data_6794 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6794 _Entry.Title ; L.mexicana ICP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-29 _Entry.Accession_date 2005-08-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Assignments for L.mexicana ICP' _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 Brian Smith . O. . 6794 2 Gareth Westrop . D. . 6794 3 Jeremy Mottram . C. . 6794 4 Graham Coombs . H. . 6794 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Glasgow' . 6794 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6794 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-07 2005-08-29 update BMRB 'complete entry citation' 6794 1 . . 2006-04-11 2005-08-29 original author 'original release' 6794 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2C34 'BMRB Entry Tracking System' 6794 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6794 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16596344 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments of leishmania mexicana ICP, a novel cysteine peptidase inhibitor.' _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 7 _Citation.Page_last 7 _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 Brian Smith . O. . 6794 1 2 Gareth Westrop . D. . 6794 1 3 Jeremy Mottram . C. . 6794 1 4 Graham Coombs . H. . 6794 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chagasin 6794 1 'cysteine pepidase inhibitor' 6794 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 6794 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Functional conservation of a natural cystein peptidase inhibitor in protozoan and bacterial pathogens.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 542 _Citation.Journal_issue . _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 12 _Citation.Page_last 16 _Citation.Year 2003 _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 S Sanderson . J . 6794 2 2 Gareth Westrop . D . 6794 2 3 J Scharfstein . . . 6794 2 4 Jeremy Mottram . C . 6794 2 5 Graham Coombs . H . 6794 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6794 _Assembly.ID 1 _Assembly.Name LM_ICP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6794 1 stop_ 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 LM_ICP2 1 $LM_ICP6to113 . . yes native yes no 1 . 'minor conformations of suspected cis-trans proline isomerisation also seen but not assigned' 6794 1 2 LM_ICP1 2 $LM_ICP-2to5 . . yes native no no 2 . . 6794 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID MER28901 MEROPS 6794 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'No interaction' 6794 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cysteine peptidase inhibitor' 6794 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LM_ICP6to113 _Entity.Sf_category entity _Entity.Sf_framecode LM_ICP6to113 _Entity.Entry_ID 6794 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LM ICP residues 6 to 113' _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 ; SVKDNDKWVDTHVGKTTEIH LKGNPTTGYMWTRVGFVGKD VLSDEILEVVCKYTPTPSST PMVGVGGIYVVLVKPRKRGH HTLELVYTRPFEGIKPENER YTLHLNVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '6 S' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2C34 . "Leishmania Mexicana Icp" . . . . . 100.00 116 100.00 100.00 1.14e-55 . . . . 6794 1 no EMBL CAD68975 . "inhibitor of cysteine peptidases [Leishmania mexicana]" . . . . . 100.00 113 100.00 100.00 9.98e-56 . . . . 6794 1 no EMBL CBZ27508 . "inhibitor of cysteine peptidase [Leishmania mexicana MHOM/GT/2001/U1103]" . . . . . 100.00 113 100.00 100.00 9.98e-56 . . . . 6794 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 . SER . 6794 1 2 . VAL . 6794 1 3 . LYS . 6794 1 4 . ASP . 6794 1 5 . ASN . 6794 1 6 . ASP . 6794 1 7 . LYS . 6794 1 8 . TRP . 6794 1 9 . VAL . 6794 1 10 . ASP . 6794 1 11 . THR . 6794 1 12 . HIS . 6794 1 13 . VAL . 6794 1 14 . GLY . 6794 1 15 . LYS . 6794 1 16 . THR . 6794 1 17 . THR . 6794 1 18 . GLU . 6794 1 19 . ILE . 6794 1 20 . HIS . 6794 1 21 . LEU . 6794 1 22 . LYS . 6794 1 23 . GLY . 6794 1 24 . ASN . 6794 1 25 . PRO . 6794 1 26 . THR . 6794 1 27 . THR . 6794 1 28 . GLY . 6794 1 29 . TYR . 6794 1 30 . MET . 6794 1 31 . TRP . 6794 1 32 . THR . 6794 1 33 . ARG . 6794 1 34 . VAL . 6794 1 35 . GLY . 6794 1 36 . PHE . 6794 1 37 . VAL . 6794 1 38 . GLY . 6794 1 39 . LYS . 6794 1 40 . ASP . 6794 1 41 . VAL . 6794 1 42 . LEU . 6794 1 43 . SER . 6794 1 44 . ASP . 6794 1 45 . GLU . 6794 1 46 . ILE . 6794 1 47 . LEU . 6794 1 48 . GLU . 6794 1 49 . VAL . 6794 1 50 . VAL . 6794 1 51 . CYS . 6794 1 52 . LYS . 6794 1 53 . TYR . 6794 1 54 . THR . 6794 1 55 . PRO . 6794 1 56 . THR . 6794 1 57 . PRO . 6794 1 58 . SER . 6794 1 59 . SER . 6794 1 60 . THR . 6794 1 61 . PRO . 6794 1 62 . MET . 6794 1 63 . VAL . 6794 1 64 . GLY . 6794 1 65 . VAL . 6794 1 66 . GLY . 6794 1 67 . GLY . 6794 1 68 . ILE . 6794 1 69 . TYR . 6794 1 70 . VAL . 6794 1 71 . VAL . 6794 1 72 . LEU . 6794 1 73 . VAL . 6794 1 74 . LYS . 6794 1 75 . PRO . 6794 1 76 . ARG . 6794 1 77 . LYS . 6794 1 78 . ARG . 6794 1 79 . GLY . 6794 1 80 . HIS . 6794 1 81 . HIS . 6794 1 82 . THR . 6794 1 83 . LEU . 6794 1 84 . GLU . 6794 1 85 . LEU . 6794 1 86 . VAL . 6794 1 87 . TYR . 6794 1 88 . THR . 6794 1 89 . ARG . 6794 1 90 . PRO . 6794 1 91 . PHE . 6794 1 92 . GLU . 6794 1 93 . GLY . 6794 1 94 . ILE . 6794 1 95 . LYS . 6794 1 96 . PRO . 6794 1 97 . GLU . 6794 1 98 . ASN . 6794 1 99 . GLU . 6794 1 100 . ARG . 6794 1 101 . TYR . 6794 1 102 . THR . 6794 1 103 . LEU . 6794 1 104 . HIS . 6794 1 105 . LEU . 6794 1 106 . ASN . 6794 1 107 . VAL . 6794 1 108 . LYS . 6794 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 . SER 1 1 6794 1 . VAL 2 2 6794 1 . LYS 3 3 6794 1 . ASP 4 4 6794 1 . ASN 5 5 6794 1 . ASP 6 6 6794 1 . LYS 7 7 6794 1 . TRP 8 8 6794 1 . VAL 9 9 6794 1 . ASP 10 10 6794 1 . THR 11 11 6794 1 . HIS 12 12 6794 1 . VAL 13 13 6794 1 . GLY 14 14 6794 1 . LYS 15 15 6794 1 . THR 16 16 6794 1 . THR 17 17 6794 1 . GLU 18 18 6794 1 . ILE 19 19 6794 1 . HIS 20 20 6794 1 . LEU 21 21 6794 1 . LYS 22 22 6794 1 . GLY 23 23 6794 1 . ASN 24 24 6794 1 . PRO 25 25 6794 1 . THR 26 26 6794 1 . THR 27 27 6794 1 . GLY 28 28 6794 1 . TYR 29 29 6794 1 . MET 30 30 6794 1 . TRP 31 31 6794 1 . THR 32 32 6794 1 . ARG 33 33 6794 1 . VAL 34 34 6794 1 . GLY 35 35 6794 1 . PHE 36 36 6794 1 . VAL 37 37 6794 1 . GLY 38 38 6794 1 . LYS 39 39 6794 1 . ASP 40 40 6794 1 . VAL 41 41 6794 1 . LEU 42 42 6794 1 . SER 43 43 6794 1 . ASP 44 44 6794 1 . GLU 45 45 6794 1 . ILE 46 46 6794 1 . LEU 47 47 6794 1 . GLU 48 48 6794 1 . VAL 49 49 6794 1 . VAL 50 50 6794 1 . CYS 51 51 6794 1 . LYS 52 52 6794 1 . TYR 53 53 6794 1 . THR 54 54 6794 1 . PRO 55 55 6794 1 . THR 56 56 6794 1 . PRO 57 57 6794 1 . SER 58 58 6794 1 . SER 59 59 6794 1 . THR 60 60 6794 1 . PRO 61 61 6794 1 . MET 62 62 6794 1 . VAL 63 63 6794 1 . GLY 64 64 6794 1 . VAL 65 65 6794 1 . GLY 66 66 6794 1 . GLY 67 67 6794 1 . ILE 68 68 6794 1 . TYR 69 69 6794 1 . VAL 70 70 6794 1 . VAL 71 71 6794 1 . LEU 72 72 6794 1 . VAL 73 73 6794 1 . LYS 74 74 6794 1 . PRO 75 75 6794 1 . ARG 76 76 6794 1 . LYS 77 77 6794 1 . ARG 78 78 6794 1 . GLY 79 79 6794 1 . HIS 80 80 6794 1 . HIS 81 81 6794 1 . THR 82 82 6794 1 . LEU 83 83 6794 1 . GLU 84 84 6794 1 . LEU 85 85 6794 1 . VAL 86 86 6794 1 . TYR 87 87 6794 1 . THR 88 88 6794 1 . ARG 89 89 6794 1 . PRO 90 90 6794 1 . PHE 91 91 6794 1 . GLU 92 92 6794 1 . GLY 93 93 6794 1 . ILE 94 94 6794 1 . LYS 95 95 6794 1 . PRO 96 96 6794 1 . GLU 97 97 6794 1 . ASN 98 98 6794 1 . GLU 99 99 6794 1 . ARG 100 100 6794 1 . TYR 101 101 6794 1 . THR 102 102 6794 1 . LEU 103 103 6794 1 . HIS 104 104 6794 1 . LEU 105 105 6794 1 . ASN 106 106 6794 1 . VAL 107 107 6794 1 . LYS 108 108 6794 1 stop_ save_ save_LM_ICP-2to5 _Entity.Sf_category entity _Entity.Sf_framecode LM_ICP-2to5 _Entity.Entry_ID 6794 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'LM ICP residues -2 to 5' _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 GSHMIAPL _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . GLY . 6794 2 2 . SER . 6794 2 3 . HIS . 6794 2 4 . MET . 6794 2 5 . ILE . 6794 2 6 . ALA . 6794 2 7 . PRO . 6794 2 8 . LEU . 6794 2 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 6794 2 . SER 2 2 6794 2 . HIS 3 3 6794 2 . MET 4 4 6794 2 . ILE 5 5 6794 2 . ALA 6 6 6794 2 . PRO 7 7 6794 2 . LEU 8 8 6794 2 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 6794 _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 $LM_ICP6to113 . 5665 . no . 'Leishmania mexicana' . . Eukaryota . Leishmania mexicana . . . . . . . . . . . . . . . . . . . . . 6794 1 2 2 $LM_ICP-2to5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 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 6794 _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 $LM_ICP6to113 . 'recombinant technology' . . . . Esherishia coli BL21 (DE3)pLysS . . . . . . . . . . . pET . . . . Novagen . . . . 6794 1 2 2 $LM_ICP-2to5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6794 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LM_ICP2 '[U-1H; U-15N; U-13C]' . . 1 $LM_ICP6to113 . protein 1.25 . . mM . . . . 6794 1 2 H2O . . . . . . solvent . . . . . . . . 6794 1 2 LM_ICP1 . . . 2 $LM_ICP-2to5 . protein . . . mM . . . . 6794 1 3 D2O . . . . . . solvent 10 . . % . . . . 6794 1 4 'Sodium phosphate' . . . . . . buffer 25 . . mM . . . . 6794 1 5 'Sodium chloride' . . . . . . salt 50 . . mM . . . . 6794 1 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 6794 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 5 mM 6794 1 pH 4.5 0.25 pH 6794 1 temperature 294.8 0.5 K 6794 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6794 _Software.ID 1 _Software.Name ANSIG _Software.Version 3.3 _Software.Details 'Linux/OpenGL port 1.0.5 used' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www-ccmr-nmr.bioc.cam.ac.uk/public/ANSIG/ansig.html 6794 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6794 1 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 6794 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www.ccpn.ac.uk 6794 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6794 2 stop_ save_ save_CCPN_formatConverter _Software.Sf_category software _Software.Sf_framecode CCPN_formatConverter _Software.Entry_ID 6794 _Software.ID 3 _Software.Name 'CCPN formatConverter' _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www.ccpn.ac.uk 6794 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID conversion 6794 3 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6794 _Software.ID 4 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www.bio.cam.ac.uk/azara 6794 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6794 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_ava600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode ava600 _NMR_spectrometer.Entry_ID 6794 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ava600 _NMR_spectrometer.Manufacturer Bruker/Oxford _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_ava800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode ava800 _NMR_spectrometer.Entry_ID 6794 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6794 _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 CBCACONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 2 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 3 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 4 HNCACO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 5 CCCONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 6 HCCONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 7 HCCH_TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 8 15N_NOESY_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 9 13C_NOESY_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 10 15N_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6794 1 stop_ 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 6794 _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 . . . . . . . . . 6794 1 H 1 water 'methyl protons' . . . . ppm 4.808615 . indirect 1.0 . . . . . . . . . 6794 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6794 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 6794 _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 $sample_1 isotropic 6794 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ANSIG . . 6794 1 2 $CCPN_analysis . . 6794 1 3 $CCPN_formatConverter . . 6794 1 4 $AZARA . . 6794 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 . 2 2 1 1 GLY HA2 H 1 3.879 0.003 . 1 . . . . 1 GLY HA2 . 6794 1 2 . 2 2 1 1 GLY HA3 H 1 3.879 0.003 . 1 . . . . 1 GLY HA3 . 6794 1 3 . 2 2 1 1 GLY C C 13 177.851 0.005 . 1 . . . . 1 GLY C . 6794 1 4 . 2 2 1 1 GLY CA C 13 43.393 0.028 . 1 . . . . 1 GLY CA . 6794 1 5 . 2 2 2 2 SER H H 1 8.671 0.003 . 1 . . . . 2 SER H . 6794 1 6 . 2 2 2 2 SER HA H 1 4.463 0.004 . 1 . . . . 2 SER HA . 6794 1 7 . 2 2 2 2 SER HB2 H 1 3.829 0.003 . 1 . . . . 2 SER HB2 . 6794 1 8 . 2 2 2 2 SER HB3 H 1 3.829 0.003 . 1 . . . . 2 SER HB3 . 6794 1 9 . 2 2 2 2 SER C C 13 173.799 0.000 . 1 . . . . 2 SER C . 6794 1 10 . 2 2 2 2 SER CA C 13 58.386 0.065 . 1 . . . . 2 SER CA . 6794 1 11 . 2 2 2 2 SER CB C 13 64.044 0.045 . 1 . . . . 2 SER CB . 6794 1 12 . 2 2 2 2 SER N N 15 115.595 0.027 . 1 . . . . 2 SER N . 6794 1 13 . 2 2 3 3 HIS H H 1 8.676 0.016 . 1 . . . . 3 HIS H . 6794 1 14 . 2 2 3 3 HIS HA H 1 4.716 0.007 . 1 . . . . 3 HIS HA . 6794 1 15 . 2 2 3 3 HIS HB2 H 1 3.269 0.004 . 2 . . . . 3 HIS HB2 . 6794 1 16 . 2 2 3 3 HIS HB3 H 1 3.146 0.009 . 2 . . . . 3 HIS HB3 . 6794 1 17 . 2 2 3 3 HIS C C 13 173.924 0.006 . 1 . . . . 3 HIS C . 6794 1 18 . 2 2 3 3 HIS CA C 13 55.424 0.038 . 1 . . . . 3 HIS CA . 6794 1 19 . 2 2 3 3 HIS CB C 13 29.158 0.055 . 1 . . . . 3 HIS CB . 6794 1 20 . 2 2 3 3 HIS N N 15 120.705 0.030 . 1 . . . . 3 HIS N . 6794 1 21 . 2 2 4 4 MET H H 1 8.452 0.003 . 1 . . . . 4 MET H . 6794 1 22 . 2 2 4 4 MET HA H 1 4.457 0.003 . 1 . . . . 4 MET HA . 6794 1 23 . 2 2 4 4 MET HB2 H 1 2.080 0.013 . 2 . . . . 4 MET HB2 . 6794 1 24 . 2 2 4 4 MET HB3 H 1 2.054 0.013 . 2 . . . . 4 MET HB3 . 6794 1 25 . 2 2 4 4 MET HG2 H 1 2.536 0.028 . 2 . . . . 4 MET HG2 . 6794 1 26 . 2 2 4 4 MET HG3 H 1 2.546 0.022 . 2 . . . . 4 MET HG3 . 6794 1 27 . 2 2 4 4 MET C C 13 172.317 0.003 . 1 . . . . 4 MET C . 6794 1 28 . 2 2 4 4 MET CA C 13 55.695 0.069 . 1 . . . . 4 MET CA . 6794 1 29 . 2 2 4 4 MET CB C 13 32.994 0.140 . 1 . . . . 4 MET CB . 6794 1 30 . 2 2 4 4 MET CG C 13 31.950 0.121 . 1 . . . . 4 MET CG . 6794 1 31 . 2 2 4 4 MET N N 15 122.543 0.031 . 1 . . . . 4 MET N . 6794 1 32 . 2 2 5 5 ILE H H 1 8.278 0.000 . 1 . . . . 5 ILE H . 6794 1 33 . 2 2 5 5 ILE HA H 1 4.159 0.000 . 1 . . . . 5 ILE HA . 6794 1 34 . 2 2 5 5 ILE HB H 1 1.821 0.004 . 