data_6760 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6760 _Entry.Title ; NMR assignment of the mTOR domain responsible for rapamycin binding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-04 _Entry.Accession_date 2005-08-05 _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 . _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 Vaclav Veverka . . . 6760 2 Gregor Lennie . . . 6760 3 Tom Crabbe . . . 6760 4 Ian Bird . . . 6760 5 Richard Taylor . J. . 6760 6 Mark Carr . D. . 6760 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Biochemistry, University of Leicester' . 6760 . . 'UCB R&D' . 6760 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6760 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 6760 '15N chemical shifts' 117 6760 '1H chemical shifts' 803 6760 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 . . 2007-02-05 2005-08-04 update BMRB 'complete entry citation' 6760 1 . . 2006-03-10 2005-08-04 original author 'original release' 6760 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NPU 'BMRB Entry Tracking System' 6760 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6760 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16456707 _Citation.Full_citation . _Citation.Title 'NMR assignment of the mTOR domain responsible for rapamycin binding' _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 3 _Citation.Page_last 3 _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 Vaclav Veverka . . . 6760 1 2 Gregor Lennie . . . 6760 1 3 Tom Crabbe . . . 6760 1 4 Ian Bird . . . 6760 1 5 Richard Taylor . J. . 6760 1 6 Mark Carr . D. . 6760 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FRB domain' 6760 1 mTOR 6760 1 'NMR resonance assignments' 6760 1 'secondary structure' 6760 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6760 _Assembly.ID 1 _Assembly.Name 'FRB domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'mTOR domain responsible for rapamycin binding' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FRB domain' 1 $FRB_domain_polypeptide . . yes native yes no . . . 6760 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FRB_domain_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode FRB_domain_polypeptide _Entity.Entry_ID 6760 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FRB domain' _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 ; MSYYHHHHHHDYDIPTTENL YFQGAMELIRVPILWHEMWH EGLEEASRLYFGERNVKGMF EVLEPLHAMMERGPQTLKET SFNQAYGRDLMEAQEWCRKY MKSGNVKDLTQAWDLYYHVF RRISKQ ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11471 . entity_2 . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 2 no BMRB 16933 . FRB . . . . . 79.37 102 99.00 99.00 8.71e-67 . . . . 6760 1 3 no PDB 1AUE . "Fkbp-Rapamycin Binding Domain (Frb) Of The Fkbp-Rapamycin Associated Protein" . . . . . 79.37 100 99.00 99.00 1.11e-66 . . . . 6760 1 4 no PDB 1FAP . "The Structure Of The Immunophilin-Immunosuppressant Fkbp12- Rapamycin Complex Interacting With Human Frap" . . . . . 74.60 95 98.94 98.94 2.66e-62 . . . . 6760 1 5 no PDB 1NSG . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-rapamycin Complex Interacting With Human Frap" . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 6 no PDB 2FAP . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-(c16)- Ethoxy Rapamycin Complex Interacting With Huma" . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 7 no PDB 2GAQ . "Nmr Solution Structure Of The Frb Domain Of Mtor" . . . . . 79.37 100 99.00 99.00 1.11e-66 . . . . 6760 1 8 no PDB 2NPU . "The Solution Structure Of The Rapamycin-Binding Domain Of Mtor (Frb)" . . . . . 100.00 126 100.00 100.00 3.65e-89 . . . . 6760 1 9 no PDB 2RSE . "Nmr Structure Of Fkbp12-Mtor Frb Domain-Rapamycin Complex Structure Determined Based On Pcs" . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 10 no PDB 3FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 11 no PDB 4DRH . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor At Low Ph" . . . . . 71.43 98 100.00 100.00 2.07e-59 . . . . 6760 1 12 no PDB 4DRI . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor" . . . . . 71.43 98 100.00 100.00 2.07e-59 . . . . 6760 1 13 no PDB 4DRJ . "O-crystal Structure Of The Ppiase Domain Of Fkbp52, Rapamycin And The Frb Fragment Of Mtor" . . . . . 71.43 98 100.00 100.00 2.07e-59 . . . . 6760 1 14 no PDB 4FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 74.60 94 98.94 98.94 2.58e-62 . . . . 6760 1 15 no REF XP_007536126 . "PREDICTED: serine/threonine-protein kinase mTOR [Erinaceus europaeus]" . . . . . 79.37 2607 98.00 98.00 8.91e-60 . . . . 6760 1 16 no REF XP_007895970 . "PREDICTED: serine/threonine-protein kinase mTOR [Callorhinchus milii]" . . . . . 79.37 2515 97.00 98.00 1.71e-59 . . . . 6760 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6760 1 2 . SER . 6760 1 3 . TYR . 6760 1 4 . TYR . 6760 1 5 . HIS . 6760 1 6 . HIS . 6760 1 7 . HIS . 6760 1 8 . HIS . 6760 1 9 . HIS . 6760 1 10 . HIS . 6760 1 11 . ASP . 6760 1 12 . TYR . 6760 1 13 . ASP . 6760 1 14 . ILE . 6760 1 15 . PRO . 6760 1 16 . THR . 6760 1 17 . THR . 6760 1 18 . GLU . 6760 1 19 . ASN . 6760 1 20 . LEU . 6760 1 21 . TYR . 6760 1 22 . PHE . 6760 1 23 . GLN . 6760 1 24 . GLY . 6760 1 25 . ALA . 6760 1 26 . MET . 6760 1 27 . GLU . 6760 1 28 . LEU . 6760 1 29 . ILE . 6760 1 30 . ARG . 6760 1 31 . VAL . 6760 1 32 . PRO . 6760 1 33 . ILE . 6760 1 34 . LEU . 6760 1 35 . TRP . 6760 1 36 . HIS . 6760 1 37 . GLU . 6760 1 38 . MET . 6760 1 39 . TRP . 6760 1 40 . HIS . 6760 1 41 . GLU . 6760 1 42 . GLY . 6760 1 43 . LEU . 6760 1 44 . GLU . 6760 1 45 . GLU . 6760 1 46 . ALA . 6760 1 47 . SER . 6760 1 48 . ARG . 6760 1 49 . LEU . 6760 1 50 . TYR . 6760 1 51 . PHE . 6760 1 52 . GLY . 6760 1 53 . GLU . 6760 1 54 . ARG . 6760 1 55 . ASN . 6760 1 56 . VAL . 6760 1 57 . LYS . 6760 1 58 . GLY . 6760 1 59 . MET . 6760 1 60 . PHE . 6760 1 61 . GLU . 6760 1 62 . VAL . 6760 1 63 . LEU . 6760 1 64 . GLU . 6760 1 65 . PRO . 6760 1 66 . LEU . 6760 1 67 . HIS . 6760 1 68 . ALA . 6760 1 69 . MET . 6760 1 70 . MET . 6760 1 71 . GLU . 6760 1 72 . ARG . 6760 1 73 . GLY . 6760 1 74 . PRO . 6760 1 75 . GLN . 6760 1 76 . THR . 6760 1 77 . LEU . 6760 1 78 . LYS . 6760 1 79 . GLU . 6760 1 80 . THR . 6760 1 81 . SER . 6760 1 82 . PHE . 6760 1 83 . ASN . 6760 1 84 . GLN . 6760 1 85 . ALA . 6760 1 86 . TYR . 6760 1 87 . GLY . 6760 1 88 . ARG . 6760 1 89 . ASP . 6760 1 90 . LEU . 6760 1 91 . MET . 6760 1 92 . GLU . 6760 1 93 . ALA . 6760 1 94 . GLN . 6760 1 95 . GLU . 6760 1 96 . TRP . 6760 1 97 . CYS . 6760 1 98 . ARG . 6760 1 99 . LYS . 6760 1 100 . TYR . 6760 1 101 . MET . 6760 1 102 . LYS . 6760 1 103 . SER . 6760 1 104 . GLY . 6760 1 105 . ASN . 6760 1 106 . VAL . 6760 1 107 . LYS . 6760 1 108 . ASP . 6760 1 109 . LEU . 6760 1 110 . THR . 6760 1 111 . GLN . 6760 1 112 . ALA . 6760 1 113 . TRP . 6760 1 114 . ASP . 6760 1 115 . LEU . 6760 1 116 . TYR . 6760 1 117 . TYR . 6760 1 118 . HIS . 6760 1 119 . VAL . 6760 1 120 . PHE . 6760 1 121 . ARG . 6760 1 122 . ARG . 6760 1 123 . ILE . 6760 1 124 . SER . 6760 1 125 . LYS . 6760 1 126 . GLN . 6760 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6760 1 . SER 2 2 6760 1 . TYR 3 3 6760 1 . TYR 4 4 6760 1 . HIS 5 5 6760 1 . HIS 6 6 6760 1 . HIS 7 7 6760 1 . HIS 8 8 6760 1 . HIS 9 9 6760 1 . HIS 10 10 6760 1 . ASP 11 11 6760 1 . TYR 12 12 6760 1 . ASP 13 13 6760 1 . ILE 14 14 6760 1 . PRO 15 15 6760 1 . THR 16 16 6760 1 . THR 17 17 6760 1 . GLU 18 18 6760 1 . ASN 19 19 6760 1 . LEU 20 20 6760 1 . TYR 21 21 6760 1 . PHE 22 22 6760 1 . GLN 23 23 6760 1 . GLY 24 24 6760 1 . ALA 25 25 6760 1 . MET 26 26 6760 1 . GLU 27 27 6760 1 . LEU 28 28 6760 1 . ILE 29 29 6760 1 . ARG 30 30 6760 1 . VAL 31 31 6760 1 . PRO 32 32 6760 1 . ILE 33 33 6760 1 . LEU 34 34 6760 1 . TRP 35 35 6760 1 . HIS 36 36 6760 1 . GLU 37 37 6760 1 . MET 38 38 6760 1 . TRP 39 39 6760 1 . HIS 40 40 6760 1 . GLU 41 41 6760 1 . GLY 42 42 6760 1 . LEU 43 43 6760 1 . GLU 44 44 6760 1 . GLU 45 45 6760 1 . ALA 46 46 6760 1 . SER 47 47 6760 1 . ARG 48 48 6760 1 . LEU 49 49 6760 1 . TYR 50 50 6760 1 . PHE 51 51 6760 1 . GLY 52 52 6760 1 . GLU 53 53 6760 1 . ARG 54 54 6760 1 . ASN 55 55 6760 1 . VAL 56 56 6760 1 . LYS 57 57 6760 1 . GLY 58 58 6760 1 . MET 59 59 6760 1 . PHE 60 60 6760 1 . GLU 61 61 6760 1 . VAL 62 62 6760 1 . LEU 63 63 6760 1 . GLU 64 64 6760 1 . PRO 65 65 6760 1 . LEU 66 66 6760 1 . HIS 67 67 6760 1 . ALA 68 68 6760 1 . MET 69 69 6760 1 . MET 70 70 6760 1 . GLU 71 71 6760 1 . ARG 72 72 6760 1 . GLY 73 73 6760 1 . PRO 74 74 6760 1 . GLN 75 75 6760 1 . THR 76 76 6760 1 . LEU 77 77 6760 1 . LYS 78 78 6760 1 . GLU 79 79 6760 1 . THR 80 80 6760 1 . SER 81 81 6760 1 . PHE 82 82 6760 1 . ASN 83 83 6760 1 . GLN 84 84 6760 1 . ALA 85 85 6760 1 . TYR 86 86 6760 1 . GLY 87 87 6760 1 . ARG 88 88 6760 1 . ASP 89 89 6760 1 . LEU 90 90 6760 1 . MET 91 91 6760 1 . GLU 92 92 6760 1 . ALA 93 93 6760 1 . GLN 94 94 6760 1 . GLU 95 95 6760 1 . TRP 96 96 6760 1 . CYS 97 97 6760 1 . ARG 98 98 6760 1 . LYS 99 99 6760 1 . TYR 100 100 6760 1 . MET 101 101 6760 1 . LYS 102 102 6760 1 . SER 103 103 6760 1 . GLY 104 104 6760 1 . ASN 105 105 6760 1 . VAL 106 106 6760 1 . LYS 107 107 6760 1 . ASP 108 108 6760 1 . LEU 109 109 6760 1 . THR 110 110 6760 1 . GLN 111 111 6760 1 . ALA 112 112 6760 1 . TRP 113 113 6760 1 . ASP 114 114 6760 1 . LEU 115 115 6760 1 . TYR 116 116 6760 1 . TYR 117 117 6760 1 . HIS 118 118 6760 1 . VAL 119 119 6760 1 . PHE 120 120 6760 1 . ARG 121 121 6760 1 . ARG 122 122 6760 1 . ILE 123 123 6760 1 . SER 124 124 6760 1 . LYS 125 125 6760 1 . GLN 126 126 6760 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6760 _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 $FRB_domain_polypeptide . 9606 organism no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6760 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 6760 _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 $FRB_domain_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6760 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6760 _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 'FRB domain' [U-15N] . . 1 $FRB_domain_polypeptide . . 0.1 . . mM . . . . 6760 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6760 _Sample.ID 2 _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 'FRB domain' '[U-15N; U-13C]' . . 1 $FRB_domain_polypeptide . . 0.1 . . mM . . . . 6760 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6760 _Sample.ID 3 _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 'FRB domain' . . . 1 $FRB_domain_polypeptide . . 0.1 . . mM . . . . 6760 3 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 6760 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6760 1 temperature 298 1 K 6760 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_Mhz _NMR_spectrometer.Entry_ID 6760 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6760 _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 1H15N_HSQC_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600_Mhz . . . . . . . . . . . . . . . . 6760 1 2 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600_Mhz . . . . . . . . . . . . . . . . 6760 1 3 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600_Mhz . . . . . . . . . . . . . . . . 6760 1 4 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600_Mhz . . . . . . . . . . . . . . . . 6760 1 5 1H13C_HSQC_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600_Mhz . . . . . . . . . . . . . . . . 6760 1 stop_ save_ save_1H15N_HSQC_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC_NOESY _NMR_spec_expt.Entry_ID 6760 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 6760 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6760 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 6760 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC_NOESY _NMR_spec_expt.Entry_ID 6760 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 1H13C_HSQC_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6760 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6760 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6760 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6760 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 6760 _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 . 1H15N_HSQC_NOESY 1 $sample_1 isotropic 6760 1 . HNCACB 2 $sample_2 isotropic 6760 1 . CBCACONH 2 $sample_2 isotropic 6760 1 . HCCH-TOCSY 2 $sample_2 isotropic 6760 1 . 1H13C_HSQC_NOESY 3 $sample_3 isotropic 6760 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 45.5 0.15 . 1 . . . . 1 MET CA . 6760 1 2 . 1 1 2 2 SER H H 1 8.12 0.015 . 1 . . . . 2 SER HN . 6760 1 3 . 1 1 2 2 SER HA H 1 4.32 0.015 . 1 . . . . 2 SER HA . 6760 1 4 . 1 1 2 2 SER HB2 H 1 3.74 0.015 . 2 . . . . 2 SER HB2 . 6760 1 5 . 1 1 2 2 SER HB3 H 1 3.80 0.015 . 