 74 HIS N . 6876 1 728 . 1 1 76 76 VAL H H 1 9.793 0.02 . 1 . . . . 75 VAL H . 6876 1 729 . 1 1 76 76 VAL HA H 1 5.13 0.02 . 1 . . . . 75 VAL HA . 6876 1 730 . 1 1 76 76 VAL HB H 1 2.001 0.02 . 1 . . . . 75 VAL HB . 6876 1 731 . 1 1 76 76 VAL HG11 H 1 0.905 0.02 . 2 . . . . 75 VAL HG1 . 6876 1 732 . 1 1 76 76 VAL HG12 H 1 0.905 0.02 . 2 . . . . 75 VAL HG1 . 6876 1 733 . 1 1 76 76 VAL HG13 H 1 0.905 0.02 . 2 . . . . 75 VAL HG1 . 6876 1 734 . 1 1 76 76 VAL HG21 H 1 0.609 0.02 . 2 . . . . 75 VAL HG2 . 6876 1 735 . 1 1 76 76 VAL HG22 H 1 0.609 0.02 . 2 . . . . 75 VAL HG2 . 6876 1 736 . 1 1 76 76 VAL HG23 H 1 0.609 0.02 . 2 . . . . 75 VAL HG2 . 6876 1 737 . 1 1 76 76 VAL CA C 13 61.357 0.1 . 1 . . . . 75 VAL CA . 6876 1 738 . 1 1 76 76 VAL CB C 13 33.847 0.1 . 1 . . . . 75 VAL CB . 6876 1 739 . 1 1 76 76 VAL CG1 C 13 21.129 0.1 . 2 . . . . 75 VAL CG1 . 6876 1 740 . 1 1 76 76 VAL CG2 C 13 21.14 0.1 . 2 . . . . 75 VAL CG2 . 6876 1 741 . 1 1 76 76 VAL N N 15 130.112 0.05 . 1 . . . . 75 VAL N . 6876 1 742 . 1 1 77 77 THR H H 1 8.713 0.02 . 1 . . . . 76 THR H . 6876 1 743 . 1 1 77 77 THR HA H 1 4.863 0.02 . 1 . . . . 76 THR HA . 6876 1 744 . 1 1 77 77 THR HB H 1 4.031 0.02 . 1 . . . . 76 THR HB . 6876 1 745 . 1 1 77 77 THR HG21 H 1 0.894 0.02 . 1 . . . . 76 THR HG2 . 6876 1 746 . 1 1 77 77 THR HG22 H 1 0.894 0.02 . 1 . . . . 76 THR HG2 . 6876 1 747 . 1 1 77 77 THR HG23 H 1 0.894 0.02 . 1 . . . . 76 THR HG2 . 6876 1 748 . 1 1 77 77 THR CA C 13 61.751 0.1 . 1 . . . . 76 THR CA . 6876 1 749 . 1 1 77 77 THR CB C 13 69.207 0.1 . 1 . . . . 76 THR CB . 6876 1 750 . 1 1 77 77 THR CG2 C 13 20.365 0.1 . 1 . . . . 76 THR CG2 . 6876 1 751 . 1 1 77 77 THR N N 15 123.73 0.05 . 1 . . . . 76 THR N . 6876 1 752 . 1 1 78 78 VAL H H 1 8.668 0.02 . 1 . . . . 77 VAL H . 6876 1 753 . 1 1 78 78 VAL HA H 1 3.816 0.02 . 1 . . . . 77 VAL HA . 6876 1 754 . 1 1 78 78 VAL HB H 1 2.043 0.02 . 1 . . . . 77 VAL HB . 6876 1 755 . 1 1 78 78 VAL HG11 H 1 0.914 0.02 . 2 . . . . 77 VAL HG1 . 6876 1 756 . 1 1 78 78 VAL HG12 H 1 0.914 0.02 . 2 . . . . 77 VAL HG1 . 6876 1 757 . 1 1 78 78 VAL HG13 H 1 0.914 0.02 . 2 . . . . 77 VAL HG1 . 6876 1 758 . 1 1 78 78 VAL HG21 H 1 0.837 0.02 . 2 . . . . 77 VAL HG2 . 6876 1 759 . 1 1 78 78 VAL HG22 H 1 0.837 0.02 . 2 . . . . 77 VAL HG2 . 6876 1 760 . 1 1 78 78 VAL HG23 H 1 0.837 0.02 . 2 . . . . 77 VAL HG2 . 6876 1 761 . 1 1 78 78 VAL CA C 13 63.892 0.1 . 1 . . . . 77 VAL CA . 6876 1 762 . 1 1 78 78 VAL CB C 13 31.146 0.1 . 1 . . . . 77 VAL CB . 6876 1 763 . 1 1 78 78 VAL CG1 C 13 22.832 0.1 . 2 . . . . 77 VAL CG1 . 6876 1 764 . 1 1 78 78 VAL CG2 C 13 22.979 0.1 . 2 . . . . 77 VAL CG2 . 6876 1 765 . 1 1 78 78 VAL N N 15 127.028 0.05 . 1 . . . . 77 VAL N . 6876 1 766 . 1 1 79 79 LYS H H 1 8.558 0.02 . 1 . . . . 78 LYS H . 6876 1 767 . 1 1 79 79 LYS HA H 1 4.461 0.02 . 1 . . . . 78 LYS HA . 6876 1 768 . 1 1 79 79 LYS HB2 H 1 1.82 0.02 . 2 . . . . 78 LYS HB1 . 6876 1 769 . 1 1 79 79 LYS HB3 H 1 1.35 0.02 . 2 . . . . 78 LYS HB2 . 6876 1 770 . 1 1 79 79 LYS HG2 H 1 1.35 0.02 . 2 . . . . 78 LYS HG1 . 6876 1 771 . 1 1 79 79 LYS HD2 H 1 1.565 0.02 . 2 . . . . 78 LYS HD1 . 6876 1 772 . 1 1 79 79 LYS HE2 H 1 2.886 0.02 . 2 . . . . 78 LYS HE1 . 6876 1 773 . 1 1 79 79 LYS CA C 13 55.4 0.1 . 1 . . . . 78 LYS CA . 6876 1 774 . 1 1 79 79 LYS CB C 13 33.12 0.1 . 