1 . . . . 5 ILE HB . 6794 1 35 . 2 2 5 5 ILE HG12 H 1 1.461 0.008 . 2 . . . . 5 ILE HG12 . 6794 1 36 . 2 2 5 5 ILE HG13 H 1 1.161 0.006 . 2 . . . . 5 ILE HG13 . 6794 1 37 . 2 2 5 5 ILE HG21 H 1 0.886 0.017 . 1 . . . . 5 ILE HG2 . 6794 1 38 . 2 2 5 5 ILE HG22 H 1 0.886 0.017 . 1 . . . . 5 ILE HG2 . 6794 1 39 . 2 2 5 5 ILE HG23 H 1 0.886 0.017 . 1 . . . . 5 ILE HG2 . 6794 1 40 . 2 2 5 5 ILE HD11 H 1 0.861 0.016 . 1 . . . . 5 ILE HD1 . 6794 1 41 . 2 2 5 5 ILE HD12 H 1 0.861 0.016 . 1 . . . . 5 ILE HD1 . 6794 1 42 . 2 2 5 5 ILE HD13 H 1 0.861 0.016 . 1 . . . . 5 ILE HD1 . 6794 1 43 . 2 2 5 5 ILE C C 13 172.615 0.021 . 1 . . . . 5 ILE C . 6794 1 44 . 2 2 5 5 ILE CA C 13 61.056 0.087 . 1 . . . . 5 ILE CA . 6794 1 45 . 2 2 5 5 ILE CB C 13 38.764 0.074 . 1 . . . . 5 ILE CB . 6794 1 46 . 2 2 5 5 ILE CG1 C 13 27.281 0.042 . 1 . . . . 5 ILE CG1 . 6794 1 47 . 2 2 5 5 ILE CG2 C 13 17.420 0.022 . 1 . . . . 5 ILE CG2 . 6794 1 48 . 2 2 5 5 ILE CD1 C 13 12.857 0.014 . 1 . . . . 5 ILE CD1 . 6794 1 49 . 2 2 5 5 ILE N N 15 123.381 0.016 . 1 . . . . 5 ILE N . 6794 1 50 . 2 2 6 6 ALA H H 1 8.357 0.013 . 1 . . . . 6 ALA H . 6794 1 51 . 2 2 6 6 ALA HA H 1 4.602 0.000 . 1 . . . . 6 ALA HA . 6794 1 52 . 2 2 6 6 ALA HB1 H 1 1.361 0.002 . 1 . . . . 6 ALA HB . 6794 1 53 . 2 2 6 6 ALA HB2 H 1 1.361 0.002 . 1 . . . . 6 ALA HB . 6794 1 54 . 2 2 6 6 ALA HB3 H 1 1.361 0.002 . 1 . . . . 6 ALA HB . 6794 1 55 . 2 2 6 6 ALA C C 13 172.788 0.000 . 1 . . . . 6 ALA C . 6794 1 56 . 2 2 6 6 ALA CA C 13 50.293 0.029 . 1 . . . . 6 ALA CA . 6794 1 57 . 2 2 6 6 ALA CB C 13 18.340 0.044 . 1 . . . . 6 ALA CB . 6794 1 58 . 2 2 6 6 ALA N N 15 130.152 0.010 . 1 . . . . 6 ALA N . 6794 1 59 . 2 2 7 7 PRO HA H 1 4.406 0.013 . 1 . . . . 7 PRO HA . 6794 1 60 . 2 2 7 7 PRO HB2 H 1 1.918 0.008 . 2 . . . . 7 PRO HB2 . 6794 1 61 . 2 2 7 7 PRO HB3 H 1 2.275 0.013 . 2 . . . . 7 PRO HB3 . 6794 1 62 . 2 2 7 7 PRO HG2 H 1 2.024 0.001 . 2 . . . . 7 PRO HG2 . 6794 1 63 . 2 2 7 7 PRO HG3 H 1 2.025 0.001 . 2 . . . . 7 PRO HG3 . 6794 1 64 . 2 2 7 7 PRO HD2 H 1 3.665 0.012 . 2 . . . . 7 PRO HD2 . 6794 1 65 . 2 2 7 7 PRO HD3 H 1 3.806 0.001 . 2 . . . . 7 PRO HD3 . 6794 1 66 . 2 2 7 7 PRO CA C 13 63.075 0.000 . 1 . . . . 7 PRO CA . 6794 1 67 . 2 2 7 7 PRO CB C 13 31.994 0.059 . 1 . . . . 7 PRO CB . 6794 1 68 . 2 2 7 7 PRO CG C 13 27.445 0.126 . 1 . . . . 7 PRO CG . 6794 1 69 . 2 2 7 7 PRO CD C 13 50.622 0.000 . 1 . . . . 7 PRO CD . 6794 1 70 . 2 2 8 8 LEU H H 1 7.854 0.006 . 1 . . . . 8 LEU H . 6794 1 71 . 2 2 8 8 LEU HA H 1 4.147 0.000 . 1 . . . . 8 LEU HA . 6794 1 72 . 2 2 8 8 LEU CA C 13 56.946 0.000 . 1 . . . . 8 LEU CA . 6794 1 73 . 2 2 8 8 LEU CB C 13 43.451 0.000 . 1 . . . . 8 LEU CB . 6794 1 74 . 2 2 8 8 LEU N N 15 127.951 0.034 . 1 . . . . 8 LEU N . 6794 1 75 . 1 1 1 1 SER HA H 1 4.245 0.005 . 1 . . . . 9 SER HA . 6794 1 76 . 1 1 1 1 SER HB2 H 1 4.021 0.001 . 1 . . . . 9 SER HB2 . 6794 1 77 . 1 1 1 1 SER HB3 H 1 4.021 0.001 . 1 . . . . 9 SER HB3 . 6794 1 78 . 1 1 1 1 SER C C 13 176.760 0.000 . 1 . . . . 9 SER C . 6794 1 79 . 1 1 1 1 SER CA C 13 57.429 0.048 . 1 . . . . 9 SER CA . 6794 1 80 . 1 1 1 1 SER CB C 13 63.432 0.122 . 1 . . . . 9 SER CB . 6794 1 81 . 1 1 2 2 VAL H H 1 8.658 0.002 . 1 . . . . 10 VAL H . 6794 1 82 . 1 1 2 2 VAL HA H 1 4.209 0.003 . 1 . . . . 10 VAL HA . 6794 1 83 . 1 1 2 2 VAL HB H 1 2.153 0.003 . 1 . . . . 10 VAL HB . 6794 1 84 . 1 1 2 2 VAL HG11 H 1 0.992 0.004 . 2 . . . . 10 VAL HG1 . 6794 1 85 . 1 1 2 2 VAL HG12 H 1 0.992 0.004 . 2 . . . . 10 VAL HG1 . 6794 1 86 . 1 1 2 2 VAL HG13 H 1 0.992 0.004 . 2 . . . . 10 VAL HG1 . 6794 1 87 . 1 1 2 2 VAL HG21 H 1 0.992 0.003 . 2 . . . . 10 VAL HG2 . 6794 1 88 . 1 1 2 2 VAL HG22 H 1 0.992 0.003 . 2 . . . . 10 VAL HG2 . 6794 1 89 . 1 1 2 2 VAL HG23 H 1 0.992 0.003 . 2 . . . . 10 VAL HG2 . 6794 1 90 . 1 1 2 2 VAL C C 13 171.927 0.003 . 1 . . . . 10 VAL C . 6794 1 91 . 1 1 2 2 VAL CA C 13 62.981 0.047 . 1 . . . . 10 VAL CA . 6794 1 92 . 1 1 2 2 VAL CB C 13 32.703 0.065 . 1 . . . . 10 VAL CB . 6794 1 93 . 1 1 2 2 VAL CG1 C 13 21.255 0.017 . 2 . . . . 10 VAL CG1 . 6794 1 94 . 1 1 2 2 VAL CG2 C 13 20.532 0.050 . 2 . . . . 10 VAL CG2 . 6794 1 95 . 1 1 2 2 VAL N N 15 120.622 0.009 . 1 . . . . 10 VAL N . 6794 1 96 . 1 1 3 3 LYS H H 1 8.463 0.000 . 1 . . . . 11 LYS H . 6794 1 97 . 1 1 3 3 LYS HA H 1 4.386 0.000 . 1 . . . . 11 LYS HA . 6794 1 98 . 1 1 3 3 LYS HB2 H 1 1.789 0.002 . 2 . . . . 11 LYS HB2 . 6794 1 99 . 1 1 3 3 LYS HB3 H 1 1.891 0.004 . 2 . . . . 11 LYS HB3 . 6794 1 100 . 1 1 3 3 LYS HG2 H 1 1.462 0.000 . 1 . . . . 11 LYS HG2 . 6794 1 101 . 1 1 3 3 LYS HG3 H 1 1.462 0.000 . 1 . . . . 11 LYS HG3 . 6794 1 102 . 1 1 3 3 LYS HD2 H 1 1.700 0.000 . 1 . . . . 11 LYS HD2 . 6794 1 103 . 1 1 3 3 LYS HD3 H 1 1.700 0.000 . 1 . . . . 11 LYS HD3 . 6794 1 104 . 1 1 3 3 LYS HE2 H 1 3.018 0.003 . 1 . . . . 11 LYS HE2 . 6794 1 105 . 1 1 3 3 LYS HE3 H 1 3.018 0.003 . 1 . . . . 11 LYS HE3 . 6794 1 106 . 1 1 3 3 LYS C C 13 171.845 0.019 . 1 . . . . 11 LYS C . 6794 1 107 . 1 1 3 3 LYS CA C 13 56.468 0.034 . 1 . . . . 11 LYS CA . 6794 1 108 . 1 1 3 3 LYS CB C 13 33.191 0.051 . 1 . . . . 11 LYS CB . 6794 1 109 . 1 1 3 3 LYS CG C 13 24.820 0.044 . 1 . . . . 11 LYS CG . 6794 1 110 . 1 1 3 3 LYS CD C 13 29.129 0.014 . 1 . . . . 11 LYS CD . 6794 1 111 . 1 1 3 3 LYS CE C 13 42.183 0.014 . 1 . . . . 11 LYS CE . 6794 1 112 . 1 1 3 3 LYS N N 15 124.190 0.044 . 1 . . . . 11 LYS N . 6794 1 113 . 1 1 4 4 ASP H H 1 8.284 0.000 . 1 . . . . 12 ASP H . 6794 1 114 . 1 1 4 4 ASP HA H 1 4.706 0.000 . 1 . . . . 12 ASP HA . 6794 1 115 . 1 1 4 4 ASP HB2 H 1 2.784 0.008 . 2 . . . . 12 ASP HB2 . 6794 1 116 . 1 1 4 4 ASP HB3 H 1 2.677 0.001 . 2 . . . . 12 ASP HB3 . 6794 1 117 . 1 1 4 4 ASP C C 13 172.224 0.022 . 1 . . . . 12 ASP C . 6794 1 118 . 1 1 4 4 ASP CA C 13 54.713 0.059 . 1 . . . . 12 ASP CA . 6794 1 119 . 1 1 4 4 ASP CB C 13 41.179 0.097 . 1 . . . . 12 ASP CB . 6794 1 120 . 1 1 4 4 ASP N N 15 121.127 0.020 . 1 . . . . 12 ASP N . 6794 1 121 . 1 1 5 5 ASN H H 1 8.223 0.003 . 1 . . . . 13 ASN H . 6794 1 122 . 1 1 5 5 ASN HA H 1 4.756 0.000 . 1 . . . . 13 ASN HA . 6794 1 123 . 1 1 5 5 ASN HB2 H 1 2.997 0.007 . 2 . . . . 13 ASN HB2 . 6794 1 124 . 1 1 5 5 ASN HB3 H 1 2.848 0.009 . 2 . . . . 13 ASN HB3 . 6794 1 125 . 1 1 5 5 ASN HD21 H 1 7.676 0.001 . 2 . . . . 13 ASN HD21 . 6794 1 126 . 1 1 5 5 ASN HD22 H 1 6.944 0.001 . 2 . . . . 13 ASN HD22 . 6794 1 127 . 1 1 5 5 ASN C C 13 173.980 0.020 . 1 . . . . 13 ASN C . 6794 1 128 . 1 1 5 5 ASN CA C 13 52.979 0.067 . 1 . . . . 13 ASN CA . 6794 1 129 . 1 1 5 5 ASN CB C 13 39.263 0.117 . 1 . . . . 13 ASN CB . 6794 1 130 . 1 1 5 5 ASN N N 15 118.080 0.019 . 1 . . . . 13 ASN N . 6794 1 131 . 1 1 5 5 ASN ND2 N 15 112.561 0.029 . 1 . . . . 13 ASN ND2 . 6794 1 132 . 1 1 6 6 ASP H H 1 7.947 0.000 . 1 . . . . 14 ASP H . 6794 1 133 . 1 1 6 6 ASP HA H 1 4.932 0.000 . 1 . . . . 14 ASP HA . 6794 1 134 . 1 1 6 6 ASP HB2 H 1 2.487 0.007 . 2 . . . . 14 ASP HB2 . 6794 1 135 . 1 1 6 6 ASP HB3 H 1 2.472 0.019 . 2 . . . . 14 ASP HB3 . 6794 1 136 . 1 1 6 6 ASP C C 13 173.442 0.006 . 1 . . . . 14 ASP C . 6794 1 137 . 1 1 6 6 ASP CA C 13 54.001 0.058 . 1 . . . . 14 ASP CA . 6794 1 138 . 1 1 6 6 ASP CB C 13 43.061 0.110 . 1 . . . . 14 ASP CB . 6794 1 139 . 1 1 6 6 ASP N N 15 120.844 0.028 . 1 . . . . 14 ASP N . 6794 1 140 . 1 1 7 7 LYS H H 1 8.143 0.000 . 1 . . . . 15 LYS H . 6794 1 141 . 1 1 7 7 LYS HA H 1 4.678 0.000 . 1 . . . . 15 LYS HA . 6794 1 142 . 1 1 7 7 LYS HB2 H 1 1.735 0.014 . 2 . . . . 15 LYS HB2 . 6794 1 143 . 1 1 7 7 LYS HB3 H 1 1.724 0.011 . 2 . . . . 15 LYS HB3 . 6794 1 144 . 1 1 7 7 LYS HG2 H 1 1.230 0.005 . 2 . . . . 15 LYS HG2 . 6794 1 145 . 1 1 7 7 LYS HG3 H 1 1.448 0.003 . 2 . . . . 15 LYS HG3 . 6794 1 146 . 1 1 7 7 LYS HD2 H 1 1.701 0.000 . 1 . . . . 15 LYS HD2 . 6794 1 147 . 1 1 7 7 LYS HD3 H 1 1.701 0.000 . 1 . . . . 15 LYS HD3 . 6794 1 148 . 1 1 7 7 LYS HE2 H 1 2.954 0.009 . 1 . . . . 15 LYS HE2 . 6794 1 149 . 1 1 7 7 LYS HE3 H 1 2.954 0.009 . 1 . . . . 15 LYS HE3 . 6794 1 150 . 1 1 7 7 LYS C C 13 173.526 0.003 . 1 . . . . 15 LYS C . 6794 1 151 . 1 1 7 7 LYS CA C 13 55.314 0.071 . 1 . . . . 15 LYS CA . 6794 1 152 . 1 1 7 7 LYS CB C 13 35.290 0.064 . 1 . . . . 15 LYS CB . 6794 1 153 . 1 1 7 7 LYS CG C 13 24.890 0.081 . 1 . . . . 15 LYS CG . 6794 1 154 . 1 1 7 7 LYS CD C 13 28.718 0.087 . 1 . . . . 15 LYS CD . 6794 1 155 . 1 1 7 7 LYS CE C 13 42.276 0.000 . 1 . . . . 15 LYS CE . 6794 1 156 . 1 1 7 7 LYS N N 15 121.902 0.046 . 1 . . . . 15 LYS N . 6794 1 157 . 1 1 8 8 TRP H H 1 8.933 0.008 . 1 . . . . 16 TRP H . 6794 1 158 . 1 1 8 8 TRP HA H 1 5.147 0.004 . 1 . . . . 16 TRP HA . 6794 1 159 . 1 1 8 8 TRP HB2 H 1 3.173 0.006 . 2 . . . . 16 TRP HB2 . 6794 1 160 . 1 1 8 8 TRP HB3 H 1 3.051 0.004 . 2 . . . . 16 TRP HB3 . 6794 1 161 . 1 1 8 8 TRP HD1 H 1 7.162 0.000 . 1 . . . . 16 TRP HD1 . 6794 1 162 . 1 1 8 8 TRP HE1 H 1 9.949 0.011 . 1 . . . . 16 TRP HE1 . 6794 1 163 . 1 1 8 8 TRP HE3 H 1 7.484 0.000 . 1 . . . . 16 TRP HE3 . 6794 1 164 . 1 1 8 8 TRP HZ2 H 1 7.003 0.000 . 1 . . . . 16 TRP HZ2 . 6794 1 165 . 1 1 8 8 TRP HZ3 H 1 6.865 0.000 . 1 . . . . 16 TRP HZ3 . 6794 1 166 . 1 1 8 8 TRP HH2 H 1 6.862 0.000 . 1 . . . . 16 TRP HH2 . 6794 1 167 . 1 1 8 8 TRP C C 13 172.016 0.011 . 1 . . . . 16 TRP C . 6794 1 168 . 1 1 8 8 TRP CA C 13 57.241 0.029 . 1 . . . . 16 TRP CA . 6794 1 169 . 1 1 8 8 TRP CB C 13 30.428 0.064 . 1 . . . . 16 TRP CB . 6794 1 170 . 1 1 8 8 TRP CD1 C 13 127.289 0.000 . 1 . . . . 16 TRP CD1 . 6794 1 171 . 1 1 8 8 TRP CE3 C 13 121.005 0.000 . 1 . . . . 16 TRP CE3 . 6794 1 172 . 1 1 8 8 TRP CZ2 C 13 113.735 0.000 . 1 . . . . 16 TRP CZ2 . 6794 1 173 . 1 1 8 8 TRP CZ3 C 13 121.661 0.000 . 1 . . . . 16 TRP CZ3 . 6794 1 174 . 1 1 8 8 TRP CH2 C 13 124.156 0.000 . 1 . . . . 16 TRP CH2 . 6794 1 175 . 1 1 8 8 TRP N N 15 126.664 0.038 . 1 . . . . 16 TRP N . 6794 1 176 . 1 1 8 8 TRP NE1 N 15 130.148 0.032 . 1 . . . . 16 TRP NE1 . 6794 1 177 . 1 1 9 9 VAL H H 1 8.824 0.000 . 1 . . . . 17 VAL H . 6794 1 178 . 1 1 9 9 VAL HA H 1 4.560 0.000 . 1 . . . . 17 VAL HA . 6794 1 179 . 1 1 9 9 VAL HB H 1 2.023 0.004 . 1 . . . . 17 VAL HB . 6794 1 180 . 1 1 9 9 VAL HG11 H 1 0.891 0.008 . 2 . . . . 17 VAL HG1 . 6794 1 181 . 1 1 9 9 VAL HG12 H 1 0.891 0.008 . 2 . . . . 17 VAL HG1 . 6794 1 182 . 1 1 9 9 VAL HG13 H 1 0.891 0.008 . 2 . . . . 17 VAL HG1 . 6794 1 183 . 1 1 9 9 VAL HG21 H 1 0.898 0.003 . 2 . . . . 17 VAL HG2 . 6794 1 184 . 1 1 9 9 VAL HG22 H 1 0.898 0.003 . 2 . . . . 17 VAL HG2 . 6794 1 185 . 1 1 9 9 VAL HG23 H 1 0.898 0.003 . 2 . . . . 17 VAL HG2 . 6794 1 186 . 1 1 9 9 VAL C C 13 173.994 0.003 . 1 . . . . 17 VAL C . 6794 1 187 . 1 1 9 9 VAL CA C 13 60.682 0.074 . 1 . . . . 17 VAL CA . 6794 1 188 . 1 1 9 9 VAL CB C 13 35.762 0.067 . 1 . . . . 17 VAL CB . 6794 1 189 . 1 1 9 9 VAL CG1 C 13 21.138 0.109 . 2 . . . . 17 VAL CG1 . 6794 1 190 . 1 1 9 9 VAL CG2 C 13 21.100 0.104 . 2 . . . . 17 VAL CG2 . 6794 1 191 . 1 1 9 9 VAL N N 15 120.717 0.047 . 1 . . . . 17 VAL N . 6794 1 192 . 1 1 10 10 ASP H H 1 8.751 0.011 . 1 . . . . 18 ASP H . 6794 1 193 . 1 1 10 10 ASP HA H 1 5.408 0.000 . 1 . . . . 18 ASP HA . 6794 1 194 . 1 1 10 10 ASP HB2 H 1 2.662 0.004 . 1 . . . . 18 ASP HB2 . 6794 1 195 . 1 1 10 10 ASP HB3 H 1 2.662 0.004 . 1 . . . . 18 ASP HB3 . 6794 1 196 . 1 1 10 10 ASP C C 13 172.486 0.000 . 1 . . . . 18 ASP C . 6794 1 197 . 1 1 10 10 ASP CA C 13 53.873 0.041 . 1 . . . . 18 ASP CA . 6794 1 198 . 1 1 10 10 ASP CB C 13 41.479 0.047 . 1 . . . . 18 ASP CB . 6794 1 199 . 1 1 10 10 ASP N N 15 127.603 0.050 . 1 . . . . 18 ASP N . 6794 1 200 . 1 1 11 11 THR H H 1 8.869 0.000 . 1 . . . . 19 THR H . 6794 1 201 . 1 1 11 11 THR HA H 1 4.724 0.000 . 1 . . . . 19 THR HA . 6794 1 202 . 1 1 11 11 THR HB H 1 3.909 0.004 . 1 . . . . 19 THR HB . 6794 1 203 . 1 1 11 11 THR HG21 H 1 1.096 0.003 . 1 . . . . 19 THR HG2 . 6794 1 204 . 1 1 11 11 THR HG22 H 1 1.096 0.003 . 1 . . . . 19 THR HG2 . 6794 1 205 . 1 1 11 11 THR HG23 H 1 1.096 0.003 . 1 . . . . 19 THR HG2 . 6794 1 206 . 1 1 11 11 THR C C 13 175.701 0.021 . 1 . . . . 19 THR C . 6794 1 207 . 1 1 11 11 THR CA C 13 58.805 0.066 . 1 . . . . 19 THR CA . 6794 1 208 . 1 1 11 11 THR CB C 13 69.177 0.038 . 1 . . . . 19 THR CB . 6794 1 209 . 1 1 11 11 THR CG2 C 13 20.473 0.021 . 1 . . . . 19 THR CG2 . 6794 1 210 . 1 1 11 11 THR N N 15 118.561 0.070 . 1 . . . . 19 THR N . 6794 1 211 . 1 1 12 12 HIS H H 1 8.821 0.000 . 1 . . . . 20 HIS H . 6794 1 212 . 1 1 12 12 HIS HA H 1 5.522 0.000 . 1 . . . . 20 HIS HA . 6794 1 213 . 1 1 12 12 HIS HB2 H 1 3.355 0.002 . 2 . . . . 20 HIS HB2 . 6794 1 214 . 1 1 12 12 HIS HB3 H 1 2.765 0.005 . 2 . . . . 20 HIS HB3 . 6794 1 215 . 1 1 12 12 HIS HD2 H 1 7.234 0.000 . 1 . . . . 20 HIS HD2 . 6794 1 216 . 1 1 12 12 HIS C C 13 174.185 0.011 . 1 . . . . 20 HIS C . 6794 1 217 . 1 1 12 12 HIS CA C 13 54.137 0.028 . 1 . . . . 20 HIS CA . 6794 1 218 . 1 1 12 12 HIS CB C 13 33.271 0.067 . 1 . . . . 20 HIS CB . 6794 1 219 . 1 1 12 12 HIS N N 15 118.527 0.011 . 1 . . . . 20 HIS N . 6794 1 220 . 1 1 13 13 VAL H H 1 8.698 0.008 . 1 . . . . 21 VAL H . 6794 1 221 . 1 1 13 13 VAL HA H 1 3.261 0.006 . 1 . . . . 21 VAL HA . 6794 1 222 . 1 1 13 13 VAL HB H 1 1.909 0.001 . 1 . . . . 21 VAL HB . 6794 1 223 . 1 1 13 13 VAL HG11 H 1 0.823 0.006 . 2 . . . . 21 VAL HG1 . 6794 1 224 . 1 1 13 13 VAL HG12 H 1 0.823 0.006 . 2 . . . . 21 VAL HG1 . 6794 1 225 . 1 1 13 13 VAL HG13 H 1 0.823 0.006 . 2 . . . . 21 VAL HG1 . 6794 1 226 . 1 1 13 13 VAL HG21 H 1 0.808 0.010 . 2 . . . . 21 VAL HG2 . 6794 1 227 . 1 1 13 13 VAL HG22 H 1 0.808 0.010 . 2 . . . . 21 VAL HG2 . 6794 1 228 . 1 1 13 13 VAL HG23 H 1 0.808 0.010 . 2 . . . . 21 VAL HG2 . 6794 1 229 . 1 1 13 13 VAL C C 13 170.225 0.016 . 1 . . . . 21 VAL C . 6794 1 230 . 1 1 13 13 VAL CA C 13 65.499 0.078 . 1 . . . . 21 VAL CA . 6794 1 231 . 1 1 13 13 VAL CB C 13 31.529 0.062 . 1 . . . . 21 VAL CB . 6794 1 232 . 1 1 13 13 VAL CG1 C 13 23.383 0.022 . 2 . . . . 21 VAL CG1 . 6794 1 233 . 1 1 13 13 VAL CG2 C 13 21.252 0.018 . 2 . . . . 21 VAL CG2 . 6794 1 234 . 1 1 13 13 VAL N N 15 121.266 0.025 . 1 . . . . 21 VAL N . 6794 1 235 . 1 1 14 14 GLY H H 1 8.379 0.000 . 1 . . . . 22 GLY H . 6794 1 236 . 1 1 14 14 GLY HA2 H 1 4.296 0.000 . 2 . . . . 22 GLY HA2 . 6794 1 237 . 1 1 14 14 GLY HA3 H 1 3.588 0.000 . 2 . . . . 22 GLY HA3 . 6794 1 238 . 1 1 14 14 GLY C C 13 174.961 0.010 . 1 . . . . 22 GLY C . 6794 1 239 . 1 1 14 14 GLY CA C 13 45.548 0.051 . 1 . . . . 22 GLY CA . 6794 1 240 . 1 1 14 14 GLY N N 15 112.492 0.011 . 1 . . . . 22 GLY N . 6794 1 241 . 1 1 15 15 LYS H H 1 7.621 0.000 . 1 . . . . 23 LYS H . 6794 1 242 . 1 1 15 15 LYS HA H 1 4.540 0.000 . 1 . . . . 23 LYS HA . 6794 1 243 . 1 1 15 15 LYS HB2 H 1 1.662 0.000 . 2 . . . . 23 LYS HB2 . 6794 1 244 . 1 1 15 15 LYS HB3 H 1 1.908 0.005 . 2 . . . . 23 LYS HB3 . 