data_15896 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15896 _Entry.Title ; Solution structures of copper loaded form PCuA (trans conformation of the peptide bond involving the nitrogen of P14) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-28 _Entry.Accession_date 2008-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lucia Banci . . . 15896 2 Ivano Bertini . . . 15896 3 Simone Ciofi-Baffoni . . . 15896 4 Shenlin Wang . . . 15896 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE2-complexes 'Structural Proteomics in Europe' . 15896 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'copper transfer protein' . 15896 PCuA . 15896 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15896 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 15896 '15N chemical shifts' 107 15896 '1H chemical shifts' 844 15896 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 . . 2010-05-27 2008-07-28 update BMRB 'update entity/assembly name' 15896 1 . . 2008-11-14 2008-07-28 original author 'original release' 15896 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15894 'assignment of apo form (trans-P14)' 15896 BMRB 15895 'assignment of apo form (cis-P14)' 15896 BMRB 15897 'assignment of copper form (cis-P14)' 15896 PDB 2k6w 'structure of apo form (trans-P14)' 15896 PDB 2k6y 'structure of apo form (cis-P14)' 15896 PDB 2K6Z 'BMRB Entry Tracking System' 15896 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15896 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18758441 _Citation.Full_citation . _Citation.Title 'Mechanism of Cu(A) assembly.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chemical Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 10 _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 599 _Citation.Page_last 601 _Citation.Year 2008 _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 Luciano Abriata . A. . 15896 1 2 Lucia Banci . . . 15896 1 3 Ivano Bertini . . . 15896 1 4 Simone Ciofi-Baffoni . . . 15896 1 5 Petros Gkazonis . . . 15896 1 6 Georgios Spyroulias . A. . 15896 1 7 Alejandro Vila . J. . 15896 1 8 Shenlin Wang . . . 15896 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15896 _Assembly.ID 1 _Assembly.Name 'copper loaded form PCuA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PCuA 1 $entity_1 A . yes native no no . . . 15896 1 2 'COPPER (II) ION' 2 $CU B . no native no no . . . 15896 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15896 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PCuA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSFTEGWVRFSPGPNAAAYL TLENPGDLPLRLVGARTPVA ERVELHETFMREVEGKKVMG MRPVPFLEVPPKGRVELKPG GYHFMLLGLKRPLKAGEEVE LDLLFAGGKVLKVVLPVEAR ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13222.670 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15894 . "CuA center" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 2 no BMRB 15895 . "apo form PCuA" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 3 no BMRB 15897 . PCuA . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 4 no PDB 2K6W . "Solution Structures Of Apo Pcua (Trans Conformation Of The Peptide Bond Involving The Nitrogen Of P14)" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 5 no PDB 2K6Y . "Solution Structures Of Apo Form Pcua (Cis Conformation Of The Peptide Bond Involving The Nitrogen Of P14)" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 6 no PDB 2K6Z . "Solution Structures Of Copper Loaded Form Pcua (Trans Conformation Of The Peptide Bond Involving The Nitrogen Of P14)" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 7 no PDB 2K70 . "Solution Structures Of Copper Loaded Form Pcua (Cis Conformation Of The Peptide Bond Involving The Nitrogen Of P14)" . . . . . 100.00 120 100.00 100.00 5.45e-76 . . . . 15896 1 8 no DBJ BAD71766 . "conserved hypothetical protein [Thermus thermophilus HB8]" . . . . . 96.67 136 100.00 100.00 8.49e-73 . . . . 15896 1 9 no GB AAS81922 . "transporter [Thermus thermophilus HB27]" . . . . . 96.67 136 98.28 100.00 1.10e-71 . . . . 15896 1 10 no GB AEG34334 . "protein of unknown function DUF461 [Thermus thermophilus SG0.5JP17-16]" . . . . . 96.67 136 98.28 100.00 8.21e-72 . . . . 15896 1 11 no GB AFH39883 . "hypothetical protein TtJL18_2031 [Thermus thermophilus JL-18]" . . . . . 96.67 136 99.14 99.14 9.25e-72 . . . . 15896 1 12 no REF WP_011173952 . "transporter [Thermus thermophilus]" . . . . . 96.67 136 98.28 100.00 1.10e-71 . . . . 15896 1 13 no REF WP_011229034 . "transporter [Thermus thermophilus]" . . . . . 96.67 136 100.00 100.00 8.49e-73 . . . . 15896 1 14 no REF WP_014510965 . "transporter [Thermus thermophilus]" . . . . . 96.67 136 98.28 100.00 8.21e-72 . . . . 15896 1 15 no REF WP_014630387 . "transporter [Thermus thermophilus]" . . . . . 96.67 136 99.14 99.14 9.25e-72 . . . . 15896 1 16 no REF YP_145209 . "hypothetical protein TTHA1943 [Thermus thermophilus HB8]" . . . . . 96.67 136 100.00 100.00 8.49e-73 . . . . 15896 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 . GLY . 15896 1 2 . SER . 15896 1 3 . PHE . 15896 1 4 . THR . 15896 1 5 . GLU . 15896 1 6 . GLY . 15896 1 7 . TRP . 15896 1 8 . VAL . 15896 1 9 . ARG . 15896 1 10 . PHE . 15896 1 11 . SER . 15896 1 12 . PRO . 15896 1 13 . GLY . 15896 1 14 . PRO . 15896 1 15 . ASN . 15896 1 16 . ALA . 15896 1 17 . ALA . 15896 1 18 . ALA . 15896 1 19 . TYR . 15896 1 20 . LEU . 15896 1 21 . THR . 15896 1 22 . LEU . 15896 1 23 . GLU . 15896 1 24 . ASN . 15896 1 25 . PRO . 15896 1 26 . GLY . 15896 1 27 . ASP . 15896 1 28 . LEU . 15896 1 29 . PRO . 15896 1 30 . LEU . 15896 1 31 . ARG . 15896 1 32 . LEU . 15896 1 33 . VAL . 15896 1 34 . GLY . 15896 1 35 . ALA . 15896 1 36 . ARG . 15896 1 37 . THR . 15896 1 38 . PRO . 15896 1 39 . VAL . 15896 1 40 . ALA . 15896 1 41 . GLU . 15896 1 42 . ARG . 15896 1 43 . VAL . 15896 1 44 . GLU . 15896 1 45 . LEU . 15896 1 46 . HIS . 15896 1 47 . GLU . 15896 1 48 . THR . 15896 1 49 . PHE . 15896 1 50 . MET . 15896 1 51 . ARG . 15896 1 52 . GLU . 15896 1 53 . VAL . 15896 1 54 . GLU . 15896 1 55 . GLY . 15896 1 56 . LYS . 15896 1 57 . LYS . 15896 1 58 . VAL . 15896 1 59 . MET . 15896 1 60 . GLY . 15896 1 61 . MET . 15896 1 62 . ARG . 15896 1 63 . PRO . 15896 1 64 . VAL . 15896 1 65 . PRO . 15896 1 66 . PHE . 15896 1 67 . LEU . 15896 1 68 . GLU . 15896 1 69 . VAL . 15896 1 70 . PRO . 15896 1 71 . PRO . 15896 1 72 . LYS . 