1 . . . . 78 LYS CB . 6876 1 775 . 1 1 79 79 LYS CG C 13 23.698 0.1 . 1 . . . . 78 LYS CG . 6876 1 776 . 1 1 79 79 LYS CD C 13 27.918 0.1 . 1 . . . . 78 LYS CD . 6876 1 777 . 1 1 79 79 LYS CE C 13 41.383 0.1 . 1 . . . . 78 LYS CE . 6876 1 778 . 1 1 79 79 LYS N N 15 125.21 0.05 . 1 . . . . 78 LYS N . 6876 1 779 . 1 1 80 80 ALA H H 1 7.314 0.02 . 1 . . . . 79 ALA H . 6876 1 780 . 1 1 80 80 ALA HA H 1 4.696 0.02 . 1 . . . . 79 ALA HA . 6876 1 781 . 1 1 80 80 ALA HB1 H 1 1.568 0.02 . 1 . . . . 79 ALA HB . 6876 1 782 . 1 1 80 80 ALA HB2 H 1 1.568 0.02 . 1 . . . . 79 ALA HB . 6876 1 783 . 1 1 80 80 ALA HB3 H 1 1.568 0.02 . 1 . . . . 79 ALA HB . 6876 1 784 . 1 1 80 80 ALA CA C 13 50.741 0.1 . 1 . . . . 79 ALA CA . 6876 1 785 . 1 1 80 80 ALA CB C 13 23.386 0.1 . 1 . . . . 79 ALA CB . 6876 1 786 . 1 1 80 80 ALA N N 15 121.098 0.05 . 1 . . . . 79 ALA N . 6876 1 787 . 1 1 81 81 ALA H H 1 8.662 0.02 . 1 . . . . 80 ALA H . 6876 1 788 . 1 1 81 81 ALA HA H 1 3.992 0.02 . 1 . . . . 80 ALA HA . 6876 1 789 . 1 1 81 81 ALA HB1 H 1 1.408 0.02 . 1 . . . . 80 ALA HB . 6876 1 790 . 1 1 81 81 ALA HB2 H 1 1.408 0.02 . 1 . . . . 80 ALA HB . 6876 1 791 . 1 1 81 81 ALA HB3 H 1 1.408 0.02 . 1 . . . . 80 ALA HB . 6876 1 792 . 1 1 81 81 ALA CA C 13 52.379 0.1 . 1 . . . . 80 ALA CA . 6876 1 793 . 1 1 81 81 ALA CB C 13 19.3 0.1 . 1 . . . . 80 ALA CB . 6876 1 794 . 1 1 81 81 ALA N N 15 123.986 0.05 . 1 . . . . 80 ALA N . 6876 1 795 . 1 1 82 82 GLY H H 1 8.452 0.02 . 1 . . . . 81 GLY H . 6876 1 796 . 1 1 82 82 GLY HA2 H 1 4.252 0.02 . 2 . . . . 81 GLY HA1 . 6876 1 797 . 1 1 82 82 GLY HA3 H 1 3.666 0.02 . 2 . . . . 81 GLY HA2 . 6876 1 798 . 1 1 82 82 GLY CA C 13 43.751 0.1 . 1 . . . . 81 GLY CA . 6876 1 799 . 1 1 82 82 GLY N N 15 108.515 0.05 . 1 . . . . 81 GLY N . 6876 1 800 . 1 1 83 83 THR H H 1 8.129 0.02 . 1 . . . . 82 THR H . 6876 1 801 . 1 1 83 83 THR HA H 1 4.913 0.02 . 1 . . . . 82 THR HA . 6876 1 802 . 1 1 83 83 THR HB H 1 3.864 0.02 . 1 . . . . 82 THR HB . 6876 1 803 . 1 1 83 83 THR HG21 H 1 0.939 0.02 . 1 . . . . 82 THR HG2 . 6876 1 804 . 1 1 83 83 THR HG22 H 1 0.939 0.02 . 1 . . . . 82 THR HG2 . 6876 1 805 . 1 1 83 83 THR HG23 H 1 0.939 0.02 . 1 . . . . 82 THR HG2 . 6876 1 806 . 1 1 83 83 THR CA C 13 61.978 0.1 . 1 . . . . 82 THR CA . 6876 1 807 . 1 1 83 83 THR CB C 13 68.708 0.1 . 1 . . . . 82 THR CB . 6876 1 808 . 1 1 83 83 THR CG2 C 13 21.481 0.1 . 1 . . . . 82 THR CG2 . 6876 1 809 . 1 1 83 83 THR N N 15 115.51 0.05 . 1 . . . . 82 THR N . 6876 1 810 . 1 1 84 84 HIS H H 1 9.021 0.02 . 1 . . . . 83 HIS H . 6876 1 811 . 1 1 84 84 HIS HA H 1 4.918 0.02 . 1 . . . . 83 HIS HA . 6876 1 812 . 1 1 84 84 HIS HB2 H 1 2.901 0.02 . 2 . . . . 83 HIS HB1 . 6876 1 813 . 1 1 84 84 HIS HB3 H 1 2.788 0.02 . 2 . . . . 83 HIS HB2 . 6876 1 814 . 1 1 84 84 HIS HE1 H 1 7.818 0.02 . 1 . . . . 83 HIS HE1 . 6876 1 815 . 1 1 84 84 HIS CA C 13 54.091 0.1 . 1 . . . . 83 HIS CA . 6876 1 816 . 1 1 84 84 HIS CB C 13 32.732 0.1 . 1 . . . . 83 HIS CB . 6876 1 817 . 1 1 84 84 HIS CE1 C 13 138.744 0.1 . 1 . . . . 83 HIS CE1 . 6876 1 818 . 1 1 84 84 HIS N N 15 127.934 0.05 . 1 . . . . 83 HIS N . 6876 1 819 . 1 1 85 85 ALA H H 1 9.072 0.02 . 1 . . . . 84 ALA H . 6876 1 820 . 1 1 85 85 ALA HA H 1 4.497 0.02 . 1 . . . . 84 ALA HA . 6876 1 821 . 1 1 85 85 ALA HB1 H 1 1.352 0.02 . 1 . . . . 84 ALA HB . 