6794 1 245 . 1 1 15 15 LYS HG2 H 1 1.459 0.009 . 2 . . . . 23 LYS HG2 . 6794 1 246 . 1 1 15 15 LYS HG3 H 1 1.302 0.004 . 2 . . . . 23 LYS HG3 . 6794 1 247 . 1 1 15 15 LYS HD2 H 1 1.708 0.010 . 1 . . . . 23 LYS HD2 . 6794 1 248 . 1 1 15 15 LYS HD3 H 1 1.708 0.010 . 1 . . . . 23 LYS HD3 . 6794 1 249 . 1 1 15 15 LYS HE2 H 1 3.005 0.000 . 1 . . . . 23 LYS HE2 . 6794 1 250 . 1 1 15 15 LYS HE3 H 1 3.005 0.000 . 1 . . . . 23 LYS HE3 . 6794 1 251 . 1 1 15 15 LYS C C 13 171.631 0.017 . 1 . . . . 23 LYS C . 6794 1 252 . 1 1 15 15 LYS CA C 13 54.666 0.063 . 1 . . . . 23 LYS CA . 6794 1 253 . 1 1 15 15 LYS CB C 13 32.814 0.048 . 1 . . . . 23 LYS CB . 6794 1 254 . 1 1 15 15 LYS CG C 13 25.175 0.057 . 1 . . . . 23 LYS CG . 6794 1 255 . 1 1 15 15 LYS CD C 13 28.638 0.000 . 1 . . . . 23 LYS CD . 6794 1 256 . 1 1 15 15 LYS CE C 13 42.278 0.000 . 1 . . . . 23 LYS CE . 6794 1 257 . 1 1 15 15 LYS N N 15 121.441 0.046 . 1 . . . . 23 LYS N . 6794 1 258 . 1 1 16 16 THR H H 1 8.791 0.000 . 1 . . . . 24 THR H . 6794 1 259 . 1 1 16 16 THR HA H 1 4.788 0.000 . 1 . . . . 24 THR HA . 6794 1 260 . 1 1 16 16 THR HB H 1 3.979 0.006 . 1 . . . . 24 THR HB . 6794 1 261 . 1 1 16 16 THR HG21 H 1 1.051 0.001 . 1 . . . . 24 THR HG2 . 6794 1 262 . 1 1 16 16 THR HG22 H 1 1.051 0.001 . 1 . . . . 24 THR HG2 . 6794 1 263 . 1 1 16 16 THR HG23 H 1 1.051 0.001 . 1 . . . . 24 THR HG2 . 6794 1 264 . 1 1 16 16 THR C C 13 172.507 0.011 . 1 . . . . 24 THR C . 6794 1 265 . 1 1 16 16 THR CA C 13 63.604 0.061 . 1 . . . . 24 THR CA . 6794 1 266 . 1 1 16 16 THR CB C 13 69.780 0.032 . 1 . . . . 24 THR CB . 6794 1 267 . 1 1 16 16 THR CG2 C 13 22.892 0.028 . 1 . . . . 24 THR CG2 . 6794 1 268 . 1 1 16 16 THR N N 15 122.250 0.047 . 1 . . . . 24 THR N . 6794 1 269 . 1 1 17 17 THR H H 1 9.514 0.005 . 1 . . . . 25 THR H . 6794 1 270 . 1 1 17 17 THR HA H 1 4.369 0.006 . 1 . . . . 25 THR HA . 6794 1 271 . 1 1 17 17 THR HB H 1 3.692 0.003 . 1 . . . . 25 THR HB . 6794 1 272 . 1 1 17 17 THR HG21 H 1 1.087 0.007 . 1 . . . . 25 THR HG2 . 6794 1 273 . 1 1 17 17 THR HG22 H 1 1.087 0.007 . 1 . . . . 25 THR HG2 . 6794 1 274 . 1 1 17 17 THR HG23 H 1 1.087 0.007 . 1 . . . . 25 THR HG2 . 6794 1 275 . 1 1 17 17 THR C C 13 176.593 0.012 . 1 . . . . 25 THR C . 6794 1 276 . 1 1 17 17 THR CA C 13 63.384 0.065 . 1 . . . . 25 THR CA . 6794 1 277 . 1 1 17 17 THR CB C 13 70.767 0.050 . 1 . . . . 25 THR CB . 6794 1 278 . 1 1 17 17 THR CG2 C 13 21.495 0.078 . 1 . . . . 25 THR CG2 . 6794 1 279 . 1 1 17 17 THR N N 15 127.867 0.040 . 1 . . . . 25 THR N . 6794 1 280 . 1 1 18 18 GLU H H 1 8.733 0.000 . 1 . . . . 26 GLU H . 6794 1 281 . 1 1 18 18 GLU HA H 1 5.288 0.000 . 1 . . . . 26 GLU HA . 6794 1 282 . 1 1 18 18 GLU HB2 H 1 1.796 0.000 . 2 . . . . 26 GLU HB2 . 6794 1 283 . 1 1 18 18 GLU HB3 H 1 1.784 0.012 . 2 . . . . 26 GLU HB3 . 6794 1 284 . 1 1 18 18 GLU HG2 H 1 1.787 0.010 . 2 . . . . 26 GLU HG2 . 6794 1 285 . 1 1 18 18 GLU HG3 H 1 2.060 0.002 . 2 . . . . 26 GLU HG3 . 6794 1 286 . 1 1 18 18 GLU C C 13 172.971 0.003 . 1 . . . . 26 GLU C . 6794 1 287 . 1 1 18 18 GLU CA C 13 54.343 0.045 . 1 . . . . 26 GLU CA . 6794 1 288 . 1 1 18 18 GLU CB C 13 31.745 0.056 . 1 . . . . 26 GLU CB . 6794 1 289 . 1 1 18 18 GLU CG C 13 36.001 0.020 . 1 . . . . 26 GLU CG . 6794 1 290 . 1 1 18 18 GLU N N 15 129.308 0.023 . 1 . . . . 26 GLU N . 6794 1 291 . 1 1 19 19 ILE H H 1 9.286 0.000 . 1 . . . . 27 ILE H . 6794 1 292 . 1 1 19 19 ILE HA H 1 4.185 0.000 . 1 . . . . 27 ILE HA . 6794 1 293 . 1 1 19 19 ILE HB H 1 1.369 0.005 . 1 . . . . 27 ILE HB . 6794 1 294 . 1 1 19 19 ILE HG12 H 1 1.139 0.002 . 2 . . . . 27 ILE HG12 . 6794 1 295 . 1 1 19 19 ILE HG13 H 1 0.914 0.005 . 2 . . . . 27 ILE HG13 . 6794 1 296 . 1 1 19 19 ILE HG21 H 1 0.330 0.008 . 1 . . . . 27 ILE HG2 . 6794 1 297 . 1 1 19 19 ILE HG22 H 1 0.330 0.008 . 1 . . . . 27 ILE HG2 . 6794 1 298 . 1 1 19 19 ILE HG23 H 1 0.330 0.008 . 1 . . . . 27 ILE HG2 . 6794 1 299 . 1 1 19 19 ILE HD11 H 1 0.520 0.005 . 1 . . . . 27 ILE HD1 . 6794 1 300 . 1 1 19 19 ILE HD12 H 1 0.520 0.005 . 1 . . . . 27 ILE HD1 . 6794 1 301 . 1 1 19 19 ILE HD13 H 1 0.520 0.005 . 1 . . . . 27 ILE HD1 . 6794 1 302 . 1 1 19 19 ILE C C 13 173.492 0.009 . 1 . . . . 27 ILE C . 6794 1 303 . 1 1 19 19 ILE CA C 13 59.531 0.025 . 1 . . . . 27 ILE CA . 6794 1 304 . 1 1 19 19 ILE CB C 13 41.590 0.062 . 1 . . . . 27 ILE CB . 6794 1 305 . 1 1 19 19 ILE CG1 C 13 26.668 0.085 . 1 . . . . 27 ILE CG1 . 6794 1 306 . 1 1 19 19 ILE CG2 C 13 17.536 0.042 . 1 . . . . 27 ILE CG2 . 6794 1 307 . 1 1 19 19 ILE CD1 C 13 14.234 0.022 . 1 . . . . 27 ILE CD1 . 6794 1 308 . 1 1 19 19 ILE N N 15 126.783 0.048 . 1 . . . . 27 ILE N . 6794 1 309 . 1 1 20 20 HIS H H 1 8.735 0.000 . 1 . . . . 28 HIS H . 6794 1 310 . 1 1 20 20 HIS HA H 1 5.563 0.000 . 1 . . . . 28 HIS HA . 6794 1 311 . 1 1 20 20 HIS HB2 H 1 3.153 0.007 . 2 . . . . 28 HIS HB2 . 6794 1 312 . 1 1 20 20 HIS HB3 H 1 2.756 0.005 . 2 . . . . 28 HIS HB3 . 6794 1 313 . 1 1 20 20 HIS HD2 H 1 6.899 0.000 . 1 . . . . 28 HIS HD2 . 6794 1 314 . 1 1 20 20 HIS C C 13 174.682 0.007 . 1 . . . . 28 HIS C . 6794 1 315 . 1 1 20 20 HIS CA C 13 52.257 0.015 . 1 . . . . 28 HIS CA . 6794 1 316 . 1 1 20 20 HIS CB C 13 30.523 0.051 . 1 . . . . 28 HIS CB . 6794 1 317 . 1 1 20 20 HIS CD2 C 13 117.061 0.003 . 1 . . . . 28 HIS CD2 . 6794 1 318 . 1 1 20 20 HIS N N 15 124.595 0.020 . 1 . . . . 28 HIS N . 6794 1 319 . 1 1 21 21 LEU H H 1 8.930 0.000 . 1 . . . . 29 LEU H . 6794 1 320 . 1 1 21 21 LEU HA H 1 4.481 0.000 . 1 . . . . 29 LEU HA . 6794 1 321 . 1 1 21 21 LEU HB2 H 1 0.486 0.006 . 2 . . . . 29 LEU HB2 . 6794 1 322 . 1 1 21 21 LEU HB3 H 1 0.354 0.001 . 2 . . . . 29 LEU HB3 . 6794 1 323 . 1 1 21 21 LEU HG H 1 0.435 0.003 . 1 . . . . 29 LEU HG . 6794 1 324 . 1 1 21 21 LEU HD11 H 1 -1.035 0.004 . 1 . . . . 29 LEU HD1 . 6794 1 325 . 1 1 21 21 LEU HD12 H 1 -1.035 0.004 . 1 . . . . 29 LEU HD1 . 6794 1 326 . 1 1 21 21 LEU HD13 H 1 -1.035 0.004 . 1 . . . . 29 LEU HD1 . 6794 1 327 . 1 1 21 21 LEU HD21 H 1 -0.350 0.004 . 1 . . . . 29 LEU HD2 . 6794 1 328 . 1 1 21 21 LEU HD22 H 1 -0.350 0.004 . 1 . . . . 29 LEU HD2 . 6794 1 329 . 1 1 21 21 LEU HD23 H 1 -0.350 0.004 . 1 . . . . 29 LEU HD2 . 6794 1 330 . 1 1 21 21 LEU C C 13 172.353 0.014 . 1 . . . . 29 LEU C . 6794 1 331 . 1 1 21 21 LEU CA C 13 52.833 0.031 . 1 . . . . 29 LEU CA . 6794 1 332 . 1 1 21 21 LEU CB C 13 43.950 0.068 . 1 . . . . 29 LEU CB . 6794 1 333 . 1 1 21 21 LEU CG C 13 25.568 0.091 . 1 . . . . 29 LEU CG . 6794 1 334 . 1 1 21 21 LEU CD1 C 13 22.014 0.015 . 2 . . . . 29 LEU CD1 . 6794 1 335 . 1 1 21 21 LEU CD2 C 13 23.922 0.043 . 2 . . . . 29 LEU CD2 . 6794 1 336 . 1 1 21 21 LEU N N 15 124.797 0.016 . 1 . . . . 29 LEU N . 6794 1 337 . 1 1 22 22 LYS H H 1 8.710 0.004 . 1 . . . . 30 LYS H . 6794 1 338 . 1 1 22 22 LYS HA H 1 4.817 0.000 . 1 . . . . 30 LYS HA . 6794 1 339 . 1 1 22 22 LYS HB2 H 1 1.901 0.003 . 2 . . . . 30 LYS HB2 . 6794 1 340 . 1 1 22 22 LYS HB3 H 1 1.834 0.001 . 2 . . . . 30 LYS HB3 . 6794 1 341 . 1 1 22 22 LYS HG2 H 1 1.573 0.001 . 2 . . . . 30 LYS HG2 . 6794 1 342 . 1 1 22 22 LYS HG3 H 1 1.456 0.003 . 2 . . . . 30 LYS HG3 . 6794 1 343 . 1 1 22 22 LYS HD2 H 1 1.726 0.000 . 1 . . . . 30 LYS HD2 . 6794 1 344 . 1 1 22 22 LYS HD3 H 1 1.726 0.000 . 1 . . . . 30 LYS HD3 . 6794 1 345 . 1 1 22 22 LYS HE2 H 1 3.016 0.006 . 1 . . . . 30 LYS HE2 . 6794 1 346 . 1 1 22 22 LYS HE3 H 1 3.016 0.006 . 1 . . . . 30 LYS HE3 . 6794 1 347 . 1 1 22 22 LYS C C 13 170.919 0.010 . 1 . . . . 30 LYS C . 6794 1 348 . 1 1 22 22 LYS CA C 13 56.645 0.060 . 1 . . . . 30 LYS CA . 6794 1 349 . 1 1 22 22 LYS CB C 13 33.720 0.055 . 1 . . . . 30 LYS CB . 6794 1 350 . 1 1 22 22 LYS CG C 13 25.185 0.073 . 1 . . . . 30 LYS CG . 6794 1 351 . 1 1 22 22 LYS CD C 13 28.947 0.000 . 1 . . . . 30 LYS CD . 6794 1 352 . 1 1 22 22 LYS CE C 13 42.113 0.000 . 1 . . . . 30 LYS CE . 6794 1 353 . 1 1 22 22 LYS N N 15 122.018 0.036 . 1 . . . . 30 LYS N . 6794 1 354 . 1 1 23 23 GLY H H 1 8.363 0.002 . 1 . . . . 31 GLY H . 6794 1 355 . 1 1 23 23 GLY HA2 H 1 4.276 0.024 . 2 . . . . 31 GLY HA2 . 6794 1 356 . 1 1 23 23 GLY HA3 H 1 4.198 0.017 . 2 . . . . 31 GLY HA3 . 6794 1 357 . 1 1 23 23 GLY C C 13 176.842 0.024 . 1 . . . . 31 GLY C . 6794 1 358 . 1 1 23 23 GLY CA C 13 46.147 0.047 . 1 . . . . 31 GLY CA . 6794 1 359 . 1 1 23 23 GLY N N 15 107.968 0.024 . 1 . . . . 31 GLY N . 6794 1 360 . 1 1 24 24 ASN H H 1 8.274 0.004 . 1 . . . . 32 ASN H . 6794 1 361 . 1 1 24 24 ASN HA H 1 5.258 0.004 . 1 . . . . 32 ASN HA . 6794 1 362 . 1 1 24 24 ASN HB3 H 1 2.980 0.005 . 1 . . . . 32 ASN HB3 . 6794 1 363 . 1 1 24 24 ASN HD21 H 1 7.090 0.002 . 2 . . . . 32 ASN HD21 . 6794 1 364 . 1 1 24 24 ASN HD22 H 1 7.811 0.001 . 2 . . . . 32 ASN HD22 . 6794 1 365 . 1 1 24 24 ASN C C 13 173.179 0.000 . 1 . . . . 32 ASN C . 6794 1 366 . 1 1 24 24 ASN CA C 13 50.463 0.032 . 1 . . . . 32 ASN CA . 6794 1 367 . 1 1 24 24 ASN CB C 13 39.760 0.000 . 1 . . . . 32 ASN CB . 6794 1 368 . 1 1 24 24 ASN N N 15 114.105 0.025 . 1 . . . . 32 ASN N . 6794 1 369 . 1 1 24 24 ASN ND2 N 15 112.549 0.021 . 1 . . . . 32 ASN ND2 . 6794 1 370 . 1 1 25 25 PRO HA H 1 4.935 0.005 . 1 . . . . 33 PRO HA . 6794 1 371 . 1 1 25 25 PRO HB2 H 1 1.938 0.004 . 2 . . . . 33 PRO HB2 . 6794 1 372 . 1 1 25 25 PRO HB3 H 1 2.278 0.005 . 2 . . . . 33 PRO HB3 . 6794 1 373 . 1 1 25 25 PRO HG2 H 1 1.301 0.005 . 2 . . . . 33 PRO HG2 . 6794 1 374 . 1 1 25 25 PRO HG3 H 1 1.489 0.006 . 2 . . . . 33 PRO HG3 . 6794 1 375 . 1 1 25 25 PRO HD2 H 1 3.169 0.003 . 2 . . . . 33 PRO HD2 . 6794 1 376 . 1 1 25 25 PRO HD3 H 1 3.602 0.004 . 2 . . . . 33 PRO HD3 . 6794 1 377 . 1 1 25 25 PRO C C 13 168.427 0.000 . 1 . . . . 33 PRO C . 6794 1 378 . 1 1 25 25 PRO CA C 13 64.456 0.049 . 1 . . . . 33 PRO CA . 6794 1 379 . 1 1 25 25 PRO CB C 13 31.878 0.081 . 1 . . . . 33 PRO CB . 6794 1 380 . 1 1 25 25 PRO CG C 13 26.470 0.028 . 1 . . . . 33 PRO CG . 6794 1 381 . 1 1 25 25 PRO CD C 13 51.182 0.006 . 1 . . . . 33 PRO CD . 6794 1 382 . 1 1 26 26 THR H H 1 8.005 0.000 . 1 . . . . 34 THR H . 6794 1 383 . 1 1 26 26 THR HA H 1 4.185 0.000 . 1 . . . . 34 THR HA . 6794 1 384 . 1 1 26 26 THR HB H 1 4.280 0.007 . 1 . . . . 34 THR HB . 6794 1 385 . 1 1 26 26 THR HG21 H 1 1.322 0.004 . 1 . . . . 34 THR HG2 . 6794 1 386 . 1 1 26 26 THR HG22 H 1 1.322 0.004 . 1 . . . . 34 THR HG2 . 6794 1 387 . 1 1 26 26 THR HG23 H 1 1.322 0.004 . 1 . . . . 34 THR HG2 . 6794 1 388 . 1 1 26 26 THR C C 13 172.041 0.001 . 1 . . . . 34 THR C . 6794 1 389 . 1 1 26 26 THR CA C 13 65.062 0.062 . 1 . . . . 34 THR CA . 6794 1 390 . 1 1 26 26 THR CB C 13 68.685 0.039 . 1 . . . . 34 THR CB . 6794 1 391 . 1 1 26 26 THR CG2 C 13 21.785 0.038 . 1 . . . . 34 THR CG2 . 6794 1 392 . 1 1 26 26 THR N N 15 114.017 0.020 . 1 . . . . 34 THR N . 6794 1 393 . 1 1 27 27 THR H H 1 7.782 0.000 . 1 . . . . 35 THR H . 6794 1 394 . 1 1 27 27 THR HA H 1 4.366 0.000 . 1 . . . . 35 THR HA . 6794 1 395 . 1 1 27 27 THR HB H 1 4.627 0.002 . 1 . . . . 35 THR HB . 6794 1 396 . 1 1 27 27 THR HG21 H 1 1.402 0.006 . 1 . . . . 35 THR HG2 . 6794 1 397 . 1 1 27 27 THR HG22 H 1 1.402 0.006 . 1 . . . . 35 THR HG2 . 6794 1 398 . 1 1 27 27 THR HG23 H 1 1.402 0.006 . 1 . . . . 35 THR HG2 . 6794 1 399 . 1 1 27 27 THR C C 13 172.308 0.014 . 1 . . . . 35 THR C . 6794 1 400 . 1 1 27 27 THR CA C 13 62.855 0.069 . 1 . . . . 35 THR CA . 6794 1 401 . 1 1 27 27 THR CB C 13 70.985 0.102 . 1 . . . . 35 THR CB . 6794 1 402 . 1 1 27 27 THR CG2 C 13 21.298 0.003 . 1 . . . . 35 THR CG2 . 6794 1 403 . 1 1 27 27 THR N N 15 109.913 0.026 . 1 . . . . 35 THR N . 6794 1 404 . 1 1 28 28 GLY H H 1 7.881 0.000 . 1 . . . . 36 GLY H . 6794 1 405 . 1 1 28 28 GLY HA2 H 1 4.199 0.000 . 2 . . . . 36 GLY HA2 . 6794 1 406 . 1 1 28 28 GLY HA3 H 1 3.631 0.000 . 2 . . . . 36 GLY HA3 . 6794 1 407 . 1 1 28 28 GLY C C 13 174.804 0.008 . 1 . . . . 36 GLY C . 6794 1 408 . 1 1 28 28 GLY CA C 13 45.167 0.025 . 1 . . . . 36 GLY CA . 6794 1 409 . 1 1 28 28 GLY N N 15 109.461 0.035 . 1 . . . . 36 GLY N . 6794 1 410 . 1 1 29 29 TYR H H 1 7.297 0.000 . 1 . . . . 37 TYR H . 6794 1 411 . 1 1 29 29 TYR HA H 1 3.997 0.000 . 1 . . . . 37 TYR HA . 6794 1 412 . 1 1 29 29 TYR HB2 H 1 2.074 0.010 . 2 . . . . 37 TYR HB2 . 6794 1 413 . 1 1 29 29 TYR HB3 H 1 0.597 0.007 . 2 . . . . 37 TYR HB3 . 6794 1 414 . 1 1 29 29 TYR HD1 H 1 6.341 0.000 . 1 . . . . 37 TYR HD1 . 6794 1 415 . 1 1 29 29 TYR HD2 H 1 6.341 0.000 . 1 . . . . 37 TYR HD2 . 6794 1 416 . 1 1 29 29 TYR HE1 H 1 6.604 0.000 . 1 . . . . 37 TYR HE1 . 6794 1 417 . 1 1 29 29 TYR HE2 H 1 6.604 0.000 . 1 . . . . 37 TYR HE2 . 6794 1 418 . 1 1 29 29 TYR C C 13 173.142 0.012 . 1 . . . . 37 TYR C . 6794 1 419 . 1 1 29 29 TYR CA C 13 57.710 0.074 . 1 . . . . 37 TYR CA . 6794 1 420 . 1 1 29 29 TYR CB C 13 38.864 0.087 . 1 . . . . 37 TYR CB . 6794 1 421 . 1 1 29 29 TYR CD1 C 13 132.949 0.000 . 1 . . . . 37 TYR CD1 . 6794 1 422 . 1 1 29 29 TYR CD2 C 13 132.949 0.000 . 1 . . . . 37 TYR CD2 . 6794 1 423 . 1 1 29 29 TYR CE1 C 13 117.663 0.000 . 1 . . . . 37 TYR CE1 . 6794 1 424 . 1 1 29 29 TYR CE2 C 13 117.663 0.000 . 1 . . . . 37 TYR CE2 . 6794 1 425 . 1 1 29 29 TYR N N 15 119.181 0.034 . 1 . . . . 37 TYR N . 6794 1 426 . 1 1 30 30 MET H H 1 8.300 0.005 . 1 . . . . 38 MET H . 6794 1 427 . 1 1 30 30 MET HA H 1 4.548 0.000 . 1 . . . . 38 MET HA . 6794 1 428 . 1 1 30 30 MET HB2 H 1 2.160 0.001 . 2 . . . . 38 MET HB2 . 6794 1 429 . 1 1 30 30 MET HB3 H 1 1.887 0.003 . 2 . . . . 38 MET HB3 . 6794 1 430 . 1 1 30 30 MET HG2 H 1 2.161 0.005 . 2 . . . . 38 MET HG2 . 6794 1 431 . 1 1 30 30 MET HG3 H 1 2.412 0.004 . 2 . . . . 38 MET HG3 . 6794 1 432 . 1 1 30 30 MET C C 13 173.280 0.003 . 1 . . . . 38 MET C . 6794 1 433 . 1 1 30 30 MET CA C 13 54.486 0.042 . 1 . . . . 38 MET CA . 6794 1 434 . 1 1 30 30 MET CB C 13 35.883 0.032 . 1 . . . . 38 MET CB . 6794 1 435 . 1 1 30 30 MET CG C 13 29.881 0.033 . 1 . . . . 38 MET CG . 6794 1 436 . 1 1 30 30 MET N N 15 114.088 0.027 . 1 . . . . 38 MET N . 6794 1 437 . 1 1 31 31 TRP H H 1 5.837 0.000 . 1 . . . . 39 TRP H . 6794 1 438 . 1 1 31 31 TRP HA H 1 5.164 0.000 . 1 . . . . 39 TRP HA . 6794 1 439 . 1 1 31 31 TRP HB2 H 1 2.590 0.005 . 2 . . . . 39 TRP HB2 . 6794 1 440 . 1 1 31 31 TRP HB3 H 1 1.987 0.020 . 2 . . . . 39 TRP HB3 . 6794 1 441 . 1 1 31 31 TRP HD1 H 1 6.004 0.003 . 1 . . . . 39 TRP HD1 . 6794 1 442 . 1 1 31 31 TRP HE1 H 1 9.226 0.000 . 1 . . . . 39 TRP HE1 . 6794 1 443 . 1 1 31 31 TRP HE3 H 1 7.183 0.000 . 1 . . . . 39 TRP HE3 . 6794 1 444 . 1 1 31 31 TRP HZ2 H 1 7.093 0.000 . 1 . . . . 39 TRP HZ2 . 6794 1 445 . 1 1 31 31 TRP HZ3 H 1 6.569 0.000 . 1 . . . . 39 TRP HZ3 . 6794 1 446 . 1 1 31 31 TRP HH2 H 1 6.757 0.000 . 1 . . . . 39 TRP HH2 . 6794 1 447 . 1 1 31 31 TRP C C 13 173.033 0.024 . 1 . . . . 39 TRP C . 6794 1 448 . 1 1 31 31 TRP CA C 13 57.610 0.059 . 1 . . . . 39 TRP CA . 6794 1 449 . 