2 . . . . 2 SER HB3 . 6760 1 6 . 1 1 2 2 SER CA C 13 58.6 0.15 . 1 . . . . 2 SER CA . 6760 1 7 . 1 1 2 2 SER CB C 13 63.9 0.15 . 1 . . . . 2 SER CB . 6760 1 8 . 1 1 2 2 SER N N 15 115.7 0.15 . 1 . . . . 2 SER N . 6760 1 9 . 1 1 3 3 TYR H H 1 8.53 0.015 . 1 . . . . 3 TYR HN . 6760 1 10 . 1 1 3 3 TYR HA H 1 4.16 0.015 . 1 . . . . 3 TYR HA . 6760 1 11 . 1 1 3 3 TYR CA C 13 56.9 0.15 . 1 . . . . 3 TYR CA . 6760 1 12 . 1 1 3 3 TYR CB C 13 30.0 0.15 . 1 . . . . 3 TYR CB . 6760 1 13 . 1 1 3 3 TYR N N 15 122.5 0.15 . 1 . . . . 3 TYR N . 6760 1 14 . 1 1 4 4 TYR H H 1 7.94 0.015 . 1 . . . . 4 TYR HN . 6760 1 15 . 1 1 4 4 TYR HA H 1 4.35 0.015 . 1 . . . . 4 TYR HA . 6760 1 16 . 1 1 4 4 TYR HB2 H 1 2.71 0.015 . 1 . . . . 4 TYR HB2 . 6760 1 17 . 1 1 4 4 TYR HB3 H 1 2.71 0.015 . 1 . . . . 4 TYR HB3 . 6760 1 18 . 1 1 4 4 TYR CA C 13 58.0 0.15 . 1 . . . . 4 TYR CA . 6760 1 19 . 1 1 4 4 TYR CB C 13 39.0 0.15 . 1 . . . . 4 TYR CB . 6760 1 20 . 1 1 4 4 TYR N N 15 121.6 0.15 . 1 . . . . 4 TYR N . 6760 1 21 . 1 1 9 9 HIS CA C 13 60.9 0.15 . 1 . . . . 9 HIS CA . 6760 1 22 . 1 1 10 10 HIS H H 1 8.11 0.015 . 1 . . . . 10 HIS HN . 6760 1 23 . 1 1 10 10 HIS HA H 1 3.89 0.015 . 1 . . . . 10 HIS HA . 6760 1 24 . 1 1 10 10 HIS HB2 H 1 2.90 0.015 . 1 . . . . 10 HIS HB2 . 6760 1 25 . 1 1 10 10 HIS HB3 H 1 2.90 0.015 . 1 . . . . 10 HIS HB3 . 6760 1 26 . 1 1 10 10 HIS CA C 13 56.1 0.15 . 1 . . . . 10 HIS CA . 6760 1 27 . 1 1 10 10 HIS CB C 13 30.4 0.15 . 1 . . . . 10 HIS CB . 6760 1 28 . 1 1 10 10 HIS N N 15 126.5 0.15 . 1 . . . . 10 HIS N . 6760 1 29 . 1 1 11 11 ASP H H 1 8.33 0.015 . 1 . . . . 11 ASP HN . 6760 1 30 . 1 1 11 11 ASP HA H 1 4.42 0.015 . 1 . . . . 11 ASP HA . 6760 1 31 . 1 1 11 11 ASP HB2 H 1 2.49 0.015 . 2 . . . . 11 ASP HB2 . 6760 1 32 . 1 1 11 11 ASP HB3 H 1 2.38 0.015 . 2 . . . . 11 ASP HB3 . 6760 1 33 . 1 1 11 11 ASP CA C 13 54.5 0.15 . 1 . . . . 11 ASP CA . 6760 1 34 . 1 1 11 11 ASP CB C 13 40.9 0.15 . 1 . . . . 11 ASP CB . 6760 1 35 . 1 1 11 11 ASP N N 15 121.5 0.15 . 1 . . . . 11 ASP N . 6760 1 36 . 1 1 12 12 TYR H H 1 7.85 0.015 . 1 . . . . 12 TYR HN . 6760 1 37 . 1 1 12 12 TYR HA H 1 4.42 0.015 . 1 . . . . 12 TYR HA . 6760 1 38 . 1 1 12 12 TYR HB2 H 1 2.95 0.015 . 2 . . . . 12 TYR HB2 . 6760 1 39 . 1 1 12 12 TYR HB3 H 1 2.79 0.015 . 2 . . . . 12 TYR HB3 . 6760 1 40 . 1 1 12 12 TYR HD1 H 1 6.95 0.015 . 1 . . . . 12 TYR HD1 . 6760 1 41 . 1 1 12 12 TYR HD2 H 1 6.95 0.015 . 1 . . . . 12 TYR HD2 . 6760 1 42 . 1 1 12 12 TYR HE1 H 1 6.64 0.015 . 1 . . . . 12 TYR HE1 . 6760 1 43 . 1 1 12 12 TYR HE2 H 1 6.64 0.015 . 1 . . . . 12 TYR HE2 . 6760 1 44 . 1 1 12 12 TYR CA C 13 57.5 0.15 . 1 . . . . 12 TYR CA . 6760 1 45 . 1 1 12 12 TYR CB C 13 38.6 0.15 . 1 . . . . 12 TYR CB . 6760 1 46 . 1 1 12 12 TYR N N 15 119.1 0.15 . 1 . . . . 12 TYR N . 6760 1 47 . 1 1 13 13 ASP H H 1 8.15 0.015 . 1 . . . . 13 ASP HN . 6760 1 48 . 1 1 13 13 ASP HA H 1 4.51 0.015 . 1 . . . . 13 ASP HA . 6760 1 49 . 1 1 13 13 ASP HB2 H 1 2.53 0.015 . 2 . . . . 13 ASP HB2 . 6760 1 50 . 1 1 13 13 ASP HB3 H 1 2.45 0.015 . 2 . . . . 13 ASP HB3 . 6760 1 51 . 1 1 13 13 ASP CA C 13 54.2 0.15 . 1 . . . . 13 ASP CA . 6760 1 52 . 1 1 13 13 ASP CB C 13 41.1 0.15 . 1 . . . . 13 ASP CB . 6760 1 53 . 1 1 13 13 ASP N N 15 121.6 0.15 . 1 . . . . 13 ASP N . 6760 1 54 . 1 1 14 14 ILE H H 1 7.83 0.015 . 1 . . . . 14 ILE HN . 6760 1 55 . 1 1 14 14 ILE HA H 1 4.27 0.015 . 1 . . . . 14 ILE HA . 6760 1 56 . 1 1 14 14 ILE HB H 1 1.72 0.015 . 1 . . . . 14 ILE HB . 6760 1 57 . 1 1 14 14 ILE HG12 H 1 1.36 0.015 . 2 . . . . 14 ILE HG12 . 6760 1 58 . 1 1 14 14 ILE HG13 H 1 1.00 0.015 . 2 . . . . 14 ILE HG13 . 6760 1 59 . 1 1 14 14 ILE HG21 H 1 0.80 0.015 . 1 . . . . 14 ILE HG2 . 6760 1 60 . 1 1 14 14 ILE HG22 H 1 0.80 0.015 . 1 . . . . 14 ILE HG2 . 6760 1 61 . 1 1 14 14 ILE HG23 H 1 0.80 0.015 . 1 . . . . 14 ILE HG2 . 6760 1 62 . 1 1 14 14 ILE HD11 H 1 0.71 0.015 . 1 . . . . 14 ILE HD1 . 6760 1 63 . 1 1 14 14 ILE HD12 H 1 0.71 0.015 . 1 . . . . 14 ILE HD1 . 6760 1 64 . 1 1 14 14 ILE HD13 H 1 0.71 0.015 . 1 . . . . 14 ILE HD1 . 6760 1 65 . 1 1 14 14 ILE CA C 13 58.8 0.15 . 1 . . . . 14 ILE CA . 6760 1 66 . 1 1 14 14 ILE CB C 13 38.5 0.15 . 1 . . . . 14 ILE CB . 6760 1 67 . 1 1 14 14 ILE CG1 C 13 27.0 0.15 . 1 . . . . 14 ILE CG1 . 6760 1 68 . 1 1 14 14 ILE CG2 C 13 17.1 0.15 . 1 . . . . 14 ILE CG2 . 6760 1 69 . 1 1 14 14 ILE CD1 C 13 12.8 0.15 . 1 . . . . 14 ILE CD1 . 6760 1 70 . 1 1 14 14 ILE N N 15 122.1 0.15 . 1 . . . . 14 ILE N . 6760 1 71 . 1 1 15 15 PRO HA H 1 4.38 0.015 . 1 . . . . 15 PRO HA . 6760 1 72 . 1 1 15 15 PRO HB2 H 1 2.17 0.015 . 2 . . . . 15 PRO HB2 . 6760 1 73 . 1 1 15 15 PRO HB3 H 1 1.80 0.015 . 2 . . . . 15 PRO HB3 . 6760 1 74 . 1 1 15 15 PRO HG2 H 1 1.92 0.015 . 2 . . . . 15 PRO HG2 . 6760 1 75 . 1 1 15 15 PRO HG3 H 1 1.85 0.015 . 2 . . . . 15 PRO HG3 . 6760 1 76 . 1 1 15 15 PRO HD2 H 1 3.55 0.015 . 2 . . . . 15 PRO HD2 . 6760 1 77 . 1 1 15 15 PRO HD3 H 1 3.75 0.015 . 2 . . . . 15 PRO HD3 . 6760 1 78 . 1 1 15 15 PRO CA C 13 63.2 0.15 . 1 . . . . 15 PRO CA . 6760 1 79 . 1 1 15 15 PRO CB C 13 32.1 0.15 . 1 . . . . 15 PRO CB . 6760 1 80 . 1 1 15 15 PRO CG C 13 27.4 0.15 . 1 . . . . 15 PRO CG . 6760 1 81 . 1 1 15 15 PRO CD C 13 51.0 0.15 . 1 . . . . 15 PRO CD . 6760 1 82 . 1 1 16 16 THR H H 1 8.20 0.015 . 1 . . . . 16 THR HN . 6760 1 83 . 1 1 16 16 THR HA H 1 4.29 0.015 . 1 . . . . 16 THR HA . 6760 1 84 . 1 1 16 16 THR HB H 1 4.18 0.015 . 1 . . . . 16 THR HB . 6760 1 85 . 1 1 16 16 THR HG21 H 1 1.11 0.015 . 1 . . . . 16 THR HG2 . 6760 1 86 . 1 1 16 16 THR HG22 H 1 1.11 0.015 . 1 . . . . 16 THR HG2 . 6760 1 87 . 1 1 16 16 THR HG23 H 1 1.11 0.015 . 1 . . . . 16 THR HG2 . 6760 1 88 . 1 1 16 16 THR CA C 13 61.8 0.15 . 1 . . . . 16 THR CA . 6760 1 89 . 1 1 16 16 THR CB C 13 69.9 0.15 . 1 . . . . 16 THR CB . 6760 1 90 . 1 1 16 16 THR CG2 C 13 21.5 0.15 . 1 . . . . 16 THR CG2 . 6760 1 91 . 1 1 16 16 THR N N 15 114.4 0.15 . 1 . . . . 16 THR N . 6760 1 92 . 1 1 17 17 THR H H 1 7.99 0.015 . 1 . . . . 17 THR HN . 6760 1 93 . 1 1 17 17 THR HA H 1 4.19 0.015 . 1 . . . . 17 THR HA . 6760 1 94 . 1 1 17 17 THR HB H 1 4.15 0.015 . 1 . . . . 17 THR HB . 6760 1 95 . 1 1 17 17 THR HG21 H 1 1.09 0.015 . 1 . . . . 17 THR HG2 . 6760 1 96 . 1 1 17 17 THR HG22 H 1 1.09 0.015 . 1 . . . . 17 THR HG2 . 6760 1 97 . 1 1 17 17 THR HG23 H 1 1.09 0.015 . 1 . . . . 17 THR HG2 . 6760 1 98 . 1 1 17 17 THR CA C 13 62.2 0.15 . 1 . . . . 17 THR CA . 6760 1 99 . 1 1 17 17 THR CB C 13 69.7 0.15 . 1 . . . . 17 THR CB . 6760 1 100 . 1 1 17 17 THR CG2 C 13 21.6 0.15 . 1 . . . . 17 THR CG2 . 6760 1 101 . 1 1 17 17 THR N N 15 115.1 0.15 . 1 . . . . 17 THR N . 6760 1 102 . 1 1 18 18 GLU H H 1 8.29 0.015 . 1 . . . . 18 GLU HN . 6760 1 103 . 1 1 18 18 GLU HA H 1 4.13 0.015 . 1 . . . . 18 GLU HA . 6760 1 104 . 1 1 18 18 GLU HB2 H 1 1.91 0.015 . 2 . . . . 18 GLU HB2 . 6760 1 105 . 1 1 18 18 GLU HB3 H 1 1.81 0.015 . 2 . . . . 18 GLU HB3 . 6760 1 106 . 1 1 18 18 GLU HG2 H 1 2.13 0.015 . 1 . . . . 18 GLU HG2 . 6760 1 107 . 1 1 18 18 GLU HG3 H 1 2.13 0.015 . 1 . . . . 18 GLU HG3 . 6760 1 108 . 1 1 18 18 GLU CA C 13 56.9 0.15 . 1 . . . . 18 GLU CA . 6760 1 109 . 1 1 18 18 GLU CB C 13 30.1 0.15 . 1 . . . . 18 GLU CB . 6760 1 110 . 1 1 18 18 GLU CG C 13 36.2 0.15 . 1 . . . . 18 GLU CG . 6760 1 111 . 1 1 18 18 GLU N N 15 122.4 0.15 . 1 . . . . 18 GLU N . 6760 1 112 . 1 1 19 19 ASN H H 1 8.24 0.015 . 1 . . . . 19 ASN HN . 6760 1 113 . 1 1 19 19 ASN HA H 1 4.53 0.015 . 1 . . . . 19 ASN HA . 6760 1 114 . 1 1 19 19 ASN HB2 H 1 2.61 0.015 . 2 . . . . 19 ASN HB2 . 6760 1 115 . 1 1 19 19 ASN HB3 H 1 2.65 0.015 . 2 . . . . 19 ASN HB3 . 6760 1 116 . 1 1 19 19 ASN CA C 13 53.3 0.15 . 1 . . . . 19 ASN CA . 6760 1 117 . 1 1 19 19 ASN CB C 13 38.6 0.15 . 1 . . . . 19 ASN CB . 6760 1 118 . 1 1 19 19 ASN N N 15 119.2 0.15 . 1 . . . . 19 ASN N . 6760 1 119 . 1 1 20 20 LEU H H 1 8.00 0.015 . 1 . . . . 20 LEU HN . 6760 1 120 . 1 1 20 20 LEU HA H 1 4.09 0.015 . 1 . . . . 20 LEU HA . 6760 1 121 . 1 1 20 20 LEU HB2 H 1 1.21 0.015 . 2 . . . . 20 LEU HB2 . 6760 1 122 . 1 1 20 20 LEU HB3 H 1 1.35 0.015 . 2 . . . . 20 LEU HB3 . 6760 1 123 . 1 1 20 20 LEU HG H 1 1.35 0.015 . 1 . . . . 20 LEU HG . 6760 1 124 . 1 1 20 20 LEU HD11 H 1 0.66 0.015 . 2 . . . . 20 LEU HD1 . 6760 1 125 . 1 1 20 20 LEU HD12 H 1 0.66 0.015 . 2 . . . . 20 LEU HD1 . 6760 1 126 . 1 1 20 20 LEU HD13 H 1 0.66 0.015 . 2 . . . . 20 LEU HD1 . 6760 1 127 . 1 1 20 20 LEU HD21 H 1 0.73 0.015 . 2 . . . . 20 LEU HD2 . 6760 1 128 . 1 1 20 20 LEU HD22 H 1 0.73 0.015 . 2 . . . . 20 LEU HD2 . 6760 1 129 . 1 1 20 20 LEU HD23 H 1 0.73 0.015 . 2 . . . . 20 LEU HD2 . 6760 1 130 . 1 1 20 20 LEU CA C 13 55.5 0.15 . 1 . . . . 20 LEU CA . 6760 1 131 . 1 1 20 20 LEU CB C 13 42.2 0.15 . 1 . . . . 20 LEU CB . 6760 1 132 . 1 1 20 20 LEU CG C 13 26.7 0.15 . 1 . . . . 20 LEU CG . 6760 1 133 . 1 1 20 20 LEU CD1 C 13 23.2 0.15 . 1 . . . . 20 LEU CD1 . 6760 1 134 . 1 1 20 20 LEU CD2 C 13 24.8 0.15 . 1 . . . . 20 LEU CD2 . 6760 1 135 . 1 1 20 20 LEU N N 15 122.2 0.15 . 1 . . . . 20 LEU N . 6760 1 136 . 1 1 21 21 TYR H H 1 7.94 0.015 . 1 . . . . 21 TYR HN . 6760 1 137 . 1 1 21 21 TYR HA H 1 4.39 0.015 . 1 . . . . 21 TYR HA . 6760 1 138 . 1 1 21 21 TYR HB2 H 1 2.72 0.015 . 2 . . . . 21 TYR HB2 . 6760 1 139 . 1 1 21 21 TYR HB3 H 1 2.80 0.015 . 2 . . . . 21 TYR HB3 . 6760 1 140 . 1 1 21 21 TYR HD1 H 1 6.88 0.015 . 1 . . . . 21 TYR HD1 . 6760 1 141 . 1 1 21 21 TYR HD2 H 1 6.88 0.015 . 1 . . . . 21 TYR HD2 . 6760 1 142 . 1 1 21 21 TYR HE1 H 1 6.64 0.015 . 1 . . . . 21 TYR HE1 . 6760 1 143 . 1 1 21 21 TYR HE2 H 1 6.64 0.015 . 1 . . . . 21 TYR HE2 . 6760 1 144 . 1 1 21 21 TYR CA C 13 58.0 0.15 . 1 . . . . 21 TYR CA . 6760 1 145 . 1 1 21 21 TYR CB C 13 38.6 0.15 . 1 . . . . 21 TYR CB . 6760 1 146 . 1 1 21 21 TYR N N 15 119.5 0.15 . 1 . . . . 21 TYR N . 6760 1 147 . 1 1 22 22 PHE H H 1 7.94 0.015 . 1 . . . . 22 PHE HN . 6760 1 148 . 1 1 22 22 PHE HA H 1 4.44 0.015 . 1 . . . . 22 PHE HA . 6760 1 149 . 1 1 22 22 PHE HB2 H 1 2.90 0.015 . 1 . . . . 22 PHE HB2 . 6760 1 150 . 1 1 22 22 PHE HB3 H 1 2.90 0.015 . 1 . . . . 22 PHE HB3 . 6760 1 151 . 1 1 22 22 PHE CA C 13 57.8 0.15 . 1 . . . . 22 PHE CA . 6760 1 152 . 1 1 22 22 PHE CB C 13 39.5 0.15 . 1 . . . . 22 PHE CB . 6760 1 153 . 1 1 22 22 PHE N N 15 121.2 0.15 . 1 . . . . 22 PHE N . 6760 1 154 . 1 1 23 23 GLN H H 1 8.16 0.015 . 1 . . . . 23 GLN HN . 6760 1 155 . 1 1 23 23 GLN HA H 1 4.12 0.015 . 1 . . . . 23 GLN HA . 6760 1 156 . 1 1 23 23 GLN HB2 H 1 1.96 0.015 . 2 . . . . 23 GLN HB2 . 6760 1 157 . 1 1 23 23 GLN HB3 H 1 1.80 0.015 . 2 . . . . 23 GLN HB3 . 6760 1 158 . 1 1 23 23 GLN HG2 H 1 2.17 0.015 . 1 . . . . 23 GLN HG2 . 6760 1 159 . 1 1 23 23 GLN HG3 H 1 2.17 0.015 . 1 . . . . 23 GLN HG3 . 6760 1 160 . 1 1 23 23 GLN CA C 13 56.1 0.15 . 1 . . . . 23 GLN CA . 6760 1 161 . 1 1 23 23 GLN CB C 13 29.2 0.15 . 1 . . . . 23 GLN CB . 6760 1 162 . 1 1 23 23 GLN CG C 13 33.7 0.15 . 1 . . . . 23 GLN CG . 6760 1 163 . 1 1 23 23 GLN N N 15 121.8 0.15 . 1 . . . . 23 GLN N . 6760 1 164 . 1 1 24 24 GLY H H 1 7.81 0.015 . 1 . . . . 24 GLY HN . 6760 1 165 . 1 1 24 24 GLY HA2 H 1 3.78 0.015 . 1 . . . . 24 GLY HA1 . 6760 1 166 . 1 1 24 24 GLY HA3 H 1 3.78 0.015 . 1 . . . . 24 GLY HA2 . 6760 1 167 . 1 1 24 24 GLY CA C 13 45.2 0.15 . 1 . . . . 24 GLY CA . 6760 1 168 . 1 1 24 24 GLY N N 15 109.4 0.15 . 1 . . . . 24 GLY N . 6760 1 169 . 1 1 25 25 ALA H H 1 8.08 0.015 . 1 . . . . 25 ALA HN . 6760 1 170 . 1 1 25 25 ALA HA H 1 4.21 0.015 . 1 . . . . 25 ALA HA . 6760 1 171 . 1 1 25 25 ALA HB1 H 1 1.25 0.015 . 1 . . . . 25 ALA HB . 6760 1 172 . 1 1 25 25 ALA HB2 H 1 1.25 0.015 . 1 . . . . 25 ALA HB . 6760 1 173 . 1 1 25 25 ALA HB3 H 1 1.25 0.015 . 1 . . . . 25 ALA HB . 6760 1 174 . 1 1 25 25 ALA CA C 13 52.6 0.15 . 1 . . . . 25 ALA CA . 6760 1 175 . 1 1 25 25 ALA CB C 13 19.2 0.15 . 1 . . . . 25 ALA CB . 6760 1 176 . 1 1 25 25 ALA N N 15 123.5 0.15 . 1 . . . . 25 ALA N . 6760 1 177 . 1 1 26 26 MET H H 1 8.33 0.015 . 1 . . . . 26 MET HN . 6760 1 178 . 1 1 26 26 MET HA H 1 4.34 0.015 . 1 . . . . 26 MET HA . 6760 1 179 . 1 1 26 26 MET HB2 H 1 1.89 0.015 . 2 . . . . 26 MET HB2 . 6760 1 180 . 1 1 26 26 MET HB3 H 1 1.99 0.015 . 2 . . . . 26 MET HB3 . 6760 1 181 . 1 1 26 26 MET HG2 H 1 2.39 0.015 . 2 . . . . 26 MET HG2 . 6760 1 182 . 1 1 26 26 MET HG3 H 1 2.47 0.015 . 2 . . . . 26 MET HG3 . 6760 1 183 . 1 1 26 26 MET HE1 H 1 1.94 0.015 . 1 . . . . 26 MET HE . 6760 1 184 . 1 1 26 26 MET HE2 H 1 1.94 0.015 . 1 . . . . 26 MET HE . 6760 1 185 . 1 1 26 26 MET HE3 H 1 1.94 0.015 . 1 . . . . 26 MET HE . 6760 1 186 . 1 1 26 26 MET CA C 13 55.7 0.15 . 1 . . . . 26 MET CA . 6760 1 187 . 1 1 26 26 MET CB C 13 32.6 0.15 . 1 . . . . 26 MET CB . 6760 1 188 . 1 1 26 26 MET CG C 13 31.9 0.15 . 1 . . . . 26 MET CG . 6760 1 189 . 1 1 26 26 MET CE C 13 16.7 0.15 . 1 . . . . 26 MET CE . 6760 1 190 . 1 1 26 26 MET N N 15 119.2 0.15 . 