6876 1 822 . 1 1 85 85 ALA HB2 H 1 1.352 0.02 . 1 . . . . 84 ALA HB . 6876 1 823 . 1 1 85 85 ALA HB3 H 1 1.352 0.02 . 1 . . . . 84 ALA HB . 6876 1 824 . 1 1 85 85 ALA CA C 13 51.569 0.1 . 1 . . . . 84 ALA CA . 6876 1 825 . 1 1 85 85 ALA CB C 13 19.776 0.1 . 1 . . . . 84 ALA CB . 6876 1 826 . 1 1 85 85 ALA N N 15 127.52 0.05 . 1 . . . . 84 ALA N . 6876 1 827 . 1 1 86 86 VAL H H 1 8.592 0.02 . 1 . . . . 85 VAL H . 6876 1 828 . 1 1 86 86 VAL HA H 1 3.998 0.02 . 1 . . . . 85 VAL HA . 6876 1 829 . 1 1 86 86 VAL HB H 1 2.046 0.02 . 1 . . . . 85 VAL HB . 6876 1 830 . 1 1 86 86 VAL HG11 H 1 0.589 0.02 . 2 . . . . 85 VAL HG1 . 6876 1 831 . 1 1 86 86 VAL HG12 H 1 0.589 0.02 . 2 . . . . 85 VAL HG1 . 6876 1 832 . 1 1 86 86 VAL HG13 H 1 0.589 0.02 . 2 . . . . 85 VAL HG1 . 6876 1 833 . 1 1 86 86 VAL HG21 H 1 0.267 0.02 . 2 . . . . 85 VAL HG2 . 6876 1 834 . 1 1 86 86 VAL HG22 H 1 0.267 0.02 . 2 . . . . 85 VAL HG2 . 6876 1 835 . 1 1 86 86 VAL HG23 H 1 0.267 0.02 . 2 . . . . 85 VAL HG2 . 6876 1 836 . 1 1 86 86 VAL CA C 13 62.025 0.1 . 1 . . . . 85 VAL CA . 6876 1 837 . 1 1 86 86 VAL CB C 13 30.96 0.1 . 1 . . . . 85 VAL CB . 6876 1 838 . 1 1 86 86 VAL CG1 C 13 20.067 0.1 . 2 . . . . 85 VAL CG1 . 6876 1 839 . 1 1 86 86 VAL CG2 C 13 20.067 0.1 . 2 . . . . 85 VAL CG2 . 6876 1 840 . 1 1 86 86 VAL N N 15 126.143 0.05 . 1 . . . . 85 VAL N . 6876 1 841 . 1 1 87 87 ASN H H 1 8.777 0.02 . 1 . . . . 86 ASN H . 6876 1 842 . 1 1 87 87 ASN HA H 1 5.393 0.02 . 1 . . . . 86 ASN HA . 6876 1 843 . 1 1 87 87 ASN HB2 H 1 2.701 0.02 . 2 . . . . 86 ASN HB1 . 6876 1 844 . 1 1 87 87 ASN HD21 H 1 7.563 0.02 . 2 . . . . 86 ASN HD21 . 6876 1 845 . 1 1 87 87 ASN HD22 H 1 6.63 0.02 . 2 . . . . 86 ASN HD22 . 6876 1 846 . 1 1 87 87 ASN CA C 13 52.096 0.1 . 1 . . . . 86 ASN CA . 6876 1 847 . 1 1 87 87 ASN CB C 13 40.691 0.1 . 1 . . . . 86 ASN CB . 6876 1 848 . 1 1 87 87 ASN N N 15 124.452 0.05 . 1 . . . . 86 ASN N . 6876 1 849 . 1 1 87 87 ASN ND2 N 15 114.127 0.05 . 1 . . . . 86 ASN ND2 . 6876 1 850 . 1 1 88 88 LEU H H 1 9.334 0.02 . 1 . . . . 87 LEU H . 6876 1 851 . 1 1 88 88 LEU HA H 1 4.887 0.02 . 1 . . . . 87 LEU HA . 6876 1 852 . 1 1 88 88 LEU HB2 H 1 1.494 0.02 . 2 . . . . 87 LEU HB1 . 6876 1 853 . 1 1 88 88 LEU HB3 H 1 1.246 0.02 . 2 . . . . 87 LEU HB2 . 6876 1 854 . 1 1 88 88 LEU HG H 1 0.659 0.02 . 1 . . . . 87 LEU HG . 6876 1 855 . 1 1 88 88 LEU HD11 H 1 -0.46 0.02 . 2 . . . . 87 LEU HD1 . 6876 1 856 . 1 1 88 88 LEU HD12 H 1 -0.46 0.02 . 2 . . . . 87 LEU HD1 . 6876 1 857 . 1 1 88 88 LEU HD13 H 1 -0.46 0.02 . 2 . . . . 87 LEU HD1 . 6876 1 858 . 1 1 88 88 LEU HD21 H 1 -0.806 0.02 . 2 . . . . 87 LEU HD2 . 6876 1 859 . 1 1 88 88 LEU HD22 H 1 -0.806 0.02 . 2 . . . . 87 LEU HD2 . 6876 1 860 . 1 1 88 88 LEU HD23 H 1 -0.806 0.02 . 2 . . . . 87 LEU HD2 . 6876 1 861 . 1 1 88 88 LEU CA C 13 53.155 0.1 . 1 . . . . 87 LEU CA . 6876 1 862 . 1 1 88 88 LEU CB C 13 47.864 0.1 . 1 . . . . 87 LEU CB . 6876 1 863 . 1 1 88 88 LEU CG C 13 26.174 0.1 . 1 . . . . 87 LEU CG . 6876 1 864 . 1 1 88 88 LEU CD1 C 13 24.757 0.1 . 2 . . . . 87 LEU CD1 . 6876 1 865 . 1 1 88 88 LEU CD2 C 13 21.99 0.1 . 2 . . . . 87 LEU CD2 . 6876 1 866 . 1 1 88 88 LEU N N 15 124.87 0.05 . 1 . . . . 87 LEU N . 6876 1 867 . 1 1 89 89 THR H H 1 9.392 0.02 . 1 . . . . 88 THR H . 6876 1 868 . 1 1 89 89 THR HA H 1 5.16 0.02 . 