1 1 31 31 TRP CB C 13 30.220 0.042 . 1 . . . . 39 TRP CB . 6794 1 450 . 1 1 31 31 TRP CD1 C 13 125.520 0.000 . 1 . . . . 39 TRP CD1 . 6794 1 451 . 1 1 31 31 TRP CE3 C 13 120.286 0.000 . 1 . . . . 39 TRP CE3 . 6794 1 452 . 1 1 31 31 TRP CZ2 C 13 114.809 0.000 . 1 . . . . 39 TRP CZ2 . 6794 1 453 . 1 1 31 31 TRP CZ3 C 13 121.572 0.000 . 1 . . . . 39 TRP CZ3 . 6794 1 454 . 1 1 31 31 TRP CH2 C 13 124.143 0.000 . 1 . . . . 39 TRP CH2 . 6794 1 455 . 1 1 31 31 TRP N N 15 120.245 0.012 . 1 . . . . 39 TRP N . 6794 1 456 . 1 1 31 31 TRP NE1 N 15 129.175 0.000 . 1 . . . . 39 TRP NE1 . 6794 1 457 . 1 1 32 32 THR H H 1 9.100 0.000 . 1 . . . . 40 THR H . 6794 1 458 . 1 1 32 32 THR HA H 1 4.571 0.000 . 1 . . . . 40 THR HA . 6794 1 459 . 1 1 32 32 THR HB H 1 4.077 0.003 . 1 . . . . 40 THR HB . 6794 1 460 . 1 1 32 32 THR HG21 H 1 1.021 0.001 . 1 . . . . 40 THR HG2 . 6794 1 461 . 1 1 32 32 THR HG22 H 1 1.021 0.001 . 1 . . . . 40 THR HG2 . 6794 1 462 . 1 1 32 32 THR HG23 H 1 1.021 0.001 . 1 . . . . 40 THR HG2 . 6794 1 463 . 1 1 32 32 THR C C 13 176.183 0.004 . 1 . . . . 40 THR C . 6794 1 464 . 1 1 32 32 THR CA C 13 59.539 0.031 . 1 . . . . 40 THR CA . 6794 1 465 . 1 1 32 32 THR CB C 13 68.704 0.076 . 1 . . . . 40 THR CB . 6794 1 466 . 1 1 32 32 THR CG2 C 13 20.405 0.063 . 1 . . . . 40 THR CG2 . 6794 1 467 . 1 1 32 32 THR N N 15 116.392 0.030 . 1 . . . . 40 THR N . 6794 1 468 . 1 1 33 33 ARG H H 1 8.016 0.000 . 1 . . . . 41 ARG H . 6794 1 469 . 1 1 33 33 ARG HA H 1 5.155 0.000 . 1 . . . . 41 ARG HA . 6794 1 470 . 1 1 33 33 ARG HB2 H 1 1.210 0.005 . 2 . . . . 41 ARG HB2 . 6794 1 471 . 1 1 33 33 ARG HB3 H 1 1.648 0.009 . 2 . . . . 41 ARG HB3 . 6794 1 472 . 1 1 33 33 ARG HG2 H 1 1.987 0.011 . 2 . . . . 41 ARG HG2 . 6794 1 473 . 1 1 33 33 ARG HG3 H 1 1.754 0.002 . 2 . . . . 41 ARG HG3 . 6794 1 474 . 1 1 33 33 ARG HD2 H 1 2.351 0.010 . 2 . . . . 41 ARG HD2 . 6794 1 475 . 1 1 33 33 ARG HD3 H 1 2.417 0.000 . 2 . . . . 41 ARG HD3 . 6794 1 476 . 1 1 33 33 ARG HE H 1 7.441 0.000 . 1 . . . . 41 ARG HE . 6794 1 477 . 1 1 33 33 ARG C C 13 172.534 0.002 . 1 . . . . 41 ARG C . 6794 1 478 . 1 1 33 33 ARG CA C 13 54.528 0.039 . 1 . . . . 41 ARG CA . 6794 1 479 . 1 1 33 33 ARG CB C 13 34.675 0.028 . 1 . . . . 41 ARG CB . 6794 1 480 . 1 1 33 33 ARG CG C 13 26.021 0.072 . 1 . . . . 41 ARG CG . 6794 1 481 . 1 1 33 33 ARG CD C 13 44.860 0.014 . 1 . . . . 41 ARG CD . 6794 1 482 . 1 1 33 33 ARG N N 15 123.510 0.045 . 1 . . . . 41 ARG N . 6794 1 483 . 1 1 33 33 ARG NE N 15 83.819 0.000 . 1 . . . . 41 ARG NE . 6794 1 484 . 1 1 34 34 VAL H H 1 8.659 0.002 . 1 . . . . 42 VAL H . 6794 1 485 . 1 1 34 34 VAL HA H 1 3.469 0.002 . 1 . . . . 42 VAL HA . 6794 1 486 . 1 1 34 34 VAL HB H 1 2.028 0.006 . 1 . . . . 42 VAL HB . 6794 1 487 . 1 1 34 34 VAL HG11 H 1 0.910 0.015 . 2 . . . . 42 VAL HG1 . 6794 1 488 . 1 1 34 34 VAL HG12 H 1 0.910 0.015 . 2 . . . . 42 VAL HG1 . 6794 1 489 . 1 1 34 34 VAL HG13 H 1 0.910 0.015 . 2 . . . . 42 VAL HG1 . 6794 1 490 . 1 1 34 34 VAL HG21 H 1 0.952 0.008 . 2 . . . . 42 VAL HG2 . 6794 1 491 . 1 1 34 34 VAL HG22 H 1 0.952 0.008 . 2 . . . . 42 VAL HG2 . 6794 1 492 . 1 1 34 34 VAL HG23 H 1 0.952 0.008 . 2 . . . . 42 VAL HG2 . 6794 1 493 . 1 1 34 34 VAL C C 13 171.020 0.018 . 1 . . . . 42 VAL C . 6794 1 494 . 1 1 34 34 VAL CA C 13 66.671 0.023 . 1 . . . . 42 VAL CA . 6794 1 495 . 1 1 34 34 VAL CB C 13 31.787 0.051 . 1 . . . . 42 VAL CB . 6794 1 496 . 1 1 34 34 VAL CG1 C 13 22.937 0.115 . 2 . . . . 42 VAL CG1 . 6794 1 497 . 1 1 34 34 VAL CG2 C 13 20.769 0.025 . 2 . . . . 42 VAL CG2 . 6794 1 498 . 1 1 34 34 VAL N N 15 128.229 0.040 . 1 . . . . 42 VAL N . 6794 1 499 . 1 1 35 35 GLY H H 1 8.403 0.007 . 1 . . . . 43 GLY H . 6794 1 500 . 1 1 35 35 GLY HA2 H 1 4.407 0.005 . 2 . . . . 43 GLY HA2 . 6794 1 501 . 1 1 35 35 GLY HA3 H 1 3.643 0.006 . 2 . . . . 43 GLY HA3 . 6794 1 502 . 1 1 35 35 GLY C C 13 172.599 0.001 . 1 . . . . 43 GLY C . 6794 1 503 . 1 1 35 35 GLY CA C 13 45.192 0.023 . 1 . . . . 43 GLY CA . 6794 1 504 . 1 1 35 35 GLY N N 15 115.887 0.038 . 1 . . . . 43 GLY N . 6794 1 505 . 1 1 36 36 PHE H H 1 8.626 0.010 . 1 . . . . 44 PHE H . 6794 1 506 . 1 1 36 36 PHE HA H 1 4.500 0.000 . 1 . . . . 44 PHE HA . 6794 1 507 . 1 1 36 36 PHE HB2 H 1 3.482 0.007 . 2 . . . . 44 PHE HB2 . 6794 1 508 . 1 1 36 36 PHE HB3 H 1 2.973 0.003 . 2 . . . . 44 PHE HB3 . 6794 1 509 . 1 1 36 36 PHE HD1 H 1 7.264 0.014 . 1 . . . . 44 PHE HD1 . 6794 1 510 . 1 1 36 36 PHE HD2 H 1 7.264 0.014 . 1 . . . . 44 PHE HD2 . 6794 1 511 . 1 1 36 36 PHE HE1 H 1 7.184 0.000 . 1 . . . . 44 PHE HE1 . 6794 1 512 . 1 1 36 36 PHE HE2 H 1 7.184 0.000 . 1 . . . . 44 PHE HE2 . 6794 1 513 . 1 1 36 36 PHE C C 13 173.007 0.000 . 1 . . . . 44 PHE C . 6794 1 514 . 1 1 36 36 PHE CA C 13 57.077 0.074 . 1 . . . . 44 PHE CA . 6794 1 515 . 1 1 36 36 PHE CB C 13 39.948 0.090 . 1 . . . . 44 PHE CB . 6794 1 516 . 1 1 36 36 PHE CD1 C 13 132.052 0.000 . 1 . . . . 44 PHE CD1 . 6794 1 517 . 1 1 36 36 PHE CD2 C 13 132.052 0.000 . 1 . . . . 44 PHE CD2 . 6794 1 518 . 1 1 36 36 PHE N N 15 120.078 0.033 . 1 . . . . 44 PHE N . 6794 1 519 . 1 1 37 37 VAL H H 1 7.787 0.000 . 1 . . . . 45 VAL H . 6794 1 520 . 1 1 37 37 VAL HA H 1 3.722 0.000 . 1 . . . . 45 VAL HA . 6794 1 521 . 1 1 37 37 VAL HB H 1 2.040 0.009 . 1 . . . . 45 VAL HB . 6794 1 522 . 1 1 37 37 VAL HG11 H 1 0.860 0.004 . 1 . . . . 45 VAL HG1 . 6794 1 523 . 1 1 37 37 VAL HG12 H 1 0.860 0.004 . 1 . . . . 45 VAL HG1 . 6794 1 524 . 1 1 37 37 VAL HG13 H 1 0.860 0.004 . 1 . . . . 45 VAL HG1 . 6794 1 525 . 1 1 37 37 VAL HG21 H 1 1.019 0.003 . 1 . . . . 45 VAL HG2 . 6794 1 526 . 1 1 37 37 VAL HG22 H 1 1.019 0.003 . 1 . . . . 45 VAL HG2 . 6794 1 527 . 1 1 37 37 VAL HG23 H 1 1.019 0.003 . 1 . . . . 45 VAL HG2 . 6794 1 528 . 1 1 37 37 VAL C C 13 169.835 0.006 . 1 . . . . 45 VAL C . 6794 1 529 . 1 1 37 37 VAL CA C 13 65.135 0.019 . 1 . . . . 45 VAL CA . 6794 1 530 . 1 1 37 37 VAL CB C 13 31.061 0.041 . 1 . . . . 45 VAL CB . 6794 1 531 . 1 1 37 37 VAL CG1 C 13 21.498 0.010 . 2 . . . . 45 VAL CG1 . 6794 1 532 . 1 1 37 37 VAL CG2 C 13 22.204 0.083 . 2 . . . . 45 VAL CG2 . 6794 1 533 . 1 1 37 37 VAL N N 15 120.557 0.033 . 1 . . . . 45 VAL N . 6794 1 534 . 1 1 38 38 GLY H H 1 8.869 0.000 . 1 . . . . 46 GLY H . 6794 1 535 . 1 1 38 38 GLY HA2 H 1 4.200 0.000 . 2 . . . . 46 GLY HA2 . 6794 1 536 . 1 1 38 38 GLY HA3 H 1 3.694 0.000 . 2 . . . . 46 GLY HA3 . 6794 1 537 . 1 1 38 38 GLY C C 13 173.904 0.002 . 1 . . . . 46 GLY C . 6794 1 538 . 1 1 38 38 GLY CA C 13 45.283 0.063 . 1 . . . . 46 GLY CA . 6794 1 539 . 1 1 38 38 GLY N N 15 115.898 0.032 . 1 . . . . 46 GLY N . 6794 1 540 . 1 1 39 39 LYS H H 1 8.084 0.000 . 1 . . . . 47 LYS H . 6794 1 541 . 1 1 39 39 LYS HA H 1 4.603 0.000 . 1 . . . . 47 LYS HA . 6794 1 542 . 1 1 39 39 LYS HB2 H 1 2.189 0.006 . 2 . . . . 47 LYS HB2 . 6794 1 543 . 1 1 39 39 LYS HB3 H 1 2.100 0.004 . 2 . . . . 47 LYS HB3 . 6794 1 544 . 1 1 39 39 LYS HG2 H 1 1.325 0.003 . 2 . . . . 47 LYS HG2 . 6794 1 545 . 1 1 39 39 LYS HG3 H 1 1.453 0.008 . 2 . . . . 47 LYS HG3 . 6794 1 546 . 1 1 39 39 LYS HD2 H 1 1.780 0.002 . 2 . . . . 47 LYS HD2 . 6794 1 547 . 1 1 39 39 LYS HD3 H 1 1.666 0.006 . 2 . . . . 47 LYS HD3 . 6794 1 548 . 1 1 39 39 LYS HE2 H 1 3.006 0.003 . 2 . . . . 47 LYS HE2 . 6794 1 549 . 1 1 39 39 LYS HE3 H 1 3.005 0.003 . 2 . . . . 47 LYS HE3 . 6794 1 550 . 1 1 39 39 LYS C C 13 171.835 0.013 . 1 . . . . 47 LYS C . 6794 1 551 . 1 1 39 39 LYS CA C 13 55.161 0.034 . 1 . . . . 47 LYS CA . 6794 1 552 . 1 1 39 39 LYS CB C 13 33.702 0.082 . 1 . . . . 47 LYS CB . 6794 1 553 . 1 1 39 39 LYS CG C 13 25.239 0.068 . 1 . . . . 47 LYS CG . 6794 1 554 . 1 1 39 39 LYS CD C 13 28.896 0.061 . 1 . . . . 47 LYS CD . 6794 1 555 . 1 1 39 39 LYS CE C 13 42.292 0.025 . 1 . . . . 47 LYS CE . 6794 1 556 . 1 1 39 39 LYS N N 15 119.658 0.026 . 1 . . . . 47 LYS N . 6794 1 557 . 1 1 40 40 ASP H H 1 8.520 0.000 . 1 . . . . 48 ASP H . 6794 1 558 . 1 1 40 40 ASP HA H 1 4.640 0.000 . 1 . . . . 48 ASP HA . 6794 1 559 . 1 1 40 40 ASP HB2 H 1 2.796 0.005 . 2 . . . . 48 ASP HB2 . 6794 1 560 . 1 1 40 40 ASP HB3 H 1 2.734 0.006 . 2 . . . . 48 ASP HB3 . 6794 1 561 . 1 1 40 40 ASP C C 13 171.856 0.010 . 1 . . . . 48 ASP C . 6794 1 562 . 1 1 40 40 ASP CA C 13 55.523 0.045 . 1 . . . . 48 ASP CA . 6794 1 563 . 1 1 40 40 ASP CB C 13 41.447 0.056 . 1 . . . . 48 ASP CB . 6794 1 564 . 1 1 40 40 ASP N N 15 118.924 0.020 . 1 . . . . 48 ASP N . 6794 1 565 . 1 1 41 41 VAL H H 1 7.626 0.000 . 1 . . . . 49 VAL H . 6794 1 566 . 1 1 41 41 VAL HA H 1 4.304 0.000 . 1 . . . . 49 VAL HA . 6794 1 567 . 1 1 41 41 VAL HB H 1 2.182 0.004 . 1 . . . . 49 VAL HB . 6794 1 568 . 1 1 41 41 VAL HG11 H 1 1.054 0.003 . 1 . . . . 49 VAL HG1 . 6794 1 569 . 1 1 41 41 VAL HG12 H 1 1.054 0.003 . 1 . . . . 49 VAL HG1 . 6794 1 570 . 1 1 41 41 VAL HG13 H 1 1.054 0.003 . 1 . . . . 49 VAL HG1 . 6794 1 571 . 1 1 41 41 VAL HG21 H 1 1.145 0.001 . 1 . . . . 49 VAL HG2 . 6794 1 572 . 1 1 41 41 VAL HG22 H 1 1.145 0.001 . 1 . . . . 49 VAL HG2 . 6794 1 573 . 1 1 41 41 VAL HG23 H 1 1.145 0.001 . 1 . . . . 49 VAL HG2 . 6794 1 574 . 1 1 41 41 VAL C C 13 172.147 0.002 . 1 . . . . 49 VAL C . 6794 1 575 . 1 1 41 41 VAL CA C 13 62.082 0.065 . 1 . . . . 49 VAL CA . 6794 1 576 . 1 1 41 41 VAL CB C 13 33.360 0.094 . 1 . . . . 49 VAL CB . 6794 1 577 . 1 1 41 41 VAL CG1 C 13 21.543 0.005 . 2 . . . . 49 VAL CG1 . 6794 1 578 . 1 1 41 41 VAL CG2 C 13 20.953 0.017 . 2 . . . . 49 VAL CG2 . 6794 1 579 . 1 1 41 41 VAL N N 15 119.154 0.027 . 1 . . . . 49 VAL N . 6794 1 580 . 1 1 42 42 LEU H H 1 8.839 0.006 . 1 . . . . 50 LEU H . 6794 1 581 . 1 1 42 42 LEU HA H 1 4.253 0.004 . 1 . . . . 50 LEU HA . 6794 1 582 . 1 1 42 42 LEU HB2 H 1 1.564 0.002 . 2 . . . . 50 LEU HB2 . 6794 1 583 . 1 1 42 42 LEU HB3 H 1 1.076 0.005 . 2 . . . . 50 LEU HB3 . 6794 1 584 . 1 1 42 42 LEU HG H 1 1.663 0.003 . 1 . . . . 50 LEU HG . 6794 1 585 . 1 1 42 42 LEU HD11 H 1 0.871 0.001 . 1 . . . . 50 LEU HD1 . 6794 1 586 . 1 1 42 42 LEU HD12 H 1 0.871 0.001 . 1 . . . . 50 LEU HD1 . 6794 1 587 . 1 1 42 42 LEU HD13 H 1 0.871 0.001 . 1 . . . . 50 LEU HD1 . 6794 1 588 . 1 1 42 42 LEU HD21 H 1 0.882 0.000 . 1 . . . . 50 LEU HD2 . 6794 1 589 . 1 1 42 42 LEU HD22 H 1 0.882 0.000 . 1 . . . . 50 LEU HD2 . 6794 1 590 . 1 1 42 42 LEU HD23 H 1 0.882 0.000 . 1 . . . . 50 LEU HD2 . 6794 1 591 . 1 1 42 42 LEU C C 13 173.132 0.017 . 1 . . . . 50 LEU C . 6794 1 592 . 1 1 42 42 LEU CA C 13 54.093 0.035 . 1 . . . . 50 LEU CA . 6794 1 593 . 1 1 42 42 LEU CB C 13 42.130 0.069 . 1 . . . . 50 LEU CB . 6794 1 594 . 1 1 42 42 LEU CG C 13 27.269 0.026 . 1 . . . . 50 LEU CG . 6794 1 595 . 1 1 42 42 LEU CD1 C 13 25.947 0.053 . 2 . . . . 50 LEU CD1 . 6794 1 596 . 1 1 42 42 LEU CD2 C 13 24.033 0.102 . 2 . . . . 50 LEU CD2 . 6794 1 597 . 1 1 42 42 LEU N N 15 124.963 0.024 . 1 . . . . 50 LEU N . 6794 1 598 . 1 1 43 43 SER H H 1 6.736 0.000 . 1 . . . . 51 SER H . 6794 1 599 . 1 1 43 43 SER HA H 1 4.580 0.000 . 1 . . . . 51 SER HA . 6794 1 600 . 1 1 43 43 SER HB2 H 1 4.065 0.000 . 2 . . . . 51 SER HB2 . 6794 1 601 . 1 1 43 43 SER HB3 H 1 3.644 0.003 . 2 . . . . 51 SER HB3 . 6794 1 602 . 1 1 43 43 SER C C 13 176.051 0.001 . 1 . . . . 51 SER C . 6794 1 603 . 1 1 43 43 SER CA C 13 58.392 0.076 . 1 . . . . 51 SER CA . 6794 1 604 . 1 1 43 43 SER CB C 13 64.594 0.018 . 1 . . . . 51 SER CB . 6794 1 605 . 1 1 43 43 SER N N 15 114.103 0.034 . 1 . . . . 51 SER N . 6794 1 606 . 1 1 44 44 ASP H H 1 8.908 0.000 . 1 . . . . 52 ASP H . 6794 1 607 . 1 1 44 44 ASP HA H 1 4.724 0.000 . 1 . . . . 52 ASP HA . 6794 1 608 . 1 1 44 44 ASP HB2 H 1 3.307 0.001 . 2 . . . . 52 ASP HB2 . 6794 1 609 . 1 1 44 44 ASP HB3 H 1 2.870 0.006 . 2 . . . . 52 ASP HB3 . 6794 1 610 . 1 1 44 44 ASP C C 13 172.640 0.006 . 1 . . . . 52 ASP C . 6794 1 611 . 1 1 44 44 ASP CA C 13 52.813 0.030 . 1 . . . . 52 ASP CA . 6794 1 612 . 1 1 44 44 ASP CB C 13 42.630 0.056 . 1 . . . . 52 ASP CB . 6794 1 613 . 1 1 44 44 ASP N N 15 123.466 0.055 . 1 . . . . 52 ASP N . 6794 1 614 . 1 1 45 45 GLU H H 1 8.598 0.000 . 1 . . . . 53 GLU H . 6794 1 615 . 1 1 45 45 GLU HA H 1 4.019 0.000 . 1 . . . . 53 GLU HA . 6794 1 616 . 1 1 45 45 GLU HB2 H 1 2.019 0.003 . 1 . . . . 53 GLU HB2 . 6794 1 617 . 1 1 45 45 GLU HB3 H 1 2.019 0.003 . 1 . . . . 53 GLU HB3 . 6794 1 618 . 1 1 45 45 GLU HG2 H 1 2.285 0.003 . 1 . . . . 53 GLU HG2 . 6794 1 619 . 1 1 45 45 GLU HG3 H 1 2.285 0.003 . 1 . . . . 53 GLU HG3 . 6794 1 620 . 1 1 45 45 GLU C C 13 172.141 0.007 . 1 . . . . 53 GLU C . 6794 1 621 . 1 1 45 45 GLU CA C 13 58.607 0.057 . 1 . . . . 53 GLU CA . 6794 1 622 . 1 1 45 45 GLU CB C 13 29.234 0.096 . 1 . . . . 53 GLU CB . 6794 1 623 . 1 1 45 45 GLU CG C 13 36.272 0.034 . 1 . . . . 53 GLU CG . 6794 1 624 . 1 1 45 45 GLU N N 15 115.570 0.021 . 1 . . . . 53 GLU N . 6794 1 625 . 1 1 46 46 ILE H H 1 7.595 0.000 . 1 . . . . 54 ILE H . 6794 1 626 . 1 1 46 46 ILE HA H 1 3.813 0.000 . 1 . . . . 54 ILE HA . 6794 1 627 . 1 1 46 46 ILE HB H 1 1.762 0.002 . 1 . . . . 54 ILE HB . 6794 1 628 . 1 1 46 46 ILE HG12 H 1 1.061 0.005 . 2 . . . . 54 ILE HG12 . 6794 1 629 . 1 1 46 46 ILE HG13 H 1 1.480 0.003 . 2 . . . . 54 ILE HG13 . 6794 1 630 . 1 1 46 46 ILE HG21 H 1 0.295 0.004 . 1 . . . . 54 ILE HG2 . 6794 1 631 . 1 1 46 46 ILE HG22 H 1 0.295 0.004 . 1 . . . . 54 ILE HG2 . 6794 1 632 . 1 1 46 46 ILE HG23 H 1 0.295 0.004 . 1 . . . . 54 ILE HG2 . 6794 1 633 . 1 1 46 46 ILE HD11 H 1 0.750 0.004 . 1 . . . . 54 ILE HD1 . 6794 1 634 . 1 1 46 46 ILE HD12 H 1 0.750 0.004 . 1 . . . . 54 ILE HD1 . 6794 1 635 . 1 1 46 46 ILE HD13 H 1 0.750 0.004 . 1 . . . . 54 ILE HD1 . 6794 1 636 . 1 1 46 46 ILE C C 13 172.171 0.010 . 1 . . . . 54 ILE C . 6794 1 637 . 1 1 46 46 ILE CA C 13 62.768 0.020 . 1 . . . . 54 ILE CA . 6794 1 638 . 1 1 46 46 ILE CB C 13 38.098 0.035 . 1 . . . . 54 ILE CB . 6794 1 639 . 1 1 46 46 ILE CG1 C 13 27.842 0.042 . 1 . . . . 54 ILE CG1 . 6794 1 640 . 1 1 46 46 ILE CG2 C 13 17.506 0.015 . 1 . . . . 54 ILE CG2 . 6794 1 641 . 1 1 46 46 ILE CD1 C 13 11.837 0.001 . 1 . . . . 54 ILE CD1 . 6794 1 642 . 1 1 46 46 ILE N N 15 115.364 0.028 . 1 . . . . 54 ILE N . 6794 1 643 . 1 1 47 47 LEU H H 1 8.293 0.005 . 1 . . . . 55 LEU H . 6794 1 644 . 1 1 47 47 LEU HA H 1 4.636 0.004 . 1 . . . . 55 LEU HA . 6794 1 645 . 1 1 47 47 LEU HB2 H 1 1.593 0.009 . 2 . . . . 55 LEU HB2 . 6794 1 646 . 1 1 47 47 LEU HB3 H 1 0.877 0.009 . 2 . . . . 55 LEU HB3 . 6794 1 647 . 1 1 47 47 LEU HG H 1 1.486 0.006 . 1 . . . . 55 LEU HG . 6794 1 648 . 1 1 47 47 LEU HD11 H 1 0.694 0.005 . 1 . . . . 55 LEU HD1 . 6794 1 649 . 1 1 47 47 LEU HD12 H 1 0.694 0.005 . 1 . . . . 55 LEU HD1 . 6794 1 650 . 1 1 47 47 LEU HD13 H 1 0.694 0.005 . 1 . . . . 55 LEU HD1 . 6794 1 651 . 1 1 47 47 LEU HD21 H 1 0.676 0.005 . 1 . . . . 55 LEU HD2 . 6794 1 652 . 1 1 47 47 LEU HD22 H 1 0.676 0.005 . 1 . . . . 55 LEU HD2 . 6794 1 653 . 1 1 47 47 LEU HD23 H 1 0.676 0.005 . 