15896 1 73 . GLY . 15896 1 74 . ARG . 15896 1 75 . VAL . 15896 1 76 . GLU . 15896 1 77 . LEU . 15896 1 78 . LYS . 15896 1 79 . PRO . 15896 1 80 . GLY . 15896 1 81 . GLY . 15896 1 82 . TYR . 15896 1 83 . HIS . 15896 1 84 . PHE . 15896 1 85 . MET . 15896 1 86 . LEU . 15896 1 87 . LEU . 15896 1 88 . GLY . 15896 1 89 . LEU . 15896 1 90 . LYS . 15896 1 91 . ARG . 15896 1 92 . PRO . 15896 1 93 . LEU . 15896 1 94 . LYS . 15896 1 95 . ALA . 15896 1 96 . GLY . 15896 1 97 . GLU . 15896 1 98 . GLU . 15896 1 99 . VAL . 15896 1 100 . GLU . 15896 1 101 . LEU . 15896 1 102 . ASP . 15896 1 103 . LEU . 15896 1 104 . LEU . 15896 1 105 . PHE . 15896 1 106 . ALA . 15896 1 107 . GLY . 15896 1 108 . GLY . 15896 1 109 . LYS . 15896 1 110 . VAL . 15896 1 111 . LEU . 15896 1 112 . LYS . 15896 1 113 . VAL . 15896 1 114 . VAL . 15896 1 115 . LEU . 15896 1 116 . PRO . 15896 1 117 . VAL . 15896 1 118 . GLU . 15896 1 119 . ALA . 15896 1 120 . ARG . 15896 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15896 1 . SER 2 2 15896 1 . PHE 3 3 15896 1 . THR 4 4 15896 1 . GLU 5 5 15896 1 . GLY 6 6 15896 1 . TRP 7 7 15896 1 . VAL 8 8 15896 1 . ARG 9 9 15896 1 . PHE 10 10 15896 1 . SER 11 11 15896 1 . PRO 12 12 15896 1 . GLY 13 13 15896 1 . PRO 14 14 15896 1 . ASN 15 15 15896 1 . ALA 16 16 15896 1 . ALA 17 17 15896 1 . ALA 18 18 15896 1 . TYR 19 19 15896 1 . LEU 20 20 15896 1 . THR 21 21 15896 1 . LEU 22 22 15896 1 . GLU 23 23 15896 1 . ASN 24 24 15896 1 . PRO 25 25 15896 1 . GLY 26 26 15896 1 . ASP 27 27 15896 1 . LEU 28 28 15896 1 . PRO 29 29 15896 1 . LEU 30 30 15896 1 . ARG 31 31 15896 1 . LEU 32 32 15896 1 . VAL 33 33 15896 1 . GLY 34 34 15896 1 . ALA 35 35 15896 1 . ARG 36 36 15896 1 . THR 37 37 15896 1 . PRO 38 38 15896 1 . VAL 39 39 15896 1 . ALA 40 40 15896 1 . GLU 41 41 15896 1 . ARG 42 42 15896 1 . VAL 43 43 15896 1 . GLU 44 44 15896 1 . LEU 45 45 15896 1 . HIS 46 46 15896 1 . GLU 47 47 15896 1 . THR 48 48 15896 1 . PHE 49 49 15896 1 . MET 50 50 15896 1 . ARG 51 51 15896 1 . GLU 52 52 15896 1 . VAL 53 53 15896 1 . GLU 54 54 15896 1 . GLY 55 55 15896 1 . LYS 56 56 15896 1 . LYS 57 57 15896 1 . VAL 58 58 15896 1 . MET 59 59 15896 1 . GLY 60 60 15896 1 . MET 61 61 15896 1 . ARG 62 62 15896 1 . PRO 63 63 15896 1 . VAL 64 64 15896 1 . PRO 65 65 15896 1 . PHE 66 66 15896 1 . LEU 67 67 15896 1 . GLU 68 68 15896 1 . VAL 69 69 15896 1 . PRO 70 70 15896 1 . PRO 71 71 15896 1 . LYS 72 72 15896 1 . GLY 73 73 15896 1 . ARG 74 74 15896 1 . VAL 75 75 15896 1 . GLU 76 76 15896 1 . LEU 77 77 15896 1 . LYS 78 78 15896 1 . PRO 79 79 15896 1 . GLY 80 80 15896 1 . GLY 81 81 15896 1 . TYR 82 82 15896 1 . HIS 83 83 15896 1 . PHE 84 84 15896 1 . MET 85 85 15896 1 . LEU 86 86 15896 1 . LEU 87 87 15896 1 . GLY 88 88 15896 1 . LEU 89 89 15896 1 . LYS 90 90 15896 1 . ARG 91 91 15896 1 . PRO 92 92 15896 1 . LEU 93 93 15896 1 . LYS 94 94 15896 1 . ALA 95 95 15896 1 . GLY 96 96 15896 1 . GLU 97 97 15896 1 . GLU 98 98 15896 1 . VAL 99 99 15896 1 . GLU 100 100 15896 1 . LEU 101 101 15896 1 . ASP 102 102 15896 1 . LEU 103 103 15896 1 . LEU 104 104 15896 1 . PHE 105 105 15896 1 . ALA 106 106 15896 1 . GLY 107 107 15896 1 . GLY 108 108 15896 1 . LYS 109 109 15896 1 . VAL 110 110 15896 