1 . . . . 88 THR HA . 6876 1 869 . 1 1 89 89 THR HB H 1 3.836 0.02 . 1 . . . . 88 THR HB . 6876 1 870 . 1 1 89 89 THR HG21 H 1 1.085 0.02 . 1 . . . . 88 THR HG2 . 6876 1 871 . 1 1 89 89 THR HG22 H 1 1.085 0.02 . 1 . . . . 88 THR HG2 . 6876 1 872 . 1 1 89 89 THR HG23 H 1 1.085 0.02 . 1 . . . . 88 THR HG2 . 6876 1 873 . 1 1 89 89 THR CA C 13 62.016 0.1 . 1 . . . . 88 THR CA . 6876 1 874 . 1 1 89 89 THR CB C 13 71.459 0.1 . 1 . . . . 88 THR CB . 6876 1 875 . 1 1 89 89 THR CG2 C 13 22.339 0.1 . 1 . . . . 88 THR CG2 . 6876 1 876 . 1 1 89 89 THR N N 15 118.498 0.05 . 1 . . . . 88 THR N . 6876 1 877 . 1 1 90 90 TYR H H 1 8.534 0.02 . 1 . . . . 89 TYR H . 6876 1 878 . 1 1 90 90 TYR HA H 1 4.42 0.02 . 1 . . . . 89 TYR HA . 6876 1 879 . 1 1 90 90 TYR HB2 H 1 2.263 0.02 . 2 . . . . 89 TYR HB1 . 6876 1 880 . 1 1 90 90 TYR HB3 H 1 0.042 0.02 . 2 . . . . 89 TYR HB2 . 6876 1 881 . 1 1 90 90 TYR HD1 H 1 5.581 0.02 . 3 . . . . 89 TYR HD1 . 6876 1 882 . 1 1 90 90 TYR HE1 H 1 6.468 0.02 . 3 . . . . 89 TYR HE1 . 6876 1 883 . 1 1 90 90 TYR CA C 13 55.844 0.1 . 1 . . . . 89 TYR CA . 6876 1 884 . 1 1 90 90 TYR CB C 13 36.467 0.1 . 1 . . . . 89 TYR CB . 6876 1 885 . 1 1 90 90 TYR CD1 C 13 132.528 0.1 . 3 . . . . 89 TYR CD1 . 6876 1 886 . 1 1 90 90 TYR CE1 C 13 117.475 0.1 . 3 . . . . 89 TYR CE1 . 6876 1 887 . 1 1 90 90 TYR N N 15 132.65 0.05 . 1 . . . . 89 TYR N . 6876 1 888 . 1 1 91 91 MET H H 1 8.969 0.02 . 1 . . . . 90 MET H . 6876 1 889 . 1 1 91 91 MET HA H 1 4.648 0.02 . 1 . . . . 90 MET HA . 6876 1 890 . 1 1 91 91 MET HB2 H 1 1.726 0.02 . 2 . . . . 90 MET HB1 . 6876 1 891 . 1 1 91 91 MET HB3 H 1 1.44 0.02 . 2 . . . . 90 MET HB2 . 6876 1 892 . 1 1 91 91 MET HG2 H 1 2.502 0.02 . 2 . . . . 90 MET HG1 . 6876 1 893 . 1 1 91 91 MET HG3 H 1 1.766 0.02 . 2 . . . . 90 MET HG2 . 6876 1 894 . 1 1 91 91 MET HE1 H 1 1.84 0.02 . 1 . . . . 90 MET HE . 6876 1 895 . 1 1 91 91 MET HE2 H 1 1.84 0.02 . 1 . . . . 90 MET HE . 6876 1 896 . 1 1 91 91 MET HE3 H 1 1.84 0.02 . 1 . . . . 90 MET HE . 6876 1 897 . 1 1 91 91 MET CA C 13 54.907 0.1 . 1 . . . . 90 MET CA . 6876 1 898 . 1 1 91 91 MET CB C 13 35.138 0.1 . 1 . . . . 90 MET CB . 6876 1 899 . 1 1 91 91 MET CG C 13 30.881 0.1 . 1 . . . . 90 MET CG . 6876 1 900 . 1 1 91 91 MET CE C 13 18.492 0.1 . 1 . . . . 90 MET CE . 6876 1 901 . 1 1 91 91 MET N N 15 122.358 0.05 . 1 . . . . 90 MET N . 6876 1 902 . 1 1 92 92 ARG H H 1 7.633 0.02 . 1 . . . . 91 ARG H . 6876 1 903 . 1 1 92 92 ARG HA H 1 4.333 0.02 . 1 . . . . 91 ARG HA . 6876 1 904 . 1 1 92 92 ARG HB2 H 1 0.76 0.02 . 2 . . . . 91 ARG HB1 . 6876 1 905 . 1 1 92 92 ARG HB3 H 1 0.036 0.02 . 2 . . . . 91 ARG HB2 . 6876 1 906 . 1 1 92 92 ARG HG2 H 1 0.349 0.02 . 2 . . . . 91 ARG HG1 . 6876 1 907 . 1 1 92 92 ARG HG3 H 1 -0.126 0.02 . 2 . . . . 91 ARG HG2 . 6876 1 908 . 1 1 92 92 ARG HD2 H 1 2.603 0.02 . 2 . . . . 91 ARG HD1 . 6876 1 909 . 1 1 92 92 ARG HE H 1 6.43 0.02 . 1 . . . . 91 ARG HE . 6876 1 910 . 1 1 92 92 ARG CA C 13 52.069 0.1 . 1 . . . . 91 ARG CA . 6876 1 911 . 1 1 92 92 ARG CB C 13 28.493 0.1 . 1 . . . . 91 ARG CB . 6876 1 912 . 1 1 92 92 ARG CG C 13 25.358 0.1 . 1 . . . . 91 ARG CG . 6876 1 913 . 1 1 92 92 ARG N N 15 120.137 0.05 . 1 . . . . 91 ARG N . 6876 1 914 . 1 1 92 92 ARG NE N 15 85.08 0.05 . 1 . . . . 91 ARG NE . 6876 1 915 . 1 1 93 93 PRO HA H 1 3.574 0.02 . 