1 . . . . 26 MET N . 6760 1 191 . 1 1 27 27 GLU HA H 1 4.16 0.015 . 1 . . . . 27 GLU HA . 6760 1 192 . 1 1 27 27 GLU HB2 H 1 1.92 0.015 . 2 . . . . 27 GLU HB2 . 6760 1 193 . 1 1 27 27 GLU HB3 H 1 1.84 0.015 . 2 . . . . 27 GLU HB3 . 6760 1 194 . 1 1 27 27 GLU HG2 H 1 2.16 0.015 . 1 . . . . 27 GLU HG2 . 6760 1 195 . 1 1 27 27 GLU HG3 H 1 2.16 0.015 . 1 . . . . 27 GLU HG3 . 6760 1 196 . 1 1 27 27 GLU CA C 13 56.8 0.15 . 1 . . . . 27 GLU CA . 6760 1 197 . 1 1 27 27 GLU CB C 13 29.9 0.15 . 1 . . . . 27 GLU CB . 6760 1 198 . 1 1 28 28 LEU H H 1 8.03 0.015 . 1 . . . . 28 LEU HN . 6760 1 199 . 1 1 28 28 LEU HA H 1 4.21 0.015 . 1 . . . . 28 LEU HA . 6760 1 200 . 1 1 28 28 LEU HB2 H 1 1.46 0.015 . 1 . . . . 28 LEU HB2 . 6760 1 201 . 1 1 28 28 LEU HB3 H 1 1.46 0.015 . 1 . . . . 28 LEU HB3 . 6760 1 202 . 1 1 28 28 LEU HG H 1 1.44 0.015 . 1 . . . . 28 LEU HG . 6760 1 203 . 1 1 28 28 LEU HD11 H 1 0.72 0.015 . 2 . . . . 28 LEU HD1 . 6760 1 204 . 1 1 28 28 LEU HD12 H 1 0.72 0.015 . 2 . . . . 28 LEU HD1 . 6760 1 205 . 1 1 28 28 LEU HD13 H 1 0.72 0.015 . 2 . . . . 28 LEU HD1 . 6760 1 206 . 1 1 28 28 LEU HD21 H 1 0.77 0.015 . 2 . . . . 28 LEU HD2 . 6760 1 207 . 1 1 28 28 LEU HD22 H 1 0.77 0.015 . 2 . . . . 28 LEU HD2 . 6760 1 208 . 1 1 28 28 LEU HD23 H 1 0.77 0.015 . 2 . . . . 28 LEU HD2 . 6760 1 209 . 1 1 28 28 LEU CA C 13 55.2 0.15 . 1 . . . . 28 LEU CA . 6760 1 210 . 1 1 28 28 LEU CB C 13 42.2 0.15 . 1 . . . . 28 LEU CB . 6760 1 211 . 1 1 28 28 LEU CG C 13 27.0 0.15 . 1 . . . . 28 LEU CG . 6760 1 212 . 1 1 28 28 LEU CD1 C 13 23.5 0.15 . 1 . . . . 28 LEU CD1 . 6760 1 213 . 1 1 28 28 LEU CD2 C 13 24.7 0.15 . 1 . . . . 28 LEU CD2 . 6760 1 214 . 1 1 28 28 LEU N N 15 122.4 0.15 . 1 . . . . 28 LEU N . 6760 1 215 . 1 1 29 29 ILE H H 1 7.93 0.015 . 1 . . . . 29 ILE HN . 6760 1 216 . 1 1 29 29 ILE HA H 1 4.03 0.015 . 1 . . . . 29 ILE HA . 6760 1 217 . 1 1 29 29 ILE HB H 1 1.72 0.015 . 1 . . . . 29 ILE HB . 6760 1 218 . 1 1 29 29 ILE HG12 H 1 1.34 0.015 . 2 . . . . 29 ILE HG12 . 6760 1 219 . 1 1 29 29 ILE HG13 H 1 1.04 0.015 . 2 . . . . 29 ILE HG13 . 6760 1 220 . 1 1 29 29 ILE HG21 H 1 0.75 0.015 . 1 . . . . 29 ILE HG2 . 6760 1 221 . 1 1 29 29 ILE HG22 H 1 0.75 0.015 . 1 . . . . 29 ILE HG2 . 6760 1 222 . 1 1 29 29 ILE HG23 H 1 0.75 0.015 . 1 . . . . 29 ILE HG2 . 6760 1 223 . 1 1 29 29 ILE HD11 H 1 0.71 0.015 . 1 . . . . 29 ILE HD1 . 6760 1 224 . 1 1 29 29 ILE HD12 H 1 0.71 0.015 . 1 . . . . 29 ILE HD1 . 6760 1 225 . 1 1 29 29 ILE HD13 H 1 0.71 0.015 . 1 . . . . 29 ILE HD1 . 6760 1 226 . 1 1 29 29 ILE CA C 13 60.8 0.15 . 1 . . . . 29 ILE CA . 6760 1 227 . 1 1 29 29 ILE CB C 13 38.4 0.15 . 1 . . . . 29 ILE CB . 6760 1 228 . 1 1 29 29 ILE CG1 C 13 27.2 0.15 . 1 . . . . 29 ILE CG1 . 6760 1 229 . 1 1 29 29 ILE CG2 C 13 17.4 0.15 . 1 . . . . 29 ILE CG2 . 6760 1 230 . 1 1 29 29 ILE CD1 C 13 12.6 0.15 . 1 . . . . 29 ILE CD1 . 6760 1 231 . 1 1 29 29 ILE N N 15 121.9 0.15 . 1 . . . . 29 ILE N . 6760 1 232 . 1 1 30 30 ARG H H 1 8.26 0.015 . 1 . . . . 30 ARG HN . 6760 1 233 . 1 1 30 30 ARG HA H 1 4.29 0.015 . 1 . . . . 30 ARG HA . 6760 1 234 . 1 1 30 30 ARG HB2 H 1 1.68 0.015 . 2 . . . . 30 ARG HB2 . 6760 1 235 . 1 1 30 30 ARG HB3 H 1 1.60 0.015 . 2 . . . . 30 ARG HB3 . 6760 1 236 . 1 1 30 30 ARG HG2 H 1 1.40 0.015 . 2 . . . . 30 ARG HG2 . 6760 1 237 . 1 1 30 30 ARG HG3 H 1 1.47 0.015 . 2 . . . . 30 ARG HG3 . 6760 1 238 . 1 1 30 30 ARG HD2 H 1 3.02 0.015 . 1 . . . . 30 ARG HD2 . 6760 1 239 . 1 1 30 30 ARG HD3 H 1 3.02 0.015 . 1 . . . . 30 ARG HD3 . 6760 1 240 . 1 1 30 30 ARG CA C 13 55.7 0.15 . 1 . . . . 30 ARG CA . 6760 1 241 . 1 1 30 30 ARG CB C 13 30.8 0.15 . 1 . . . . 30 ARG CB . 6760 1 242 . 1 1 30 30 ARG CD C 13 43.2 0.15 . 1 . . . . 30 ARG CD . 6760 1 243 . 1 1 30 30 ARG N N 15 125.8 0.15 . 1 . . . . 30 ARG N . 6760 1 244 . 1 1 31 31 VAL H H 1 8.08 0.015 . 1 . . . . 31 VAL HN . 6760 1 245 . 1 1 31 31 VAL HA H 1 4.28 0.015 . 1 . . . . 31 VAL HA . 6760 1 246 . 1 1 31 31 VAL HB H 1 1.95 0.015 . 1 . . . . 31 VAL HB . 6760 1 247 . 1 1 31 31 VAL HG11 H 1 0.79 0.015 . 2 . . . . 31 VAL HG1 . 6760 1 248 . 1 1 31 31 VAL HG12 H 1 0.79 0.015 . 2 . . . . 31 VAL HG1 . 6760 1 249 . 1 1 31 31 VAL HG13 H 1 0.79 0.015 . 2 . . . . 31 VAL HG1 . 6760 1 250 . 1 1 31 31 VAL HG21 H 1 0.82 0.015 . 2 . . . . 31 VAL HG2 . 6760 1 251 . 1 1 31 31 VAL HG22 H 1 0.82 0.015 . 2 . . . . 31 VAL HG2 . 6760 1 252 . 1 1 31 31 VAL HG23 H 1 0.82 0.015 . 2 . . . . 31 VAL HG2 . 6760 1 253 . 1 1 31 31 VAL CA C 13 59.7 0.15 . 1 . . . . 31 VAL CA . 6760 1 254 . 1 1 31 31 VAL CB C 13 32.5 0.15 . 1 . . . . 31 VAL CB . 6760 1 255 . 1 1 31 31 VAL CG1 C 13 20.2 0.15 . 1 . . . . 31 VAL CG1 . 6760 1 256 . 1 1 31 31 VAL CG2 C 13 20.9 0.15 . 1 . . . . 31 VAL CG2 . 6760 1 257 . 1 1 31 31 VAL N N 15 123.4 0.15 . 1 . . . . 31 VAL N . 6760 1 258 . 1 1 32 32 PRO HA H 1 4.27 0.015 . 1 . . . . 32 PRO HA . 6760 1 259 . 1 1 32 32 PRO HB2 H 1 1.67 0.015 . 2 . . . . 32 PRO HB2 . 6760 1 260 . 1 1 32 32 PRO HB3 H 1 2.07 0.015 . 2 . . . . 32 PRO HB3 . 6760 1 261 . 1 1 32 32 PRO HG2 H 1 1.90 0.015 . 2 . . . . 32 PRO HG2 . 6760 1 262 . 1 1 32 32 PRO HG3 H 1 1.81 0.015 . 2 . . . . 32 PRO HG3 . 6760 1 263 . 1 1 32 32 PRO HD2 H 1 3.56 0.015 . 2 . . . . 32 PRO HD2 . 6760 1 264 . 1 1 32 32 PRO HD3 H 1 3.74 0.015 . 2 . . . . 32 PRO HD3 . 6760 1 265 . 1 1 32 32 PRO CA C 13 63.1 0.15 . 1 . . . . 32 PRO CA . 6760 1 266 . 1 1 32 32 PRO CB C 13 32.1 0.15 . 1 . . . . 32 PRO CB . 6760 1 267 . 1 1 32 32 PRO CG C 13 27.3 0.15 . 1 . . . . 32 PRO CG . 6760 1 268 . 1 1 32 32 PRO CD C 13 50.9 0.15 . 1 . . . . 32 PRO CD . 6760 1 269 . 1 1 33 33 ILE H H 1 8.18 0.015 . 1 . . . . 33 ILE HN . 6760 1 270 . 1 1 33 33 ILE HA H 1 4.22 0.015 . 1 . . . . 33 ILE HA . 6760 1 271 . 1 1 33 33 ILE HB H 1 1.77 0.015 . 1 . . . . 33 ILE HB . 6760 1 272 . 1 1 33 33 ILE HG12 H 1 1.38 0.015 . 2 . . . . 33 ILE HG12 . 6760 1 273 . 1 1 33 33 ILE HG13 H 1 1.08 0.015 . 2 . . . . 33 ILE HG13 . 6760 1 274 . 1 1 33 33 ILE HG21 H 1 0.81 0.015 . 1 . . . . 33 ILE HG2 . 6760 1 275 . 1 1 33 33 ILE HG22 H 1 0.81 0.015 . 1 . . . . 33 ILE HG2 . 6760 1 276 . 1 1 33 33 ILE HG23 H 1 0.81 0.015 . 1 . . . . 33 ILE HG2 . 6760 1 277 . 1 1 33 33 ILE HD11 H 1 0.74 0.015 . 1 . . . . 33 ILE HD1 . 6760 1 278 . 1 1 33 33 ILE HD12 H 1 0.74 0.015 . 1 . . . . 33 ILE HD1 . 6760 1 279 . 1 1 33 33 ILE HD13 H 1 0.74 0.015 . 1 . . . . 33 ILE HD1 . 6760 1 280 . 1 1 33 33 ILE CA C 13 60.9 0.15 . 1 . . . . 33 ILE CA . 6760 1 281 . 1 1 33 33 ILE CB C 13 39.4 0.15 . 1 . . . . 33 ILE CB . 6760 1 282 . 1 1 33 33 ILE CG1 C 13 26.9 0.15 . 1 . . . . 33 ILE CG1 . 6760 1 283 . 1 1 33 33 ILE CG2 C 13 17.9 0.15 . 1 . . . . 33 ILE CG2 . 6760 1 284 . 1 1 33 33 ILE CD1 C 13 13.0 0.15 . 1 . . . . 33 ILE CD1 . 6760 1 285 . 1 1 33 33 ILE N N 15 119.6 0.15 . 1 . . . . 33 ILE N . 6760 1 286 . 1 1 34 34 LEU H H 1 8.34 0.015 . 1 . . . . 34 LEU HN . 6760 1 287 . 1 1 34 34 LEU HA H 1 4.51 0.015 . 1 . . . . 34 LEU HA . 6760 1 288 . 1 1 34 34 LEU HB2 H 1 1.59 0.015 . 2 . . . . 34 LEU HB2 . 6760 1 289 . 1 1 34 34 LEU HB3 H 1 1.55 0.015 . 2 . . . . 34 LEU HB3 . 6760 1 290 . 1 1 34 34 LEU HG H 1 1.65 0.015 . 1 . . . . 34 LEU HG . 6760 1 291 . 1 1 34 34 LEU HD11 H 1 0.84 0.015 . 2 . . . . 34 LEU HD1 . 6760 1 292 . 1 1 34 34 LEU HD12 H 1 0.84 0.015 . 2 . . . . 34 LEU HD1 . 6760 1 293 . 1 1 34 34 LEU HD13 H 1 0.84 0.015 . 2 . . . . 34 LEU HD1 . 6760 1 294 . 1 1 34 34 LEU HD21 H 1 0.92 0.015 . 2 . . . . 34 LEU HD2 . 6760 1 295 . 1 1 34 34 LEU HD22 H 1 0.92 0.015 . 2 . . . . 34 LEU HD2 . 6760 1 296 . 1 1 34 34 LEU HD23 H 1 0.92 0.015 . 2 . . . . 34 LEU HD2 . 6760 1 297 . 1 1 34 34 LEU CA C 13 54.1 0.15 . 1 . . . . 34 LEU CA . 6760 1 298 . 1 1 34 34 LEU CB C 13 42.1 0.15 . 1 . . . . 34 LEU CB . 6760 1 299 . 1 1 34 34 LEU CG C 13 27.1 0.15 . 1 . . . . 34 LEU CG . 6760 1 300 . 1 1 34 34 LEU CD1 C 13 23.2 0.15 . 1 . . . . 34 LEU CD1 . 6760 1 301 . 1 1 34 34 LEU CD2 C 13 25.8 0.15 . 1 . . . . 34 LEU CD2 . 6760 1 302 . 1 1 34 34 LEU N N 15 125.9 0.15 . 1 . . . . 34 LEU N . 6760 1 303 . 1 1 35 35 TRP H H 1 9.37 0.015 . 1 . . . . 35 TRP HN . 6760 1 304 . 1 1 35 35 TRP HA H 1 4.26 0.015 . 1 . . . . 35 TRP HA . 6760 1 305 . 1 1 35 35 TRP HB2 H 1 2.16 0.015 . 2 . . . . 35 TRP HB2 . 6760 1 306 . 1 1 35 35 TRP HB3 H 1 2.78 0.015 . 2 . . . . 35 TRP HB3 . 6760 1 307 . 1 1 35 35 TRP HD1 H 1 6.96 0.015 . 1 . . . . 35 TRP HD1 . 6760 1 308 . 1 1 35 35 TRP HE1 H 1 9.72 0.015 . 1 . . . . 35 TRP HE1 . 6760 1 309 . 1 1 35 35 TRP HE3 H 1 7.52 0.015 . 1 . . . . 35 TRP HE3 . 6760 1 310 . 1 1 35 35 TRP HZ2 H 1 7.28 0.015 . 1 . . . . 35 TRP HZ2 . 6760 1 311 . 1 1 35 35 TRP HZ3 H 1 7.07 0.015 . 1 . . . . 35 TRP HZ3 . 6760 1 312 . 1 1 35 35 TRP HH2 H 1 6.75 0.015 . 1 . . . . 35 TRP HH2 . 6760 1 313 . 1 1 35 35 TRP CA C 13 60.1 0.15 . 1 . . . . 35 TRP CA . 6760 1 314 . 1 1 35 35 TRP CB C 13 28.3 0.15 . 1 . . . . 35 TRP CB . 6760 1 315 . 1 1 35 35 TRP N N 15 125.0 0.15 . 1 . . . . 35 TRP N . 6760 1 316 . 1 1 35 35 TRP NE1 N 15 129.9 0.15 . 1 . . . . 35 TRP NE1 . 6760 1 317 . 1 1 36 36 HIS H H 1 8.49 0.015 . 1 . . . . 36 HIS HN . 6760 1 318 . 1 1 36 36 HIS HA H 1 4.25 0.015 . 1 . . . . 36 HIS HA . 6760 1 319 . 1 1 36 36 HIS HB2 H 1 3.30 0.015 . 2 . . . . 36 HIS HB2 . 6760 1 320 . 1 1 36 36 HIS HB3 H 1 3.24 0.015 . 2 . . . . 36 HIS HB3 . 6760 1 321 . 1 1 36 36 HIS HD2 H 1 6.85 0.015 . 1 . . . . 36 HIS HD2 . 6760 1 322 . 1 1 36 36 HIS HE1 H 1 6.33 0.015 . 1 . . . . 36 HIS HE1 . 6760 1 323 . 1 1 36 36 HIS CA C 13 60.8 0.15 . 1 . . . . 36 HIS CA . 6760 1 324 . 1 1 36 36 HIS CB C 13 29.9 0.15 . 1 . . . . 36 HIS CB . 6760 1 325 . 1 1 36 36 HIS N N 15 114.7 0.15 . 1 . . . . 36 HIS N . 6760 1 326 . 1 1 37 37 GLU H H 1 6.53 0.015 . 1 . . . . 37 GLU HN . 6760 1 327 . 1 1 37 37 GLU HA H 1 4.01 0.015 . 1 . . . . 37 GLU HA . 6760 1 328 . 1 1 37 37 GLU HB2 H 1 1.92 0.015 . 2 . . . . 37 GLU HB2 . 6760 1 329 . 1 1 37 37 GLU HB3 H 1 1.75 0.015 . 2 . . . . 37 GLU HB3 . 6760 1 330 . 1 1 37 37 GLU HG2 H 1 2.51 0.015 . 2 . . . . 37 GLU HG2 . 6760 1 331 . 1 1 37 37 GLU HG3 H 1 2.19 0.015 . 2 . . . . 37 GLU HG3 . 6760 1 332 . 1 1 37 37 GLU CA C 13 58.9 0.15 . 1 . . . . 37 GLU CA . 6760 1 333 . 1 1 37 37 GLU CB C 13 29.7 0.15 . 1 . . . . 37 GLU CB . 6760 1 334 . 1 1 37 37 GLU CG C 13 36.9 0.15 . 1 . . . . 37 GLU CG . 6760 1 335 . 1 1 37 37 GLU N N 15 119.9 0.15 . 1 . . . . 37 GLU N . 6760 1 336 . 1 1 38 38 MET H H 1 8.20 0.015 . 1 . . . . 38 MET HN . 6760 1 337 . 1 1 38 38 MET HA H 1 3.91 0.015 . 1 . . . . 38 MET HA . 6760 1 338 . 1 1 38 38 MET HE1 H 1 2.14 0.015 . 1 . . . . 38 MET HE . 6760 1 339 . 1 1 38 38 MET HE2 H 1 2.14 0.015 . 1 . . . . 38 MET HE . 6760 1 340 . 1 1 38 38 MET HE3 H 1 2.14 0.015 . 1 . . . . 38 MET HE . 6760 1 341 . 1 1 38 38 MET CA C 13 58.9 0.15 . 1 . . . . 38 MET CA . 6760 1 342 . 1 1 38 38 MET CE C 13 16.9 0.15 . 1 . . . . 38 MET CE . 6760 1 343 . 1 1 38 38 MET N N 15 118.7 0.15 . 1 . . . . 38 MET N . 6760 1 344 . 1 1 39 39 TRP H H 1 8.34 0.015 . 1 . . . . 39 TRP HN . 6760 1 345 . 1 1 39 39 TRP HA H 1 4.12 0.015 . 1 . . . . 39 TRP HA . 6760 1 346 . 1 1 39 39 TRP HB2 H 1 3.07 0.015 . 2 . . . . 39 TRP HB2 . 6760 1 347 . 1 1 39 39 TRP HB3 H 1 2.92 0.015 . 2 . . . . 39 TRP HB3 . 6760 1 348 . 1 1 39 39 TRP HD1 H 1 6.47 0.015 . 1 . . . . 39 TRP HD1 . 6760 1 349 . 1 1 39 39 TRP HE1 H 1 8.70 0.015 . 1 . . . . 39 TRP HE1 . 6760 1 350 . 1 1 39 39 TRP HZ2 H 1 6.84 0.015 . 1 . . . . 39 TRP HZ2 . 6760 1 351 . 1 1 39 39 TRP HH2 H 1 7.34 0.015 . 1 . . . . 39 TRP HH2 . 6760 1 352 . 1 1 39 39 TRP CA C 13 61.4 0.15 . 1 . . . . 39 TRP CA . 6760 1 353 . 1 1 39 39 TRP CB C 13 28.9 0.15 . 1 . . . . 39 TRP CB . 6760 1 354 . 1 1 39 39 TRP N N 15 118.5 0.15 . 1 . . . . 39 TRP N . 6760 1 355 . 1 1 39 39 TRP NE1 N 15 126.2 0.15 . 1 . . . . 39 TRP NE1 . 6760 1 356 . 1 1 40 40 HIS H H 1 8.29 0.015 . 1 . . . . 40 HIS HN . 6760 1 357 . 1 1 40 40 HIS HA H 1 4.11 0.015 . 1 . . . . 40 HIS HA . 6760 1 358 . 1 1 40 40 HIS HB2 H 1 3.32 0.015 . 1 . . . . 40 HIS HB2 . 6760 1 359 . 1 1 40 40 HIS HB3 H 1 3.32 0.015 . 1 . . . . 40 HIS HB3 . 6760 1 360 . 1 1 40 40 HIS HD2 H 1 6.49 0.015 . 1 . . . . 40 HIS HD2 . 6760 1 361 . 1 1 40 40 HIS HE1 H 1 5.32 0.015 . 1 . . . . 40 HIS HE1 . 6760 1 362 . 1 1 40 40 HIS CA C 13 61.9 0.15 . 1 . . . . 40 HIS CA . 6760 1 363 . 1 1 40 40 HIS CB C 13 30.3 0.15 . 1 . . . . 40 HIS CB . 6760 1 364 . 1 1 40 40 HIS N N 15 120.5 0.15 . 1 . . . . 40 HIS N . 6760 1 365 . 1 1 41 41 GLU H H 1 8.03 0.015 . 1 . . . . 41 GLU HN . 6760 1 366 . 1 1 41 41 GLU HA H 1 4.10 0.015 . 1 . . . . 41 GLU HA . 6760 1 367 . 1 1 41 41 GLU HB2 H 1 2.00 0.015 . 1 . . . . 41 GLU HB2 . 6760 1 368 . 1 1 41 41 GLU HB3 H 1 2.00 0.015 . 1 . . . . 41 GLU HB3 . 6760 1 369 . 1 1 41 41 GLU HG2 H 1 2.26 0.015 . 2 . . . . 41 GLU HG2 . 6760 1 370 . 1 1 41 41 GLU HG3 H 1 2.38 0.015 . 2 . . . . 41 GLU HG3 . 6760 1 371 . 1 1 41 41 GLU CA C 13 59.2 0.15 . 1 . . . . 41 GLU CA . 6760 1 372 . 