1 . LEU 111 111 15896 1 . LYS 112 112 15896 1 . VAL 113 113 15896 1 . VAL 114 114 15896 1 . LEU 115 115 15896 1 . PRO 116 116 15896 1 . VAL 117 117 15896 1 . GLU 118 118 15896 1 . ALA 119 119 15896 1 . ARG 120 120 15896 1 stop_ save_ save_CU _Entity.Sf_category entity _Entity.Sf_framecode CU _Entity.Entry_ID 15896 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CU _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CU _Entity.Nonpolymer_comp_label $chem_comp_CU _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CU . 15896 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15896 _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 $entity_1 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . TTHA1943 . . . . 15896 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 15896 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21-Glod . . . . . . 15896 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU _Chem_comp.Entry_ID 15896 _Chem_comp.ID CU _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (II) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CU _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:28:40 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Cu++] SMILES CACTVS 3.341 15896 CU [Cu++] SMILES_CANONICAL CACTVS 3.341 15896 CU [Cu+2] SMILES ACDLabs 10.04 15896 CU [Cu+2] SMILES 'OpenEye OEToolkits' 1.5.0 15896 CU [Cu+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15896 CU InChI=1/Cu/q+2 InChI InChI 1.01 15896 CU stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID copper(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 15896 CU 'copper(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15896 CU stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CU . CU . . CU . N . 2 . . . . no no . . . . . . . . . . . . . . . 15896 CU stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15896 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 15896 1 2 D2O '[U-99.9% 2H]' . . . . . . 10 . . % . . . . 15896 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15896 1 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 15896 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15896 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 15896 2 2 D2O '[U-99.9% 2H]' . . . . . . 10 . . % . . . . 15896 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15896 2 4 Pi 'natural abundance' . . . . . . 50 . . mM . . . . 15896 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15896 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15896 1 pH 7.2 . pH 15896 1 pressure 1 . atm 15896 1 temperature 298 . K 15896 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15896 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15896 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15896 1 'data analysis' 15896 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15896 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15896 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15896 2 'peak picking' 15896 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15896 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15896 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15896 