1 . . . . 92 PRO HA . 6876 1 916 . 1 1 93 93 PRO HB2 H 1 1.683 0.02 . 2 . . . . 92 PRO HB1 . 6876 1 917 . 1 1 93 93 PRO HB3 H 1 1.362 0.02 . 2 . . . . 92 PRO HB2 . 6876 1 918 . 1 1 93 93 PRO HG2 H 1 1.825 0.02 . 2 . . . . 92 PRO HG1 . 6876 1 919 . 1 1 93 93 PRO HG3 H 1 1.614 0.02 . 2 . . . . 92 PRO HG2 . 6876 1 920 . 1 1 93 93 PRO HD2 H 1 3.536 0.02 . 2 . . . . 92 PRO HD1 . 6876 1 921 . 1 1 93 93 PRO CA C 13 64.844 0.1 . 1 . . . . 92 PRO CA . 6876 1 922 . 1 1 93 93 PRO CB C 13 30.921 0.1 . 1 . . . . 92 PRO CB . 6876 1 923 . 1 1 93 93 PRO CG C 13 27.115 0.1 . 1 . . . . 92 PRO CG . 6876 1 924 . 1 1 93 93 PRO CD C 13 50.099 0.1 . 1 . . . . 92 PRO CD . 6876 1 925 . 1 1 94 94 TRP H H 1 6.89 0.02 . 1 . . . . 93 TRP H . 6876 1 926 . 1 1 94 94 TRP HA H 1 4.543 0.02 . 1 . . . . 93 TRP HA . 6876 1 927 . 1 1 94 94 TRP HB2 H 1 3.319 0.02 . 2 . . . . 93 TRP HB1 . 6876 1 928 . 1 1 94 94 TRP HB3 H 1 3.229 0.02 . 2 . . . . 93 TRP HB2 . 6876 1 929 . 1 1 94 94 TRP HD1 H 1 7.107 0.02 . 1 . . . . 93 TRP HD1 . 6876 1 930 . 1 1 94 94 TRP HE1 H 1 10.255 0.02 . 1 . . . . 93 TRP HE1 . 6876 1 931 . 1 1 94 94 TRP HE3 H 1 7.564 0.02 . 1 . . . . 93 TRP HE3 . 6876 1 932 . 1 1 94 94 TRP HZ2 H 1 7.394 0.02 . 1 . . . . 93 TRP HZ2 . 6876 1 933 . 1 1 94 94 TRP HZ3 H 1 7.172 0.02 . 1 . . . . 93 TRP HZ3 . 6876 1 934 . 1 1 94 94 TRP HH2 H 1 7.191 0.02 . 1 . . . . 93 TRP HH2 . 6876 1 935 . 1 1 94 94 TRP CA C 13 58.247 0.1 . 1 . . . . 93 TRP CA . 6876 1 936 . 1 1 94 94 TRP CB C 13 27.622 0.1 . 1 . . . . 93 TRP CB . 6876 1 937 . 1 1 94 94 TRP CD1 C 13 127.83 0.1 . 1 . . . . 93 TRP CD1 . 6876 1 938 . 1 1 94 94 TRP CE3 C 13 119.853 0.1 . 1 . . . . 93 TRP CE3 . 6876 1 939 . 1 1 94 94 TRP CZ2 C 13 114.658 0.1 . 1 . . . . 93 TRP CZ2 . 6876 1 940 . 1 1 94 94 TRP CZ3 C 13 122.683 0.1 . 1 . . . . 93 TRP CZ3 . 6876 1 941 . 1 1 94 94 TRP CH2 C 13 125.094 0.1 . 1 . . . . 93 TRP CH2 . 6876 1 942 . 1 1 94 94 TRP N N 15 113.035 0.05 . 1 . . . . 93 TRP N . 6876 1 943 . 1 1 94 94 TRP NE1 N 15 130.787 0.05 . 1 . . . . 93 TRP NE1 . 6876 1 944 . 1 1 95 95 THR H H 1 6.747 0.02 . 1 . . . . 94 THR H . 6876 1 945 . 1 1 95 95 THR HA H 1 4.292 0.02 . 1 . . . . 94 THR HA . 6876 1 946 . 1 1 95 95 THR HB H 1 3.977 0.02 . 1 . . . . 94 THR HB . 6876 1 947 . 1 1 95 95 THR HG21 H 1 0.836 0.02 . 1 . . . . 94 THR HG2 . 6876 1 948 . 1 1 95 95 THR HG22 H 1 0.836 0.02 . 1 . . . . 94 THR HG2 . 6876 1 949 . 1 1 95 95 THR HG23 H 1 0.836 0.02 . 1 . . . . 94 THR HG2 . 6876 1 950 . 1 1 95 95 THR CA C 13 62.261 0.1 . 1 . . . . 94 THR CA . 6876 1 951 . 1 1 95 95 THR CB C 13 69.71 0.1 . 1 . . . . 94 THR CB . 6876 1 952 . 1 1 95 95 THR CG2 C 13 21.012 0.1 . 1 . . . . 94 THR CG2 . 6876 1 953 . 1 1 95 95 THR N N 15 111.686 0.05 . 1 . . . . 94 THR N . 6876 1 954 . 1 1 96 96 GLY H H 1 7.588 0.02 . 1 . . . . 95 GLY H . 6876 1 955 . 1 1 96 96 GLY HA2 H 1 4.209 0.02 . 2 . . . . 95 GLY HA1 . 6876 1 956 . 1 1 96 96 GLY HA3 H 1 3.776 0.02 . 2 . . . . 95 GLY HA2 . 6876 1 957 . 1 1 96 96 GLY CA C 13 44.795 0.1 . 1 . . . . 95 GLY CA . 6876 1 958 . 1 1 96 96 GLY N N 15 109.481 0.05 . 1 . . . . 95 GLY N . 6876 1 959 . 1 1 97 97 PRO HA H 1 4.306 0.02 . 1 . . . . 96 PRO HA . 6876 1 960 . 1 1 97 97 PRO HB2 H 1 2.139 0.02 . 2 . . . . 96 PRO HB1 . 6876 1 961 . 1 1 97 97 PRO HB3 H 1 1.914 0.02 . 2 . . . . 96 PRO HB2 . 6876 1 962 . 