1 1 41 41 GLU CB C 13 29.7 0.15 . 1 . . . . 41 GLU CB . 6760 1 373 . 1 1 41 41 GLU CG C 13 36.3 0.15 . 1 . . . . 41 GLU CG . 6760 1 374 . 1 1 41 41 GLU N N 15 116.4 0.15 . 1 . . . . 41 GLU N . 6760 1 375 . 1 1 42 42 GLY H H 1 8.22 0.015 . 1 . . . . 42 GLY HN . 6760 1 376 . 1 1 42 42 GLY HA2 H 1 3.69 0.015 . 2 . . . . 42 GLY HA1 . 6760 1 377 . 1 1 42 42 GLY HA3 H 1 3.28 0.015 . 2 . . . . 42 GLY HA2 . 6760 1 378 . 1 1 42 42 GLY CA C 13 46.8 0.15 . 1 . . . . 42 GLY CA . 6760 1 379 . 1 1 42 42 GLY N N 15 107.0 0.15 . 1 . . . . 42 GLY N . 6760 1 380 . 1 1 43 43 LEU H H 1 8.74 0.015 . 1 . . . . 43 LEU HN . 6760 1 381 . 1 1 43 43 LEU HA H 1 3.96 0.015 . 1 . . . . 43 LEU HA . 6760 1 382 . 1 1 43 43 LEU HB2 H 1 2.06 0.015 . 2 . . . . 43 LEU HB2 . 6760 1 383 . 1 1 43 43 LEU HB3 H 1 0.87 0.015 . 2 . . . . 43 LEU HB3 . 6760 1 384 . 1 1 43 43 LEU HG H 1 2.10 0.015 . 1 . . . . 43 LEU HG . 6760 1 385 . 1 1 43 43 LEU HD11 H 1 0.49 0.015 . 2 . . . . 43 LEU HD1 . 6760 1 386 . 1 1 43 43 LEU HD12 H 1 0.49 0.015 . 2 . . . . 43 LEU HD1 . 6760 1 387 . 1 1 43 43 LEU HD13 H 1 0.49 0.015 . 2 . . . . 43 LEU HD1 . 6760 1 388 . 1 1 43 43 LEU HD21 H 1 0.98 0.015 . 2 . . . . 43 LEU HD2 . 6760 1 389 . 1 1 43 43 LEU HD22 H 1 0.98 0.015 . 2 . . . . 43 LEU HD2 . 6760 1 390 . 1 1 43 43 LEU HD23 H 1 0.98 0.015 . 2 . . . . 43 LEU HD2 . 6760 1 391 . 1 1 43 43 LEU CA C 13 58.1 0.15 . 1 . . . . 43 LEU CA . 6760 1 392 . 1 1 43 43 LEU CB C 13 41.8 0.15 . 1 . . . . 43 LEU CB . 6760 1 393 . 1 1 43 43 LEU CG C 13 27.8 0.15 . 1 . . . . 43 LEU CG . 6760 1 394 . 1 1 43 43 LEU CD1 C 13 23.0 0.15 . 1 . . . . 43 LEU CD1 . 6760 1 395 . 1 1 43 43 LEU CD2 C 13 25.6 0.15 . 1 . . . . 43 LEU CD2 . 6760 1 396 . 1 1 43 43 LEU N N 15 120.8 0.15 . 1 . . . . 43 LEU N . 6760 1 397 . 1 1 44 44 GLU H H 1 7.83 0.015 . 1 . . . . 44 GLU HN . 6760 1 398 . 1 1 44 44 GLU HA H 1 3.70 0.015 . 1 . . . . 44 GLU HA . 6760 1 399 . 1 1 44 44 GLU HG2 H 1 2.30 0.015 . 2 . . . . 44 GLU HG2 . 6760 1 400 . 1 1 44 44 GLU HG3 H 1 2.16 0.015 . 2 . . . . 44 GLU HG3 . 6760 1 401 . 1 1 44 44 GLU CA C 13 60.5 0.15 . 1 . . . . 44 GLU CA . 6760 1 402 . 1 1 44 44 GLU CB C 13 29.4 0.15 . 1 . . . . 44 GLU CB . 6760 1 403 . 1 1 44 44 GLU CG C 13 36.8 0.15 . 1 . . . . 44 GLU CG . 6760 1 404 . 1 1 44 44 GLU N N 15 121.3 0.15 . 1 . . . . 44 GLU N . 6760 1 405 . 1 1 45 45 GLU H H 1 7.70 0.015 . 1 . . . . 45 GLU HN . 6760 1 406 . 1 1 45 45 GLU HA H 1 4.31 0.015 . 1 . . . . 45 GLU HA . 6760 1 407 . 1 1 45 45 GLU HB2 H 1 2.07 0.015 . 1 . . . . 45 GLU HB2 . 6760 1 408 . 1 1 45 45 GLU HB3 H 1 2.07 0.015 . 1 . . . . 45 GLU HB3 . 6760 1 409 . 1 1 45 45 GLU HG2 H 1 2.21 0.015 . 1 . . . . 45 GLU HG2 . 6760 1 410 . 1 1 45 45 GLU HG3 H 1 2.21 0.015 . 1 . . . . 45 GLU HG3 . 6760 1 411 . 1 1 45 45 GLU CA C 13 58.7 0.15 . 1 . . . . 45 GLU CA . 6760 1 412 . 1 1 45 45 GLU CB C 13 29.1 0.15 . 1 . . . . 45 GLU CB . 6760 1 413 . 1 1 45 45 GLU N N 15 120.8 0.15 . 1 . . . . 45 GLU N . 6760 1 414 . 1 1 46 46 ALA H H 1 9.21 0.015 . 1 . . . . 46 ALA HN . 6760 1 415 . 1 1 46 46 ALA HA H 1 3.88 0.015 . 1 . . . . 46 ALA HA . 6760 1 416 . 1 1 46 46 ALA HB1 H 1 1.47 0.015 . 1 . . . . 46 ALA HB . 6760 1 417 . 1 1 46 46 ALA HB2 H 1 1.47 0.015 . 1 . . . . 46 ALA HB . 6760 1 418 . 1 1 46 46 ALA HB3 H 1 1.47 0.015 . 1 . . . . 46 ALA HB . 6760 1 419 . 1 1 46 46 ALA CA C 13 55.6 0.15 . 1 . . . . 46 ALA CA . 6760 1 420 . 1 1 46 46 ALA CB C 13 18.2 0.15 . 1 . . . . 46 ALA CB . 6760 1 421 . 1 1 46 46 ALA N N 15 120.9 0.15 . 1 . . . . 46 ALA N . 6760 1 422 . 1 1 47 47 SER H H 1 8.26 0.015 . 1 . . . . 47 SER HN . 6760 1 423 . 1 1 47 47 SER HA H 1 3.78 0.015 . 1 . . . . 47 SER HA . 6760 1 424 . 1 1 47 47 SER HB2 H 1 3.82 0.015 . 2 . . . . 47 SER HB2 . 6760 1 425 . 1 1 47 47 SER HB3 H 1 3.90 0.015 . 2 . . . . 47 SER HB3 . 6760 1 426 . 1 1 47 47 SER CA C 13 61.3 0.15 . 1 . . . . 47 SER CA . 6760 1 427 . 1 1 47 47 SER CB C 13 62.4 0.15 . 1 . . . . 47 SER CB . 6760 1 428 . 1 1 47 47 SER N N 15 112.8 0.15 . 1 . . . . 47 SER N . 6760 1 429 . 1 1 48 48 ARG H H 1 7.51 0.015 . 1 . . . . 48 ARG HN . 6760 1 430 . 1 1 48 48 ARG HA H 1 3.93 0.015 . 1 . . . . 48 ARG HA . 6760 1 431 . 1 1 48 48 ARG HB2 H 1 1.96 0.015 . 2 . . . . 48 ARG HB2 . 6760 1 432 . 1 1 48 48 ARG HB3 H 1 1.89 0.015 . 2 . . . . 48 ARG HB3 . 6760 1 433 . 1 1 48 48 ARG CA C 13 59.9 0.15 . 1 . . . . 48 ARG CA . 6760 1 434 . 1 1 48 48 ARG CB C 13 30.0 0.15 . 1 . . . . 48 ARG CB . 6760 1 435 . 1 1 48 48 ARG N N 15 124.0 0.15 . 1 . . . . 48 ARG N . 6760 1 436 . 1 1 49 49 LEU H H 1 8.25 0.015 . 1 . . . . 49 LEU HN . 6760 1 437 . 1 1 49 49 LEU HA H 1 3.82 0.015 . 1 . . . . 49 LEU HA . 6760 1 438 . 1 1 49 49 LEU HG H 1 1.65 0.015 . 1 . . . . 49 LEU HG . 6760 1 439 . 1 1 49 49 LEU HD11 H 1 0.59 0.015 . 2 . . . . 49 LEU HD1 . 6760 1 440 . 1 1 49 49 LEU HD12 H 1 0.59 0.015 . 2 . . . . 49 LEU HD1 . 6760 1 441 . 1 1 49 49 LEU HD13 H 1 0.59 0.015 . 2 . . . . 49 LEU HD1 . 6760 1 442 . 1 1 49 49 LEU HD21 H 1 0.74 0.015 . 2 . . . . 49 LEU HD2 . 6760 1 443 . 1 1 49 49 LEU HD22 H 1 0.74 0.015 . 2 . . . . 49 LEU HD2 . 6760 1 444 . 1 1 49 49 LEU HD23 H 1 0.74 0.015 . 2 . . . . 49 LEU HD2 . 6760 1 445 . 1 1 49 49 LEU CA C 13 58.0 0.15 . 1 . . . . 49 LEU CA . 6760 1 446 . 1 1 49 49 LEU CB C 13 42.1 0.15 . 1 . . . . 49 LEU CB . 6760 1 447 . 1 1 49 49 LEU CG C 13 26.7 0.15 . 1 . . . . 49 LEU CG . 6760 1 448 . 1 1 49 49 LEU CD1 C 13 26.7 0.15 . 1 . . . . 49 LEU CD1 . 6760 1 449 . 1 1 49 49 LEU CD2 C 13 23.3 0.15 . 1 . . . . 49 LEU CD2 . 6760 1 450 . 1 1 49 49 LEU N N 15 118.7 0.15 . 1 . . . . 49 LEU N . 6760 1 451 . 1 1 50 50 TYR H H 1 8.28 0.015 . 1 . . . . 50 TYR HN . 6760 1 452 . 1 1 50 50 TYR HA H 1 3.79 0.015 . 1 . . . . 50 TYR HA . 6760 1 453 . 1 1 50 50 TYR HB2 H 1 2.00 0.015 . 2 . . . . 50 TYR HB2 . 6760 1 454 . 1 1 50 50 TYR HB3 H 1 2.81 0.015 . 2 . . . . 50 TYR HB3 . 6760 1 455 . 1 1 50 50 TYR HD1 H 1 5.34 0.015 . 1 . . . . 50 TYR HD1 . 6760 1 456 . 1 1 50 50 TYR HD2 H 1 5.34 0.015 . 1 . . . . 50 TYR HD2 . 6760 1 457 . 1 1 50 50 TYR HE1 H 1 6.05 0.015 . 1 . . . . 50 TYR HE1 . 6760 1 458 . 1 1 50 50 TYR HE2 H 1 6.05 0.015 . 1 . . . . 50 TYR HE2 . 6760 1 459 . 1 1 50 50 TYR CA C 13 61.5 0.15 . 1 . . . . 50 TYR CA . 6760 1 460 . 1 1 50 50 TYR CB C 13 39.4 0.15 . 1 . . . . 50 TYR CB . 6760 1 461 . 1 1 50 50 TYR N N 15 117.5 0.15 . 1 . . . . 50 TYR N . 6760 1 462 . 1 1 51 51 PHE H H 1 8.45 0.015 . 1 . . . . 51 PHE HN . 6760 1 463 . 1 1 51 51 PHE HA H 1 3.68 0.015 . 1 . . . . 51 PHE HA . 6760 1 464 . 1 1 51 51 PHE HB2 H 1 2.67 0.015 . 2 . . . . 51 PHE HB2 . 6760 1 465 . 1 1 51 51 PHE HB3 H 1 2.83 0.015 . 2 . . . . 51 PHE HB3 . 6760 1 466 . 1 1 51 51 PHE HD1 H 1 7.03 0.015 . 1 . . . . 51 PHE HD1 . 6760 1 467 . 1 1 51 51 PHE HD2 H 1 7.03 0.015 . 1 . . . . 51 PHE HD2 . 6760 1 468 . 1 1 51 51 PHE HE1 H 1 6.47 0.015 . 1 . . . . 51 PHE HE1 . 6760 1 469 . 1 1 51 51 PHE HE2 H 1 6.47 0.015 . 1 . . . . 51 PHE HE2 . 6760 1 470 . 1 1 51 51 PHE HZ H 1 6.71 0.015 . 1 . . . . 51 PHE HZ . 6760 1 471 . 1 1 51 51 PHE CA C 13 60.9 0.15 . 1 . . . . 51 PHE CA . 6760 1 472 . 1 1 51 51 PHE CB C 13 37.8 0.15 . 1 . . . . 51 PHE CB . 6760 1 473 . 1 1 51 51 PHE N N 15 116.8 0.15 . 1 . . . . 51 PHE N . 6760 1 474 . 1 1 52 52 GLY H H 1 7.59 0.015 . 1 . . . . 52 GLY HN . 6760 1 475 . 1 1 52 52 GLY HA2 H 1 3.96 0.015 . 1 . . . . 52 GLY HA1 . 6760 1 476 . 1 1 52 52 GLY HA3 H 1 3.96 0.015 . 1 . . . . 52 GLY HA2 . 6760 1 477 . 1 1 52 52 GLY CA C 13 46.7 0.15 . 1 . . . . 52 GLY CA . 6760 1 478 . 1 1 52 52 GLY N N 15 107.5 0.15 . 1 . . . . 52 GLY N . 6760 1 479 . 1 1 53 53 GLU H H 1 7.16 0.015 . 1 . . . . 53 GLU HN . 6760 1 480 . 1 1 53 53 GLU HA H 1 4.29 0.015 . 1 . . . . 53 GLU HA . 6760 1 481 . 1 1 53 53 GLU HB2 H 1 1.59 0.015 . 2 . . . . 53 GLU HB2 . 6760 1 482 . 1 1 53 53 GLU HB3 H 1 1.67 0.015 . 2 . . . . 53 GLU HB3 . 6760 1 483 . 1 1 53 53 GLU HG2 H 1 2.11 0.015 . 2 . . . . 53 GLU HG2 . 6760 1 484 . 1 1 53 53 GLU HG3 H 1 2.13 0.015 . 2 . . . . 53 GLU HG3 . 6760 1 485 . 1 1 53 53 GLU CA C 13 55.8 0.15 . 1 . . . . 53 GLU CA . 6760 1 486 . 1 1 53 53 GLU CB C 13 30.2 0.15 . 1 . . . . 53 GLU CB . 6760 1 487 . 1 1 53 53 GLU CG C 13 36.2 0.15 . 1 . . . . 53 GLU CG . 6760 1 488 . 1 1 53 53 GLU N N 15 117.0 0.15 . 1 . . . . 53 GLU N . 6760 1 489 . 1 1 54 54 ARG H H 1 7.12 0.015 . 1 . . . . 54 ARG HN . 6760 1 490 . 1 1 54 54 ARG HA H 1 3.80 0.015 . 1 . . . . 54 ARG HA . 6760 1 491 . 1 1 54 54 ARG HB2 H 1 1.29 0.015 . 2 . . . . 54 ARG HB2 . 6760 1 492 . 1 1 54 54 ARG HB3 H 1 1.79 0.015 . 2 . . . . 54 ARG HB3 . 6760 1 493 . 1 1 54 54 ARG HD2 H 1 2.89 0.015 . 1 . . . . 54 ARG HD2 . 6760 1 494 . 1 1 54 54 ARG HD3 H 1 2.89 0.015 . 1 . . . . 54 ARG HD3 . 6760 1 495 . 1 1 54 54 ARG CA C 13 56.4 0.15 . 1 . . . . 54 ARG CA . 6760 1 496 . 1 1 54 54 ARG CB C 13 26.6 0.15 . 1 . . . . 54 ARG CB . 6760 1 497 . 1 1 54 54 ARG CD C 13 42.8 0.15 . 1 . . . . 54 ARG CD . 6760 1 498 . 1 1 54 54 ARG N N 15 117.3 0.15 . 1 . . . . 54 ARG N . 6760 1 499 . 1 1 55 55 ASN H H 1 8.40 0.015 . 1 . . . . 55 ASN HN . 6760 1 500 . 1 1 55 55 ASN HA H 1 4.77 0.015 . 1 . . . . 55 ASN HA . 6760 1 501 . 1 1 55 55 ASN HB2 H 1 2.92 0.015 . 2 . . . . 55 ASN HB2 . 6760 1 502 . 1 1 55 55 ASN HB3 H 1 2.44 0.015 . 2 . . . . 55 ASN HB3 . 6760 1 503 . 1 1 55 55 ASN CA C 13 50.9 0.15 . 1 . . . . 55 ASN CA . 6760 1 504 . 1 1 55 55 ASN CB C 13 37.8 0.15 . 1 . . . . 55 ASN CB . 6760 1 505 . 1 1 55 55 ASN N N 15 118.5 0.15 . 1 . . . . 55 ASN N . 6760 1 506 . 1 1 56 56 VAL H H 1 8.01 0.015 . 1 . . . . 56 VAL HN . 6760 1 507 . 1 1 56 56 VAL HA H 1 3.43 0.015 . 1 . . . . 56 VAL HA . 6760 1 508 . 1 1 56 56 VAL HB H 1 1.95 0.015 . 1 . . . . 56 VAL HB . 6760 1 509 . 1 1 56 56 VAL HG11 H 1 0.77 0.015 . 2 . . . . 56 VAL HG1 . 6760 1 510 . 1 1 56 56 VAL HG12 H 1 0.77 0.015 . 2 . . . . 56 VAL HG1 . 6760 1 511 . 1 1 56 56 VAL HG13 H 1 0.77 0.015 . 2 . . . . 56 VAL HG1 . 6760 1 512 . 1 1 56 56 VAL HG21 H 1 0.88 0.015 . 2 . . . . 56 VAL HG2 . 6760 1 513 . 1 1 56 56 VAL HG22 H 1 0.88 0.015 . 2 . . . . 56 VAL HG2 . 6760 1 514 . 1 1 56 56 VAL HG23 H 1 0.88 0.015 . 2 . . . . 56 VAL HG2 . 6760 1 515 . 1 1 56 56 VAL CA C 13 66.0 0.15 . 1 . . . . 56 VAL CA . 6760 1 516 . 1 1 56 56 VAL CB C 13 31.8 0.15 . 1 . . . . 56 VAL CB . 6760 1 517 . 1 1 56 56 VAL CG1 C 13 21.8 0.15 . 1 . . . . 56 VAL CG1 . 6760 1 518 . 1 1 56 56 VAL CG2 C 13 22.8 0.15 . 1 . . . . 56 VAL CG2 . 6760 1 519 . 1 1 56 56 VAL N N 15 124.0 0.15 . 1 . . . . 56 VAL N . 6760 1 520 . 1 1 57 57 LYS H H 1 8.30 0.015 . 1 . . . . 57 LYS HN . 6760 1 521 . 1 1 57 57 LYS HA H 1 3.95 0.015 . 1 . . . . 57 LYS HA . 6760 1 522 . 1 1 57 57 LYS HB2 H 1 1.81 0.015 . 1 . . . . 57 LYS HB2 . 6760 1 523 . 1 1 57 57 LYS HB3 H 1 1.81 0.015 . 1 . . . . 57 LYS HB3 . 6760 1 524 . 1 1 57 57 LYS HG2 H 1 1.47 0.015 . 2 . . . . 57 LYS HG2 . 6760 1 525 . 1 1 57 57 LYS HG3 H 1 1.33 0.015 . 2 . . . . 57 LYS HG3 . 6760 1 526 . 1 1 57 57 LYS HD2 H 1 1.65 0.015 . 1 . . . . 57 LYS HD2 . 6760 1 527 . 1 1 57 57 LYS HD3 H 1 1.65 0.015 . 1 . . . . 57 LYS HD3 . 6760 1 528 . 1 1 57 57 LYS HE2 H 1 2.94 0.015 . 1 . . . . 57 LYS HE2 . 6760 1 529 . 1 1 57 57 LYS HE3 H 1 2.94 0.015 . 1 . . . . 57 LYS HE3 . 6760 1 530 . 1 1 57 57 LYS CA C 13 59.9 0.15 . 1 . . . . 57 LYS CA . 6760 1 531 . 1 1 57 57 LYS CB C 13 32.1 0.15 . 1 . . . . 57 LYS CB . 6760 1 532 . 1 1 57 57 LYS CG C 13 24.8 0.15 . 1 . . . . 57 LYS CG . 6760 1 533 . 1 1 57 57 LYS CD C 13 29.3 0.15 . 1 . . . . 57 LYS CD . 6760 1 534 . 1 1 57 57 LYS N N 15 120.8 0.15 . 1 . . . . 57 LYS N . 6760 1 535 . 1 1 58 58 GLY H H 1 7.99 0.015 . 1 . . . . 58 GLY HN . 6760 1 536 . 1 1 58 58 GLY HA2 H 1 3.33 0.015 . 2 . . . . 58 GLY HA1 . 6760 1 537 . 1 1 58 58 GLY HA3 H 1 3.81 0.015 . 2 . . . . 58 GLY HA2 . 6760 1 538 . 1 1 58 58 GLY CA C 13 47.5 0.15 . 1 . . . . 58 GLY CA . 6760 1 539 . 1 1 58 58 GLY N N 15 106.0 0.15 . 1 . . . . 58 GLY N . 6760 1 540 . 1 1 59 59 MET H H 1 7.63 0.015 . 1 . . . . 59 MET HN . 6760 1 541 . 1 1 59 59 MET HA H 1 3.72 0.015 . 1 . . . . 59 MET HA . 6760 1 542 . 1 1 59 59 MET HB2 H 1 2.09 0.015 . 2 . . . . 59 MET HB2 . 6760 1 543 . 1 1 59 59 MET HB3 H 1 2.67 0.015 . 2 . . . . 59 MET HB3 . 6760 1 544 . 1 1 59 59 MET HG2 H 1 2.49 0.015 . 1 . . . . 59 MET HG2 . 6760 1 545 . 1 1 59 59 MET HG3 H 1 2.49 0.015 . 1 . . . . 59 MET HG3 . 6760 1 546 . 1 1 59 59 MET HE1 H 1 1.39 0.015 . 1 . . . . 59 MET HE . 6760 1 547 . 1 1 59 59 MET HE2 H 1 1.39 0.015 . 1 . . . . 59 MET HE . 6760 1 548 . 1 1 59 59 MET HE3 H 1 1.39 0.015 . 1 . . . . 59 MET HE . 6760 1 549 . 1 1 59 59 MET CA C 13 60.2 0.15 . 1 . . . . 59 MET CA . 6760 1 550 . 1 1 59 59 MET CB C 13 32.6 0.15 . 1 . . . . 59 MET CB . 6760 1 551 . 1 1 59 59 MET CE C 13 17.5 0.15 . 1 . . . . 59 MET CE . 6760 1 552 . 1 1 59 59 MET N N 15 122.3 0.15 . 1 . . . . 59 MET N . 6760 1 553 . 1 1 60 60 PHE H H 1 8.31 0.015 . 1 . . . . 60 PHE HN . 6760 1 554 . 1 1 60 60 PHE HA H 1 4.31 0.015 . 1 . . . . 60 PHE HA . 6760 1 555 . 