1 . . . . 55 LEU HD2 . 6794 1 654 . 1 1 47 47 LEU C C 13 173.427 0.003 . 1 . . . . 55 LEU C . 6794 1 655 . 1 1 47 47 LEU CA C 13 53.868 0.050 . 1 . . . . 55 LEU CA . 6794 1 656 . 1 1 47 47 LEU CB C 13 46.088 0.072 . 1 . . . . 55 LEU CB . 6794 1 657 . 1 1 47 47 LEU CG C 13 26.035 0.000 . 1 . . . . 55 LEU CG . 6794 1 658 . 1 1 47 47 LEU CD1 C 13 24.120 0.016 . 2 . . . . 55 LEU CD1 . 6794 1 659 . 1 1 47 47 LEU CD2 C 13 27.267 0.034 . 2 . . . . 55 LEU CD2 . 6794 1 660 . 1 1 47 47 LEU N N 15 118.938 0.016 . 1 . . . . 55 LEU N . 6794 1 661 . 1 1 48 48 GLU H H 1 8.433 0.005 . 1 . . . . 56 GLU H . 6794 1 662 . 1 1 48 48 GLU HA H 1 4.552 0.004 . 1 . . . . 56 GLU HA . 6794 1 663 . 1 1 48 48 GLU HB2 H 1 1.923 0.002 . 2 . . . . 56 GLU HB2 . 6794 1 664 . 1 1 48 48 GLU HB3 H 1 2.173 0.003 . 2 . . . . 56 GLU HB3 . 6794 1 665 . 1 1 48 48 GLU HG2 H 1 2.216 0.004 . 2 . . . . 56 GLU HG2 . 6794 1 666 . 1 1 48 48 GLU HG3 H 1 1.969 0.001 . 2 . . . . 56 GLU HG3 . 6794 1 667 . 1 1 48 48 GLU C C 13 172.199 0.011 . 1 . . . . 56 GLU C . 6794 1 668 . 1 1 48 48 GLU CA C 13 55.413 0.079 . 1 . . . . 56 GLU CA . 6794 1 669 . 1 1 48 48 GLU CB C 13 30.302 0.045 . 1 . . . . 56 GLU CB . 6794 1 670 . 1 1 48 48 GLU CG C 13 36.546 0.010 . 1 . . . . 56 GLU CG . 6794 1 671 . 1 1 48 48 GLU N N 15 124.444 0.009 . 1 . . . . 56 GLU N . 6794 1 672 . 1 1 49 49 VAL H H 1 8.457 0.000 . 1 . . . . 57 VAL H . 6794 1 673 . 1 1 49 49 VAL HA H 1 4.841 0.000 . 1 . . . . 57 VAL HA . 6794 1 674 . 1 1 49 49 VAL HB H 1 1.565 0.006 . 1 . . . . 57 VAL HB . 6794 1 675 . 1 1 49 49 VAL HG11 H 1 0.534 0.002 . 1 . . . . 57 VAL HG1 . 6794 1 676 . 1 1 49 49 VAL HG12 H 1 0.534 0.002 . 1 . . . . 57 VAL HG1 . 6794 1 677 . 1 1 49 49 VAL HG13 H 1 0.534 0.002 . 1 . . . . 57 VAL HG1 . 6794 1 678 . 1 1 49 49 VAL HG21 H 1 0.620 0.003 . 1 . . . . 57 VAL HG2 . 6794 1 679 . 1 1 49 49 VAL HG22 H 1 0.620 0.003 . 1 . . . . 57 VAL HG2 . 6794 1 680 . 1 1 49 49 VAL HG23 H 1 0.620 0.003 . 1 . . . . 57 VAL HG2 . 6794 1 681 . 1 1 49 49 VAL C C 13 174.548 0.011 . 1 . . . . 57 VAL C . 6794 1 682 . 1 1 49 49 VAL CA C 13 61.142 0.038 . 1 . . . . 57 VAL CA . 6794 1 683 . 1 1 49 49 VAL CB C 13 34.936 0.084 . 1 . . . . 57 VAL CB . 6794 1 684 . 1 1 49 49 VAL CG1 C 13 21.354 0.068 . 2 . . . . 57 VAL CG1 . 6794 1 685 . 1 1 49 49 VAL CG2 C 13 23.187 0.047 . 2 . . . . 57 VAL CG2 . 6794 1 686 . 1 1 49 49 VAL N N 15 127.203 0.013 . 1 . . . . 57 VAL N . 6794 1 687 . 1 1 50 50 VAL H H 1 8.606 0.000 . 1 . . . . 58 VAL H . 6794 1 688 . 1 1 50 50 VAL HA H 1 4.267 0.000 . 1 . . . . 58 VAL HA . 6794 1 689 . 1 1 50 50 VAL HB H 1 1.913 0.004 . 1 . . . . 58 VAL HB . 6794 1 690 . 1 1 50 50 VAL HG11 H 1 0.937 0.003 . 1 . . . . 58 VAL HG1 . 6794 1 691 . 1 1 50 50 VAL HG12 H 1 0.937 0.003 . 1 . . . . 58 VAL HG1 . 6794 1 692 . 1 1 50 50 VAL HG13 H 1 0.937 0.003 . 1 . . . . 58 VAL HG1 . 6794 1 693 . 1 1 50 50 VAL HG21 H 1 0.937 0.003 . 1 . . . . 58 VAL HG2 . 6794 1 694 . 1 1 50 50 VAL HG22 H 1 0.937 0.003 . 1 . . . . 58 VAL HG2 . 6794 1 695 . 1 1 50 50 VAL HG23 H 1 0.937 0.003 . 1 . . . . 58 VAL HG2 . 6794 1 696 . 1 1 50 50 VAL C C 13 173.935 0.020 . 1 . . . . 58 VAL C . 6794 1 697 . 1 1 50 50 VAL CA C 13 61.139 0.037 . 1 . . . . 58 VAL CA . 6794 1 698 . 1 1 50 50 VAL CB C 13 35.579 0.062 . 1 . . . . 58 VAL CB . 6794 1 699 . 1 1 50 50 VAL CG1 C 13 20.981 0.022 . 2 . . . . 58 VAL CG1 . 6794 1 700 . 1 1 50 50 VAL CG2 C 13 20.978 0.020 . 2 . . . . 58 VAL CG2 . 6794 1 701 . 1 1 50 50 VAL N N 15 125.867 0.022 . 1 . . . . 58 VAL N . 6794 1 702 . 1 1 51 51 CYS H H 1 9.139 0.008 . 1 . . . . 59 CYS H . 6794 1 703 . 1 1 51 51 CYS HA H 1 5.358 0.000 . 1 . . . . 59 CYS HA . 6794 1 704 . 1 1 51 51 CYS HB2 H 1 2.988 0.004 . 2 . . . . 59 CYS HB2 . 6794 1 705 . 1 1 51 51 CYS HB3 H 1 2.386 0.007 . 2 . . . . 59 CYS HB3 . 6794 1 706 . 1 1 51 51 CYS C C 13 174.768 0.007 . 1 . . . . 59 CYS C . 6794 1 707 . 1 1 51 51 CYS CA C 13 56.938 0.036 . 1 . . . . 59 CYS CA . 6794 1 708 . 1 1 51 51 CYS CB C 13 28.388 0.057 . 1 . . . . 59 CYS CB . 6794 1 709 . 1 1 51 51 CYS N N 15 126.918 0.043 . 1 . . . . 59 CYS N . 6794 1 710 . 1 1 52 52 LYS H H 1 9.036 0.005 . 1 . . . . 60 LYS H . 6794 1 711 . 1 1 52 52 LYS HA H 1 4.877 0.000 . 1 . . . . 60 LYS HA . 6794 1 712 . 1 1 52 52 LYS HB2 H 1 1.697 0.003 . 2 . . . . 60 LYS HB2 . 6794 1 713 . 1 1 52 52 LYS HB3 H 1 1.789 0.006 . 2 . . . . 60 LYS HB3 . 6794 1 714 . 1 1 52 52 LYS HG2 H 1 1.345 0.002 . 1 . . . . 60 LYS HG2 . 6794 1 715 . 1 1 52 52 LYS HG3 H 1 1.345 0.002 . 1 . . . . 60 LYS HG3 . 6794 1 716 . 1 1 52 52 LYS HD2 H 1 1.634 0.002 . 1 . . . . 60 LYS HD2 . 6794 1 717 . 1 1 52 52 LYS HD3 H 1 1.634 0.002 . 1 . . . . 60 LYS HD3 . 6794 1 718 . 1 1 52 52 LYS HE2 H 1 2.879 0.003 . 1 . . . . 60 LYS HE2 . 6794 1 719 . 1 1 52 52 LYS HE3 H 1 2.879 0.003 . 1 . . . . 60 LYS HE3 . 6794 1 720 . 1 1 52 52 LYS C C 13 173.263 0.010 . 1 . . . . 60 LYS C . 6794 1 721 . 1 1 52 52 LYS CA C 13 54.993 0.077 . 1 . . . . 60 LYS CA . 6794 1 722 . 1 1 52 52 LYS CB C 13 36.086 0.061 . 1 . . . . 60 LYS CB . 6794 1 723 . 1 1 52 52 LYS CG C 13 24.435 0.009 . 1 . . . . 60 LYS CG . 6794 1 724 . 1 1 52 52 LYS CD C 13 29.273 0.070 . 1 . . . . 60 LYS CD . 6794 1 725 . 1 1 52 52 LYS CE C 13 42.126 0.000 . 1 . . . . 60 LYS CE . 6794 1 726 . 1 1 52 52 LYS N N 15 127.870 0.038 . 1 . . . . 60 LYS N . 6794 1 727 . 1 1 53 53 TYR H H 1 9.078 0.005 . 1 . . . . 61 TYR H . 6794 1 728 . 1 1 53 53 TYR HA H 1 4.384 0.000 . 1 . . . . 61 TYR HA . 6794 1 729 . 1 1 53 53 TYR HB2 H 1 2.605 0.007 . 2 . . . . 61 TYR HB2 . 6794 1 730 . 1 1 53 53 TYR HB3 H 1 2.441 0.009 . 2 . . . . 61 TYR HB3 . 6794 1 731 . 1 1 53 53 TYR HD1 H 1 6.162 0.000 . 1 . . . . 61 TYR HD1 . 6794 1 732 . 1 1 53 53 TYR HD2 H 1 6.162 0.000 . 1 . . . . 61 TYR HD2 . 6794 1 733 . 1 1 53 53 TYR HE1 H 1 6.472 0.000 . 1 . . . . 61 TYR HE1 . 6794 1 734 . 1 1 53 53 TYR HE2 H 1 6.472 0.000 . 1 . . . . 61 TYR HE2 . 6794 1 735 . 1 1 53 53 TYR C C 13 172.983 0.037 . 1 . . . . 61 TYR C . 6794 1 736 . 1 1 53 53 TYR CA C 13 58.013 0.029 . 1 . . . . 61 TYR CA . 6794 1 737 . 1 1 53 53 TYR CB C 13 38.986 0.079 . 1 . . . . 61 TYR CB . 6794 1 738 . 1 1 53 53 TYR CD1 C 13 133.069 0.000 . 1 . . . . 61 TYR CD1 . 6794 1 739 . 1 1 53 53 TYR CD2 C 13 133.069 0.000 . 1 . . . . 61 TYR CD2 . 6794 1 740 . 1 1 53 53 TYR CE1 C 13 117.416 0.000 . 1 . . . . 61 TYR CE1 . 6794 1 741 . 1 1 53 53 TYR CE2 C 13 117.416 0.000 . 1 . . . . 61 TYR CE2 . 6794 1 742 . 1 1 53 53 TYR N N 15 127.341 0.033 . 1 . . . . 61 TYR N . 6794 1 743 . 1 1 54 54 THR H H 1 8.452 0.000 . 1 . . . . 62 THR H . 6794 1 744 . 1 1 54 54 THR HA H 1 4.457 0.000 . 1 . . . . 62 THR HA . 6794 1 745 . 1 1 54 54 THR HB H 1 3.749 0.003 . 1 . . . . 62 THR HB . 6794 1 746 . 1 1 54 54 THR HG21 H 1 0.987 0.000 . 1 . . . . 62 THR HG2 . 6794 1 747 . 1 1 54 54 THR HG22 H 1 0.987 0.000 . 1 . . . . 62 THR HG2 . 6794 1 748 . 1 1 54 54 THR HG23 H 1 0.987 0.000 . 1 . . . . 62 THR HG2 . 6794 1 749 . 1 1 54 54 THR C C 13 177.013 0.000 . 1 . . . . 62 THR C . 6794 1 750 . 1 1 54 54 THR CA C 13 58.084 0.038 . 1 . . . . 62 THR CA . 6794 1 751 . 1 1 54 54 THR CB C 13 70.912 0.043 . 1 . . . . 62 THR CB . 6794 1 752 . 1 1 54 54 THR N N 15 125.271 0.030 . 1 . . . . 62 THR N . 6794 1 753 . 1 1 55 55 PRO HA H 1 4.331 0.004 . 1 . . . . 63 PRO HA . 6794 1 754 . 1 1 55 55 PRO HB2 H 1 1.861 0.007 . 2 . . . . 63 PRO HB2 . 6794 1 755 . 1 1 55 55 PRO HB3 H 1 2.320 0.003 . 2 . . . . 63 PRO HB3 . 6794 1 756 . 1 1 55 55 PRO HG2 H 1 1.999 0.003 . 1 . . . . 63 PRO HG2 . 6794 1 757 . 1 1 55 55 PRO HG3 H 1 1.999 0.003 . 1 . . . . 63 PRO HG3 . 6794 1 758 . 1 1 55 55 PRO HD2 H 1 3.656 0.003 . 2 . . . . 63 PRO HD2 . 6794 1 759 . 1 1 55 55 PRO HD3 H 1 3.412 0.002 . 2 . . . . 63 PRO HD3 . 6794 1 760 . 1 1 55 55 PRO C C 13 171.579 0.001 . 1 . . . . 63 PRO C . 6794 1 761 . 1 1 55 55 PRO CA C 13 62.397 0.065 . 1 . . . . 63 PRO CA . 6794 1 762 . 1 1 55 55 PRO CB C 13 32.318 0.043 . 1 . . . . 63 PRO CB . 6794 1 763 . 1 1 55 55 PRO CG C 13 26.974 0.052 . 1 . . . . 63 PRO CG . 6794 1 764 . 1 1 55 55 PRO CD C 13 51.221 0.054 . 1 . . . . 63 PRO CD . 6794 1 765 . 1 1 56 56 THR H H 1 8.587 0.000 . 1 . . . . 64 THR H . 6794 1 766 . 1 1 56 56 THR HA H 1 4.451 0.000 . 1 . . . . 64 THR HA . 6794 1 767 . 1 1 56 56 THR HB H 1 4.008 0.008 . 1 . . . . 64 THR HB . 6794 1 768 . 1 1 56 56 THR HG21 H 1 1.177 0.002 . 1 . . . . 64 THR HG2 . 6794 1 769 . 1 1 56 56 THR HG22 H 1 1.177 0.002 . 1 . . . . 64 THR HG2 . 6794 1 770 . 1 1 56 56 THR HG23 H 1 1.177 0.002 . 1 . . . . 64 THR HG2 . 6794 1 771 . 1 1 56 56 THR C C 13 175.143 0.000 . 1 . . . . 64 THR C . 6794 1 772 . 1 1 56 56 THR CA C 13 60.085 0.039 . 1 . . . . 64 THR CA . 6794 1 773 . 1 1 56 56 THR CB C 13 69.811 0.013 . 1 . . . . 64 THR CB . 6794 1 774 . 1 1 56 56 THR CG2 C 13 21.582 0.048 . 1 . . . . 64 THR CG2 . 6794 1 775 . 1 1 56 56 THR N N 15 119.207 0.022 . 1 . . . . 64 THR N . 6794 1 776 . 1 1 57 57 PRO HA H 1 4.418 0.004 . 1 . . . . 65 PRO HA . 6794 1 777 . 1 1 57 57 PRO HB2 H 1 2.265 0.002 . 2 . . . . 65 PRO HB2 . 6794 1 778 . 1 1 57 57 PRO HB3 H 1 1.925 0.005 . 2 . . . . 65 PRO HB3 . 6794 1 779 . 1 1 57 57 PRO HG2 H 1 1.936 0.008 . 2 . . . . 65 PRO HG2 . 6794 1 780 . 1 1 57 57 PRO HG3 H 1 2.030 0.003 . 2 . . . . 65 PRO HG3 . 6794 1 781 . 1 1 57 57 PRO HD2 H 1 3.659 0.007 . 2 . . . . 65 PRO HD2 . 6794 1 782 . 1 1 57 57 PRO HD3 H 1 3.829 0.001 . 2 . . . . 65 PRO HD3 . 6794 1 783 . 1 1 57 57 PRO C C 13 171.340 0.000 . 1 . . . . 65 PRO C . 6794 1 784 . 1 1 57 57 PRO CA C 13 63.298 0.033 . 1 . . . . 65 PRO CA . 6794 1 785 . 1 1 57 57 PRO CB C 13 32.003 0.016 . 1 . . . . 65 PRO CB . 6794 1 786 . 1 1 57 57 PRO CG C 13 27.407 0.062 . 1 . . . . 65 PRO CG . 6794 1 787 . 1 1 57 57 PRO CD C 13 51.184 0.046 . 1 . . . . 65 PRO CD . 6794 1 788 . 1 1 58 58 SER H H 1 8.382 0.005 . 1 . . . . 66 SER H . 6794 1 789 . 1 1 58 58 SER HA H 1 4.509 0.000 . 1 . . . . 66 SER HA . 6794 1 790 . 1 1 58 58 SER HB2 H 1 3.821 0.002 . 2 . . . . 66 SER HB2 . 6794 1 791 . 1 1 58 58 SER HB3 H 1 3.931 0.001 . 2 . . . . 66 SER HB3 . 6794 1 792 . 1 1 58 58 SER C C 13 173.377 0.015 . 1 . . . . 66 SER C . 6794 1 793 . 1 1 58 58 SER CA C 13 58.087 0.048 . 1 . . . . 66 SER CA . 6794 1 794 . 1 1 58 58 SER CB C 13 64.344 0.038 . 1 . . . . 66 SER CB . 6794 1 795 . 1 1 58 58 SER N N 15 116.245 0.024 . 1 . . . . 66 SER N . 6794 1 796 . 1 1 59 59 SER H H 1 8.513 0.000 . 1 . . . . 67 SER H . 6794 1 797 . 1 1 59 59 SER HA H 1 4.433 0.000 . 1 . . . . 67 SER HA . 6794 1 798 . 1 1 59 59 SER HB2 H 1 3.984 0.005 . 2 . . . . 67 SER HB2 . 6794 1 799 . 1 1 59 59 SER HB3 H 1 3.895 0.004 . 2 . . . . 67 SER HB3 . 6794 1 800 . 1 1 59 59 SER C C 13 173.606 0.024 . 1 . . . . 67 SER C . 6794 1 801 . 1 1 59 59 SER CA C 13 59.181 0.062 . 1 . . . . 67 SER CA . 6794 1 802 . 1 1 59 59 SER CB C 13 63.441 0.038 . 1 . . . . 67 SER CB . 6794 1 803 . 1 1 59 59 SER N N 15 117.783 0.031 . 1 . . . . 67 SER N . 6794 1 804 . 1 1 60 60 THR H H 1 7.930 0.000 . 1 . . . . 68 THR H . 6794 1 805 . 1 1 60 60 THR HA H 1 4.723 0.000 . 1 . . . . 68 THR HA . 6794 1 806 . 1 1 60 60 THR HB H 1 4.216 0.003 . 1 . . . . 68 THR HB . 6794 1 807 . 1 1 60 60 THR HG21 H 1 1.180 0.004 . 1 . . . . 68 THR HG2 . 6794 1 808 . 1 1 60 60 THR HG22 H 1 1.180 0.004 . 1 . . . . 68 THR HG2 . 6794 1 809 . 1 1 60 60 THR HG23 H 1 1.180 0.004 . 1 . . . . 68 THR HG2 . 6794 1 810 . 1 1 60 60 THR C C 13 175.219 0.000 . 1 . . . . 68 THR C . 6794 1 811 . 1 1 60 60 THR CA C 13 59.331 0.016 . 1 . . . . 68 THR CA . 6794 1 812 . 1 1 60 60 THR CB C 13 69.814 0.007 . 1 . . . . 68 THR CB . 6794 1 813 . 1 1 60 60 THR CG2 C 13 21.128 0.074 . 1 . . . . 68 THR CG2 . 6794 1 814 . 1 1 60 60 THR N N 15 115.844 0.033 . 1 . . . . 68 THR N . 6794 1 815 . 1 1 61 61 PRO HA H 1 4.387 0.007 . 1 . . . . 69 PRO HA . 6794 1 816 . 1 1 61 61 PRO HB2 H 1 1.931 0.000 . 2 . . . . 69 PRO HB2 . 6794 1 817 . 1 1 61 61 PRO HB3 H 1 2.305 0.000 . 2 . . . . 69 PRO HB3 . 6794 1 818 . 1 1 61 61 PRO HG2 H 1 1.931 0.000 . 2 . . . . 69 PRO HG2 . 6794 1 819 . 1 1 61 61 PRO HG3 H 1 2.039 0.000 . 2 . . . . 69 PRO HG3 . 6794 1 820 . 1 1 61 61 PRO HD2 H 1 3.683 0.010 . 2 . . . . 69 PRO HD2 . 6794 1 821 . 1 1 61 61 PRO HD3 H 1 3.788 0.009 . 2 . . . . 69 PRO HD3 . 6794 1 822 . 1 1 61 61 PRO C C 13 171.066 0.000 . 1 . . . . 69 PRO C . 6794 1 823 . 1 1 61 61 PRO CA C 13 64.079 0.076 . 1 . . . . 69 PRO CA . 6794 1 824 . 1 1 61 61 PRO CB C 13 31.836 0.010 . 1 . . . . 69 PRO CB . 6794 1 825 . 1 1 61 61 PRO CG C 13 27.623 0.000 . 1 . . . . 69 PRO CG . 6794 1 826 . 1 1 61 61 PRO CD C 13 51.016 0.041 . 1 . . . . 69 PRO CD . 6794 1 827 . 1 1 62 62 MET H H 1 8.334 0.000 . 1 . . . . 70 MET H . 6794 1 828 . 1 1 62 62 MET HA H 1 4.458 0.000 . 1 . . . . 70 MET HA . 6794 1 829 . 1 1 62 62 MET HB2 H 1 2.558 0.000 . 1 . . . . 70 MET HB2 . 6794 1 830 . 1 1 62 62 MET HB3 H 1 2.558 0.000 . 1 . . . . 70 MET HB3 . 6794 1 831 . 1 1 62 62 MET HG2 H 1 2.537 0.021 . 2 . . . . 70 MET HG2 . 6794 1 832 . 1 1 62 62 MET HG3 H 1 2.571 0.013 . 2 . . . . 70 MET HG3 . 6794 1 833 . 1 1 62 62 MET C C 13 172.090 0.005 . 1 . . . . 70 MET C . 6794 1 834 . 1 1 62 62 MET CA C 13 55.776 0.061 . 1 . . . . 70 MET CA . 6794 1 835 . 1 1 62 62 MET CB C 13 32.903 0.039 . 1 . . . . 70 MET CB . 6794 1 836 . 1 1 62 62 MET CG C 13 32.223 0.041 . 1 . . . . 70 MET CG . 6794 1 837 . 1 1 62 62 MET N N 15 118.942 0.025 . 1 . . . . 70 MET N . 6794 1 838 . 1 1 63 63 VAL H H 1 8.044 0.000 . 1 . . . . 71 VAL H . 6794 1 839 . 1 1 63 63 VAL HA H 1 4.112 0.000 . 1 . . . . 71 VAL HA . 6794 1 840 . 1 1 63 63 VAL HB H 1 2.068 0.002 . 1 . . . . 71 VAL HB . 6794 1 841 . 1 1 63 63 VAL HG11 H 1 0.956 0.005 . 1 . . . . 71 VAL HG1 . 6794 1 842 . 1 1 63 63 VAL HG12 H 1 0.956 0.005 . 1 . . . . 71 VAL HG1 . 6794 1 843 . 1 1 63 63 VAL HG13 H 1 0.956 0.005 . 1 . . . . 71 VAL HG1 . 6794 1 844 . 1 1 63 63 VAL HG21 H 1 0.956 0.005 . 1 . . . . 71 VAL HG2 . 6794 1 845 . 1 1 63 63 VAL HG22 H 1 0.956 0.005 . 1 . . . . 71 VAL HG2 . 6794 1 846 . 1 1 63 63 VAL HG23 H 1 0.956 0.005 . 1 . . . . 71 VAL HG2 . 6794 1 847 . 1 1 63 63 VAL C C 13 171.395 0.004 . 1 . . . . 71 VAL C . 6794 1 848 . 1 1 63 63 VAL CA C 13 62.919 0.079 . 1 . . . . 71 VAL CA . 6794 1 849 . 1 1 63 63 VAL CB C 13 32.654 0.079 . 1 . . . . 71 VAL CB . 6794 1 850 . 1 1 63 63 VAL CG1 C 13 20.949 0.029 . 1 . . . . 71 VAL CG1 . 6794 1 851 . 1 1 63 63 VAL CG2 C 13 20.949 0.029 . 1 . . . . 71 VAL CG2 . 6794 1 852 . 1 1 63 63 VAL N N 15 120.894 0.033 . 1 . . . . 71 VAL N . 6794 1 853 . 1 1 64 64 GLY H H 1 8.518 0.004 . 1 . . . . 72 GLY H . 6794 1 854 . 1 1 64 64 GLY HA2 H 1 3.991 0.005 . 1 . . . . 72 GLY HA2 . 6794 1 855 . 1 1 64 64 GLY HA3 H 1 3.991 0.005 . 1 . . . . 72 GLY HA3 . 6794 1 856 . 1 1 64 64 GLY C C 13 173.974 0.014 . 1 . . . . 72 GLY C . 6794 1 857 . 1 1 64 64 GLY CA C 13 45.521 0.044 . 1 . . . . 72 GLY CA . 