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15896 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15896 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15896 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15896 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15896 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15896 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15896 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 15896 1 2 spectrometer_2 Bruker Avance . 500 . . . 15896 1 3 spectrometer_3 Bruker Avance . 400 . . . 15896 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15896 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15896 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15896 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15896 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15896 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15896 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15896 1 12 '15N R1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15896 1 13 '15N R2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15896 1 14 '1H-15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15896 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15896 _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 dioxane 'methyl carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 15896 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15896 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15896 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15896 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15896 1 2 '2D 1H-13C HSQC' . . . 15896 1 3 '3D CBCA(CO)NH' . . . 15896 1 4 '3D HNCO' . . . 15896 1 5 '3D HNCA' . . . 15896 1 6 '3D HNCACB' . . . 15896 1 7 '3D HCCH-TOCSY' . . . 15896 1 8 '3D HBHA(CO)NH' . . . 15896 1 9 '3D 1H-15N NOESY' . . . 15896 1 10 '3D 1H-13C NOESY' . . . 15896 1 11 '2D 1H-1H NOESY' . . . 15896 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15896 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.422 0.01 . 1 . . . . 2 s HA . 15896 1 2 . 1 1 2 2 SER HB2 H 1 3.677 0.01 . 2 . . . . 2 s QB . 15896 1 3 . 1 1 2 2 SER HB3 H 1 3.677 0.01 . 2 . . . . 2 s QB . 15896 1 4 . 1 1 2 2 SER CA C 13 57.394 0.2 . 1 . . . . 2 s CA . 15896 1 5 . 1 1 2 2 SER CB C 13 63.157 0.2 . 1 . . . . 2 s CB . 15896 1 6 . 1 1 3 3 PHE H H 1 8.357 0.01 . 1 . . . . 3 f HN . 15896 1 7 . 1 1 3 3 PHE HA H 1 4.758 0.01 . 1 . . . . 3 f HA . 15896 1 8 . 1 1 3 3 PHE HB2 H 1 3.164 0.01 . 2 . . . . 3 f HB2 . 15896 1 9 . 1 1 3 3 PHE HB3 H 1 2.999 0.01 . 2 . . . . 3 f HB3 . 15896 1 10 . 1 1 3 3 PHE HD1 H 1 7.247 0.01 . 3 . . . . 3 f QD . 15896 1 11 . 1 1 3 3 PHE HD2 H 1 7.247 0.01 . 3 . . . . 3 f QD . 15896 1 12 . 1 1 3 3 PHE C C 13 174.603 0.2 . 1 . . . . 3 f C . 15896 1 13 . 1 1 3 3 PHE CA C 13 56.757 0.2 . 1 . . . . 3 f CA . 15896 1 14 . 1 1 3 3 PHE CB C 13 39.006 0.2 . 1 . . . . 3 f CB . 15896 1 15 . 1 1 3 3 PHE N N 15 121.52 0.2 . 1 . . . . 3 f N . 15896 1 16 . 1 1 4 4 THR H H 1 8.11 0.01 . 1 . . . . 4 t HN . 15896 1 17 . 1 1 4 4 THR HA H 1 4.519 0.01 . 1 . . . . 4 t HA . 15896 1 18 . 1 1 4 4 THR HB H 1 4.118 0.01 . 1 . . . . 4 t HB . 