1 1 60 60 PHE HB2 H 1 3.24 0.015 . 1 . . . . 60 PHE HB2 . 6760 1 556 . 1 1 60 60 PHE HB3 H 1 3.24 0.015 . 1 . . . . 60 PHE HB3 . 6760 1 557 . 1 1 60 60 PHE HD1 H 1 7.32 0.015 . 1 . . . . 60 PHE HD1 . 6760 1 558 . 1 1 60 60 PHE HD2 H 1 7.32 0.015 . 1 . . . . 60 PHE HD2 . 6760 1 559 . 1 1 60 60 PHE HE1 H 1 7.22 0.015 . 1 . . . . 60 PHE HE1 . 6760 1 560 . 1 1 60 60 PHE HE2 H 1 7.22 0.015 . 1 . . . . 60 PHE HE2 . 6760 1 561 . 1 1 60 60 PHE HZ H 1 7.12 0.015 . 1 . . . . 60 PHE HZ . 6760 1 562 . 1 1 60 60 PHE CA C 13 60.7 0.15 . 1 . . . . 60 PHE CA . 6760 1 563 . 1 1 60 60 PHE CB C 13 37.9 0.15 . 1 . . . . 60 PHE CB . 6760 1 564 . 1 1 60 60 PHE N N 15 118.6 0.15 . 1 . . . . 60 PHE N . 6760 1 565 . 1 1 61 61 GLU H H 1 8.10 0.015 . 1 . . . . 61 GLU HN . 6760 1 566 . 1 1 61 61 GLU HA H 1 4.01 0.015 . 1 . . . . 61 GLU HA . 6760 1 567 . 1 1 61 61 GLU HB2 H 1 2.16 0.015 . 1 . . . . 61 GLU HB2 . 6760 1 568 . 1 1 61 61 GLU HB3 H 1 2.16 0.015 . 1 . . . . 61 GLU HB3 . 6760 1 569 . 1 1 61 61 GLU HG2 H 1 2.02 0.015 . 2 . . . . 61 GLU HG2 . 6760 1 570 . 1 1 61 61 GLU HG3 H 1 1.72 0.015 . 2 . . . . 61 GLU HG3 . 6760 1 571 . 1 1 61 61 GLU CA C 13 59.2 0.15 . 1 . . . . 61 GLU CA . 6760 1 572 . 1 1 61 61 GLU CB C 13 29.4 0.15 . 1 . . . . 61 GLU CB . 6760 1 573 . 1 1 61 61 GLU CG C 13 36.6 0.15 . 1 . . . . 61 GLU CG . 6760 1 574 . 1 1 61 61 GLU N N 15 118.3 0.15 . 1 . . . . 61 GLU N . 6760 1 575 . 1 1 62 62 VAL H H 1 7.40 0.015 . 1 . . . . 62 VAL HN . 6760 1 576 . 1 1 62 62 VAL HA H 1 3.73 0.015 . 1 . . . . 62 VAL HA . 6760 1 577 . 1 1 62 62 VAL HB H 1 1.96 0.015 . 1 . . . . 62 VAL HB . 6760 1 578 . 1 1 62 62 VAL HG11 H 1 0.81 0.015 . 2 . . . . 62 VAL HG1 . 6760 1 579 . 1 1 62 62 VAL HG12 H 1 0.81 0.015 . 2 . . . . 62 VAL HG1 . 6760 1 580 . 1 1 62 62 VAL HG13 H 1 0.81 0.015 . 2 . . . . 62 VAL HG1 . 6760 1 581 . 1 1 62 62 VAL HG21 H 1 0.86 0.015 . 2 . . . . 62 VAL HG2 . 6760 1 582 . 1 1 62 62 VAL HG22 H 1 0.86 0.015 . 2 . . . . 62 VAL HG2 . 6760 1 583 . 1 1 62 62 VAL HG23 H 1 0.86 0.015 . 2 . . . . 62 VAL HG2 . 6760 1 584 . 1 1 62 62 VAL CA C 13 64.9 0.15 . 1 . . . . 62 VAL CA . 6760 1 585 . 1 1 62 62 VAL CB C 13 32.1 0.15 . 1 . . . . 62 VAL CB . 6760 1 586 . 1 1 62 62 VAL CG1 C 13 21.8 0.15 . 1 . . . . 62 VAL CG1 . 6760 1 587 . 1 1 62 62 VAL CG2 C 13 23.1 0.15 . 1 . . . . 62 VAL CG2 . 6760 1 588 . 1 1 62 62 VAL N N 15 117.2 0.15 . 1 . . . . 62 VAL N . 6760 1 589 . 1 1 63 63 LEU H H 1 7.39 0.015 . 1 . . . . 63 LEU HN . 6760 1 590 . 1 1 63 63 LEU HA H 1 3.85 0.015 . 1 . . . . 63 LEU HA . 6760 1 591 . 1 1 63 63 LEU HB2 H 1 1.45 0.015 . 2 . . . . 63 LEU HB2 . 6760 1 592 . 1 1 63 63 LEU HB3 H 1 1.80 0.015 . 2 . . . . 63 LEU HB3 . 6760 1 593 . 1 1 63 63 LEU HG H 1 1.61 0.015 . 1 . . . . 63 LEU HG . 6760 1 594 . 1 1 63 63 LEU HD11 H 1 0.34 0.015 . 2 . . . . 63 LEU HD1 . 6760 1 595 . 1 1 63 63 LEU HD12 H 1 0.34 0.015 . 2 . . . . 63 LEU HD1 . 6760 1 596 . 1 1 63 63 LEU HD13 H 1 0.34 0.015 . 2 . . . . 63 LEU HD1 . 6760 1 597 . 1 1 63 63 LEU HD21 H 1 0.27 0.015 . 2 . . . . 63 LEU HD2 . 6760 1 598 . 1 1 63 63 LEU HD22 H 1 0.27 0.015 . 2 . . . . 63 LEU HD2 . 6760 1 599 . 1 1 63 63 LEU HD23 H 1 0.27 0.015 . 2 . . . . 63 LEU HD2 . 6760 1 600 . 1 1 63 63 LEU CA C 13 56.9 0.15 . 1 . . . . 63 LEU CA . 6760 1 601 . 1 1 63 63 LEU CB C 13 42.2 0.15 . 1 . . . . 63 LEU CB . 6760 1 602 . 1 1 63 63 LEU CG C 13 26.2 0.15 . 1 . . . . 63 LEU CG . 6760 1 603 . 1 1 63 63 LEU CD1 C 13 25.2 0.15 . 1 . . . . 63 LEU CD1 . 6760 1 604 . 1 1 63 63 LEU CD2 C 13 21.8 0.15 . 1 . . . . 63 LEU CD2 . 6760 1 605 . 1 1 63 63 LEU N N 15 116.6 0.15 . 1 . . . . 63 LEU N . 6760 1 606 . 1 1 64 64 GLU H H 1 8.52 0.015 . 1 . . . . 64 GLU HN . 6760 1 607 . 1 1 64 64 GLU HA H 1 4.14 0.015 . 1 . . . . 64 GLU HA . 6760 1 608 . 1 1 64 64 GLU HB2 H 1 2.13 0.015 . 2 . . . . 64 GLU HB2 . 6760 1 609 . 1 1 64 64 GLU HB3 H 1 1.99 0.015 . 2 . . . . 64 GLU HB3 . 6760 1 610 . 1 1 64 64 GLU HG2 H 1 2.37 0.015 . 2 . . . . 64 GLU HG2 . 6760 1 611 . 1 1 64 64 GLU HG3 H 1 2.17 0.015 . 2 . . . . 64 GLU HG3 . 6760 1 612 . 1 1 64 64 GLU CA C 13 62.3 0.15 . 1 . . . . 64 GLU CA . 6760 1 613 . 1 1 64 64 GLU CB C 13 27.0 0.15 . 1 . . . . 64 GLU CB . 6760 1 614 . 1 1 64 64 GLU CG C 13 36.9 0.15 . 1 . . . . 64 GLU CG . 6760 1 615 . 1 1 64 64 GLU N N 15 120.1 0.15 . 1 . . . . 64 GLU N . 6760 1 616 . 1 1 65 65 PRO HA H 1 4.27 0.015 . 1 . . . . 65 PRO HA . 6760 1 617 . 1 1 65 65 PRO HB2 H 1 2.14 0.015 . 2 . . . . 65 PRO HB2 . 6760 1 618 . 1 1 65 65 PRO HB3 H 1 1.53 0.015 . 2 . . . . 65 PRO HB3 . 6760 1 619 . 1 1 65 65 PRO HG2 H 1 1.83 0.015 . 1 . . . . 65 PRO HG2 . 6760 1 620 . 1 1 65 65 PRO HG3 H 1 1.83 0.015 . 1 . . . . 65 PRO HG3 . 6760 1 621 . 1 1 65 65 PRO HD2 H 1 3.55 0.015 . 2 . . . . 65 PRO HD2 . 6760 1 622 . 1 1 65 65 PRO HD3 H 1 3.47 0.015 . 2 . . . . 65 PRO HD3 . 6760 1 623 . 1 1 65 65 PRO CA C 13 65.4 0.15 . 1 . . . . 65 PRO CA . 6760 1 624 . 1 1 65 65 PRO CB C 13 31.1 0.15 . 1 . . . . 65 PRO CB . 6760 1 625 . 1 1 65 65 PRO CG C 13 28.0 0.15 . 1 . . . . 65 PRO CG . 6760 1 626 . 1 1 65 65 PRO CD C 13 50.9 0.15 . 1 . . . . 65 PRO CD . 6760 1 627 . 1 1 66 66 LEU H H 1 6.64 0.015 . 1 . . . . 66 LEU HN . 6760 1 628 . 1 1 66 66 LEU HA H 1 3.52 0.015 . 1 . . . . 66 LEU HA . 6760 1 629 . 1 1 66 66 LEU HB2 H 1 0.79 0.015 . 2 . . . . 66 LEU HB2 . 6760 1 630 . 1 1 66 66 LEU HB3 H 1 -0.92 0.015 . 2 . . . . 66 LEU HB3 . 6760 1 631 . 1 1 66 66 LEU HG H 1 1.13 0.015 . 1 . . . . 66 LEU HG . 6760 1 632 . 1 1 66 66 LEU HD11 H 1 -0.02 0.015 . 2 . . . . 66 LEU HD1 . 6760 1 633 . 1 1 66 66 LEU HD12 H 1 -0.02 0.015 . 2 . . . . 66 LEU HD1 . 6760 1 634 . 1 1 66 66 LEU HD13 H 1 -0.02 0.015 . 2 . . . . 66 LEU HD1 . 6760 1 635 . 1 1 66 66 LEU HD21 H 1 -0.10 0.015 . 2 . . . . 66 LEU HD2 . 6760 1 636 . 1 1 66 66 LEU HD22 H 1 -0.10 0.015 . 2 . . . . 66 LEU HD2 . 6760 1 637 . 1 1 66 66 LEU HD23 H 1 -0.10 0.015 . 2 . . . . 66 LEU HD2 . 6760 1 638 . 1 1 66 66 LEU CA C 13 56.8 0.15 . 1 . . . . 66 LEU CA . 6760 1 639 . 1 1 66 66 LEU CB C 13 38.7 0.15 . 1 . . . . 66 LEU CB . 6760 1 640 . 1 1 66 66 LEU CG C 13 25.5 0.15 . 1 . . . . 66 LEU CG . 6760 1 641 . 1 1 66 66 LEU CD1 C 13 25.9 0.15 . 1 . . . . 66 LEU CD1 . 6760 1 642 . 1 1 66 66 LEU CD2 C 13 22.3 0.15 . 1 . . . . 66 LEU CD2 . 6760 1 643 . 1 1 66 66 LEU N N 15 119.4 0.15 . 1 . . . . 66 LEU N . 6760 1 644 . 1 1 67 67 HIS H H 1 7.66 0.015 . 1 . . . . 67 HIS HN . 6760 1 645 . 1 1 67 67 HIS HA H 1 4.32 0.015 . 1 . . . . 67 HIS HA . 6760 1 646 . 1 1 67 67 HIS HB2 H 1 3.08 0.015 . 1 . . . . 67 HIS HB2 . 6760 1 647 . 1 1 67 67 HIS HB3 H 1 3.08 0.015 . 1 . . . . 67 HIS HB3 . 6760 1 648 . 1 1 67 67 HIS HD2 H 1 6.45 0.015 . 1 . . . . 67 HIS HD2 . 6760 1 649 . 1 1 67 67 HIS HE1 H 1 5.32 0.015 . 1 . . . . 67 HIS HE1 . 6760 1 650 . 1 1 67 67 HIS CA C 13 60.6 0.15 . 1 . . . . 67 HIS CA . 6760 1 651 . 1 1 67 67 HIS CB C 13 28.7 0.15 . 1 . . . . 67 HIS CB . 6760 1 652 . 1 1 67 67 HIS N N 15 117.4 0.15 . 1 . . . . 67 HIS N . 6760 1 653 . 1 1 68 68 ALA H H 1 8.34 0.015 . 1 . . . . 68 ALA HN . 6760 1 654 . 1 1 68 68 ALA HA H 1 4.07 0.015 . 1 . . . . 68 ALA HA . 6760 1 655 . 1 1 68 68 ALA HB1 H 1 1.35 0.015 . 1 . . . . 68 ALA HB . 6760 1 656 . 1 1 68 68 ALA HB2 H 1 1.35 0.015 . 1 . . . . 68 ALA HB . 6760 1 657 . 1 1 68 68 ALA HB3 H 1 1.35 0.015 . 1 . . . . 68 ALA HB . 6760 1 658 . 1 1 68 68 ALA CA C 13 55.4 0.15 . 1 . . . . 68 ALA CA . 6760 1 659 . 1 1 68 68 ALA CB C 13 17.8 0.15 . 1 . . . . 68 ALA CB . 6760 1 660 . 1 1 68 68 ALA N N 15 122.7 0.15 . 1 . . . . 68 ALA N . 6760 1 661 . 1 1 69 69 MET H H 1 7.54 0.015 . 1 . . . . 69 MET HN . 6760 1 662 . 1 1 69 69 MET HA H 1 3.99 0.015 . 1 . . . . 69 MET HA . 6760 1 663 . 1 1 69 69 MET HB2 H 1 1.97 0.015 . 1 . . . . 69 MET HB2 . 6760 1 664 . 1 1 69 69 MET HB3 H 1 1.97 0.015 . 1 . . . . 69 MET HB3 . 6760 1 665 . 1 1 69 69 MET HG2 H 1 2.28 0.015 . 2 . . . . 69 MET HG2 . 6760 1 666 . 1 1 69 69 MET HG3 H 1 2.09 0.015 . 2 . . . . 69 MET HG3 . 6760 1 667 . 1 1 69 69 MET HE1 H 1 1.23 0.015 . 1 . . . . 69 MET HE . 6760 1 668 . 1 1 69 69 MET HE2 H 1 1.23 0.015 . 1 . . . . 69 MET HE . 6760 1 669 . 1 1 69 69 MET HE3 H 1 1.23 0.015 . 1 . . . . 69 MET HE . 6760 1 670 . 1 1 69 69 MET CA C 13 58.3 0.15 . 1 . . . . 69 MET CA . 6760 1 671 . 1 1 69 69 MET CB C 13 31.8 0.15 . 1 . . . . 69 MET CB . 6760 1 672 . 1 1 69 69 MET CG C 13 31.1 0.15 . 1 . . . . 69 MET CG . 6760 1 673 . 1 1 69 69 MET CE C 13 17.1 0.15 . 1 . . . . 69 MET CE . 6760 1 674 . 1 1 69 69 MET N N 15 118.0 0.15 . 1 . . . . 69 MET N . 6760 1 675 . 1 1 70 70 MET H H 1 7.05 0.015 . 1 . . . . 70 MET HN . 6760 1 676 . 1 1 70 70 MET HA H 1 4.07 0.015 . 1 . . . . 70 MET HA . 6760 1 677 . 1 1 70 70 MET HG2 H 1 2.57 0.015 . 2 . . . . 70 MET HG2 . 6760 1 678 . 1 1 70 70 MET HG3 H 1 1.99 0.015 . 2 . . . . 70 MET HG3 . 6760 1 679 . 1 1 70 70 MET HE1 H 1 1.70 0.015 . 1 . . . . 70 MET HE . 6760 1 680 . 1 1 70 70 MET HE2 H 1 1.70 0.015 . 1 . . . . 70 MET HE . 6760 1 681 . 1 1 70 70 MET HE3 H 1 1.70 0.015 . 1 . . . . 70 MET HE . 6760 1 682 . 1 1 70 70 MET CA C 13 56.3 0.15 . 1 . . . . 70 MET CA . 6760 1 683 . 1 1 70 70 MET CG C 13 31.0 0.15 . 1 . . . . 70 MET CG . 6760 1 684 . 1 1 70 70 MET CE C 13 17.4 0.15 . 1 . . . . 70 MET CE . 6760 1 685 . 1 1 70 70 MET N N 15 115.5 0.15 . 1 . . . . 70 MET N . 6760 1 686 . 1 1 71 71 GLU H H 1 7.70 0.015 . 1 . . . . 71 GLU HN . 6760 1 687 . 1 1 71 71 GLU HA H 1 3.98 0.015 . 1 . . . . 71 GLU HA . 6760 1 688 . 1 1 71 71 GLU HB2 H 1 2.07 0.015 . 1 . . . . 71 GLU HB2 . 6760 1 689 . 1 1 71 71 GLU HB3 H 1 2.07 0.015 . 1 . . . . 71 GLU HB3 . 6760 1 690 . 1 1 71 71 GLU HG2 H 1 2.43 0.015 . 2 . . . . 71 GLU HG2 . 6760 1 691 . 1 1 71 71 GLU HG3 H 1 2.23 0.015 . 2 . . . . 71 GLU HG3 . 6760 1 692 . 1 1 71 71 GLU CA C 13 59.1 0.15 . 1 . . . . 71 GLU CA . 6760 1 693 . 1 1 71 71 GLU CB C 13 29.4 0.15 . 1 . . . . 71 GLU CB . 6760 1 694 . 1 1 71 71 GLU CG C 13 36.7 0.15 . 1 . . . . 71 GLU CG . 6760 1 695 . 1 1 71 71 GLU N N 15 120.2 0.15 . 1 . . . . 71 GLU N . 6760 1 696 . 1 1 72 72 ARG H H 1 7.56 0.015 . 1 . . . . 72 ARG HN . 6760 1 697 . 1 1 72 72 ARG HA H 1 4.19 0.015 . 1 . . . . 72 ARG HA . 6760 1 698 . 1 1 72 72 ARG HB2 H 1 1.95 0.015 . 1 . . . . 72 ARG HB2 . 6760 1 699 . 1 1 72 72 ARG HB3 H 1 1.95 0.015 . 1 . . . . 72 ARG HB3 . 6760 1 700 . 1 1 72 72 ARG HG2 H 1 1.71 0.015 . 2 . . . . 72 ARG HG2 . 6760 1 701 . 1 1 72 72 ARG HG3 H 1 1.95 0.015 . 2 . . . . 72 ARG HG3 . 6760 1 702 . 1 1 72 72 ARG HD2 H 1 3.19 0.015 . 1 . . . . 72 ARG HD2 . 6760 1 703 . 1 1 72 72 ARG HD3 H 1 3.19 0.015 . 1 . . . . 72 ARG HD3 . 6760 1 704 . 1 1 72 72 ARG CA C 13 57.9 0.15 . 1 . . . . 72 ARG CA . 6760 1 705 . 1 1 72 72 ARG CB C 13 29.8 0.15 . 1 . . . . 72 ARG CB . 6760 1 706 . 1 1 72 72 ARG CG C 13 26.9 0.15 . 1 . . . . 72 ARG CG . 6760 1 707 . 1 1 72 72 ARG CD C 13 43.7 0.15 . 1 . . . . 72 ARG CD . 6760 1 708 . 1 1 72 72 ARG N N 15 116.8 0.15 . 1 . . . . 72 ARG N . 6760 1 709 . 1 1 73 73 GLY H H 1 7.56 0.015 . 1 . . . . 73 GLY HN . 6760 1 710 . 1 1 73 73 GLY HA2 H 1 4.42 0.015 . 2 . . . . 73 GLY HA1 . 6760 1 711 . 1 1 73 73 GLY HA3 H 1 4.16 0.015 . 2 . . . . 73 GLY HA2 . 6760 1 712 . 1 1 73 73 GLY CA C 13 43.8 0.15 . 1 . . . . 73 GLY CA . 6760 1 713 . 1 1 73 73 GLY N N 15 106.6 0.15 . 1 . . . . 73 GLY N . 6760 1 714 . 1 1 74 74 PRO HA H 1 4.39 0.015 . 1 . . . . 74 PRO HA . 6760 1 715 . 1 1 74 74 PRO HB2 H 1 2.06 0.015 . 2 . . . . 74 PRO HB2 . 6760 1 716 . 1 1 74 74 PRO HB3 H 1 1.95 0.015 . 2 . . . . 74 PRO HB3 . 6760 1 717 . 1 1 74 74 PRO CA C 13 62.8 0.15 . 1 . . . . 74 PRO CA . 6760 1 718 . 1 1 75 75 GLN H H 1 9.68 0.015 . 1 . . . . 75 GLN HN . 6760 1 719 . 1 1 75 75 GLN HA H 1 4.42 0.015 . 1 . . . . 75 GLN HA . 6760 1 720 . 1 1 75 75 GLN HB2 H 1 2.17 0.015 . 2 . . . . 75 GLN HB2 . 6760 1 721 . 1 1 75 75 GLN HB3 H 1 1.87 0.015 . 2 . . . . 75 GLN HB3 . 6760 1 722 . 1 1 75 75 GLN HG2 H 1 2.35 0.015 . 2 . . . . 75 GLN HG2 . 6760 1 723 . 1 1 75 75 GLN HG3 H 1 2.32 0.015 . 2 . . . . 75 GLN HG3 . 6760 1 724 . 1 1 75 75 GLN CA C 13 55.6 0.15 . 1 . . . . 75 GLN CA . 6760 1 725 . 1 1 75 75 GLN CB C 13 30.9 0.15 . 1 . . . . 75 GLN CB . 6760 1 726 . 1 1 75 75 GLN CG C 13 33.8 0.15 . 1 . . . . 75 GLN CG . 6760 1 727 . 1 1 75 75 GLN N N 15 119.4 0.15 . 1 . . . . 75 GLN N . 6760 1 728 . 1 1 76 76 THR H H 1 7.13 0.015 . 1 . . . . 76 THR HN . 6760 1 729 . 1 1 76 76 THR HA H 1 4.61 0.015 . 1 . . . . 76 THR HA . 6760 1 730 . 1 1 76 76 THR HB H 1 4.53 0.015 . 1 . . . . 76 THR HB . 6760 1 731 . 1 1 76 76 THR HG21 H 1 1.01 0.015 . 1 . . . . 76 THR HG2 . 6760 1 732 . 1 1 76 76 THR HG22 H 1 1.01 0.015 . 1 . . . . 76 THR HG2 . 6760 1 733 . 1 1 76 76 THR HG23 H 1 1.01 0.015 . 1 . . . . 76 THR HG2 . 6760 1 734 . 1 1 76 76 THR CA C 13 59.0 0.15 . 1 . . . . 76 THR CA . 6760 1 735 . 1 1 76 76 THR CB C 13 72.3 0.15 . 1 . . . . 76 THR CB . 6760 1 736 . 1 1 76 76 THR CG2 C 13 21.3 0.15 . 1 . . . . 76 THR CG2 . 6760 1 737 . 1 1 76 76 THR N N 15 108.5 0.15 . 