6794 1 858 . 1 1 64 64 GLY N N 15 112.569 0.023 . 1 . . . . 72 GLY N . 6794 1 859 . 1 1 65 65 VAL H H 1 8.019 0.000 . 1 . . . . 73 VAL H . 6794 1 860 . 1 1 65 65 VAL HA H 1 4.263 0.000 . 1 . . . . 73 VAL HA . 6794 1 861 . 1 1 65 65 VAL HB H 1 2.188 0.006 . 1 . . . . 73 VAL HB . 6794 1 862 . 1 1 65 65 VAL HG11 H 1 0.952 0.008 . 2 . . . . 73 VAL HG1 . 6794 1 863 . 1 1 65 65 VAL HG12 H 1 0.952 0.008 . 2 . . . . 73 VAL HG1 . 6794 1 864 . 1 1 65 65 VAL HG13 H 1 0.952 0.008 . 2 . . . . 73 VAL HG1 . 6794 1 865 . 1 1 65 65 VAL HG21 H 1 0.960 0.006 . 2 . . . . 73 VAL HG2 . 6794 1 866 . 1 1 65 65 VAL HG22 H 1 0.960 0.006 . 2 . . . . 73 VAL HG2 . 6794 1 867 . 1 1 65 65 VAL HG23 H 1 0.960 0.006 . 2 . . . . 73 VAL HG2 . 6794 1 868 . 1 1 65 65 VAL C C 13 171.504 0.013 . 1 . . . . 73 VAL C . 6794 1 869 . 1 1 65 65 VAL CA C 13 62.122 0.062 . 1 . . . . 73 VAL CA . 6794 1 870 . 1 1 65 65 VAL CB C 13 32.980 0.050 . 1 . . . . 73 VAL CB . 6794 1 871 . 1 1 65 65 VAL CG1 C 13 20.358 0.067 . 2 . . . . 73 VAL CG1 . 6794 1 872 . 1 1 65 65 VAL CG2 C 13 21.424 0.073 . 2 . . . . 73 VAL CG2 . 6794 1 873 . 1 1 65 65 VAL N N 15 118.461 0.024 . 1 . . . . 73 VAL N . 6794 1 874 . 1 1 66 66 GLY H H 1 8.570 0.003 . 1 . . . . 74 GLY H . 6794 1 875 . 1 1 66 66 GLY HA2 H 1 4.102 0.023 . 2 . . . . 74 GLY HA2 . 6794 1 876 . 1 1 66 66 GLY HA3 H 1 4.137 0.012 . 2 . . . . 74 GLY HA3 . 6794 1 877 . 1 1 66 66 GLY C C 13 174.200 0.007 . 1 . . . . 74 GLY C . 6794 1 878 . 1 1 66 66 GLY CA C 13 45.174 0.020 . 1 . . . . 74 GLY CA . 6794 1 879 . 1 1 66 66 GLY N N 15 112.576 0.027 . 1 . . . . 74 GLY N . 6794 1 880 . 1 1 67 67 GLY H H 1 8.273 0.000 . 1 . . . . 75 GLY H . 6794 1 881 . 1 1 67 67 GLY HA2 H 1 4.370 0.000 . 2 . . . . 75 GLY HA2 . 6794 1 882 . 1 1 67 67 GLY HA3 H 1 4.095 0.000 . 2 . . . . 75 GLY HA3 . 6794 1 883 . 1 1 67 67 GLY C C 13 175.934 0.006 . 1 . . . . 75 GLY C . 6794 1 884 . 1 1 67 67 GLY CA C 13 46.281 0.059 . 1 . . . . 75 GLY CA . 6794 1 885 . 1 1 67 67 GLY N N 15 109.910 0.021 . 1 . . . . 75 GLY N . 6794 1 886 . 1 1 68 68 ILE H H 1 7.771 0.000 . 1 . . . . 76 ILE H . 6794 1 887 . 1 1 68 68 ILE HA H 1 4.841 0.000 . 1 . . . . 76 ILE HA . 6794 1 888 . 1 1 68 68 ILE HB H 1 1.577 0.004 . 1 . . . . 76 ILE HB . 6794 1 889 . 1 1 68 68 ILE HG12 H 1 1.196 0.006 . 2 . . . . 76 ILE HG12 . 6794 1 890 . 1 1 68 68 ILE HG13 H 1 0.932 0.007 . 2 . . . . 76 ILE HG13 . 6794 1 891 . 1 1 68 68 ILE HG21 H 1 0.661 0.003 . 1 . . . . 76 ILE HG2 . 6794 1 892 . 1 1 68 68 ILE HG22 H 1 0.661 0.003 . 1 . . . . 76 ILE HG2 . 6794 1 893 . 1 1 68 68 ILE HG23 H 1 0.661 0.003 . 1 . . . . 76 ILE HG2 . 6794 1 894 . 1 1 68 68 ILE HD11 H 1 0.504 0.002 . 1 . . . . 76 ILE HD1 . 6794 1 895 . 1 1 68 68 ILE HD12 H 1 0.504 0.002 . 1 . . . . 76 ILE HD1 . 6794 1 896 . 1 1 68 68 ILE HD13 H 1 0.504 0.002 . 1 . . . . 76 ILE HD1 . 6794 1 897 . 1 1 68 68 ILE C C 13 173.826 0.011 . 1 . . . . 76 ILE C . 6794 1 898 . 1 1 68 68 ILE CA C 13 58.904 0.063 . 1 . . . . 76 ILE CA . 6794 1 899 . 1 1 68 68 ILE CB C 13 42.512 0.043 . 1 . . . . 76 ILE CB . 6794 1 900 . 1 1 68 68 ILE CG1 C 13 26.499 0.040 . 1 . . . . 76 ILE CG1 . 6794 1 901 . 1 1 68 68 ILE CG2 C 13 17.826 0.010 . 1 . . . . 76 ILE CG2 . 6794 1 902 . 1 1 68 68 ILE CD1 C 13 13.086 0.016 . 1 . . . . 76 ILE CD1 . 6794 1 903 . 1 1 68 68 ILE N N 15 117.870 0.020 . 1 . . . . 76 ILE N . 6794 1 904 . 1 1 69 69 TYR H H 1 9.420 0.000 . 1 . . . . 77 TYR H . 6794 1 905 . 1 1 69 69 TYR HA H 1 4.880 0.000 . 1 . . . . 77 TYR HA . 6794 1 906 . 1 1 69 69 TYR HB2 H 1 2.762 0.009 . 2 . . . . 77 TYR HB2 . 6794 1 907 . 1 1 69 69 TYR HB3 H 1 2.430 0.006 . 2 . . . . 77 TYR HB3 . 6794 1 908 . 1 1 69 69 TYR HD1 H 1 7.193 0.001 . 1 . . . . 77 TYR HD1 . 6794 1 909 . 1 1 69 69 TYR HD2 H 1 7.193 0.001 . 1 . . . . 77 TYR HD2 . 6794 1 910 . 1 1 69 69 TYR HE1 H 1 6.938 0.000 . 1 . . . . 77 TYR HE1 . 6794 1 911 . 1 1 69 69 TYR HE2 H 1 6.938 0.000 . 1 . . . . 77 TYR HE2 . 6794 1 912 . 1 1 69 69 TYR C C 13 173.415 0.001 . 1 . . . . 77 TYR C . 6794 1 913 . 1 1 69 69 TYR CA C 13 58.041 0.033 . 1 . . . . 77 TYR CA . 6794 1 914 . 1 1 69 69 TYR CB C 13 38.968 0.074 . 1 . . . . 77 TYR CB . 6794 1 915 . 1 1 69 69 TYR CD1 C 13 133.934 0.000 . 1 . . . . 77 TYR CD1 . 6794 1 916 . 1 1 69 69 TYR CD2 C 13 133.934 0.000 . 1 . . . . 77 TYR CD2 . 6794 1 917 . 1 1 69 69 TYR CE1 C 13 118.320 0.000 . 1 . . . . 77 TYR CE1 . 6794 1 918 . 1 1 69 69 TYR CE2 C 13 118.320 0.000 . 1 . . . . 77 TYR CE2 . 6794 1 919 . 1 1 69 69 TYR N N 15 122.535 0.019 . 1 . . . . 77 TYR N . 6794 1 920 . 1 1 70 70 VAL H H 1 8.855 0.005 . 1 . . . . 78 VAL H . 6794 1 921 . 1 1 70 70 VAL HA H 1 4.295 0.000 . 1 . . . . 78 VAL HA . 6794 1 922 . 1 1 70 70 VAL HB H 1 1.876 0.003 . 1 . . . . 78 VAL HB . 6794 1 923 . 1 1 70 70 VAL HG11 H 1 0.560 0.004 . 1 . . . . 78 VAL HG1 . 6794 1 924 . 1 1 70 70 VAL HG12 H 1 0.560 0.004 . 1 . . . . 78 VAL HG1 . 6794 1 925 . 1 1 70 70 VAL HG13 H 1 0.560 0.004 . 1 . . . . 78 VAL HG1 . 6794 1 926 . 1 1 70 70 VAL HG21 H 1 0.785 0.003 . 1 . . . . 78 VAL HG2 . 6794 1 927 . 1 1 70 70 VAL HG22 H 1 0.785 0.003 . 1 . . . . 78 VAL HG2 . 6794 1 928 . 1 1 70 70 VAL HG23 H 1 0.785 0.003 . 1 . . . . 78 VAL HG2 . 6794 1 929 . 1 1 70 70 VAL C C 13 173.265 0.008 . 1 . . . . 78 VAL C . 6794 1 930 . 1 1 70 70 VAL CA C 13 62.100 0.084 . 1 . . . . 78 VAL CA . 6794 1 931 . 1 1 70 70 VAL CB C 13 32.714 0.101 . 1 . . . . 78 VAL CB . 6794 1 932 . 1 1 70 70 VAL CG1 C 13 21.107 0.038 . 2 . . . . 78 VAL CG1 . 6794 1 933 . 1 1 70 70 VAL CG2 C 13 21.059 0.022 . 2 . . . . 78 VAL CG2 . 6794 1 934 . 1 1 70 70 VAL N N 15 124.761 0.013 . 1 . . . . 78 VAL N . 6794 1 935 . 1 1 71 71 VAL H H 1 9.191 0.005 . 1 . . . . 79 VAL H . 6794 1 936 . 1 1 71 71 VAL HA H 1 4.933 0.000 . 1 . . . . 79 VAL HA . 6794 1 937 . 1 1 71 71 VAL HB H 1 1.728 0.002 . 1 . . . . 79 VAL HB . 6794 1 938 . 1 1 71 71 VAL HG11 H 1 0.568 0.005 . 2 . . . . 79 VAL HG1 . 6794 1 939 . 1 1 71 71 VAL HG12 H 1 0.568 0.005 . 2 . . . . 79 VAL HG1 . 6794 1 940 . 1 1 71 71 VAL HG13 H 1 0.568 0.005 . 2 . . . . 79 VAL HG1 . 6794 1 941 . 1 1 71 71 VAL HG21 H 1 0.572 0.007 . 2 . . . . 79 VAL HG2 . 6794 1 942 . 1 1 71 71 VAL HG22 H 1 0.572 0.007 . 2 . . . . 79 VAL HG2 . 6794 1 943 . 1 1 71 71 VAL HG23 H 1 0.572 0.007 . 2 . . . . 79 VAL HG2 . 6794 1 944 . 1 1 71 71 VAL C C 13 173.675 0.000 . 1 . . . . 79 VAL C . 6794 1 945 . 1 1 71 71 VAL CA C 13 60.346 0.041 . 1 . . . . 79 VAL CA . 6794 1 946 . 1 1 71 71 VAL CB C 13 32.670 0.065 . 1 . . . . 79 VAL CB . 6794 1 947 . 1 1 71 71 VAL CG1 C 13 20.984 0.014 . 2 . . . . 79 VAL CG1 . 6794 1 948 . 1 1 71 71 VAL CG2 C 13 20.987 0.012 . 2 . . . . 79 VAL CG2 . 6794 1 949 . 1 1 71 71 VAL N N 15 129.382 0.035 . 1 . . . . 79 VAL N . 6794 1 950 . 1 1 72 72 LEU H H 1 8.927 0.004 . 1 . . . . 80 LEU H . 6794 1 951 . 1 1 72 72 LEU HA H 1 5.036 0.006 . 1 . . . . 80 LEU HA . 6794 1 952 . 1 1 72 72 LEU HB2 H 1 1.196 0.008 . 2 . . . . 80 LEU HB2 . 6794 1 953 . 1 1 72 72 LEU HB3 H 1 1.716 0.006 . 2 . . . . 80 LEU HB3 . 6794 1 954 . 1 1 72 72 LEU HG H 1 1.513 0.004 . 1 . . . . 80 LEU HG . 6794 1 955 . 1 1 72 72 LEU HD11 H 1 0.722 0.005 . 1 . . . . 80 LEU HD1 . 6794 1 956 . 1 1 72 72 LEU HD12 H 1 0.722 0.005 . 1 . . . . 80 LEU HD1 . 6794 1 957 . 1 1 72 72 LEU HD13 H 1 0.722 0.005 . 1 . . . . 80 LEU HD1 . 6794 1 958 . 1 1 72 72 LEU HD21 H 1 0.799 0.003 . 1 . . . . 80 LEU HD2 . 6794 1 959 . 1 1 72 72 LEU HD22 H 1 0.799 0.003 . 1 . . . . 80 LEU HD2 . 6794 1 960 . 1 1 72 72 LEU HD23 H 1 0.799 0.003 . 1 . . . . 80 LEU HD2 . 6794 1 961 . 1 1 72 72 LEU C C 13 171.715 0.000 . 1 . . . . 80 LEU C . 6794 1 962 . 1 1 72 72 LEU CA C 13 53.196 0.065 . 1 . . . . 80 LEU CA . 6794 1 963 . 1 1 72 72 LEU CB C 13 43.104 0.047 . 1 . . . . 80 LEU CB . 6794 1 964 . 1 1 72 72 LEU CG C 13 26.736 0.016 . 1 . . . . 80 LEU CG . 6794 1 965 . 1 1 72 72 LEU CD1 C 13 23.384 0.019 . 2 . . . . 80 LEU CD1 . 6794 1 966 . 1 1 72 72 LEU CD2 C 13 25.248 0.034 . 2 . . . . 80 LEU CD2 . 6794 1 967 . 1 1 72 72 LEU N N 15 126.496 0.036 . 1 . . . . 80 LEU N . 6794 1 968 . 1 1 73 73 VAL H H 1 8.999 0.000 . 1 . . . . 81 VAL H . 6794 1 969 . 1 1 73 73 VAL HA H 1 5.089 0.000 . 1 . . . . 81 VAL HA . 6794 1 970 . 1 1 73 73 VAL HB H 1 1.832 0.009 . 1 . . . . 81 VAL HB . 6794 1 971 . 1 1 73 73 VAL HG11 H 1 0.766 0.016 . 2 . . . . 81 VAL HG1 . 6794 1 972 . 1 1 73 73 VAL HG12 H 1 0.766 0.016 . 2 . . . . 81 VAL HG1 . 6794 1 973 . 1 1 73 73 VAL HG13 H 1 0.766 0.016 . 2 . . . . 81 VAL HG1 . 6794 1 974 . 1 1 73 73 VAL HG21 H 1 0.820 0.014 . 2 . . . . 81 VAL HG2 . 6794 1 975 . 1 1 73 73 VAL HG22 H 1 0.820 0.014 . 2 . . . . 81 VAL HG2 . 6794 1 976 . 1 1 73 73 VAL HG23 H 1 0.820 0.014 . 2 . . . . 81 VAL HG2 . 6794 1 977 . 1 1 73 73 VAL C C 13 174.525 0.024 . 1 . . . . 81 VAL C . 6794 1 978 . 1 1 73 73 VAL CA C 13 59.593 0.033 . 1 . . . . 81 VAL CA . 6794 1 979 . 1 1 73 73 VAL CB C 13 34.466 0.089 . 1 . . . . 81 VAL CB . 6794 1 980 . 1 1 73 73 VAL CG1 C 13 21.459 0.016 . 2 . . . . 81 VAL CG1 . 6794 1 981 . 1 1 73 73 VAL CG2 C 13 22.664 0.042 . 2 . . . . 81 VAL CG2 . 6794 1 982 . 1 1 73 73 VAL N N 15 123.194 0.017 . 1 . . . . 81 VAL N . 6794 1 983 . 1 1 74 74 LYS H H 1 9.070 0.003 . 1 . . . . 82 LYS H . 6794 1 984 . 1 1 74 74 LYS HA H 1 5.502 0.000 . 1 . . . . 82 LYS HA . 6794 1 985 . 1 1 74 74 LYS HB2 H 1 1.551 0.001 . 2 . . . . 82 LYS HB2 . 6794 1 986 . 1 1 74 74 LYS HB3 H 1 1.635 0.003 . 2 . . . . 82 LYS HB3 . 6794 1 987 . 1 1 74 74 LYS HG2 H 1 1.005 0.005 . 1 . . . . 82 LYS HG2 . 6794 1 988 . 1 1 74 74 LYS HG3 H 1 1.005 0.005 . 1 . . . . 82 LYS HG3 . 6794 1 989 . 1 1 74 74 LYS HD2 H 1 1.509 0.000 . 1 . . . . 82 LYS HD2 . 6794 1 990 . 1 1 74 74 LYS HD3 H 1 1.509 0.000 . 1 . . . . 82 LYS HD3 . 6794 1 991 . 1 1 74 74 LYS HE2 H 1 2.790 0.001 . 1 . . . . 82 LYS HE2 . 6794 1 992 . 1 1 74 74 LYS HE3 H 1 2.790 0.001 . 1 . . . . 82 LYS HE3 . 6794 1 993 . 1 1 74 74 LYS C C 13 173.748 0.000 . 1 . . . . 82 LYS C . 6794 1 994 . 1 1 74 74 LYS CA C 13 52.145 0.021 . 1 . . . . 82 LYS CA . 6794 1 995 . 1 1 74 74 LYS CB C 13 36.111 0.051 . 1 . . . . 82 LYS CB . 6794 1 996 . 1 1 74 74 LYS CG C 13 24.074 0.013 . 1 . . . . 82 LYS CG . 6794 1 997 . 1 1 74 74 LYS CD C 13 29.808 0.000 . 1 . . . . 82 LYS CD . 6794 1 998 . 1 1 74 74 LYS CE C 13 41.426 0.044 . 1 . . . . 82 LYS CE . 6794 1 999 . 1 1 74 74 LYS N N 15 128.040 0.035 . 1 . . . . 82 LYS N . 6794 1 1000 . 1 1 75 75 PRO HA H 1 4.797 0.005 . 1 . . . . 83 PRO HA . 6794 1 1001 . 1 1 75 75 PRO HB2 H 1 1.993 0.006 . 2 . . . . 83 PRO HB2 . 6794 1 1002 . 1 1 75 75 PRO HB3 H 1 2.186 0.019 . 2 . . . . 83 PRO HB3 . 6794 1 1003 . 1 1 75 75 PRO HG2 H 1 1.779 0.006 . 2 . . . . 83 PRO HG2 . 6794 1 1004 . 1 1 75 75 PRO HG3 H 1 2.242 0.004 . 2 . . . . 83 PRO HG3 . 6794 1 1005 . 1 1 75 75 PRO HD2 H 1 4.473 0.002 . 2 . . . . 83 PRO HD2 . 6794 1 1006 . 1 1 75 75 PRO HD3 H 1 3.869 0.004 . 2 . . . . 83 PRO HD3 . 6794 1 1007 . 1 1 75 75 PRO C C 13 170.679 0.000 . 1 . . . . 83 PRO C . 6794 1 1008 . 1 1 75 75 PRO CA C 13 62.746 0.035 . 1 . . . . 83 PRO CA . 6794 1 1009 . 1 1 75 75 PRO CB C 13 33.976 0.085 . 1 . . . . 83 PRO CB . 6794 1 1010 . 1 1 75 75 PRO CG C 13 28.355 0.026 . 1 . . . . 83 PRO CG . 6794 1 1011 . 1 1 75 75 PRO CD C 13 51.691 0.023 . 1 . . . . 83 PRO CD . 6794 1 1012 . 1 1 76 76 ARG H H 1 8.983 0.000 . 1 . . . . 84 ARG H . 6794 1 1013 . 1 1 76 76 ARG HA H 1 4.416 0.000 . 1 . . . . 84 ARG HA . 6794 1 1014 . 1 1 76 76 ARG HB2 H 1 2.000 0.004 . 2 . . . . 84 ARG HB2 . 6794 1 1015 . 1 1 76 76 ARG HB3 H 1 1.709 0.004 . 2 . . . . 84 ARG HB3 . 6794 1 1016 . 1 1 76 76 ARG HG2 H 1 1.576 0.006 . 1 . . . . 84 ARG HG2 . 6794 1 1017 . 1 1 76 76 ARG HG3 H 1 1.576 0.006 . 1 . . . . 84 ARG HG3 . 6794 1 1018 . 1 1 76 76 ARG HD2 H 1 3.022 0.016 . 2 . . . . 84 ARG HD2 . 6794 1 1019 . 1 1 76 76 ARG HD3 H 1 3.096 0.009 . 2 . . . . 84 ARG HD3 . 6794 1 1020 . 1 1 76 76 ARG HE H 1 7.255 0.000 . 1 . . . . 84 ARG HE . 6794 1 1021 . 1 1 76 76 ARG C C 13 172.339 0.003 . 1 . . . . 84 ARG C . 6794 1 1022 . 1 1 76 76 ARG CA C 13 56.477 0.031 . 1 . . . . 84 ARG CA . 6794 1 1023 . 1 1 76 76 ARG CB C 13 31.997 0.039 . 1 . . . . 84 ARG CB . 6794 1 1024 . 1 1 76 76 ARG CG C 13 27.753 0.047 . 1 . . . . 84 ARG CG . 6794 1 1025 . 1 1 76 76 ARG CD C 13 43.316 0.012 . 1 . . . . 84 ARG CD . 6794 1 1026 . 1 1 76 76 ARG N N 15 119.890 0.040 . 1 . . . . 84 ARG N . 6794 1 1027 . 1 1 76 76 ARG NE N 15 85.122 0.000 . 1 . . . . 84 ARG NE . 6794 1 1028 . 1 1 77 77 LYS H H 1 7.400 0.000 . 1 . . . . 85 LYS H . 6794 1 1029 . 1 1 77 77 LYS HA H 1 4.717 0.000 . 1 . . . . 85 LYS HA . 6794 1 1030 . 1 1 77 77 LYS HB2 H 1 1.516 0.003 . 2 . . . . 85 LYS HB2 . 6794 1 1031 . 1 1 77 77 LYS HB3 H 1 1.954 0.001 . 2 . . . . 85 LYS HB3 . 6794 1 1032 . 1 1 77 77 LYS HG2 H 1 1.515 0.006 . 1 . . . . 85 LYS HG2 . 6794 1 1033 . 1 1 77 77 LYS HG3 H 1 1.515 0.006 . 1 . . . . 85 LYS HG3 . 6794 1 1034 . 1 1 77 77 LYS HD2 H 1 1.737 0.005 . 2 . . . . 85 LYS HD2 . 6794 1 1035 . 1 1 77 77 LYS HD3 H 1 1.651 0.000 . 2 . . . . 85 LYS HD3 . 6794 1 1036 . 1 1 77 77 LYS HE2 H 1 2.962 0.006 . 1 . . . . 85 LYS HE2 . 6794 1 1037 . 1 1 77 77 LYS HE3 H 1 2.962 0.006 . 1 . . . . 85 LYS HE3 . 6794 1 1038 . 1 1 77 77 LYS C C 13 172.614 0.004 . 1 . . . . 85 LYS C . 6794 1 1039 . 1 1 77 77 LYS CA C 13 54.302 0.026 . 1 . . . . 85 LYS CA . 6794 1 1040 . 1 1 77 77 LYS CB C 13 37.303 0.017 . 1 . . . . 85 LYS CB . 6794 1 1041 . 1 1 77 77 LYS CG C 13 24.689 0.009 . 1 . . . . 85 LYS CG . 6794 1 1042 . 1 1 77 77 LYS CD C 13 29.105 0.000 . 1 . . . . 85 LYS CD . 6794 1 1043 . 1 1 77 77 LYS CE C 13 42.126 0.000 . 1 . . . . 85 LYS CE . 6794 1 1044 . 1 1 77 77 LYS N N 15 116.068 0.021 . 1 . . . . 85 LYS N . 6794 1 1045 . 1 1 78 78 ARG H H 1 8.713 0.003 . 1 . . . . 86 ARG H . 6794 1 1046 . 1 1 78 78 ARG HA H 1 3.957 0.000 . 1 . . . . 86 ARG HA . 6794 1 1047 . 1 1 78 78 ARG HB2 H 1 1.740 0.000 . 2 . . . . 86 ARG HB2 . 6794 1 1048 . 1 1 78 78 ARG HB3 H 1 1.850 0.005 . 2 . . . . 86 ARG HB3 . 6794 1 1049 . 1 1 78 78 ARG HG2 H 1 1.505 0.001 . 2 . . . . 86 ARG HG2 . 6794 1 1050 . 1 1 78 78 ARG HG3 H 1 1.726 0.001 . 2 . . . . 86 ARG HG3 . 6794 1 1051 . 1 1 78 78 ARG HD2 H 1 3.232 0.000 . 1 . . . . 86 ARG HD2 . 6794 1 1052 . 1 1 78 78 ARG HD3 H 1 3.232 0.000 . 1 . . . . 86 ARG HD3 . 6794 1 1053 . 1 1 78 78 ARG HE H 1 7.360 0.017 . 1 . . . . 86 ARG HE . 6794 1 1054 . 1 1 78 78 ARG C C 13 171.453 0.007 . 1 . . . . 86 ARG C . 6794 1 1055 . 1 1 78 78 ARG CA C 13 57.233 0.035 . 1 . . . . 86 ARG CA . 6794 1 1056 . 1 1 78 78 ARG CB C 13 31.639 0.058 . 1 . . . . 86 ARG CB . 6794 1 1057 . 1 1 78 78 ARG CG C 13 29.148 0.043 . 1 . . . . 86 ARG CG . 6794 1 1058 . 1 1 78 78 ARG CD C 13 43.697 0.039 . 1 . . . . 86 ARG CD . 6794 1 1059 . 1 1 78 78 ARG N N 15 121.568 0.045 . 1 . . . . 86 ARG N . 6794 1 1060 . 1 1 78 78 ARG NE N 15 85.051 0.003 . 1 . . . . 86 ARG NE . 6794 1 1061 . 