1 1 97 97 PRO HG2 H 1 1.974 0.02 . 2 . . . . 96 PRO HG1 . 6876 1 963 . 1 1 97 97 PRO HD2 H 1 3.55 0.02 . 2 . . . . 96 PRO HD1 . 6876 1 964 . 1 1 97 97 PRO CA C 13 63.178 0.1 . 1 . . . . 96 PRO CA . 6876 1 965 . 1 1 97 97 PRO CB C 13 32.509 0.1 . 1 . . . . 96 PRO CB . 6876 1 966 . 1 1 97 97 PRO CG C 13 27.31 0.1 . 1 . . . . 96 PRO CG . 6876 1 967 . 1 1 97 97 PRO CD C 13 49.73 0.1 . 1 . . . . 96 PRO CD . 6876 1 968 . 1 1 98 98 SER H H 1 8.815 0.02 . 1 . . . . 97 SER H . 6876 1 969 . 1 1 98 98 SER HA H 1 4.764 0.02 . 1 . . . . 97 SER HA . 6876 1 970 . 1 1 98 98 SER HB2 H 1 3.991 0.02 . 2 . . . . 97 SER HB1 . 6876 1 971 . 1 1 98 98 SER HB3 H 1 3.814 0.02 . 2 . . . . 97 SER HB2 . 6876 1 972 . 1 1 98 98 SER CA C 13 56.687 0.1 . 1 . . . . 97 SER CA . 6876 1 973 . 1 1 98 98 SER CB C 13 65.236 0.1 . 1 . . . . 97 SER CB . 6876 1 974 . 1 1 98 98 SER N N 15 116.424 0.05 . 1 . . . . 97 SER N . 6876 1 975 . 1 1 99 99 HIS HA H 1 4.387 0.02 . 1 . . . . 98 HIS HA . 6876 1 976 . 1 1 99 99 HIS HB2 H 1 3.21 0.02 . 2 . . . . 98 HIS HB1 . 6876 1 977 . 1 1 99 99 HIS HB3 H 1 3.153 0.02 . 2 . . . . 98 HIS HB2 . 6876 1 978 . 1 1 99 99 HIS HE1 H 1 8.019 0.02 . 1 . . . . 98 HIS HE1 . 6876 1 979 . 1 1 99 99 HIS CA C 13 58.568 0.1 . 1 . . . . 98 HIS CA . 6876 1 980 . 1 1 99 99 HIS CB C 13 28.848 0.1 . 1 . . . . 98 HIS CB . 6876 1 981 . 1 1 99 99 HIS CE1 C 13 137.9 0.1 . 1 . . . . 98 HIS CE1 . 6876 1 982 . 1 1 100 100 ASP H H 1 8.136 0.02 . 1 . . . . 99 ASP H . 6876 1 983 . 1 1 100 100 ASP HA H 1 4.587 0.02 . 1 . . . . 99 ASP HA . 6876 1 984 . 1 1 100 100 ASP HB2 H 1 2.638 0.02 . 2 . . . . 99 ASP HB1 . 6876 1 985 . 1 1 100 100 ASP HB3 H 1 2.515 0.02 . 2 . . . . 99 ASP HB2 . 6876 1 986 . 1 1 100 100 ASP CA C 13 53.066 0.1 . 1 . . . . 99 ASP CA . 6876 1 987 . 1 1 100 100 ASP CB C 13 40.123 0.1 . 1 . . . . 99 ASP CB . 6876 1 988 . 1 1 100 100 ASP N N 15 115.652 0.05 . 1 . . . . 99 ASP N . 6876 1 989 . 1 1 101 101 SER H H 1 7.543 0.02 . 1 . . . . 100 SER H . 6876 1 990 . 1 1 101 101 SER HA H 1 4.492 0.02 . 1 . . . . 100 SER HA . 6876 1 991 . 1 1 101 101 SER HB2 H 1 3.983 0.02 . 2 . . . . 100 SER HB1 . 6876 1 992 . 1 1 101 101 SER HB3 H 1 3.712 0.02 . 2 . . . . 100 SER HB2 . 6876 1 993 . 1 1 101 101 SER CA C 13 60.341 0.1 . 1 . . . . 100 SER CA . 6876 1 994 . 1 1 101 101 SER CB C 13 64.419 0.1 . 1 . . . . 100 SER CB . 6876 1 995 . 1 1 101 101 SER N N 15 117.309 0.05 . 1 . . . . 100 SER N . 6876 1 996 . 1 1 102 102 GLU H H 1 8.701 0.02 . 1 . . . . 101 GLU H . 6876 1 997 . 1 1 102 102 GLU HA H 1 4.302 0.02 . 1 . . . . 101 GLU HA . 6876 1 998 . 1 1 102 102 GLU HB2 H 1 1.951 0.02 . 2 . . . . 101 GLU HB1 . 6876 1 999 . 1 1 102 102 GLU HG2 H 1 2.319 0.02 . 2 . . . . 101 GLU HG1 . 6876 1 1000 . 1 1 102 102 GLU CA C 13 56.898 0.1 . 1 . . . . 101 GLU CA . 6876 1 1001 . 1 1 102 102 GLU CB C 13 30.731 0.1 . 1 . . . . 101 GLU CB . 6876 1 1002 . 1 1 102 102 GLU CG C 13 36.469 0.1 . 1 . . . . 101 GLU CG . 6876 1 1003 . 1 1 102 102 GLU N N 15 125.156 0.05 . 1 . . . . 101 GLU N . 6876 1 1004 . 1 1 103 103 ARG H H 1 8.499 0.02 . 1 . . . . 102 ARG H . 6876 1 1005 . 1 1 103 103 ARG HA H 1 5.343 0.02 . 1 . . . . 102 ARG HA . 6876 1 1006 . 1 1 103 103 ARG HB2 H 1 1.982 0.02 . 2 . . . . 102 ARG HB1 . 6876 1 1007 . 1 1 103 103 ARG HB3 H 1 1.669 0.02 . 2 . . . . 102 ARG HB2 . 6876 1 1008 . 