1 . . . . 76 THR N . 6760 1 738 . 1 1 77 77 LEU H H 1 7.82 0.015 . 1 . . . . 77 LEU HN . 6760 1 739 . 1 1 77 77 LEU HA H 1 4.04 0.015 . 1 . . . . 77 LEU HA . 6760 1 740 . 1 1 77 77 LEU HB2 H 1 1.56 0.015 . 2 . . . . 77 LEU HB2 . 6760 1 741 . 1 1 77 77 LEU HB3 H 1 1.70 0.015 . 2 . . . . 77 LEU HB3 . 6760 1 742 . 1 1 77 77 LEU HG H 1 1.63 0.015 . 1 . . . . 77 LEU HG . 6760 1 743 . 1 1 77 77 LEU HD11 H 1 0.81 0.015 . 2 . . . . 77 LEU HD1 . 6760 1 744 . 1 1 77 77 LEU HD12 H 1 0.81 0.015 . 2 . . . . 77 LEU HD1 . 6760 1 745 . 1 1 77 77 LEU HD13 H 1 0.81 0.015 . 2 . . . . 77 LEU HD1 . 6760 1 746 . 1 1 77 77 LEU HD21 H 1 0.86 0.015 . 2 . . . . 77 LEU HD2 . 6760 1 747 . 1 1 77 77 LEU HD22 H 1 0.86 0.015 . 2 . . . . 77 LEU HD2 . 6760 1 748 . 1 1 77 77 LEU HD23 H 1 0.86 0.015 . 2 . . . . 77 LEU HD2 . 6760 1 749 . 1 1 77 77 LEU CA C 13 58.6 0.15 . 1 . . . . 77 LEU CA . 6760 1 750 . 1 1 77 77 LEU CB C 13 41.5 0.15 . 1 . . . . 77 LEU CB . 6760 1 751 . 1 1 77 77 LEU CG C 13 27.1 0.15 . 1 . . . . 77 LEU CG . 6760 1 752 . 1 1 77 77 LEU CD1 C 13 23.5 0.15 . 1 . . . . 77 LEU CD1 . 6760 1 753 . 1 1 77 77 LEU CD2 C 13 24.5 0.15 . 1 . . . . 77 LEU CD2 . 6760 1 754 . 1 1 77 77 LEU N N 15 121.4 0.15 . 1 . . . . 77 LEU N . 6760 1 755 . 1 1 78 78 LYS H H 1 7.13 0.015 . 1 . . . . 78 LYS HN . 6760 1 756 . 1 1 78 78 LYS HA H 1 4.14 0.015 . 1 . . . . 78 LYS HA . 6760 1 757 . 1 1 78 78 LYS HB2 H 1 1.79 0.015 . 1 . . . . 78 LYS HB2 . 6760 1 758 . 1 1 78 78 LYS HB3 H 1 1.79 0.015 . 1 . . . . 78 LYS HB3 . 6760 1 759 . 1 1 78 78 LYS CA C 13 59.7 0.15 . 1 . . . . 78 LYS CA . 6760 1 760 . 1 1 78 78 LYS CB C 13 32.2 0.15 . 1 . . . . 78 LYS CB . 6760 1 761 . 1 1 79 79 GLU H H 1 7.79 0.015 . 1 . . . . 79 GLU HN . 6760 1 762 . 1 1 79 79 GLU HA H 1 3.58 0.015 . 1 . . . . 79 GLU HA . 6760 1 763 . 1 1 79 79 GLU CA C 13 59.4 0.15 . 1 . . . . 79 GLU CA . 6760 1 764 . 1 1 79 79 GLU N N 15 121.4 0.15 . 1 . . . . 79 GLU N . 6760 1 765 . 1 1 80 80 THR H H 1 8.38 0.015 . 1 . . . . 80 THR HN . 6760 1 766 . 1 1 80 80 THR HA H 1 3.70 0.015 . 1 . . . . 80 THR HA . 6760 1 767 . 1 1 80 80 THR HB H 1 4.34 0.015 . 1 . . . . 80 THR HB . 6760 1 768 . 1 1 80 80 THR HG21 H 1 1.18 0.015 . 1 . . . . 80 THR HG2 . 6760 1 769 . 1 1 80 80 THR HG22 H 1 1.18 0.015 . 1 . . . . 80 THR HG2 . 6760 1 770 . 1 1 80 80 THR HG23 H 1 1.18 0.015 . 1 . . . . 80 THR HG2 . 6760 1 771 . 1 1 80 80 THR CA C 13 67.5 0.15 . 1 . . . . 80 THR CA . 6760 1 772 . 1 1 80 80 THR CB C 13 68.2 0.15 . 1 . . . . 80 THR CB . 6760 1 773 . 1 1 80 80 THR CG2 C 13 21.2 0.15 . 1 . . . . 80 THR CG2 . 6760 1 774 . 1 1 80 80 THR N N 15 118.7 0.15 . 1 . . . . 80 THR N . 6760 1 775 . 1 1 81 81 SER H H 1 8.37 0.015 . 1 . . . . 81 SER HN . 6760 1 776 . 1 1 81 81 SER HA H 1 3.95 0.015 . 1 . . . . 81 SER HA . 6760 1 777 . 1 1 81 81 SER CA C 13 61.8 0.15 . 1 . . . . 81 SER CA . 6760 1 778 . 1 1 81 81 SER CB C 13 62.3 0.15 . 1 . . . . 81 SER CB . 6760 1 779 . 1 1 81 81 SER N N 15 118.1 0.15 . 1 . . . . 81 SER N . 6760 1 780 . 1 1 82 82 PHE H H 1 8.12 0.015 . 1 . . . . 82 PHE HN . 6760 1 781 . 1 1 82 82 PHE HA H 1 4.17 0.015 . 1 . . . . 82 PHE HA . 6760 1 782 . 1 1 82 82 PHE HB2 H 1 3.71 0.015 . 2 . . . . 82 PHE HB2 . 6760 1 783 . 1 1 82 82 PHE HB3 H 1 3.51 0.015 . 2 . . . . 82 PHE HB3 . 6760 1 784 . 1 1 82 82 PHE HD1 H 1 7.34 0.015 . 1 . . . . 82 PHE HD1 . 6760 1 785 . 1 1 82 82 PHE HD2 H 1 7.34 0.015 . 1 . . . . 82 PHE HD2 . 6760 1 786 . 1 1 82 82 PHE CA C 13 62.1 0.15 . 1 . . . . 82 PHE CA . 6760 1 787 . 1 1 82 82 PHE CB C 13 39.5 0.15 . 1 . . . . 82 PHE CB . 6760 1 788 . 1 1 82 82 PHE N N 15 123.9 0.15 . 1 . . . . 82 PHE N . 6760 1 789 . 1 1 83 83 ASN H H 1 9.07 0.015 . 1 . . . . 83 ASN HN . 6760 1 790 . 1 1 83 83 ASN HA H 1 4.36 0.015 . 1 . . . . 83 ASN HA . 6760 1 791 . 1 1 83 83 ASN HB2 H 1 3.17 0.015 . 2 . . . . 83 ASN HB2 . 6760 1 792 . 1 1 83 83 ASN HB3 H 1 3.05 0.015 . 2 . . . . 83 ASN HB3 . 6760 1 793 . 1 1 83 83 ASN CA C 13 57.2 0.15 . 1 . . . . 83 ASN CA . 6760 1 794 . 1 1 83 83 ASN CB C 13 39.8 0.15 . 1 . . . . 83 ASN CB . 6760 1 795 . 1 1 83 83 ASN N N 15 118.6 0.15 . 1 . . . . 83 ASN N . 6760 1 796 . 1 1 84 84 GLN H H 1 8.62 0.015 . 1 . . . . 84 GLN HN . 6760 1 797 . 1 1 84 84 GLN HA H 1 3.90 0.015 . 1 . . . . 84 GLN HA . 6760 1 798 . 1 1 84 84 GLN HB2 H 1 2.13 0.015 . 2 . . . . 84 GLN HB2 . 6760 1 799 . 1 1 84 84 GLN HB3 H 1 1.98 0.015 . 2 . . . . 84 GLN HB3 . 6760 1 800 . 1 1 84 84 GLN HG2 H 1 2.34 0.015 . 2 . . . . 84 GLN HG2 . 6760 1 801 . 1 1 84 84 GLN HG3 H 1 2.50 0.015 . 2 . . . . 84 GLN HG3 . 6760 1 802 . 1 1 84 84 GLN CA C 13 58.9 0.15 . 1 . . . . 84 GLN CA . 6760 1 803 . 1 1 84 84 GLN CB C 13 28.3 0.15 . 1 . . . . 84 GLN CB . 6760 1 804 . 1 1 84 84 GLN CG C 13 34.0 0.15 . 1 . . . . 84 GLN CG . 6760 1 805 . 1 1 84 84 GLN N N 15 118.9 0.15 . 1 . . . . 84 GLN N . 6760 1 806 . 1 1 85 85 ALA H H 1 7.31 0.015 . 1 . . . . 85 ALA HN . 6760 1 807 . 1 1 85 85 ALA HA H 1 3.84 0.015 . 1 . . . . 85 ALA HA . 6760 1 808 . 1 1 85 85 ALA HB1 H 1 0.38 0.015 . 1 . . . . 85 ALA HB . 6760 1 809 . 1 1 85 85 ALA HB2 H 1 0.38 0.015 . 1 . . . . 85 ALA HB . 6760 1 810 . 1 1 85 85 ALA HB3 H 1 0.38 0.015 . 1 . . . . 85 ALA HB . 6760 1 811 . 1 1 85 85 ALA CA C 13 54.4 0.15 . 1 . . . . 85 ALA CA . 6760 1 812 . 1 1 85 85 ALA CB C 13 17.5 0.15 . 1 . . . . 85 ALA CB . 6760 1 813 . 1 1 85 85 ALA N N 15 119.9 0.15 . 1 . . . . 85 ALA N . 6760 1 814 . 1 1 86 86 TYR H H 1 7.74 0.015 . 1 . . . . 86 TYR HN . 6760 1 815 . 1 1 86 86 TYR HA H 1 4.70 0.015 . 1 . . . . 86 TYR HA . 6760 1 816 . 1 1 86 86 TYR HB2 H 1 1.50 0.015 . 2 . . . . 86 TYR HB2 . 6760 1 817 . 1 1 86 86 TYR HB3 H 1 2.73 0.015 . 2 . . . . 86 TYR HB3 . 6760 1 818 . 1 1 86 86 TYR HD1 H 1 5.99 0.015 . 1 . . . . 86 TYR HD1 . 6760 1 819 . 1 1 86 86 TYR HD2 H 1 5.99 0.015 . 1 . . . . 86 TYR HD2 . 6760 1 820 . 1 1 86 86 TYR HE1 H 1 6.36 0.015 . 1 . . . . 86 TYR HE1 . 6760 1 821 . 1 1 86 86 TYR HE2 H 1 6.36 0.015 . 1 . . . . 86 TYR HE2 . 6760 1 822 . 1 1 86 86 TYR CA C 13 57.1 0.15 . 1 . . . . 86 TYR CA . 6760 1 823 . 1 1 86 86 TYR CB C 13 40.5 0.15 . 1 . . . . 86 TYR CB . 6760 1 824 . 1 1 86 86 TYR N N 15 112.8 0.15 . 1 . . . . 86 TYR N . 6760 1 825 . 1 1 87 87 GLY H H 1 8.24 0.015 . 1 . . . . 87 GLY HN . 6760 1 826 . 1 1 87 87 GLY HA2 H 1 3.57 0.015 . 2 . . . . 87 GLY HA1 . 6760 1 827 . 1 1 87 87 GLY HA3 H 1 4.08 0.015 . 2 . . . . 87 GLY HA2 . 6760 1 828 . 1 1 87 87 GLY CA C 13 47.9 0.15 . 1 . . . . 87 GLY CA . 6760 1 829 . 1 1 87 87 GLY N N 15 107.7 0.15 . 1 . . . . 87 GLY N . 6760 1 830 . 1 1 88 88 ARG H H 1 8.39 0.015 . 1 . . . . 88 ARG HN . 6760 1 831 . 1 1 88 88 ARG HA H 1 3.99 0.015 . 1 . . . . 88 ARG HA . 6760 1 832 . 1 1 88 88 ARG HB2 H 1 1.79 0.015 . 2 . . . . 88 ARG HB2 . 6760 1 833 . 1 1 88 88 ARG HB3 H 1 1.69 0.015 . 2 . . . . 88 ARG HB3 . 6760 1 834 . 1 1 88 88 ARG HD2 H 1 3.04 0.015 . 2 . . . . 88 ARG HD2 . 6760 1 835 . 1 1 88 88 ARG HD3 H 1 3.14 0.015 . 2 . . . . 88 ARG HD3 . 6760 1 836 . 1 1 88 88 ARG CA C 13 59.7 0.15 . 1 . . . . 88 ARG CA . 6760 1 837 . 1 1 88 88 ARG CB C 13 29.0 0.15 . 1 . . . . 88 ARG CB . 6760 1 838 . 1 1 88 88 ARG N N 15 122.7 0.15 . 1 . . . . 88 ARG N . 6760 1 839 . 1 1 89 89 ASP H H 1 7.97 0.015 . 1 . . . . 89 ASP HN . 6760 1 840 . 1 1 89 89 ASP HA H 1 4.29 0.015 . 1 . . . . 89 ASP HA . 6760 1 841 . 1 1 89 89 ASP HB2 H 1 2.47 0.015 . 2 . . . . 89 ASP HB2 . 6760 1 842 . 1 1 89 89 ASP HB3 H 1 2.28 0.015 . 2 . . . . 89 ASP HB3 . 6760 1 843 . 1 1 89 89 ASP CA C 13 57.6 0.15 . 1 . . . . 89 ASP CA . 6760 1 844 . 1 1 89 89 ASP CB C 13 40.7 0.15 . 1 . . . . 89 ASP CB . 6760 1 845 . 1 1 89 89 ASP N N 15 120.5 0.15 . 1 . . . . 89 ASP N . 6760 1 846 . 1 1 90 90 LEU H H 1 7.93 0.015 . 1 . . . . 90 LEU HN . 6760 1 847 . 1 1 90 90 LEU HA H 1 3.86 0.015 . 1 . . . . 90 LEU HA . 6760 1 848 . 1 1 90 90 LEU HB2 H 1 1.03 0.015 . 2 . . . . 90 LEU HB2 . 6760 1 849 . 1 1 90 90 LEU HB3 H 1 1.77 0.015 . 2 . . . . 90 LEU HB3 . 6760 1 850 . 1 1 90 90 LEU HG H 1 1.46 0.015 . 1 . . . . 90 LEU HG . 6760 1 851 . 1 1 90 90 LEU HD11 H 1 -0.21 0.015 . 2 . . . . 90 LEU HD1 . 6760 1 852 . 1 1 90 90 LEU HD12 H 1 -0.21 0.015 . 2 . . . . 90 LEU HD1 . 6760 1 853 . 1 1 90 90 LEU HD13 H 1 -0.21 0.015 . 2 . . . . 90 LEU HD1 . 6760 1 854 . 1 1 90 90 LEU HD21 H 1 0.10 0.015 . 2 . . . . 90 LEU HD2 . 6760 1 855 . 1 1 90 90 LEU HD22 H 1 0.10 0.015 . 2 . . . . 90 LEU HD2 . 6760 1 856 . 1 1 90 90 LEU HD23 H 1 0.10 0.015 . 2 . . . . 90 LEU HD2 . 6760 1 857 . 1 1 90 90 LEU CA C 13 57.7 0.15 . 1 . . . . 90 LEU CA . 6760 1 858 . 1 1 90 90 LEU CB C 13 41.3 0.15 . 1 . . . . 90 LEU CB . 6760 1 859 . 1 1 90 90 LEU CG C 13 26.1 0.15 . 1 . . . . 90 LEU CG . 6760 1 860 . 1 1 90 90 LEU CD1 C 13 24.4 0.15 . 1 . . . . 90 LEU CD1 . 6760 1 861 . 1 1 90 90 LEU CD2 C 13 21.1 0.15 . 1 . . . . 90 LEU CD2 . 6760 1 862 . 1 1 90 90 LEU N N 15 117.5 0.15 . 1 . . . . 90 LEU N . 6760 1 863 . 1 1 91 91 MET H H 1 8.20 0.015 . 1 . . . . 91 MET HN . 6760 1 864 . 1 1 91 91 MET HA H 1 4.12 0.015 . 1 . . . . 91 MET HA . 6760 1 865 . 1 1 91 91 MET HB2 H 1 2.12 0.015 . 2 . . . . 91 MET HB2 . 6760 1 866 . 1 1 91 91 MET HB3 H 1 2.20 0.015 . 2 . . . . 91 MET HB3 . 6760 1 867 . 1 1 91 91 MET HG2 H 1 2.53 0.015 . 2 . . . . 91 MET HG2 . 6760 1 868 . 1 1 91 91 MET HG3 H 1 2.68 0.015 . 2 . . . . 91 MET HG3 . 6760 1 869 . 1 1 91 91 MET HE1 H 1 2.01 0.015 . 1 . . . . 91 MET HE . 6760 1 870 . 1 1 91 91 MET HE2 H 1 2.01 0.015 . 1 . . . . 91 MET HE . 6760 1 871 . 1 1 91 91 MET HE3 H 1 2.01 0.015 . 1 . . . . 91 MET HE . 6760 1 872 . 1 1 91 91 MET CA C 13 58.9 0.15 . 1 . . . . 91 MET CA . 6760 1 873 . 1 1 91 91 MET CB C 13 32.1 0.15 . 1 . . . . 91 MET CB . 6760 1 874 . 1 1 91 91 MET CG C 13 32.2 0.15 . 1 . . . . 91 MET CG . 6760 1 875 . 1 1 91 91 MET CE C 13 16.6 0.15 . 1 . . . . 91 MET CE . 6760 1 876 . 1 1 91 91 MET N N 15 119.9 0.15 . 1 . . . . 91 MET N . 6760 1 877 . 1 1 92 92 GLU H H 1 8.22 0.015 . 1 . . . . 92 GLU HN . 6760 1 878 . 1 1 92 92 GLU HA H 1 3.87 0.015 . 1 . . . . 92 GLU HA . 6760 1 879 . 1 1 92 92 GLU HB2 H 1 2.10 0.015 . 2 . . . . 92 GLU HB2 . 6760 1 880 . 1 1 92 92 GLU HB3 H 1 2.06 0.015 . 2 . . . . 92 GLU HB3 . 6760 1 881 . 1 1 92 92 GLU HG2 H 1 2.27 0.015 . 2 . . . . 92 GLU HG2 . 6760 1 882 . 1 1 92 92 GLU HG3 H 1 2.37 0.015 . 2 . . . . 92 GLU HG3 . 6760 1 883 . 1 1 92 92 GLU CA C 13 59.3 0.15 . 1 . . . . 92 GLU CA . 6760 1 884 . 1 1 92 92 GLU CB C 13 28.9 0.15 . 1 . . . . 92 GLU CB . 6760 1 885 . 1 1 92 92 GLU CG C 13 36.8 0.15 . 1 . . . . 92 GLU CG . 6760 1 886 . 1 1 92 92 GLU N N 15 121.4 0.15 . 1 . . . . 92 GLU N . 6760 1 887 . 1 1 93 93 ALA H H 1 8.28 0.015 . 1 . . . . 93 ALA HN . 6760 1 888 . 1 1 93 93 ALA HA H 1 3.77 0.015 . 1 . . . . 93 ALA HA . 6760 1 889 . 1 1 93 93 ALA HB1 H 1 0.57 0.015 . 1 . . . . 93 ALA HB . 6760 1 890 . 1 1 93 93 ALA HB2 H 1 0.57 0.015 . 1 . . . . 93 ALA HB . 6760 1 891 . 1 1 93 93 ALA HB3 H 1 0.57 0.015 . 1 . . . . 93 ALA HB . 6760 1 892 . 1 1 93 93 ALA CA C 13 56.4 0.15 . 1 . . . . 93 ALA CA . 6760 1 893 . 1 1 93 93 ALA CB C 13 16.6 0.15 . 1 . . . . 93 ALA CB . 6760 1 894 . 1 1 93 93 ALA N N 15 123.9 0.15 . 1 . . . . 93 ALA N . 6760 1 895 . 1 1 94 94 GLN H H 1 7.79 0.015 . 1 . . . . 94 GLN HN . 6760 1 896 . 1 1 94 94 GLN HA H 1 3.60 0.015 . 1 . . . . 94 GLN HA . 6760 1 897 . 1 1 94 94 GLN HG2 H 1 1.79 0.015 . 2 . . . . 94 GLN HG2 . 6760 1 898 . 1 1 94 94 GLN HG3 H 1 1.76 0.015 . 2 . . . . 94 GLN HG3 . 6760 1 899 . 1 1 94 94 GLN CA C 13 59.5 0.15 . 1 . . . . 94 GLN CA . 6760 1 900 . 1 1 94 94 GLN CB C 13 27.5 0.15 . 1 . . . . 94 GLN CB . 6760 1 901 . 1 1 94 94 GLN CG C 13 34.1 0.15 . 1 . . . . 94 GLN CG . 6760 1 902 . 1 1 94 94 GLN N N 15 117.3 0.15 . 1 . . . . 94 GLN N . 6760 1 903 . 1 1 95 95 GLU H H 1 7.75 0.015 . 1 . . . . 95 GLU HN . 6760 1 904 . 1 1 95 95 GLU HA H 1 3.85 0.015 . 1 . . . . 95 GLU HA . 6760 1 905 . 1 1 95 95 GLU HB2 H 1 1.79 0.015 . 2 . . . . 95 GLU HB2 . 6760 1 906 . 1 1 95 95 GLU HB3 H 1 1.96 0.015 . 2 . . . . 95 GLU HB3 . 6760 1 907 . 1 1 95 95 GLU HG2 H 1 1.99 0.015 . 1 . . . . 95 GLU HG2 . 6760 1 908 . 1 1 95 95 GLU HG3 H 1 1.99 0.015 . 1 . . . . 95 GLU HG3 . 6760 1 909 . 1 1 95 95 GLU CA C 13 59.4 0.15 . 1 . . . . 95 GLU CA . 6760 1 910 . 1 1 95 95 GLU CB C 13 28.5 0.15 . 1 . . . . 95 GLU CB . 6760 1 911 . 1 1 95 95 GLU CG C 13 35.7 0.15 . 1 . . . . 95 GLU CG . 6760 1 912 . 1 1 95 95 GLU N N 15 120.5 0.15 . 1 . . . . 95 GLU N . 6760 1 913 . 1 1 96 96 TRP H H 1 8.17 0.015 . 1 . . . . 96 TRP HN . 6760 1 914 . 1 1 96 96 TRP HA H 1 4.30 0.015 . 1 . . . . 96 TRP HA . 6760 1 915 . 1 1 96 96 TRP HB2 H 1 3.06 0.015 . 2 . . . . 96 TRP HB2 . 6760 1 916 . 1 1 96 96 TRP HB3 H 1 3.03 0.015 . 2 . . . . 96 TRP HB3 . 6760 1 917 . 1 1 96 96 TRP HD1 H 1 6.96 0.015 . 1 . . . . 96 TRP HD1 . 6760 1 918 . 1 1 96 96 TRP HE1 H 1 10.60 0.015 . 1 . . . . 96 TRP HE1 . 6760 1 919 . 1 1 96 96 TRP HE3 H 1 7.64 0.015 . 1 . . . . 96 TRP HE3 . 6760 1 920 . 