1 1 79 79 GLY H H 1 9.002 0.000 . 1 . . . . 87 GLY H . 6794 1 1062 . 1 1 79 79 GLY HA2 H 1 4.452 0.000 . 2 . . . . 87 GLY HA2 . 6794 1 1063 . 1 1 79 79 GLY HA3 H 1 3.637 0.003 . 2 . . . . 87 GLY HA3 . 6794 1 1064 . 1 1 79 79 GLY C C 13 176.132 0.000 . 1 . . . . 87 GLY C . 6794 1 1065 . 1 1 79 79 GLY CA C 13 43.813 0.018 . 1 . . . . 87 GLY CA . 6794 1 1066 . 1 1 79 79 GLY N N 15 109.974 0.027 . 1 . . . . 87 GLY N . 6794 1 1067 . 1 1 80 80 HIS H H 1 8.299 0.007 . 1 . . . . 88 HIS H . 6794 1 1068 . 1 1 80 80 HIS HA H 1 5.257 0.000 . 1 . . . . 88 HIS HA . 6794 1 1069 . 1 1 80 80 HIS HB2 H 1 3.016 0.002 . 1 . . . . 88 HIS HB2 . 6794 1 1070 . 1 1 80 80 HIS HB3 H 1 3.016 0.002 . 1 . . . . 88 HIS HB3 . 6794 1 1071 . 1 1 80 80 HIS HD2 H 1 7.017 0.015 . 1 . . . . 88 HIS HD2 . 6794 1 1072 . 1 1 80 80 HIS C C 13 174.060 0.000 . 1 . . . . 88 HIS C . 6794 1 1073 . 1 1 80 80 HIS CA C 13 54.226 0.015 . 1 . . . . 88 HIS CA . 6794 1 1074 . 1 1 80 80 HIS CB C 13 28.370 0.081 . 1 . . . . 88 HIS CB . 6794 1 1075 . 1 1 80 80 HIS CD2 C 13 119.215 0.000 . 1 . . . . 88 HIS CD2 . 6794 1 1076 . 1 1 80 80 HIS N N 15 118.061 0.019 . 1 . . . . 88 HIS N . 6794 1 1077 . 1 1 81 81 HIS H H 1 8.786 0.000 . 1 . . . . 89 HIS H . 6794 1 1078 . 1 1 81 81 HIS HA H 1 5.277 0.000 . 1 . . . . 89 HIS HA . 6794 1 1079 . 1 1 81 81 HIS HB2 H 1 3.123 0.003 . 2 . . . . 89 HIS HB2 . 6794 1 1080 . 1 1 81 81 HIS HB3 H 1 2.527 0.003 . 2 . . . . 89 HIS HB3 . 6794 1 1081 . 1 1 81 81 HIS HD2 H 1 6.579 0.025 . 1 . . . . 89 HIS HD2 . 6794 1 1082 . 1 1 81 81 HIS C C 13 173.471 0.004 . 1 . . . . 89 HIS C . 6794 1 1083 . 1 1 81 81 HIS CA C 13 54.344 0.053 . 1 . . . . 89 HIS CA . 6794 1 1084 . 1 1 81 81 HIS CB C 13 34.690 0.073 . 1 . . . . 89 HIS CB . 6794 1 1085 . 1 1 81 81 HIS CD2 C 13 118.386 0.000 . 1 . . . . 89 HIS CD2 . 6794 1 1086 . 1 1 81 81 HIS N N 15 122.370 0.028 . 1 . . . . 89 HIS N . 6794 1 1087 . 1 1 82 82 THR H H 1 9.192 0.000 . 1 . . . . 90 THR H . 6794 1 1088 . 1 1 82 82 THR HA H 1 4.865 0.000 . 1 . . . . 90 THR HA . 6794 1 1089 . 1 1 82 82 THR HB H 1 3.870 0.001 . 1 . . . . 90 THR HB . 6794 1 1090 . 1 1 82 82 THR HG21 H 1 0.685 0.002 . 1 . . . . 90 THR HG2 . 6794 1 1091 . 1 1 82 82 THR HG22 H 1 0.685 0.002 . 1 . . . . 90 THR HG2 . 6794 1 1092 . 1 1 82 82 THR HG23 H 1 0.685 0.002 . 1 . . . . 90 THR HG2 . 6794 1 1093 . 1 1 82 82 THR C C 13 175.338 0.002 . 1 . . . . 90 THR C . 6794 1 1094 . 1 1 82 82 THR CA C 13 61.795 0.053 . 1 . . . . 90 THR CA . 6794 1 1095 . 1 1 82 82 THR CB C 13 70.720 0.069 . 1 . . . . 90 THR CB . 6794 1 1096 . 1 1 82 82 THR CG2 C 13 22.334 0.020 . 1 . . . . 90 THR CG2 . 6794 1 1097 . 1 1 82 82 THR N N 15 118.591 0.024 . 1 . . . . 90 THR N . 6794 1 1098 . 1 1 83 83 LEU H H 1 9.219 0.005 . 1 . . . . 91 LEU H . 6794 1 1099 . 1 1 83 83 LEU HA H 1 4.442 0.000 . 1 . . . . 91 LEU HA . 6794 1 1100 . 1 1 83 83 LEU HB2 H 1 1.001 0.006 . 2 . . . . 91 LEU HB2 . 6794 1 1101 . 1 1 83 83 LEU HB3 H 1 1.983 0.006 . 2 . . . . 91 LEU HB3 . 6794 1 1102 . 1 1 83 83 LEU HG H 1 1.358 0.003 . 1 . . . . 91 LEU HG . 6794 1 1103 . 1 1 83 83 LEU HD11 H 1 0.752 0.000 . 1 . . . . 91 LEU HD1 . 6794 1 1104 . 1 1 83 83 LEU HD12 H 1 0.752 0.000 . 1 . . . . 91 LEU HD1 . 6794 1 1105 . 1 1 83 83 LEU HD13 H 1 0.752 0.000 . 1 . . . . 91 LEU HD1 . 6794 1 1106 . 1 1 83 83 LEU HD21 H 1 0.754 0.015 . 1 . . . . 91 LEU HD2 . 6794 1 1107 . 1 1 83 83 LEU HD22 H 1 0.754 0.015 . 1 . . . . 91 LEU HD2 . 6794 1 1108 . 1 1 83 83 LEU HD23 H 1 0.754 0.015 . 1 . . . . 91 LEU HD2 . 6794 1 1109 . 1 1 83 83 LEU C C 13 174.888 0.009 . 1 . . . . 91 LEU C . 6794 1 1110 . 1 1 83 83 LEU CA C 13 53.108 0.041 . 1 . . . . 91 LEU CA . 6794 1 1111 . 1 1 83 83 LEU CB C 13 43.496 0.045 . 1 . . . . 91 LEU CB . 6794 1 1112 . 1 1 83 83 LEU CG C 13 27.563 0.024 . 1 . . . . 91 LEU CG . 6794 1 1113 . 1 1 83 83 LEU CD1 C 13 23.704 0.000 . 2 . . . . 91 LEU CD1 . 6794 1 1114 . 1 1 83 83 LEU CD2 C 13 27.589 0.001 . 2 . . . . 91 LEU CD2 . 6794 1 1115 . 1 1 83 83 LEU N N 15 128.376 0.026 . 1 . . . . 91 LEU N . 6794 1 1116 . 1 1 84 84 GLU H H 1 8.675 0.002 . 1 . . . . 92 GLU H . 6794 1 1117 . 1 1 84 84 GLU HA H 1 4.884 0.000 . 1 . . . . 92 GLU HA . 6794 1 1118 . 1 1 84 84 GLU HB3 H 1 2.007 0.000 . 1 . . . . 92 GLU HB3 . 6794 1 1119 . 1 1 84 84 GLU HG2 H 1 2.005 0.006 . 2 . . . . 92 GLU HG2 . 6794 1 1120 . 1 1 84 84 GLU HG3 H 1 2.147 0.000 . 2 . . . . 92 GLU HG3 . 6794 1 1121 . 1 1 84 84 GLU C C 13 173.159 0.010 . 1 . . . . 92 GLU C . 6794 1 1122 . 1 1 84 84 GLU CA C 13 55.703 0.038 . 1 . . . . 92 GLU CA . 6794 1 1123 . 1 1 84 84 GLU CB C 13 30.820 0.049 . 1 . . . . 92 GLU CB . 6794 1 1124 . 1 1 84 84 GLU CG C 13 36.526 0.031 . 1 . . . . 92 GLU CG . 6794 1 1125 . 1 1 84 84 GLU N N 15 127.696 0.064 . 1 . . . . 92 GLU N . 6794 1 1126 . 1 1 85 85 LEU H H 1 9.194 0.000 . 1 . . . . 93 LEU H . 6794 1 1127 . 1 1 85 85 LEU HA H 1 5.667 0.000 . 1 . . . . 93 LEU HA . 6794 1 1128 . 1 1 85 85 LEU HB2 H 1 1.755 0.001 . 2 . . . . 93 LEU HB2 . 6794 1 1129 . 1 1 85 85 LEU HB3 H 1 2.257 0.007 . 2 . . . . 93 LEU HB3 . 6794 1 1130 . 1 1 85 85 LEU HG H 1 1.551 0.004 . 1 . . . . 93 LEU HG . 6794 1 1131 . 1 1 85 85 LEU HD11 H 1 0.563 0.002 . 2 . . . . 93 LEU HD1 . 6794 1 1132 . 1 1 85 85 LEU HD12 H 1 0.563 0.002 . 2 . . . . 93 LEU HD1 . 6794 1 1133 . 1 1 85 85 LEU HD13 H 1 0.563 0.002 . 2 . . . . 93 LEU HD1 . 6794 1 1134 . 1 1 85 85 LEU HD21 H 1 0.664 0.004 . 2 . . . . 93 LEU HD2 . 6794 1 1135 . 1 1 85 85 LEU HD22 H 1 0.664 0.004 . 2 . . . . 93 LEU HD2 . 6794 1 1136 . 1 1 85 85 LEU HD23 H 1 0.664 0.004 . 2 . . . . 93 LEU HD2 . 6794 1 1137 . 1 1 85 85 LEU C C 13 171.392 0.006 . 1 . . . . 93 LEU C . 6794 1 1138 . 1 1 85 85 LEU CA C 13 53.053 0.029 . 1 . . . . 93 LEU CA . 6794 1 1139 . 1 1 85 85 LEU CB C 13 44.628 0.019 . 1 . . . . 93 LEU CB . 6794 1 1140 . 1 1 85 85 LEU CG C 13 27.396 0.031 . 1 . . . . 93 LEU CG . 6794 1 1141 . 1 1 85 85 LEU CD1 C 13 26.853 0.020 . 2 . . . . 93 LEU CD1 . 6794 1 1142 . 1 1 85 85 LEU CD2 C 13 22.757 0.032 . 2 . . . . 93 LEU CD2 . 6794 1 1143 . 1 1 85 85 LEU N N 15 124.149 0.035 . 1 . . . . 93 LEU N . 6794 1 1144 . 1 1 86 86 VAL H H 1 9.415 0.000 . 1 . . . . 94 VAL H . 6794 1 1145 . 1 1 86 86 VAL HA H 1 5.194 0.000 . 1 . . . . 94 VAL HA . 6794 1 1146 . 1 1 86 86 VAL HB H 1 1.802 0.009 . 1 . . . . 94 VAL HB . 6794 1 1147 . 1 1 86 86 VAL HG11 H 1 0.744 0.004 . 2 . . . . 94 VAL HG1 . 6794 1 1148 . 1 1 86 86 VAL HG12 H 1 0.744 0.004 . 2 . . . . 94 VAL HG1 . 6794 1 1149 . 1 1 86 86 VAL HG13 H 1 0.744 0.004 . 2 . . . . 94 VAL HG1 . 6794 1 1150 . 1 1 86 86 VAL HG21 H 1 0.895 0.003 . 2 . . . . 94 VAL HG2 . 6794 1 1151 . 1 1 86 86 VAL HG22 H 1 0.895 0.003 . 2 . . . . 94 VAL HG2 . 6794 1 1152 . 1 1 86 86 VAL HG23 H 1 0.895 0.003 . 2 . . . . 94 VAL HG2 . 6794 1 1153 . 1 1 86 86 VAL C C 13 177.784 0.003 . 1 . . . . 94 VAL C . 6794 1 1154 . 1 1 86 86 VAL CA C 13 59.660 0.039 . 1 . . . . 94 VAL CA . 6794 1 1155 . 1 1 86 86 VAL CB C 13 35.389 0.117 . 1 . . . . 94 VAL CB . 6794 1 1156 . 1 1 86 86 VAL CG1 C 13 22.549 0.023 . 2 . . . . 94 VAL CG1 . 6794 1 1157 . 1 1 86 86 VAL CG2 C 13 19.431 0.016 . 2 . . . . 94 VAL CG2 . 6794 1 1158 . 1 1 86 86 VAL N N 15 121.196 0.029 . 1 . . . . 94 VAL N . 6794 1 1159 . 1 1 87 87 TYR H H 1 8.116 0.000 . 1 . . . . 95 TYR H . 6794 1 1160 . 1 1 87 87 TYR HA H 1 4.383 0.000 . 1 . . . . 95 TYR HA . 6794 1 1161 . 1 1 87 87 TYR HB2 H 1 2.217 0.002 . 2 . . . . 95 TYR HB2 . 6794 1 1162 . 1 1 87 87 TYR HB3 H 1 -0.192 0.008 . 2 . . . . 95 TYR HB3 . 6794 1 1163 . 1 1 87 87 TYR HD1 H 1 5.740 0.020 . 1 . . . . 95 TYR HD1 . 6794 1 1164 . 1 1 87 87 TYR HD2 H 1 5.740 0.020 . 1 . . . . 95 TYR HD2 . 6794 1 1165 . 1 1 87 87 TYR HE1 H 1 6.091 0.000 . 1 . . . . 95 TYR HE1 . 6794 1 1166 . 1 1 87 87 TYR HE2 H 1 6.091 0.000 . 1 . . . . 95 TYR HE2 . 6794 1 1167 . 1 1 87 87 TYR C C 13 173.269 0.000 . 1 . . . . 95 TYR C . 6794 1 1168 . 1 1 87 87 TYR CA C 13 54.839 0.032 . 1 . . . . 95 TYR CA . 6794 1 1169 . 1 1 87 87 TYR CB C 13 36.439 0.061 . 1 . . . . 95 TYR CB . 6794 1 1170 . 1 1 87 87 TYR CD1 C 13 132.453 0.000 . 1 . . . . 95 TYR CD1 . 6794 1 1171 . 1 1 87 87 TYR CD2 C 13 132.453 0.000 . 1 . . . . 95 TYR CD2 . 6794 1 1172 . 1 1 87 87 TYR CE1 C 13 116.757 0.000 . 1 . . . . 95 TYR CE1 . 6794 1 1173 . 1 1 87 87 TYR CE2 C 13 116.757 0.000 . 1 . . . . 95 TYR CE2 . 6794 1 1174 . 1 1 87 87 TYR N N 15 132.247 0.021 . 1 . . . . 95 TYR N . 6794 1 1175 . 1 1 88 88 THR H H 1 8.205 0.000 . 1 . . . . 96 THR H . 6794 1 1176 . 1 1 88 88 THR HA H 1 4.568 0.000 . 1 . . . . 96 THR HA . 6794 1 1177 . 1 1 88 88 THR HB H 1 3.467 0.003 . 1 . . . . 96 THR HB . 6794 1 1178 . 1 1 88 88 THR HG21 H 1 0.654 0.003 . 1 . . . . 96 THR HG2 . 6794 1 1179 . 1 1 88 88 THR HG22 H 1 0.654 0.003 . 1 . . . . 96 THR HG2 . 6794 1 1180 . 1 1 88 88 THR HG23 H 1 0.654 0.003 . 1 . . . . 96 THR HG2 . 6794 1 1181 . 1 1 88 88 THR C C 13 176.554 0.013 . 1 . . . . 96 THR C . 6794 1 1182 . 1 1 88 88 THR CA C 13 60.308 0.047 . 1 . . . . 96 THR CA . 6794 1 1183 . 1 1 88 88 THR CB C 13 71.050 0.052 . 1 . . . . 96 THR CB . 6794 1 1184 . 1 1 88 88 THR CG2 C 13 18.875 0.026 . 1 . . . . 96 THR CG2 . 6794 1 1185 . 1 1 88 88 THR N N 15 120.313 0.021 . 1 . . . . 96 THR N . 6794 1 1186 . 1 1 89 89 ARG H H 1 8.203 0.000 . 1 . . . . 97 ARG H . 6794 1 1187 . 1 1 89 89 ARG HA H 1 4.723 0.000 . 1 . . . . 97 ARG HA . 6794 1 1188 . 1 1 89 89 ARG HB2 H 1 1.178 0.006 . 2 . . . . 97 ARG HB2 . 6794 1 1189 . 1 1 89 89 ARG HB3 H 1 0.930 0.002 . 2 . . . . 97 ARG HB3 . 6794 1 1190 . 1 1 89 89 ARG HG2 H 1 0.162 0.002 . 2 . . . . 97 ARG HG2 . 6794 1 1191 . 1 1 89 89 ARG HG3 H 1 0.304 0.006 . 2 . . . . 97 ARG HG3 . 6794 1 1192 . 1 1 89 89 ARG HD2 H 1 2.575 0.006 . 2 . . . . 97 ARG HD2 . 6794 1 1193 . 1 1 89 89 ARG HD3 H 1 2.692 0.006 . 2 . . . . 97 ARG HD3 . 6794 1 1194 . 1 1 89 89 ARG HE H 1 6.421 0.000 . 1 . . . . 97 ARG HE . 6794 1 1195 . 1 1 89 89 ARG C C 13 172.362 0.000 . 1 . . . . 97 ARG C . 6794 1 1196 . 1 1 89 89 ARG CA C 13 52.529 0.017 . 1 . . . . 97 ARG CA . 6794 1 1197 . 1 1 89 89 ARG CB C 13 30.185 0.040 . 1 . . . . 97 ARG CB . 6794 1 1198 . 1 1 89 89 ARG CG C 13 25.257 0.062 . 1 . . . . 97 ARG CG . 6794 1 1199 . 1 1 89 89 ARG CD C 13 44.133 0.025 . 1 . . . . 97 ARG CD . 6794 1 1200 . 1 1 89 89 ARG N N 15 125.865 0.026 . 1 . . . . 97 ARG N . 6794 1 1201 . 1 1 89 89 ARG NE N 15 84.116 0.000 . 1 . . . . 97 ARG NE . 6794 1 1202 . 1 1 90 90 PRO HA H 1 3.836 0.002 . 1 . . . . 98 PRO HA . 6794 1 1203 . 1 1 90 90 PRO HB2 H 1 1.889 0.002 . 2 . . . . 98 PRO HB2 . 6794 1 1204 . 1 1 90 90 PRO HB3 H 1 2.096 0.015 . 2 . . . . 98 PRO HB3 . 6794 1 1205 . 1 1 90 90 PRO HG2 H 1 2.135 0.005 . 2 . . . . 98 PRO HG2 . 6794 1 1206 . 1 1 90 90 PRO HG3 H 1 1.720 0.008 . 2 . . . . 98 PRO HG3 . 6794 1 1207 . 1 1 90 90 PRO HD2 H 1 4.061 0.004 . 2 . . . . 98 PRO HD2 . 6794 1 1208 . 1 1 90 90 PRO HD3 H 1 3.769 0.003 . 2 . . . . 98 PRO HD3 . 6794 1 1209 . 1 1 90 90 PRO C C 13 171.083 0.000 . 1 . . . . 98 PRO C . 6794 1 1210 . 1 1 90 90 PRO CA C 13 65.608 0.043 . 1 . . . . 98 PRO CA . 6794 1 1211 . 1 1 90 90 PRO CB C 13 32.022 0.020 . 1 . . . . 98 PRO CB . 6794 1 1212 . 1 1 90 90 PRO CG C 13 27.887 0.048 . 1 . . . . 98 PRO CG . 6794 1 1213 . 1 1 90 90 PRO CD C 13 51.201 0.078 . 1 . . . . 98 PRO CD . 6794 1 1214 . 1 1 91 91 PHE H H 1 7.794 0.000 . 1 . . . . 99 PHE H . 6794 1 1215 . 1 1 91 91 PHE HA H 1 4.369 0.000 . 1 . . . . 99 PHE HA . 6794 1 1216 . 1 1 91 91 PHE HB2 H 1 3.161 0.002 . 2 . . . . 99 PHE HB2 . 6794 1 1217 . 1 1 91 91 PHE HB3 H 1 3.040 0.001 . 2 . . . . 99 PHE HB3 . 6794 1 1218 . 1 1 91 91 PHE HD1 H 1 7.187 0.020 . 1 . . . . 99 PHE HD1 . 6794 1 1219 . 1 1 91 91 PHE HD2 H 1 7.187 0.020 . 1 . . . . 99 PHE HD2 . 6794 1 1220 . 1 1 91 91 PHE HE1 H 1 7.256 0.005 . 1 . . . . 99 PHE HE1 . 6794 1 1221 . 1 1 91 91 PHE HE2 H 1 7.256 0.005 . 1 . . . . 99 PHE HE2 . 6794 1 1222 . 1 1 91 91 PHE C C 13 172.285 0.003 . 1 . . . . 99 PHE C . 6794 1 1223 . 1 1 91 91 PHE CA C 13 58.796 0.079 . 1 . . . . 99 PHE CA . 6794 1 1224 . 1 1 91 91 PHE CB C 13 37.594 0.047 . 1 . . . . 99 PHE CB . 6794 1 1225 . 1 1 91 91 PHE CD1 C 13 131.829 0.000 . 1 . . . . 99 PHE CD1 . 6794 1 1226 . 1 1 91 91 PHE CD2 C 13 131.829 0.000 . 1 . . . . 99 PHE CD2 . 6794 1 1227 . 1 1 91 91 PHE N N 15 112.374 0.029 . 1 . . . . 99 PHE N . 6794 1 1228 . 1 1 92 92 GLU H H 1 7.060 0.000 . 1 . . . . 100 GLU H . 6794 1 1229 . 1 1 92 92 GLU HA H 1 4.266 0.000 . 1 . . . . 100 GLU HA . 6794 1 1230 . 1 1 92 92 GLU HB2 H 1 1.747 0.008 . 2 . . . . 100 GLU HB2 . 6794 1 1231 . 1 1 92 92 GLU HB3 H 1 1.748 0.008 . 2 . . . . 100 GLU HB3 . 6794 1 1232 . 1 1 92 92 GLU HG2 H 1 2.075 0.007 . 2 . . . . 100 GLU HG2 . 6794 1 1233 . 1 1 92 92 GLU HG3 H 1 2.074 0.006 . 2 . . . . 100 GLU HG3 . 6794 1 1234 . 1 1 92 92 GLU C C 13 171.165 0.002 . 1 . . . . 100 GLU C . 6794 1 1235 . 1 1 92 92 GLU CA C 13 56.028 0.041 . 1 . . . . 100 GLU CA . 6794 1 1236 . 1 1 92 92 GLU CB C 13 31.178 0.156 . 1 . . . . 100 GLU CB . 6794 1 1237 . 1 1 92 92 GLU CG C 13 36.041 0.001 . 1 . . . . 100 GLU CG . 6794 1 1238 . 1 1 92 92 GLU N N 15 118.812 0.026 . 1 . . . . 100 GLU N . 6794 1 1239 . 1 1 93 93 GLY H H 1 7.383 0.000 . 1 . . . . 101 GLY H . 6794 1 1240 . 1 1 93 93 GLY HA2 H 1 4.171 0.000 . 2 . . . . 101 GLY HA2 . 6794 1 1241 . 1 1 93 93 GLY HA3 H 1 3.510 0.000 . 2 . . . . 101 GLY HA3 . 6794 1 1242 . 1 1 93 93 GLY C C 13 176.700 0.007 . 1 . . . . 101 GLY C . 6794 1 1243 . 1 1 93 93 GLY CA C 13 43.848 0.043 . 1 . . . . 101 GLY CA . 6794 1 1244 . 1 1 93 93 GLY N N 15 107.783 0.015 . 1 . . . . 101 GLY N . 6794 1 1245 . 1 1 94 94 ILE H H 1 7.987 0.000 . 1 . . . . 102 ILE H . 6794 1 1246 . 1 1 94 94 ILE HA H 1 3.968 0.000 . 1 . . . . 102 ILE HA . 6794 1 1247 . 1 1 94 94 ILE HB H 1 1.617 0.003 . 1 . . . . 102 ILE HB . 6794 1 1248 . 1 1 94 94 ILE HG12 H 1 1.025 0.003 . 2 . . . . 102 ILE HG12 . 6794 1 1249 . 1 1 94 94 ILE HG13 H 1 1.687 0.004 . 2 . . . . 102 ILE HG13 . 6794 1 1250 . 1 1 94 94 ILE HG21 H 1 0.813 0.004 . 1 . . . . 102 ILE HG2 . 6794 1 1251 . 1 1 94 94 ILE HG22 H 1 0.813 0.004 . 1 . . . . 102 ILE HG2 . 6794 1 1252 . 1 1 94 94 ILE HG23 H 1 0.813 0.004 . 1 . . . . 102 ILE HG2 . 6794 1 1253 . 1 1 94 94 ILE HD11 H 1 0.927 0.001 . 1 . . . . 102 ILE HD1 . 6794 1 1254 . 1 1 94 94 ILE HD12 H 1 0.927 0.001 . 1 . . . . 102 ILE HD1 . 6794 1 1255 . 1 1 94 94 ILE HD13 H 1 0.927 0.001 . 1 . . . . 102 ILE HD1 . 6794 1 1256 . 1 1 94 94 ILE C C 13 171.190 0.002 . 1 . . . . 102 ILE C . 6794 1 1257 . 1 1 94 94 ILE CA C 13 62.299 0.087 . 1 . . . . 102 ILE CA . 6794 1 1258 . 1 1 94 94 ILE CB C 13 37.922 0.047 . 1 . . . . 102 ILE CB . 6794 1 1259 . 1 1 94 94 ILE CG1 C 13 28.550 0.061 . 1 . . . . 102 ILE CG1 . 6794 1 1260 . 1 1 94 94 ILE CG2 C 13 17.303 0.014 . 1 . . . . 102 ILE CG2 . 6794 1 1261 . 1 1 94 94 ILE CD1 C 13 14.476 0.037 . 1 . . . . 102 ILE CD1 . 6794 1 1262 . 