1 1 103 103 ARG HG2 H 1 1.7 0.02 . 2 . . . . 102 ARG HG1 . 6876 1 1009 . 1 1 103 103 ARG HD2 H 1 3.148 0.02 . 2 . . . . 102 ARG HD1 . 6876 1 1010 . 1 1 103 103 ARG HE H 1 7.164 0.02 . 1 . . . . 102 ARG HE . 6876 1 1011 . 1 1 103 103 ARG CA C 13 54.94 0.1 . 1 . . . . 102 ARG CA . 6876 1 1012 . 1 1 103 103 ARG CB C 13 34.097 0.1 . 1 . . . . 102 ARG CB . 6876 1 1013 . 1 1 103 103 ARG CG C 13 28.398 0.1 . 1 . . . . 102 ARG CG . 6876 1 1014 . 1 1 103 103 ARG CD C 13 43.273 0.1 . 1 . . . . 102 ARG CD . 6876 1 1015 . 1 1 103 103 ARG N N 15 122.934 0.05 . 1 . . . . 102 ARG N . 6876 1 1016 . 1 1 103 103 ARG NE N 15 86.03 0.05 . 1 . . . . 102 ARG NE . 6876 1 1017 . 1 1 104 104 PHE H H 1 9.212 0.02 . 1 . . . . 103 PHE H . 6876 1 1018 . 1 1 104 104 PHE HA H 1 4.677 0.02 . 1 . . . . 103 PHE HA . 6876 1 1019 . 1 1 104 104 PHE HB2 H 1 2.588 0.02 . 2 . . . . 103 PHE HB1 . 6876 1 1020 . 1 1 104 104 PHE HB3 H 1 2.252 0.02 . 2 . . . . 103 PHE HB2 . 6876 1 1021 . 1 1 104 104 PHE HD1 H 1 6.689 0.02 . 3 . . . . 103 PHE HD1 . 6876 1 1022 . 1 1 104 104 PHE HE1 H 1 6.917 0.02 . 3 . . . . 103 PHE HE1 . 6876 1 1023 . 1 1 104 104 PHE CA C 13 57.567 0.1 . 1 . . . . 103 PHE CA . 6876 1 1024 . 1 1 104 104 PHE CB C 13 43.423 0.1 . 1 . . . . 103 PHE CB . 6876 1 1025 . 1 1 104 104 PHE N N 15 123.691 0.05 . 1 . . . . 103 PHE N . 6876 1 1026 . 1 1 105 105 THR H H 1 7.556 0.02 . 1 . . . . 104 THR H . 6876 1 1027 . 1 1 105 105 THR HA H 1 5.316 0.02 . 1 . . . . 104 THR HA . 6876 1 1028 . 1 1 105 105 THR HB H 1 3.277 0.02 . 1 . . . . 104 THR HB . 6876 1 1029 . 1 1 105 105 THR HG21 H 1 0.429 0.02 . 1 . . . . 104 THR HG2 . 6876 1 1030 . 1 1 105 105 THR HG22 H 1 0.429 0.02 . 1 . . . . 104 THR HG2 . 6876 1 1031 . 1 1 105 105 THR HG23 H 1 0.429 0.02 . 1 . . . . 104 THR HG2 . 6876 1 1032 . 1 1 105 105 THR CA C 13 60.448 0.1 . 1 . . . . 104 THR CA . 6876 1 1033 . 1 1 105 105 THR CB C 13 73.117 0.1 . 1 . . . . 104 THR CB . 6876 1 1034 . 1 1 105 105 THR CG2 C 13 20.736 0.1 . 1 . . . . 104 THR CG2 . 6876 1 1035 . 1 1 105 105 THR N N 15 124.558 0.05 . 1 . . . . 104 THR N . 6876 1 1036 . 1 1 106 106 VAL H H 1 7.817 0.02 . 1 . . . . 105 VAL H . 6876 1 1037 . 1 1 106 106 VAL HA H 1 4.309 0.02 . 1 . . . . 105 VAL HA . 6876 1 1038 . 1 1 106 106 VAL HB H 1 1.785 0.02 . 1 . . . . 105 VAL HB . 6876 1 1039 . 1 1 106 106 VAL HG11 H 1 0.791 0.02 . 2 . . . . 105 VAL HG1 . 6876 1 1040 . 1 1 106 106 VAL HG12 H 1 0.791 0.02 . 2 . . . . 105 VAL HG1 . 6876 1 1041 . 1 1 106 106 VAL HG13 H 1 0.791 0.02 . 2 . . . . 105 VAL HG1 . 6876 1 1042 . 1 1 106 106 VAL HG21 H 1 0.696 0.02 . 2 . . . . 105 VAL HG2 . 6876 1 1043 . 1 1 106 106 VAL HG22 H 1 0.696 0.02 . 2 . . . . 105 VAL HG2 . 6876 1 1044 . 1 1 106 106 VAL HG23 H 1 0.696 0.02 . 2 . . . . 105 VAL HG2 . 6876 1 1045 . 1 1 106 106 VAL CA C 13 59.763 0.1 . 1 . . . . 105 VAL CA . 6876 1 1046 . 1 1 106 106 VAL CB C 13 34.881 0.1 . 1 . . . . 105 VAL CB . 6876 1 1047 . 1 1 106 106 VAL CG1 C 13 20.486 0.1 . 2 . . . . 105 VAL CG1 . 6876 1 1048 . 1 1 106 106 VAL CG2 C 13 20.353 0.1 . 2 . . . . 105 VAL CG2 . 6876 1 1049 . 1 1 106 106 VAL N N 15 120.798 0.05 . 1 . . . . 105 VAL N . 6876 1 1050 . 1 1 107 107 TYR H H 1 8.651 0.02 . 1 . . . . 106 TYR H . 6876 1 1051 . 1 1 107 107 TYR HA H 1 5.078 0.02 . 1 . . . . 106 TYR HA . 6876 1 1052 . 1 1 107 107 TYR HB2 H 1 3.139 0.02 . 2 . . . . 