1 1 96 96 TRP HZ2 H 1 7.37 0.015 . 1 . . . . 96 TRP HZ2 . 6760 1 921 . 1 1 96 96 TRP HZ3 H 1 7.24 0.015 . 1 . . . . 96 TRP HZ3 . 6760 1 922 . 1 1 96 96 TRP HH2 H 1 7.14 0.015 . 1 . . . . 96 TRP HH2 . 6760 1 923 . 1 1 96 96 TRP CA C 13 61.5 0.15 . 1 . . . . 96 TRP CA . 6760 1 924 . 1 1 96 96 TRP CB C 13 28.8 0.15 . 1 . . . . 96 TRP CB . 6760 1 925 . 1 1 96 96 TRP N N 15 121.2 0.15 . 1 . . . . 96 TRP N . 6760 1 926 . 1 1 96 96 TRP NE1 N 15 128.9 0.15 . 1 . . . . 96 TRP NE1 . 6760 1 927 . 1 1 97 97 CYS H H 1 8.03 0.015 . 1 . . . . 97 CYS HN . 6760 1 928 . 1 1 97 97 CYS HA H 1 4.02 0.015 . 1 . . . . 97 CYS HA . 6760 1 929 . 1 1 97 97 CYS HB2 H 1 3.29 0.015 . 2 . . . . 97 CYS HB2 . 6760 1 930 . 1 1 97 97 CYS HB3 H 1 2.56 0.015 . 2 . . . . 97 CYS HB3 . 6760 1 931 . 1 1 97 97 CYS CA C 13 64.6 0.15 . 1 . . . . 97 CYS CA . 6760 1 932 . 1 1 97 97 CYS CB C 13 26.1 0.15 . 1 . . . . 97 CYS CB . 6760 1 933 . 1 1 97 97 CYS N N 15 118.6 0.15 . 1 . . . . 97 CYS N . 6760 1 934 . 1 1 98 98 ARG H H 1 8.34 0.015 . 1 . . . . 98 ARG HN . 6760 1 935 . 1 1 98 98 ARG HA H 1 3.91 0.015 . 1 . . . . 98 ARG HA . 6760 1 936 . 1 1 98 98 ARG HB2 H 1 1.68 0.015 . 2 . . . . 98 ARG HB2 . 6760 1 937 . 1 1 98 98 ARG HB3 H 1 1.79 0.015 . 2 . . . . 98 ARG HB3 . 6760 1 938 . 1 1 98 98 ARG HD2 H 1 3.04 0.015 . 2 . . . . 98 ARG HD2 . 6760 1 939 . 1 1 98 98 ARG HD3 H 1 3.14 0.015 . 2 . . . . 98 ARG HD3 . 6760 1 940 . 1 1 98 98 ARG CA C 13 59.8 0.15 . 1 . . . . 98 ARG CA . 6760 1 941 . 1 1 98 98 ARG CB C 13 29.3 0.15 . 1 . . . . 98 ARG CB . 6760 1 942 . 1 1 98 98 ARG CD C 13 43.1 0.15 . 1 . . . . 98 ARG CD . 6760 1 943 . 1 1 98 98 ARG N N 15 120.2 0.15 . 1 . . . . 98 ARG N . 6760 1 944 . 1 1 99 99 LYS H H 1 8.24 0.015 . 1 . . . . 99 LYS HN . 6760 1 945 . 1 1 99 99 LYS HA H 1 3.87 0.015 . 1 . . . . 99 LYS HA . 6760 1 946 . 1 1 99 99 LYS HB2 H 1 1.99 0.015 . 1 . . . . 99 LYS HB2 . 6760 1 947 . 1 1 99 99 LYS HB3 H 1 1.99 0.015 . 1 . . . . 99 LYS HB3 . 6760 1 948 . 1 1 99 99 LYS HG2 H 1 1.38 0.015 . 2 . . . . 99 LYS HG2 . 6760 1 949 . 1 1 99 99 LYS HG3 H 1 1.25 0.015 . 2 . . . . 99 LYS HG3 . 6760 1 950 . 1 1 99 99 LYS HD2 H 1 1.36 0.015 . 2 . . . . 99 LYS HD2 . 6760 1 951 . 1 1 99 99 LYS HD3 H 1 1.00 0.015 . 2 . . . . 99 LYS HD3 . 6760 1 952 . 1 1 99 99 LYS HE2 H 1 2.43 0.015 . 2 . . . . 99 LYS HE2 . 6760 1 953 . 1 1 99 99 LYS HE3 H 1 2.51 0.015 . 2 . . . . 99 LYS HE3 . 6760 1 954 . 1 1 99 99 LYS CA C 13 60.6 0.15 . 1 . . . . 99 LYS CA . 6760 1 955 . 1 1 99 99 LYS CB C 13 31.9 0.15 . 1 . . . . 99 LYS CB . 6760 1 956 . 1 1 99 99 LYS CG C 13 26.0 0.15 . 1 . . . . 99 LYS CG . 6760 1 957 . 1 1 99 99 LYS CD C 13 29.9 0.15 . 1 . . . . 99 LYS CD . 6760 1 958 . 1 1 99 99 LYS CE C 13 42.0 0.15 . 1 . . . . 99 LYS CE . 6760 1 959 . 1 1 99 99 LYS N N 15 121.8 0.15 . 1 . . . . 99 LYS N . 6760 1 960 . 1 1 100 100 TYR H H 1 8.38 0.015 . 1 . . . . 100 TYR HN . 6760 1 961 . 1 1 100 100 TYR HA H 1 4.55 0.015 . 1 . . . . 100 TYR HA . 6760 1 962 . 1 1 100 100 TYR HB2 H 1 3.43 0.015 . 2 . . . . 100 TYR HB2 . 6760 1 963 . 1 1 100 100 TYR HB3 H 1 3.09 0.015 . 2 . . . . 100 TYR HB3 . 6760 1 964 . 1 1 100 100 TYR HD1 H 1 7.12 0.015 . 1 . . . . 100 TYR HD1 . 6760 1 965 . 1 1 100 100 TYR HD2 H 1 7.12 0.015 . 1 . . . . 100 TYR HD2 . 6760 1 966 . 1 1 100 100 TYR HE1 H 1 6.57 0.015 . 1 . . . . 100 TYR HE1 . 6760 1 967 . 1 1 100 100 TYR HE2 H 1 6.57 0.015 . 1 . . . . 100 TYR HE2 . 6760 1 968 . 1 1 100 100 TYR CA C 13 60.9 0.15 . 1 . . . . 100 TYR CA . 6760 1 969 . 1 1 100 100 TYR CB C 13 37.7 0.15 . 1 . . . . 100 TYR CB . 6760 1 970 . 1 1 100 100 TYR N N 15 121.5 0.15 . 1 . . . . 100 TYR N . 6760 1 971 . 1 1 101 101 MET H H 1 8.03 0.015 . 1 . . . . 101 MET HN . 6760 1 972 . 1 1 101 101 MET HA H 1 3.79 0.015 . 1 . . . . 101 MET HA . 6760 1 973 . 1 1 101 101 MET HB2 H 1 2.10 0.015 . 2 . . . . 101 MET HB2 . 6760 1 974 . 1 1 101 101 MET HB3 H 1 1.97 0.015 . 2 . . . . 101 MET HB3 . 6760 1 975 . 1 1 101 101 MET HG2 H 1 2.58 0.015 . 2 . . . . 101 MET HG2 . 6760 1 976 . 1 1 101 101 MET HG3 H 1 2.67 0.015 . 2 . . . . 101 MET HG3 . 6760 1 977 . 1 1 101 101 MET HE1 H 1 1.65 0.015 . 1 . . . . 101 MET HE . 6760 1 978 . 1 1 101 101 MET HE2 H 1 1.65 0.015 . 1 . . . . 101 MET HE . 6760 1 979 . 1 1 101 101 MET HE3 H 1 1.65 0.015 . 1 . . . . 101 MET HE . 6760 1 980 . 1 1 101 101 MET CA C 13 58.1 0.15 . 1 . . . . 101 MET CA . 6760 1 981 . 1 1 101 101 MET CB C 13 31.6 0.15 . 1 . . . . 101 MET CB . 6760 1 982 . 1 1 101 101 MET CG C 13 32.6 0.15 . 1 . . . . 101 MET CG . 6760 1 983 . 1 1 101 101 MET CE C 13 16.4 0.15 . 1 . . . . 101 MET CE . 6760 1 984 . 1 1 101 101 MET N N 15 118.4 0.15 . 1 . . . . 101 MET N . 6760 1 985 . 1 1 102 102 LYS H H 1 7.16 0.015 . 1 . . . . 102 LYS HN . 6760 1 986 . 1 1 102 102 LYS HA H 1 4.22 0.015 . 1 . . . . 102 LYS HA . 6760 1 987 . 1 1 102 102 LYS HB2 H 1 1.79 0.015 . 1 . . . . 102 LYS HB2 . 6760 1 988 . 1 1 102 102 LYS HB3 H 1 1.79 0.015 . 1 . . . . 102 LYS HB3 . 6760 1 989 . 1 1 102 102 LYS HG2 H 1 1.31 0.015 . 2 . . . . 102 LYS HG2 . 6760 1 990 . 1 1 102 102 LYS HG3 H 1 1.41 0.015 . 2 . . . . 102 LYS HG3 . 6760 1 991 . 1 1 102 102 LYS HD2 H 1 1.55 0.015 . 1 . . . . 102 LYS HD2 . 6760 1 992 . 1 1 102 102 LYS HD3 H 1 1.55 0.015 . 1 . . . . 102 LYS HD3 . 6760 1 993 . 1 1 102 102 LYS HE2 H 1 2.85 0.015 . 1 . . . . 102 LYS HE2 . 6760 1 994 . 1 1 102 102 LYS HE3 H 1 2.85 0.015 . 1 . . . . 102 LYS HE3 . 6760 1 995 . 1 1 102 102 LYS CA C 13 57.4 0.15 . 1 . . . . 102 LYS CA . 6760 1 996 . 1 1 102 102 LYS CB C 13 33.4 0.15 . 1 . . . . 102 LYS CB . 6760 1 997 . 1 1 102 102 LYS CG C 13 24.9 0.15 . 1 . . . . 102 LYS CG . 6760 1 998 . 1 1 102 102 LYS CD C 13 28.8 0.15 . 1 . . . . 102 LYS CD . 6760 1 999 . 1 1 102 102 LYS CE C 13 42.0 0.15 . 1 . . . . 102 LYS CE . 6760 1 1000 . 1 1 102 102 LYS N N 15 115.8 0.15 . 1 . . . . 102 LYS N . 6760 1 1001 . 1 1 103 103 SER H H 1 8.92 0.015 . 1 . . . . 103 SER HN . 6760 1 1002 . 1 1 103 103 SER HA H 1 4.25 0.015 . 1 . . . . 103 SER HA . 6760 1 1003 . 1 1 103 103 SER HB2 H 1 3.93 0.015 . 1 . . . . 103 SER HB2 . 6760 1 1004 . 1 1 103 103 SER HB3 H 1 3.93 0.015 . 1 . . . . 103 SER HB3 . 6760 1 1005 . 1 1 103 103 SER CA C 13 59.5 0.15 . 1 . . . . 103 SER CA . 6760 1 1006 . 1 1 103 103 SER CB C 13 64.2 0.15 . 1 . . . . 103 SER CB . 6760 1 1007 . 1 1 103 103 SER N N 15 116.1 0.15 . 1 . . . . 103 SER N . 6760 1 1008 . 1 1 104 104 GLY H H 1 8.85 0.015 . 1 . . . . 104 GLY HN . 6760 1 1009 . 1 1 104 104 GLY HA2 H 1 3.11 0.015 . 2 . . . . 104 GLY HA1 . 6760 1 1010 . 1 1 104 104 GLY HA3 H 1 3.83 0.015 . 2 . . . . 104 GLY HA2 . 6760 1 1011 . 1 1 104 104 GLY CA C 13 46.3 0.15 . 1 . . . . 104 GLY CA . 6760 1 1012 . 1 1 104 104 GLY N N 15 113.7 0.15 . 1 . . . . 104 GLY N . 6760 1 1013 . 1 1 105 105 ASN H H 1 8.88 0.015 . 1 . . . . 105 ASN HN . 6760 1 1014 . 1 1 105 105 ASN HA H 1 4.84 0.015 . 1 . . . . 105 ASN HA . 6760 1 1015 . 1 1 105 105 ASN HB2 H 1 3.23 0.015 . 2 . . . . 105 ASN HB2 . 6760 1 1016 . 1 1 105 105 ASN HB3 H 1 2.64 0.015 . 2 . . . . 105 ASN HB3 . 6760 1 1017 . 1 1 105 105 ASN CA C 13 52.2 0.15 . 1 . . . . 105 ASN CA . 6760 1 1018 . 1 1 105 105 ASN CB C 13 38.3 0.15 . 1 . . . . 105 ASN CB . 6760 1 1019 . 1 1 105 105 ASN N N 15 119.6 0.15 . 1 . . . . 105 ASN N . 6760 1 1020 . 1 1 106 106 VAL H H 1 9.16 0.015 . 1 . . . . 106 VAL HN . 6760 1 1021 . 1 1 106 106 VAL HA H 1 3.87 0.015 . 1 . . . . 106 VAL HA . 6760 1 1022 . 1 1 106 106 VAL HB H 1 2.28 0.015 . 1 . . . . 106 VAL HB . 6760 1 1023 . 1 1 106 106 VAL HG11 H 1 1.05 0.015 . 2 . . . . 106 VAL HG1 . 6760 1 1024 . 1 1 106 106 VAL HG12 H 1 1.05 0.015 . 2 . . . . 106 VAL HG1 . 6760 1 1025 . 1 1 106 106 VAL HG13 H 1 1.05 0.015 . 2 . . . . 106 VAL HG1 . 6760 1 1026 . 1 1 106 106 VAL HG21 H 1 1.08 0.015 . 2 . . . . 106 VAL HG2 . 6760 1 1027 . 1 1 106 106 VAL HG22 H 1 1.08 0.015 . 2 . . . . 106 VAL HG2 . 6760 1 1028 . 1 1 106 106 VAL HG23 H 1 1.08 0.015 . 2 . . . . 106 VAL HG2 . 6760 1 1029 . 1 1 106 106 VAL CA C 13 65.8 0.15 . 1 . . . . 106 VAL CA . 6760 1 1030 . 1 1 106 106 VAL CB C 13 31.6 0.15 . 1 . . . . 106 VAL CB . 6760 1 1031 . 1 1 106 106 VAL CG1 C 13 20.7 0.15 . 1 . . . . 106 VAL CG1 . 6760 1 1032 . 1 1 106 106 VAL CG2 C 13 21.5 0.15 . 1 . . . . 106 VAL CG2 . 6760 1 1033 . 1 1 106 106 VAL N N 15 127.5 0.15 . 1 . . . . 106 VAL N . 6760 1 1034 . 1 1 107 107 LYS H H 1 8.30 0.015 . 1 . . . . 107 LYS HN . 6760 1 1035 . 1 1 107 107 LYS HA H 1 4.05 0.015 . 1 . . . . 107 LYS HA . 6760 1 1036 . 1 1 107 107 LYS HB2 H 1 1.72 0.015 . 1 . . . . 107 LYS HB2 . 6760 1 1037 . 1 1 107 107 LYS HB3 H 1 1.72 0.015 . 1 . . . . 107 LYS HB3 . 6760 1 1038 . 1 1 107 107 LYS HG2 H 1 1.47 0.015 . 2 . . . . 107 LYS HG2 . 6760 1 1039 . 1 1 107 107 LYS HG3 H 1 1.37 0.015 . 2 . . . . 107 LYS HG3 . 6760 1 1040 . 1 1 107 107 LYS HD2 H 1 1.63 0.015 . 1 . . . . 107 LYS HD2 . 6760 1 1041 . 1 1 107 107 LYS HD3 H 1 1.63 0.015 . 1 . . . . 107 LYS HD3 . 6760 1 1042 . 1 1 107 107 LYS HE2 H 1 2.91 0.015 . 1 . . . . 107 LYS HE2 . 6760 1 1043 . 1 1 107 107 LYS HE3 H 1 2.91 0.015 . 1 . . . . 107 LYS HE3 . 6760 1 1044 . 1 1 107 107 LYS CA C 13 59.4 0.15 . 1 . . . . 107 LYS CA . 6760 1 1045 . 1 1 107 107 LYS CB C 13 31.8 0.15 . 1 . . . . 107 LYS CB . 6760 1 1046 . 1 1 107 107 LYS CG C 13 25.3 0.15 . 1 . . . . 107 LYS CG . 6760 1 1047 . 1 1 107 107 LYS CD C 13 29.1 0.15 . 1 . . . . 107 LYS CD . 6760 1 1048 . 1 1 107 107 LYS CE C 13 42.0 0.15 . 1 . . . . 107 LYS CE . 6760 1 1049 . 1 1 108 108 ASP H H 1 7.98 0.015 . 1 . . . . 108 ASP HN . 6760 1 1050 . 1 1 108 108 ASP HA H 1 4.55 0.015 . 1 . . . . 108 ASP HA . 6760 1 1051 . 1 1 108 108 ASP HB2 H 1 3.21 0.015 . 2 . . . . 108 ASP HB2 . 6760 1 1052 . 1 1 108 108 ASP HB3 H 1 3.03 0.015 . 2 . . . . 108 ASP HB3 . 6760 1 1053 . 1 1 108 108 ASP CA C 13 58.1 0.15 . 1 . . . . 108 ASP CA . 6760 1 1054 . 1 1 108 108 ASP CB C 13 40.7 0.15 . 1 . . . . 108 ASP CB . 6760 1 1055 . 1 1 108 108 ASP N N 15 120.1 0.15 . 1 . . . . 108 ASP N . 6760 1 1056 . 1 1 109 109 LEU H H 1 6.79 0.015 . 1 . . . . 109 LEU HN . 6760 1 1057 . 1 1 109 109 LEU HA H 1 4.00 0.015 . 1 . . . . 109 LEU HA . 6760 1 1058 . 1 1 109 109 LEU HB2 H 1 1.30 0.015 . 2 . . . . 109 LEU HB2 . 6760 1 1059 . 1 1 109 109 LEU HB3 H 1 1.09 0.015 . 2 . . . . 109 LEU HB3 . 6760 1 1060 . 1 1 109 109 LEU HG H 1 1.15 0.015 . 1 . . . . 109 LEU HG . 6760 1 1061 . 1 1 109 109 LEU HD11 H 1 0.31 0.015 . 2 . . . . 109 LEU HD1 . 6760 1 1062 . 1 1 109 109 LEU HD12 H 1 0.31 0.015 . 2 . . . . 109 LEU HD1 . 6760 1 1063 . 1 1 109 109 LEU HD13 H 1 0.31 0.015 . 2 . . . . 109 LEU HD1 . 6760 1 1064 . 1 1 109 109 LEU HD21 H 1 0.26 0.015 . 2 . . . . 109 LEU HD2 . 6760 1 1065 . 1 1 109 109 LEU HD22 H 1 0.26 0.015 . 2 . . . . 109 LEU HD2 . 6760 1 1066 . 1 1 109 109 LEU HD23 H 1 0.26 0.015 . 2 . . . . 109 LEU HD2 . 6760 1 1067 . 1 1 109 109 LEU CA C 13 56.8 0.15 . 1 . . . . 109 LEU CA . 6760 1 1068 . 1 1 109 109 LEU CB C 13 41.2 0.15 . 1 . . . . 109 LEU CB . 6760 1 1069 . 1 1 109 109 LEU CG C 13 26.8 0.15 . 1 . . . . 109 LEU CG . 6760 1 1070 . 1 1 109 109 LEU CD1 C 13 23.6 0.15 . 1 . . . . 109 LEU CD1 . 6760 1 1071 . 1 1 109 109 LEU CD2 C 13 24.3 0.15 . 1 . . . . 109 LEU CD2 . 6760 1 1072 . 1 1 109 109 LEU N N 15 118.8 0.15 . 1 . . . . 109 LEU N . 6760 1 1073 . 1 1 110 110 THR H H 1 8.52 0.015 . 1 . . . . 110 THR HN . 6760 1 1074 . 1 1 110 110 THR HA H 1 3.93 0.015 . 1 . . . . 110 THR HA . 6760 1 1075 . 1 1 110 110 THR HB H 1 4.22 0.015 . 1 . . . . 110 THR HB . 6760 1 1076 . 1 1 110 110 THR HG21 H 1 1.20 0.015 . 1 . . . . 110 THR HG2 . 6760 1 1077 . 1 1 110 110 THR HG22 H 1 1.20 0.015 . 1 . . . . 110 THR HG2 . 6760 1 1078 . 1 1 110 110 THR HG23 H 1 1.20 0.015 . 1 . . . . 110 THR HG2 . 6760 1 1079 . 1 1 110 110 THR CA C 13 66.8 0.15 . 1 . . . . 110 THR CA . 6760 1 1080 . 1 1 110 110 THR CB C 13 68.3 0.15 . 1 . . . . 110 THR CB . 6760 1 1081 . 1 1 110 110 THR CG2 C 13 22.1 0.15 . 1 . . . . 110 THR CG2 . 6760 1 1082 . 1 1 110 110 THR N N 15 116.6 0.15 . 1 . . . . 110 THR N . 6760 1 1083 . 1 1 111 111 GLN H H 1 7.30 0.015 . 1 . . . . 111 GLN HN . 6760 1 1084 . 1 1 111 111 GLN HA H 1 3.65 0.015 . 1 . . . . 111 GLN HA . 6760 1 1085 . 1 1 111 111 GLN HB2 H 1 1.01 0.015 . 2 . . . . 111 GLN HB2 . 6760 1 1086 . 1 1 111 111 GLN HB3 H 1 0.37 0.015 . 2 . . . . 111 GLN HB3 . 6760 1 1087 . 1 1 111 111 GLN HG2 H 1 1.26 0.015 . 2 . . . . 111 GLN HG2 . 6760 1 1088 . 1 1 111 111 GLN HG3 H 1 0.96 0.015 . 2 . . . . 111 GLN HG3 . 6760 1 1089 . 1 1 111 111 GLN CA C 13 58.6 0.15 . 1 . . . . 111 GLN CA . 6760 1 1090 . 1 1 111 111 GLN CB C 13 26.8 0.15 . 1 . . . . 111 GLN CB . 6760 1 1091 . 1 1 111 111 GLN CG C 13 32.6 0.15 . 1 . . . . 111 GLN CG . 6760 1 1092 . 1 1 111 111 GLN N N 15 119.8 0.15 . 1 . . . . 111 GLN N . 6760 1 1093 . 1 1 112 112 ALA H H 1 7.25 0.015 . 1 . . . . 112 ALA HN . 6760 1 1094 . 1 1 112 112 ALA HA H 1 3.72 0.015 . 1 . . . . 112 ALA HA . 6760 1 1095 . 1 1 112 112 ALA HB1 H 1 1.48 0.015 . 1 . . . . 