1 1 94 94 ILE N N 15 117.047 0.043 . 1 . . . . 102 ILE N . 6794 1 1263 . 1 1 95 95 LYS H H 1 7.742 0.000 . 1 . . . . 103 LYS H . 6794 1 1264 . 1 1 95 95 LYS HA H 1 4.888 0.000 . 1 . . . . 103 LYS HA . 6794 1 1265 . 1 1 95 95 LYS HB2 H 1 2.084 0.005 . 2 . . . . 103 LYS HB2 . 6794 1 1266 . 1 1 95 95 LYS HB3 H 1 1.497 0.009 . 2 . . . . 103 LYS HB3 . 6794 1 1267 . 1 1 95 95 LYS HG2 H 1 1.440 0.004 . 1 . . . . 103 LYS HG2 . 6794 1 1268 . 1 1 95 95 LYS HG3 H 1 1.440 0.004 . 1 . . . . 103 LYS HG3 . 6794 1 1269 . 1 1 95 95 LYS HD2 H 1 1.614 0.000 . 1 . . . . 103 LYS HD2 . 6794 1 1270 . 1 1 95 95 LYS HD3 H 1 1.614 0.000 . 1 . . . . 103 LYS HD3 . 6794 1 1271 . 1 1 95 95 LYS HE2 H 1 2.844 0.007 . 1 . . . . 103 LYS HE2 . 6794 1 1272 . 1 1 95 95 LYS HE3 H 1 2.844 0.007 . 1 . . . . 103 LYS HE3 . 6794 1 1273 . 1 1 95 95 LYS C C 13 171.887 0.000 . 1 . . . . 103 LYS C . 6794 1 1274 . 1 1 95 95 LYS CA C 13 51.970 0.002 . 1 . . . . 103 LYS CA . 6794 1 1275 . 1 1 95 95 LYS CB C 13 33.430 0.064 . 1 . . . . 103 LYS CB . 6794 1 1276 . 1 1 95 95 LYS CG C 13 23.768 0.043 . 1 . . . . 103 LYS CG . 6794 1 1277 . 1 1 95 95 LYS CD C 13 28.529 0.000 . 1 . . . . 103 LYS CD . 6794 1 1278 . 1 1 95 95 LYS CE C 13 42.247 0.000 . 1 . . . . 103 LYS CE . 6794 1 1279 . 1 1 95 95 LYS N N 15 128.105 0.023 . 1 . . . . 103 LYS N . 6794 1 1280 . 1 1 96 96 PRO HA H 1 4.241 0.003 . 1 . . . . 104 PRO HA . 6794 1 1281 . 1 1 96 96 PRO HB2 H 1 1.915 0.011 . 2 . . . . 104 PRO HB2 . 6794 1 1282 . 1 1 96 96 PRO HB3 H 1 2.388 0.010 . 2 . . . . 104 PRO HB3 . 6794 1 1283 . 1 1 96 96 PRO HG2 H 1 2.182 0.002 . 2 . . . . 104 PRO HG2 . 6794 1 1284 . 1 1 96 96 PRO HG3 H 1 2.015 0.004 . 2 . . . . 104 PRO HG3 . 6794 1 1285 . 1 1 96 96 PRO HD2 H 1 3.867 0.005 . 2 . . . . 104 PRO HD2 . 6794 1 1286 . 1 1 96 96 PRO HD3 H 1 3.797 0.001 . 2 . . . . 104 PRO HD3 . 6794 1 1287 . 1 1 96 96 PRO C C 13 170.708 0.000 . 1 . . . . 104 PRO C . 6794 1 1288 . 1 1 96 96 PRO CA C 13 65.344 0.036 . 1 . . . . 104 PRO CA . 6794 1 1289 . 1 1 96 96 PRO CB C 13 31.937 0.083 . 1 . . . . 104 PRO CB . 6794 1 1290 . 1 1 96 96 PRO CG C 13 27.567 0.037 . 1 . . . . 104 PRO CG . 6794 1 1291 . 1 1 96 96 PRO CD C 13 50.819 0.054 . 1 . . . . 104 PRO CD . 6794 1 1292 . 1 1 97 97 GLU H H 1 8.853 0.000 . 1 . . . . 105 GLU H . 6794 1 1293 . 1 1 97 97 GLU HA H 1 4.227 0.000 . 1 . . . . 105 GLU HA . 6794 1 1294 . 1 1 97 97 GLU HB2 H 1 2.055 0.024 . 2 . . . . 105 GLU HB2 . 6794 1 1295 . 1 1 97 97 GLU HB3 H 1 2.082 0.003 . 2 . . . . 105 GLU HB3 . 6794 1 1296 . 1 1 97 97 GLU HG2 H 1 2.284 0.003 . 1 . . . . 105 GLU HG2 . 6794 1 1297 . 1 1 97 97 GLU HG3 H 1 2.284 0.003 . 1 . . . . 105 GLU HG3 . 6794 1 1298 . 1 1 97 97 GLU C C 13 170.808 0.019 . 1 . . . . 105 GLU C . 6794 1 1299 . 1 1 97 97 GLU CA C 13 57.344 0.069 . 1 . . . . 105 GLU CA . 6794 1 1300 . 1 1 97 97 GLU CB C 13 28.557 0.044 . 1 . . . . 105 GLU CB . 6794 1 1301 . 1 1 97 97 GLU CG C 13 36.193 0.037 . 1 . . . . 105 GLU CG . 6794 1 1302 . 1 1 97 97 GLU N N 15 112.799 0.018 . 1 . . . . 105 GLU N . 6794 1 1303 . 1 1 98 98 ASN H H 1 7.780 0.000 . 1 . . . . 106 ASN H . 6794 1 1304 . 1 1 98 98 ASN HA H 1 4.854 0.000 . 1 . . . . 106 ASN HA . 6794 1 1305 . 1 1 98 98 ASN HB2 H 1 3.076 0.002 . 2 . . . . 106 ASN HB2 . 6794 1 1306 . 1 1 98 98 ASN HB3 H 1 2.582 0.007 . 2 . . . . 106 ASN HB3 . 6794 1 1307 . 1 1 98 98 ASN HD21 H 1 8.309 0.005 . 2 . . . . 106 ASN HD21 . 6794 1 1308 . 1 1 98 98 ASN HD22 H 1 7.771 0.000 . 2 . . . . 106 ASN HD22 . 6794 1 1309 . 1 1 98 98 ASN C C 13 172.206 0.002 . 1 . . . . 106 ASN C . 6794 1 1310 . 1 1 98 98 ASN CA C 13 53.639 0.046 . 1 . . . . 106 ASN CA . 6794 1 1311 . 1 1 98 98 ASN CB C 13 40.077 0.065 . 1 . . . . 106 ASN CB . 6794 1 1312 . 1 1 98 98 ASN N N 15 119.485 0.027 . 1 . . . . 106 ASN N . 6794 1 1313 . 1 1 98 98 ASN ND2 N 15 111.605 0.010 . 1 . . . . 106 ASN ND2 . 6794 1 1314 . 1 1 99 99 GLU H H 1 9.213 0.000 . 1 . . . . 107 GLU H . 6794 1 1315 . 1 1 99 99 GLU HA H 1 4.200 0.000 . 1 . . . . 107 GLU HA . 6794 1 1316 . 1 1 99 99 GLU HB2 H 1 2.043 0.004 . 2 . . . . 107 GLU HB2 . 6794 1 1317 . 1 1 99 99 GLU HB3 H 1 1.973 0.001 . 2 . . . . 107 GLU HB3 . 6794 1 1318 . 1 1 99 99 GLU HG2 H 1 2.451 0.014 . 2 . . . . 107 GLU HG2 . 6794 1 1319 . 1 1 99 99 GLU HG3 H 1 2.486 0.008 . 2 . . . . 107 GLU HG3 . 6794 1 1320 . 1 1 99 99 GLU C C 13 173.482 0.008 . 1 . . . . 107 GLU C . 6794 1 1321 . 1 1 99 99 GLU CA C 13 57.456 0.035 . 1 . . . . 107 GLU CA . 6794 1 1322 . 1 1 99 99 GLU CB C 13 30.021 0.066 . 1 . . . . 107 GLU CB . 6794 1 1323 . 1 1 99 99 GLU CG C 13 36.261 0.017 . 1 . . . . 107 GLU CG . 6794 1 1324 . 1 1 99 99 GLU N N 15 125.576 0.037 . 1 . . . . 107 GLU N . 6794 1 1325 . 1 1 100 100 ARG H H 1 8.506 0.000 . 1 . . . . 108 ARG H . 6794 1 1326 . 1 1 100 100 ARG HA H 1 5.371 0.000 . 1 . . . . 108 ARG HA . 6794 1 1327 . 1 1 100 100 ARG HB2 H 1 2.108 0.008 . 2 . . . . 108 ARG HB2 . 6794 1 1328 . 1 1 100 100 ARG HB3 H 1 1.762 0.005 . 2 . . . . 108 ARG HB3 . 6794 1 1329 . 1 1 100 100 ARG HG2 H 1 1.720 0.009 . 2 . . . . 108 ARG HG2 . 6794 1 1330 . 1 1 100 100 ARG HG3 H 1 1.754 0.016 . 2 . . . . 108 ARG HG3 . 6794 1 1331 . 1 1 100 100 ARG HD2 H 1 3.169 0.003 . 1 . . . . 108 ARG HD2 . 6794 1 1332 . 1 1 100 100 ARG HD3 H 1 3.169 0.003 . 1 . . . . 108 ARG HD3 . 6794 1 1333 . 1 1 100 100 ARG HE H 1 7.182 0.007 . 1 . . . . 108 ARG HE . 6794 1 1334 . 1 1 100 100 ARG C C 13 171.881 0.015 . 1 . . . . 108 ARG C . 6794 1 1335 . 1 1 100 100 ARG CA C 13 54.347 0.034 . 1 . . . . 108 ARG CA . 6794 1 1336 . 1 1 100 100 ARG CB C 13 34.971 0.029 . 1 . . . . 108 ARG CB . 6794 1 1337 . 1 1 100 100 ARG CG C 13 28.375 0.025 . 1 . . . . 108 ARG CG . 6794 1 1338 . 1 1 100 100 ARG CD C 13 43.313 0.017 . 1 . . . . 108 ARG CD . 6794 1 1339 . 1 1 100 100 ARG N N 15 120.506 0.049 . 1 . . . . 108 ARG N . 6794 1 1340 . 1 1 100 100 ARG NE N 15 85.769 0.020 . 1 . . . . 108 ARG NE . 6794 1 1341 . 1 1 101 101 TYR H H 1 8.461 0.007 . 1 . . . . 109 TYR H . 6794 1 1342 . 1 1 101 101 TYR HA H 1 4.697 0.000 . 1 . . . . 109 TYR HA . 6794 1 1343 . 1 1 101 101 TYR HB2 H 1 2.678 0.003 . 2 . . . . 109 TYR HB2 . 6794 1 1344 . 1 1 101 101 TYR HB3 H 1 2.544 0.009 . 2 . . . . 109 TYR HB3 . 6794 1 1345 . 1 1 101 101 TYR HD1 H 1 6.725 0.023 . 1 . . . . 109 TYR HD1 . 6794 1 1346 . 1 1 101 101 TYR HD2 H 1 6.725 0.023 . 1 . . . . 109 TYR HD2 . 6794 1 1347 . 1 1 101 101 TYR HE1 H 1 6.487 0.000 . 1 . . . . 109 TYR HE1 . 6794 1 1348 . 1 1 101 101 TYR HE2 H 1 6.487 0.000 . 1 . . . . 109 TYR HE2 . 6794 1 1349 . 1 1 101 101 TYR C C 13 174.202 0.000 . 1 . . . . 109 TYR C . 6794 1 1350 . 1 1 101 101 TYR CA C 13 59.057 0.074 . 1 . . . . 109 TYR CA . 6794 1 1351 . 1 1 101 101 TYR CB C 13 42.637 0.073 . 1 . . . . 109 TYR CB . 6794 1 1352 . 1 1 101 101 TYR CD1 C 13 132.543 0.000 . 1 . . . . 109 TYR CD1 . 6794 1 1353 . 1 1 101 101 TYR CD2 C 13 132.543 0.000 . 1 . . . . 109 TYR CD2 . 6794 1 1354 . 1 1 101 101 TYR CE1 C 13 117.816 0.000 . 1 . . . . 109 TYR CE1 . 6794 1 1355 . 1 1 101 101 TYR CE2 C 13 117.816 0.000 . 1 . . . . 109 TYR CE2 . 6794 1 1356 . 1 1 101 101 TYR N N 15 122.773 0.046 . 1 . . . . 109 TYR N . 6794 1 1357 . 1 1 102 102 THR H H 1 7.971 0.000 . 1 . . . . 110 THR H . 6794 1 1358 . 1 1 102 102 THR HA H 1 4.984 0.000 . 1 . . . . 110 THR HA . 6794 1 1359 . 1 1 102 102 THR HB H 1 3.717 0.002 . 1 . . . . 110 THR HB . 6794 1 1360 . 1 1 102 102 THR HG21 H 1 0.480 0.005 . 1 . . . . 110 THR HG2 . 6794 1 1361 . 1 1 102 102 THR HG22 H 1 0.480 0.005 . 1 . . . . 110 THR HG2 . 6794 1 1362 . 1 1 102 102 THR HG23 H 1 0.480 0.005 . 1 . . . . 110 THR HG2 . 6794 1 1363 . 1 1 102 102 THR C C 13 176.861 0.011 . 1 . . . . 110 THR C . 6794 1 1364 . 1 1 102 102 THR CA C 13 61.355 0.036 . 1 . . . . 110 THR CA . 6794 1 1365 . 1 1 102 102 THR CB C 13 70.081 0.020 . 1 . . . . 110 THR CB . 6794 1 1366 . 1 1 102 102 THR CG2 C 13 21.918 0.083 . 1 . . . . 110 THR CG2 . 6794 1 1367 . 1 1 102 102 THR N N 15 125.193 0.050 . 1 . . . . 110 THR N . 6794 1 1368 . 1 1 103 103 LEU H H 1 8.727 0.003 . 1 . . . . 111 LEU H . 6794 1 1369 . 1 1 103 103 LEU HA H 1 4.719 0.000 . 1 . . . . 111 LEU HA . 6794 1 1370 . 1 1 103 103 LEU HB2 H 1 1.806 0.001 . 2 . . . . 111 LEU HB2 . 6794 1 1371 . 1 1 103 103 LEU HB3 H 1 1.265 0.010 . 2 . . . . 111 LEU HB3 . 6794 1 1372 . 1 1 103 103 LEU HG H 1 1.269 0.008 . 1 . . . . 111 LEU HG . 6794 1 1373 . 1 1 103 103 LEU HD11 H 1 0.825 0.016 . 2 . . . . 111 LEU HD1 . 6794 1 1374 . 1 1 103 103 LEU HD12 H 1 0.825 0.016 . 2 . . . . 111 LEU HD1 . 6794 1 1375 . 1 1 103 103 LEU HD13 H 1 0.825 0.016 . 2 . . . . 111 LEU HD1 . 6794 1 1376 . 1 1 103 103 LEU HD21 H 1 0.864 0.012 . 2 . . . . 111 LEU HD2 . 6794 1 1377 . 1 1 103 103 LEU HD22 H 1 0.864 0.012 . 2 . . . . 111 LEU HD2 . 6794 1 1378 . 1 1 103 103 LEU HD23 H 1 0.864 0.012 . 2 . . . . 111 LEU HD2 . 6794 1 1379 . 1 1 103 103 LEU C C 13 174.114 0.002 . 1 . . . . 111 LEU C . 6794 1 1380 . 1 1 103 103 LEU CA C 13 52.369 0.079 . 1 . . . . 111 LEU CA . 6794 1 1381 . 1 1 103 103 LEU CB C 13 45.950 0.041 . 1 . . . . 111 LEU CB . 6794 1 1382 . 1 1 103 103 LEU CG C 13 27.530 0.000 . 1 . . . . 111 LEU CG . 6794 1 1383 . 1 1 103 103 LEU CD1 C 13 26.809 0.000 . 2 . . . . 111 LEU CD1 . 6794 1 1384 . 1 1 103 103 LEU CD2 C 13 23.396 0.000 . 2 . . . . 111 LEU CD2 . 6794 1 1385 . 1 1 103 103 LEU N N 15 127.272 0.035 . 1 . . . . 111 LEU N . 6794 1 1386 . 1 1 104 104 HIS H H 1 9.165 0.005 . 1 . . . . 112 HIS H . 6794 1 1387 . 1 1 104 104 HIS HA H 1 4.538 0.000 . 1 . . . . 112 HIS HA . 6794 1 1388 . 1 1 104 104 HIS HB2 H 1 2.277 0.004 . 2 . . . . 112 HIS HB2 . 6794 1 1389 . 1 1 104 104 HIS HB3 H 1 2.018 0.007 . 2 . . . . 112 HIS HB3 . 6794 1 1390 . 1 1 104 104 HIS HD2 H 1 6.014 0.027 . 1 . . . . 112 HIS HD2 . 6794 1 1391 . 1 1 104 104 HIS C C 13 174.585 0.025 . 1 . . . . 112 HIS C . 6794 1 1392 . 1 1 104 104 HIS CA C 13 54.208 0.056 . 1 . . . . 112 HIS CA . 6794 1 1393 . 1 1 104 104 HIS CB C 13 27.396 0.077 . 1 . . . . 112 HIS CB . 6794 1 1394 . 1 1 104 104 HIS CD2 C 13 120.251 0.000 . 1 . . . . 112 HIS CD2 . 6794 1 1395 . 1 1 104 104 HIS N N 15 126.676 0.015 . 1 . . . . 112 HIS N . 6794 1 1396 . 1 1 105 105 LEU H H 1 9.090 0.003 . 1 . . . . 113 LEU H . 6794 1 1397 . 1 1 105 105 LEU HA H 1 4.963 0.000 . 1 . . . . 113 LEU HA . 6794 1 1398 . 1 1 105 105 LEU HB2 H 1 1.667 0.003 . 2 . . . . 113 LEU HB2 . 6794 1 1399 . 1 1 105 105 LEU HB3 H 1 1.187 0.005 . 2 . . . . 113 LEU HB3 . 6794 1 1400 . 1 1 105 105 LEU HG H 1 1.368 0.004 . 1 . . . . 113 LEU HG . 6794 1 1401 . 1 1 105 105 LEU HD11 H 1 0.748 0.002 . 2 . . . . 113 LEU HD1 . 6794 1 1402 . 1 1 105 105 LEU HD12 H 1 0.748 0.002 . 2 . . . . 113 LEU HD1 . 6794 1 1403 . 1 1 105 105 LEU HD13 H 1 0.748 0.002 . 2 . . . . 113 LEU HD1 . 6794 1 1404 . 1 1 105 105 LEU HD21 H 1 0.746 0.006 . 2 . . . . 113 LEU HD2 . 6794 1 1405 . 1 1 105 105 LEU HD22 H 1 0.746 0.006 . 2 . . . . 113 LEU HD2 . 6794 1 1406 . 1 1 105 105 LEU HD23 H 1 0.746 0.006 . 2 . . . . 113 LEU HD2 . 6794 1 1407 . 1 1 105 105 LEU C C 13 173.749 0.008 . 1 . . . . 113 LEU C . 6794 1 1408 . 1 1 105 105 LEU CA C 13 54.711 0.042 . 1 . . . . 113 LEU CA . 6794 1 1409 . 1 1 105 105 LEU CB C 13 44.116 0.050 . 1 . . . . 113 LEU CB . 6794 1 1410 . 1 1 105 105 LEU CG C 13 27.379 0.064 . 1 . . . . 113 LEU CG . 6794 1 1411 . 1 1 105 105 LEU CD1 C 13 25.609 0.072 . 2 . . . . 113 LEU CD1 . 6794 1 1412 . 1 1 105 105 LEU CD2 C 13 27.100 0.008 . 2 . . . . 113 LEU CD2 . 6794 1 1413 . 1 1 105 105 LEU N N 15 123.906 0.047 . 1 . . . . 113 LEU N . 6794 1 1414 . 1 1 106 106 ASN H H 1 9.109 0.003 . 1 . . . . 114 ASN H . 6794 1 1415 . 1 1 106 106 ASN HA H 1 4.784 0.000 . 1 . . . . 114 ASN HA . 6794 1 1416 . 1 1 106 106 ASN HB2 H 1 3.366 0.003 . 2 . . . . 114 ASN HB2 . 6794 1 1417 . 1 1 106 106 ASN HB3 H 1 2.748 0.004 . 2 . . . . 114 ASN HB3 . 6794 1 1418 . 1 1 106 106 ASN HD21 H 1 7.673 0.000 . 2 . . . . 114 ASN HD21 . 6794 1 1419 . 1 1 106 106 ASN HD22 H 1 6.667 0.003 . 2 . . . . 114 ASN HD22 . 6794 1 1420 . 1 1 106 106 ASN C C 13 174.380 0.000 . 1 . . . . 114 ASN C . 6794 1 1421 . 1 1 106 106 ASN CA C 13 52.087 0.040 . 1 . . . . 114 ASN CA . 6794 1 1422 . 1 1 106 106 ASN CB C 13 37.591 0.007 . 1 . . . . 114 ASN CB . 6794 1 1423 . 1 1 106 106 ASN N N 15 124.436 0.028 . 1 . . . . 114 ASN N . 6794 1 1424 . 1 1 106 106 ASN ND2 N 15 110.825 0.039 . 1 . . . . 114 ASN ND2 . 6794 1 1425 . 1 1 107 107 VAL H H 1 8.768 0.004 . 1 . . . . 115 VAL H . 6794 1 1426 . 1 1 107 107 VAL HA H 1 3.755 0.000 . 1 . . . . 115 VAL HA . 6794 1 1427 . 1 1 107 107 VAL HB H 1 2.650 0.006 . 1 . . . . 115 VAL HB . 6794 1 1428 . 1 1 107 107 VAL HG11 H 1 0.821 0.005 . 1 . . . . 115 VAL HG1 . 6794 1 1429 . 1 1 107 107 VAL HG12 H 1 0.821 0.005 . 1 . . . . 115 VAL HG1 . 6794 1 1430 . 1 1 107 107 VAL HG13 H 1 0.821 0.005 . 1 . . . . 115 VAL HG1 . 6794 1 1431 . 1 1 107 107 VAL HG21 H 1 0.890 0.003 . 1 . . . . 115 VAL HG2 . 6794 1 1432 . 1 1 107 107 VAL HG22 H 1 0.890 0.003 . 1 . . . . 115 VAL HG2 . 6794 1 1433 . 1 1 107 107 VAL HG23 H 1 0.890 0.003 . 1 . . . . 115 VAL HG2 . 6794 1 1434 . 1 1 107 107 VAL C C 13 172.506 0.003 . 1 . . . . 115 VAL C . 6794 1 1435 . 1 1 107 107 VAL CA C 13 62.450 0.052 . 1 . . . . 115 VAL CA . 6794 1 1436 . 1 1 107 107 VAL CB C 13 30.955 0.096 . 1 . . . . 115 VAL CB . 6794 1 1437 . 1 1 107 107 VAL CG1 C 13 21.333 0.052 . 2 . . . . 115 VAL CG1 . 6794 1 1438 . 1 1 107 107 VAL CG2 C 13 23.430 0.098 . 2 . . . . 115 VAL CG2 . 6794 1 1439 . 1 1 107 107 VAL N N 15 124.842 0.044 . 1 . . . . 115 VAL N . 6794 1 1440 . 1 1 108 108 LYS H H 1 8.356 0.000 . 1 . . . . 116 LYS H . 6794 1 1441 . 1 1 108 108 LYS HA H 1 4.268 0.000 . 1 . . . . 116 LYS HA . 6794 1 1442 . 1 1 108 108 LYS HB2 H 1 1.479 0.004 . 2 . . . . 116 LYS HB2 . 6794 1 1443 . 1 1 108 108 LYS HB3 H 1 1.906 0.002 . 2 . . . . 116 LYS HB3 . 6794 1 1444 . 1 1 108 108 LYS HG2 H 1 1.334 0.016 . 2 . . . . 116 LYS HG2 . 6794 1 1445 . 1 1 108 108 LYS HG3 H 1 1.362 0.012 . 2 . . . . 116 LYS HG3 . 6794 1 1446 . 1 1 108 108 LYS HD2 H 1 1.628 0.000 . 1 . . . . 116 LYS HD2 . 6794 1 1447 . 1 1 108 108 LYS HD3 H 1 1.628 0.000 . 1 . . . . 116 LYS HD3 . 6794 1 1448 . 1 1 108 108 LYS HE2 H 1 2.920 0.001 . 1 . . . . 116 LYS HE2 . 6794 1 1449 . 1 1 108 108 LYS HE3 H 1 2.920 0.001 . 1 . . . . 116 LYS HE3 . 6794 1 1450 . 1 1 108 108 LYS C C 13 167.212 0.000 . 1 . . . . 116 LYS C . 6794 1 1451 . 1 1 108 108 LYS CA C 13 57.752 0.019 . 1 . . . . 116 LYS CA . 6794 1 1452 . 1 1 108 108 LYS CB C 13 34.105 0.026 . 1 . . . . 116 LYS CB . 6794 1 1453 . 1 1 108 108 LYS CG C 13 25.351 0.022 . 1 . . . . 116 LYS CG . 6794 1 1454 . 1 1 108 108 LYS CD C 13 29.230 0.000 . 1 . . . . 116 LYS CD . 6794 1 1455 . 1 1 108 108 LYS CE C 13 42.213 0.000 . 1 . . . . 116 LYS CE . 6794 1 1456 . 1 1 108 108 LYS N N 15 136.358 0.033 . 1 . . . . 116 LYS N . 6794 1 stop_ save_