106 TYR HB1 . 6876 1 1053 . 1 1 107 107 TYR HB3 H 1 2.383 0.02 . 2 . . . . 106 TYR HB2 . 6876 1 1054 . 1 1 107 107 TYR HD1 H 1 6.694 0.02 . 3 . . . . 106 TYR HD1 . 6876 1 1055 . 1 1 107 107 TYR HE1 H 1 6.571 0.02 . 3 . . . . 106 TYR HE1 . 6876 1 1056 . 1 1 107 107 TYR CA C 13 56.147 0.1 . 1 . . . . 106 TYR CA . 6876 1 1057 . 1 1 107 107 TYR CB C 13 39.072 0.1 . 1 . . . . 106 TYR CB . 6876 1 1058 . 1 1 107 107 TYR CD1 C 13 132.942 0.1 . 3 . . . . 106 TYR CD1 . 6876 1 1059 . 1 1 107 107 TYR CE1 C 13 117.649 0.1 . 3 . . . . 106 TYR CE1 . 6876 1 1060 . 1 1 107 107 TYR N N 15 123.467 0.05 . 1 . . . . 106 TYR N . 6876 1 1061 . 1 1 108 108 LEU H H 1 9.182 0.02 . 1 . . . . 107 LEU H . 6876 1 1062 . 1 1 108 108 LEU HA H 1 4.951 0.02 . 1 . . . . 107 LEU HA . 6876 1 1063 . 1 1 108 108 LEU HB2 H 1 1.918 0.02 . 2 . . . . 107 LEU HB1 . 6876 1 1064 . 1 1 108 108 LEU HB3 H 1 1.017 0.02 . 2 . . . . 107 LEU HB2 . 6876 1 1065 . 1 1 108 108 LEU CA C 13 52.274 0.1 . 1 . . . . 107 LEU CA . 6876 1 1066 . 1 1 108 108 LEU CB C 13 41.951 0.1 . 1 . . . . 107 LEU CB . 6876 1 1067 . 1 1 108 108 LEU N N 15 122.911 0.05 . 1 . . . . 107 LEU N . 6876 1 1068 . 1 1 109 109 LYS H H 1 9.146 0.02 . 1 . . . . 108 LYS H . 6876 1 1069 . 1 1 109 109 LYS HA H 1 4.784 0.02 . 1 . . . . 108 LYS HA . 6876 1 1070 . 1 1 109 109 LYS HB2 H 1 1.771 0.02 . 2 . . . . 108 LYS HB1 . 6876 1 1071 . 1 1 109 109 LYS HB3 H 1 1.274 0.02 . 2 . . . . 108 LYS HB2 . 6876 1 1072 . 1 1 109 109 LYS HG2 H 1 1.247 0.02 . 2 . . . . 108 LYS HG1 . 6876 1 1073 . 1 1 109 109 LYS HD2 H 1 1.475 0.02 . 2 . . . . 108 LYS HD1 . 6876 1 1074 . 1 1 109 109 LYS CA C 13 55.378 0.1 . 1 . . . . 108 LYS CA . 6876 1 1075 . 1 1 109 109 LYS CB C 13 33.28 0.1 . 1 . . . . 108 LYS CB . 6876 1 1076 . 1 1 109 109 LYS CG C 13 24.717 0.1 . 1 . . . . 108 LYS CG . 6876 1 1077 . 1 1 109 109 LYS CD C 13 29.161 0.1 . 1 . . . . 108 LYS CD . 6876 1 1078 . 1 1 109 109 LYS N N 15 127.605 0.05 . 1 . . . . 108 LYS N . 6876 1 1079 . 1 1 110 110 ALA H H 1 9.069 0.02 . 1 . . . . 109 ALA H . 6876 1 1080 . 1 1 110 110 ALA HA H 1 5.514 0.02 . 1 . . . . 109 ALA HA . 6876 1 1081 . 1 1 110 110 ALA HB1 H 1 1.311 0.02 . 1 . . . . 109 ALA HB . 6876 1 1082 . 1 1 110 110 ALA HB2 H 1 1.311 0.02 . 1 . . . . 109 ALA HB . 6876 1 1083 . 1 1 110 110 ALA HB3 H 1 1.311 0.02 . 1 . . . . 109 ALA HB . 6876 1 1084 . 1 1 110 110 ALA CA C 13 50.048 0.1 . 1 . . . . 109 ALA CA . 6876 1 1085 . 1 1 110 110 ALA CB C 13 22.896 0.1 . 1 . . . . 109 ALA CB . 6876 1 1086 . 1 1 110 110 ALA N N 15 130.739 0.05 . 1 . . . . 109 ALA N . 6876 1 1087 . 1 1 111 111 ASN H H 1 8.127 0.02 . 1 . . . . 110 ASN H . 6876 1 1088 . 1 1 111 111 ASN HA H 1 4.535 0.02 . 1 . . . . 110 ASN HA . 6876 1 1089 . 1 1 111 111 ASN HB2 H 1 2.698 0.02 . 2 . . . . 110 ASN HB1 . 6876 1 1090 . 1 1 111 111 ASN HB3 H 1 2.625 0.02 . 2 . . . . 110 ASN HB2 . 6876 1 1091 . 1 1 111 111 ASN HD21 H 1 7.517 0.02 . 2 . . . . 110 ASN HD21 . 6876 1 1092 . 1 1 111 111 ASN HD22 H 1 6.673 0.02 . 2 . . . . 110 ASN HD22 . 6876 1 1093 . 1 1 111 111 ASN CA C 13 54.844 0.1 . 1 . . . . 110 ASN CA . 6876 1 1094 . 1 1 111 111 ASN CB C 13 41.316 0.1 . 1 . . . . 110 ASN CB . 6876 1 1095 . 1 1 111 111 ASN N N 15 126.684 0.05 . 1 . . . . 110 ASN N . 6876 1 1096 . 1 1 111 111 ASN ND2 N 15 112.574 0.05 . 1 . . . . 110 ASN ND2 . 6876 1 stop_ save_