112 ALA HB . 6760 1 1096 . 1 1 112 112 ALA HB2 H 1 1.48 0.015 . 1 . . . . 112 ALA HB . 6760 1 1097 . 1 1 112 112 ALA HB3 H 1 1.48 0.015 . 1 . . . . 112 ALA HB . 6760 1 1098 . 1 1 112 112 ALA CA C 13 55.9 0.15 . 1 . . . . 112 ALA CA . 6760 1 1099 . 1 1 112 112 ALA CB C 13 19.3 0.15 . 1 . . . . 112 ALA CB . 6760 1 1100 . 1 1 112 112 ALA N N 15 120.7 0.15 . 1 . . . . 112 ALA N . 6760 1 1101 . 1 1 113 113 TRP H H 1 8.45 0.015 . 1 . . . . 113 TRP HN . 6760 1 1102 . 1 1 113 113 TRP HA H 1 4.39 0.015 . 1 . . . . 113 TRP HA . 6760 1 1103 . 1 1 113 113 TRP HB2 H 1 3.42 0.015 . 2 . . . . 113 TRP HB2 . 6760 1 1104 . 1 1 113 113 TRP HB3 H 1 3.11 0.015 . 2 . . . . 113 TRP HB3 . 6760 1 1105 . 1 1 113 113 TRP HD1 H 1 6.53 0.015 . 1 . . . . 113 TRP HD1 . 6760 1 1106 . 1 1 113 113 TRP HE1 H 1 7.98 0.015 . 1 . . . . 113 TRP HE1 . 6760 1 1107 . 1 1 113 113 TRP HZ2 H 1 6.79 0.015 . 1 . . . . 113 TRP HZ2 . 6760 1 1108 . 1 1 113 113 TRP HZ3 H 1 6.38 0.015 . 1 . . . . 113 TRP HZ3 . 6760 1 1109 . 1 1 113 113 TRP HH2 H 1 7.14 0.015 . 1 . . . . 113 TRP HH2 . 6760 1 1110 . 1 1 113 113 TRP CA C 13 61.7 0.15 . 1 . . . . 113 TRP CA . 6760 1 1111 . 1 1 113 113 TRP CB C 13 29.2 0.15 . 1 . . . . 113 TRP CB . 6760 1 1112 . 1 1 113 113 TRP N N 15 116.0 0.15 . 1 . . . . 113 TRP N . 6760 1 1113 . 1 1 113 113 TRP NE1 N 15 124.3 0.15 . 1 . . . . 113 TRP NE1 . 6760 1 1114 . 1 1 114 114 ASP H H 1 8.30 0.015 . 1 . . . . 114 ASP HN . 6760 1 1115 . 1 1 114 114 ASP HA H 1 4.54 0.015 . 1 . . . . 114 ASP HA . 6760 1 1116 . 1 1 114 114 ASP HB2 H 1 2.63 0.015 . 2 . . . . 114 ASP HB2 . 6760 1 1117 . 1 1 114 114 ASP HB3 H 1 2.52 0.015 . 2 . . . . 114 ASP HB3 . 6760 1 1118 . 1 1 114 114 ASP CA C 13 57.9 0.15 . 1 . . . . 114 ASP CA . 6760 1 1119 . 1 1 114 114 ASP CB C 13 40.0 0.15 . 1 . . . . 114 ASP CB . 6760 1 1120 . 1 1 114 114 ASP N N 15 121.1 0.15 . 1 . . . . 114 ASP N . 6760 1 1121 . 1 1 115 115 LEU H H 1 6.93 0.015 . 1 . . . . 115 LEU HN . 6760 1 1122 . 1 1 115 115 LEU HA H 1 4.10 0.015 . 1 . . . . 115 LEU HA . 6760 1 1123 . 1 1 115 115 LEU HB2 H 1 1.14 0.015 . 2 . . . . 115 LEU HB2 . 6760 1 1124 . 1 1 115 115 LEU HB3 H 1 1.84 0.015 . 2 . . . . 115 LEU HB3 . 6760 1 1125 . 1 1 115 115 LEU HG H 1 1.56 0.015 . 1 . . . . 115 LEU HG . 6760 1 1126 . 1 1 115 115 LEU HD11 H 1 0.82 0.015 . 2 . . . . 115 LEU HD1 . 6760 1 1127 . 1 1 115 115 LEU HD12 H 1 0.82 0.015 . 2 . . . . 115 LEU HD1 . 6760 1 1128 . 1 1 115 115 LEU HD13 H 1 0.82 0.015 . 2 . . . . 115 LEU HD1 . 6760 1 1129 . 1 1 115 115 LEU HD21 H 1 0.92 0.015 . 2 . . . . 115 LEU HD2 . 6760 1 1130 . 1 1 115 115 LEU HD22 H 1 0.92 0.015 . 2 . . . . 115 LEU HD2 . 6760 1 1131 . 1 1 115 115 LEU HD23 H 1 0.92 0.015 . 2 . . . . 115 LEU HD2 . 6760 1 1132 . 1 1 115 115 LEU CA C 13 58.0 0.15 . 1 . . . . 115 LEU CA . 6760 1 1133 . 1 1 115 115 LEU CB C 13 42.9 0.15 . 1 . . . . 115 LEU CB . 6760 1 1134 . 1 1 115 115 LEU CG C 13 27.3 0.15 . 1 . . . . 115 LEU CG . 6760 1 1135 . 1 1 115 115 LEU CD1 C 13 23.2 0.15 . 1 . . . . 115 LEU CD1 . 6760 1 1136 . 1 1 115 115 LEU CD2 C 13 26.1 0.15 . 1 . . . . 115 LEU CD2 . 6760 1 1137 . 1 1 115 115 LEU N N 15 121.0 0.15 . 1 . . . . 115 LEU N . 6760 1 1138 . 1 1 116 116 TYR H H 1 8.77 0.015 . 1 . . . . 116 TYR HN . 6760 1 1139 . 1 1 116 116 TYR HA H 1 3.96 0.015 . 1 . . . . 116 TYR HA . 6760 1 1140 . 1 1 116 116 TYR HB2 H 1 2.48 0.015 . 2 . . . . 116 TYR HB2 . 6760 1 1141 . 1 1 116 116 TYR HB3 H 1 2.37 0.015 . 2 . . . . 116 TYR HB3 . 6760 1 1142 . 1 1 116 116 TYR HD1 H 1 7.14 0.015 . 1 . . . . 116 TYR HD1 . 6760 1 1143 . 1 1 116 116 TYR HD2 H 1 7.14 0.015 . 1 . . . . 116 TYR HD2 . 6760 1 1144 . 1 1 116 116 TYR HE1 H 1 7.02 0.015 . 1 . . . . 116 TYR HE1 . 6760 1 1145 . 1 1 116 116 TYR HE2 H 1 7.02 0.015 . 1 . . . . 116 TYR HE2 . 6760 1 1146 . 1 1 116 116 TYR CA C 13 61.2 0.15 . 1 . . . . 116 TYR CA . 6760 1 1147 . 1 1 116 116 TYR CB C 13 38.7 0.15 . 1 . . . . 116 TYR CB . 6760 1 1148 . 1 1 116 116 TYR N N 15 119.3 0.15 . 1 . . . . 116 TYR N . 6760 1 1149 . 1 1 117 117 TYR H H 1 9.54 0.015 . 1 . . . . 117 TYR HN . 6760 1 1150 . 1 1 117 117 TYR HA H 1 4.54 0.015 . 1 . . . . 117 TYR HA . 6760 1 1151 . 1 1 117 117 TYR HB2 H 1 3.02 0.015 . 2 . . . . 117 TYR HB2 . 6760 1 1152 . 1 1 117 117 TYR HB3 H 1 3.17 0.015 . 2 . . . . 117 TYR HB3 . 6760 1 1153 . 1 1 117 117 TYR HD1 H 1 7.17 0.015 . 1 . . . . 117 TYR HD1 . 6760 1 1154 . 1 1 117 117 TYR HD2 H 1 7.17 0.015 . 1 . . . . 117 TYR HD2 . 6760 1 1155 . 1 1 117 117 TYR HE1 H 1 6.56 0.015 . 1 . . . . 117 TYR HE1 . 6760 1 1156 . 1 1 117 117 TYR HE2 H 1 6.56 0.015 . 1 . . . . 117 TYR HE2 . 6760 1 1157 . 1 1 117 117 TYR CA C 13 61.1 0.15 . 1 . . . . 117 TYR CA . 6760 1 1158 . 1 1 117 117 TYR CB C 13 37.2 0.15 . 1 . . . . 117 TYR CB . 6760 1 1159 . 1 1 117 117 TYR N N 15 117.8 0.15 . 1 . . . . 117 TYR N . 6760 1 1160 . 1 1 118 118 HIS H H 1 7.62 0.015 . 1 . . . . 118 HIS HN . 6760 1 1161 . 1 1 118 118 HIS HA H 1 4.43 0.015 . 1 . . . . 118 HIS HA . 6760 1 1162 . 1 1 118 118 HIS HB2 H 1 3.45 0.015 . 2 . . . . 118 HIS HB2 . 6760 1 1163 . 1 1 118 118 HIS HB3 H 1 3.27 0.015 . 2 . . . . 118 HIS HB3 . 6760 1 1164 . 1 1 118 118 HIS CA C 13 59.6 0.15 . 1 . . . . 118 HIS CA . 6760 1 1165 . 1 1 118 118 HIS CB C 13 30.2 0.15 . 1 . . . . 118 HIS CB . 6760 1 1166 . 1 1 118 118 HIS N N 15 120.1 0.15 . 1 . . . . 118 HIS N . 6760 1 1167 . 1 1 119 119 VAL H H 1 7.82 0.015 . 1 . . . . 119 VAL HN . 6760 1 1168 . 1 1 119 119 VAL HA H 1 3.23 0.015 . 1 . . . . 119 VAL HA . 6760 1 1169 . 1 1 119 119 VAL HB H 1 2.12 0.015 . 1 . . . . 119 VAL HB . 6760 1 1170 . 1 1 119 119 VAL HG11 H 1 0.96 0.015 . 2 . . . . 119 VAL HG1 . 6760 1 1171 . 1 1 119 119 VAL HG12 H 1 0.96 0.015 . 2 . . . . 119 VAL HG1 . 6760 1 1172 . 1 1 119 119 VAL HG13 H 1 0.96 0.015 . 2 . . . . 119 VAL HG1 . 6760 1 1173 . 1 1 119 119 VAL HG21 H 1 0.27 0.015 . 2 . . . . 119 VAL HG2 . 6760 1 1174 . 1 1 119 119 VAL HG22 H 1 0.27 0.015 . 2 . . . . 119 VAL HG2 . 6760 1 1175 . 1 1 119 119 VAL HG23 H 1 0.27 0.015 . 2 . . . . 119 VAL HG2 . 6760 1 1176 . 1 1 119 119 VAL CA C 13 67.3 0.15 . 1 . . . . 119 VAL CA . 6760 1 1177 . 1 1 119 119 VAL CB C 13 31.5 0.15 . 1 . . . . 119 VAL CB . 6760 1 1178 . 1 1 119 119 VAL CG1 C 13 22.6 0.15 . 1 . . . . 119 VAL CG1 . 6760 1 1179 . 1 1 119 119 VAL CG2 C 13 19.9 0.15 . 1 . . . . 119 VAL CG2 . 6760 1 1180 . 1 1 119 119 VAL N N 15 119.4 0.15 . 1 . . . . 119 VAL N . 6760 1 1181 . 1 1 120 120 PHE H H 1 8.99 0.015 . 1 . . . . 120 PHE HN . 6760 1 1182 . 1 1 120 120 PHE HA H 1 3.93 0.015 . 1 . . . . 120 PHE HA . 6760 1 1183 . 1 1 120 120 PHE HB2 H 1 3.31 0.015 . 1 . . . . 120 PHE HB2 . 6760 1 1184 . 1 1 120 120 PHE HB3 H 1 3.31 0.015 . 1 . . . . 120 PHE HB3 . 6760 1 1185 . 1 1 120 120 PHE HD1 H 1 7.03 0.015 . 1 . . . . 120 PHE HD1 . 6760 1 1186 . 1 1 120 120 PHE HD2 H 1 7.03 0.015 . 1 . . . . 120 PHE HD2 . 6760 1 1187 . 1 1 120 120 PHE HE1 H 1 6.48 0.015 . 1 . . . . 120 PHE HE1 . 6760 1 1188 . 1 1 120 120 PHE HE2 H 1 6.48 0.015 . 1 . . . . 120 PHE HE2 . 6760 1 1189 . 1 1 120 120 PHE HZ H 1 7.25 0.015 . 1 . . . . 120 PHE HZ . 6760 1 1190 . 1 1 120 120 PHE CA C 13 61.1 0.15 . 1 . . . . 120 PHE CA . 6760 1 1191 . 1 1 120 120 PHE CB C 13 40.1 0.15 . 1 . . . . 120 PHE CB . 6760 1 1192 . 1 1 120 120 PHE N N 15 119.5 0.15 . 1 . . . . 120 PHE N . 6760 1 1193 . 1 1 121 121 ARG H H 1 8.67 0.015 . 1 . . . . 121 ARG HN . 6760 1 1194 . 1 1 121 121 ARG HA H 1 3.70 0.015 . 1 . . . . 121 ARG HA . 6760 1 1195 . 1 1 121 121 ARG HB2 H 1 1.71 0.015 . 2 . . . . 121 ARG HB2 . 6760 1 1196 . 1 1 121 121 ARG HB3 H 1 1.82 0.015 . 2 . . . . 121 ARG HB3 . 6760 1 1197 . 1 1 121 121 ARG HG2 H 1 1.50 0.015 . 1 . . . . 121 ARG HG2 . 6760 1 1198 . 1 1 121 121 ARG HG3 H 1 1.50 0.015 . 1 . . . . 121 ARG HG3 . 6760 1 1199 . 1 1 121 121 ARG HD2 H 1 3.08 0.015 . 1 . . . . 121 ARG HD2 . 6760 1 1200 . 1 1 121 121 ARG HD3 H 1 3.08 0.015 . 1 . . . . 121 ARG HD3 . 6760 1 1201 . 1 1 121 121 ARG CA C 13 59.2 0.15 . 1 . . . . 121 ARG CA . 6760 1 1202 . 1 1 121 121 ARG CB C 13 30.2 0.15 . 1 . . . . 121 ARG CB . 6760 1 1203 . 1 1 121 121 ARG CG C 13 27.9 0.15 . 1 . . . . 121 ARG CG . 6760 1 1204 . 1 1 121 121 ARG CD C 13 43.4 0.15 . 1 . . . . 121 ARG CD . 6760 1 1205 . 1 1 121 121 ARG N N 15 117.3 0.15 . 1 . . . . 121 ARG N . 6760 1 1206 . 1 1 122 122 ARG H H 1 7.30 0.015 . 1 . . . . 122 ARG HN . 6760 1 1207 . 1 1 122 122 ARG HA H 1 4.04 0.015 . 1 . . . . 122 ARG HA . 6760 1 1208 . 1 1 122 122 ARG HB2 H 1 2.10 0.015 . 2 . . . . 122 ARG HB2 . 6760 1 1209 . 1 1 122 122 ARG HB3 H 1 1.83 0.015 . 2 . . . . 122 ARG HB3 . 6760 1 1210 . 1 1 122 122 ARG HG2 H 1 1.64 0.015 . 1 . . . . 122 ARG HG2 . 6760 1 1211 . 1 1 122 122 ARG HG3 H 1 1.64 0.015 . 1 . . . . 122 ARG HG3 . 6760 1 1212 . 1 1 122 122 ARG HD2 H 1 1.55 0.015 . 2 . . . . 122 ARG HD2 . 6760 1 1213 . 1 1 122 122 ARG HD3 H 1 1.69 0.015 . 2 . . . . 122 ARG HD3 . 6760 1 1214 . 1 1 122 122 ARG CA C 13 58.7 0.15 . 1 . . . . 122 ARG CA . 6760 1 1215 . 1 1 122 122 ARG CB C 13 30.8 0.15 . 1 . . . . 122 ARG CB . 6760 1 1216 . 1 1 122 122 ARG CG C 13 27.2 0.15 . 1 . . . . 122 ARG CG . 6760 1 1217 . 1 1 122 122 ARG CD C 13 41.4 0.15 . 1 . . . . 122 ARG CD . 6760 1 1218 . 1 1 122 122 ARG N N 15 118.0 0.15 . 1 . . . . 122 ARG N . 6760 1 1219 . 1 1 123 123 ILE H H 1 7.94 0.015 . 1 . . . . 123 ILE HN . 6760 1 1220 . 1 1 123 123 ILE HA H 1 4.06 0.015 . 1 . . . . 123 ILE HA . 6760 1 1221 . 1 1 123 123 ILE HB H 1 1.85 0.015 . 1 . . . . 123 ILE HB . 6760 1 1222 . 1 1 123 123 ILE HG12 H 1 1.12 0.015 . 2 . . . . 123 ILE HG12 . 6760 1 1223 . 1 1 123 123 ILE HG13 H 1 1.27 0.015 . 2 . . . . 123 ILE HG13 . 6760 1 1224 . 1 1 123 123 ILE HG21 H 1 0.62 0.015 . 1 . . . . 123 ILE HG2 . 6760 1 1225 . 1 1 123 123 ILE HG22 H 1 0.62 0.015 . 1 . . . . 123 ILE HG2 . 6760 1 1226 . 1 1 123 123 ILE HG23 H 1 0.62 0.015 . 1 . . . . 123 ILE HG2 . 6760 1 1227 . 1 1 123 123 ILE HD11 H 1 0.80 0.015 . 1 . . . . 123 ILE HD1 . 6760 1 1228 . 1 1 123 123 ILE HD12 H 1 0.80 0.015 . 1 . . . . 123 ILE HD1 . 6760 1 1229 . 1 1 123 123 ILE HD13 H 1 0.80 0.015 . 1 . . . . 123 ILE HD1 . 6760 1 1230 . 1 1 123 123 ILE CA C 13 63.6 0.15 . 1 . . . . 123 ILE CA . 6760 1 1231 . 1 1 123 123 ILE CB C 13 38.3 0.15 . 1 . . . . 123 ILE CB . 6760 1 1232 . 1 1 123 123 ILE CG2 C 13 17.2 0.15 . 1 . . . . 123 ILE CG2 . 6760 1 1233 . 1 1 123 123 ILE CD1 C 13 14.4 0.15 . 1 . . . . 123 ILE CD1 . 6760 1 1234 . 1 1 123 123 ILE N N 15 115.6 0.15 . 1 . . . . 123 ILE N . 6760 1 1235 . 1 1 124 124 SER H H 1 7.49 0.015 . 1 . . . . 124 SER HN . 6760 1 1236 . 1 1 124 124 SER HA H 1 4.07 0.015 . 1 . . . . 124 SER HA . 6760 1 1237 . 1 1 124 124 SER HB2 H 1 3.61 0.015 . 2 . . . . 124 SER HB2 . 6760 1 1238 . 1 1 124 124 SER HB3 H 1 3.42 0.015 . 2 . . . . 124 SER HB3 . 6760 1 1239 . 1 1 124 124 SER CA C 13 59.3 0.15 . 1 . . . . 124 SER CA . 6760 1 1240 . 1 1 124 124 SER CB C 13 63.8 0.15 . 1 . . . . 124 SER CB . 6760 1 1241 . 1 1 124 124 SER N N 15 115.3 0.15 . 1 . . . . 124 SER N . 6760 1 1242 . 1 1 125 125 LYS H H 1 7.58 0.015 . 1 . . . . 125 LYS HN . 6760 1 1243 . 1 1 125 125 LYS HA H 1 4.16 0.015 . 1 . . . . 125 LYS HA . 6760 1 1244 . 1 1 125 125 LYS HB2 H 1 1.78 0.015 . 2 . . . . 125 LYS HB2 . 6760 1 1245 . 1 1 125 125 LYS HB3 H 1 1.67 0.015 . 2 . . . . 125 LYS HB3 . 6760 1 1246 . 1 1 125 125 LYS HG2 H 1 1.32 0.015 . 1 . . . . 125 LYS HG2 . 6760 1 1247 . 1 1 125 125 LYS HG3 H 1 1.32 0.015 . 1 . . . . 125 LYS HG3 . 6760 1 1248 . 1 1 125 125 LYS HD2 H 1 1.56 0.015 . 1 . . . . 125 LYS HD2 . 6760 1 1249 . 1 1 125 125 LYS HD3 H 1 1.56 0.015 . 1 . . . . 125 LYS HD3 . 6760 1 1250 . 1 1 125 125 LYS HE2 H 1 2.87 0.015 . 1 . . . . 125 LYS HE2 . 6760 1 1251 . 1 1 125 125 LYS HE3 H 1 2.87 0.015 . 1 . . . . 125 LYS HE3 . 6760 1 1252 . 1 1 125 125 LYS CA C 13 56.5 0.15 . 1 . . . . 125 LYS CA . 6760 1 1253 . 1 1 125 125 LYS CB C 13 32.4 0.15 . 1 . . . . 125 LYS CB . 6760 1 1254 . 1 1 125 125 LYS CG C 13 24.6 0.15 . 1 . . . . 125 LYS CG . 6760 1 1255 . 1 1 125 125 LYS CD C 13 28.9 0.15 . 1 . . . . 125 LYS CD . 6760 1 1256 . 1 1 125 125 LYS CE C 13 42.1 0.15 . 1 . . . . 125 LYS CE . 6760 1 1257 . 1 1 125 125 LYS N N 15 121.8 0.15 . 1 . . . . 125 LYS N . 6760 1 1258 . 1 1 126 126 GLN H H 1 7.79 0.015 . 1 . . . . 126 GLN HN . 6760 1 1259 . 1 1 126 126 GLN HA H 1 4.03 0.015 . 1 . . . . 126 GLN HA . 6760 1 1260 . 1 1 126 126 GLN HB2 H 1 2.00 0.015 . 2 . . . . 126 GLN HB2 . 6760 1 1261 . 1 1 126 126 GLN HB3 H 1 1.81 0.015 . 2 . . . . 126 GLN HB3 . 6760 1 1262 . 1 1 126 126 GLN HG2 H 1 2.20 0.015 . 1 . . . . 126 GLN HG2 . 6760 1 1263 . 1 1 126 126 GLN HG3 H 1 2.20 0.015 . 1 . . . . 126 GLN HG3 . 6760 1 1264 . 1 1 126 126 GLN CA C 13 57.5 0.15 . 1 . . . . 126 GLN CA . 6760 1 1265 . 1 1 126 126 GLN CB C 13 30.3 0.15 . 1 . . . . 126 GLN CB . 6760 1 1266 . 1 1 126 126 GLN CG C 13 34.3 0.15 . 1 . . . . 126 GLN CG . 6760 1 1267 . 1 1 126 126 GLN N N 15 126.5 0.15 . 1 . . . . 126 GLN N . 6760 1 stop_ save_