15896 1 19 . 1 1 4 4 THR HG21 H 1 1.137 0.01 . . . . . . 4 t QG2 . 15896 1 20 . 1 1 4 4 THR HG22 H 1 1.137 0.01 . . . . . . 4 t QG2 . 15896 1 21 . 1 1 4 4 THR HG23 H 1 1.137 0.01 . . . . . . 4 t QG2 . 15896 1 22 . 1 1 4 4 THR C C 13 173.01 0.2 . 1 . . . . 4 t C . 15896 1 23 . 1 1 4 4 THR CA C 13 60.693 0.2 . 1 . . . . 4 t CA . 15896 1 24 . 1 1 4 4 THR CB C 13 69.625 0.2 . 1 . . . . 4 t CB . 15896 1 25 . 1 1 4 4 THR CG2 C 13 20.863 0.2 . 1 . . . . 4 t CG2 . 15896 1 26 . 1 1 4 4 THR N N 15 115.356 0.2 . 1 . . . . 4 t N . 15896 1 27 . 1 1 5 5 GLU H H 1 8.293 0.01 . 1 . . . . 5 e HN . 15896 1 28 . 1 1 5 5 GLU C C 13 174.957 0.2 . 1 . . . . 5 e C . 15896 1 29 . 1 1 5 5 GLU CA C 13 54.562 0.2 . 1 . . . . 5 e CA . 15896 1 30 . 1 1 5 5 GLU CB C 13 29.144 0.2 . 1 . . . . 5 e CB . 15896 1 31 . 1 1 5 5 GLU N N 15 121.362 0.2 . 1 . . . . 5 e N . 15896 1 32 . 1 1 6 6 GLY H H 1 8.119 0.01 . 1 . . . . 6 g HN . 15896 1 33 . 1 1 6 6 GLY HA2 H 1 4.563 0.01 . . . . . . 6 g HA1 . 15896 1 34 . 1 1 6 6 GLY HA3 H 1 4.494 0.01 . 2 . . . . 6 g HA2 . 15896 1 35 . 1 1 6 6 GLY C C 13 171.696 0.2 . 1 . . . . 6 g C . 15896 1 36 . 1 1 6 6 GLY CA C 13 45.814 0.2 . 1 . . . . 6 g CA . 15896 1 37 . 1 1 6 6 GLY N N 15 109.428 0.2 . 1 . . . . 6 g N . 15896 1 38 . 1 1 7 7 TRP H H 1 9.022 0.01 . 1 . . . . 7 w HN . 15896 1 39 . 1 1 7 7 TRP HA H 1 5.148 0.01 . 1 . . . . 7 w HA . 15896 1 40 . 1 1 7 7 TRP HB2 H 1 3.608 0.01 . 2 . . . . 7 w HB2 . 15896 1 41 . 1 1 7 7 TRP HB3 H 1 3.219 0.01 . 2 . . . . 7 w HB3 . 15896 1 42 . 1 1 7 7 TRP HD1 H 1 7.103 0.01 . 1 . . . . 7 w HD1 . 15896 1 43 . 1 1 7 7 TRP HE1 H 1 10.038 0.01 . 1 . . . . 7 w HE1 . 15896 1 44 . 1 1 7 7 TRP HE3 H 1 7.364 0.01 . 1 . . . . 7 w HE3 . 15896 1 45 . 1 1 7 7 TRP HH2 H 1 6.697 0.01 . 1 . . . . 7 w HH2 . 15896 1 46 . 1 1 7 7 TRP HZ2 H 1 6.898 0.01 . 1 . . . . 7 w HZ2 . 15896 1 47 . 1 1 7 7 TRP HZ3 H 1 6.959 0.01 . 1 . . . . 7 w HZ3 . 15896 1 48 . 1 1 7 7 TRP C C 13 171.497 0.2 . 1 . . . . 7 w C . 15896 1 49 . 1 1 7 7 TRP CA C 13 57.219 0.2 . 1 . . . . 7 w CA . 15896 1 50 . 1 1 7 7 TRP CB C 13 30.759 0.2 . 1 . . . . 7 w CB . 15896 1 51 . 1 1 7 7 TRP CD1 C 13 126.597 0.2 . 1 . . . . 7 w CD1 . 15896 1 52 . 1 1 7 7 TRP CE3 C 13 120.525 0.2 . 1 . . . . 7 w CE3 . 15896 1 53 . 1 1 7 7 TRP N N 15 119.256 0.2 . 1 . . . . 7 w N . 15896 1 54 . 1 1 7 7 TRP NE1 N 15 129.951 0.2 . 1 . . . . 7 w NE1 . 15896 1 55 . 1 1 8 8 VAL H H 1 9.057 0.01 . 1 . . . . 8 v HN . 15896 1 56 . 1 1 8 8 VAL HA H 1 4.149 0.01 . 1 . . . . 8 v HA . 15896 1 57 . 1 1 8 8 VAL HB H 1 1.781 0.01 . 1 . . . . 8 v HB . 15896 1 58 . 1 1 8 8 VAL HG11 H 1 0.632 0.01 . . . . . . 8 v QG1 . 15896 1 59 . 1 1 8 8 VAL HG12 H 1 0.632 0.01 . . . . . . 8 v QG1 . 15896 1 60 . 1 1 8 8 VAL HG13 H 1 0.632 0.01 . . . . . . 8 v QG1 . 15896 1 61 . 1 1 8 8 VAL HG21 H 1 0.605 0.01 . . . . . . 8 v QG2 . 15896 1 62 . 1 1 8 8 VAL HG22 H 1 0.605 0.01 . . . . . . 8 v QG2 . 15896 1 63 . 1 1 8 8 VAL HG23 H 1 0.605 0.01 . . . . . . 8 v QG2 . 15896 1 64 . 1 1 8 8 VAL C C 13 174.76 0.2 . 1 . . . . 8 v C . 15896 1 65 . 1 1 8 8 VAL CA C 13 59.868 0.2 . 1 . . . . 8 v CA . 15896 1 66 . 1 1 8 8 VAL CB C 13 32.663 0.2 . 1 . . . . 8 v CB . 15896 1 67 . 1 1 8 8 VAL CG1 C 13 20.22 0.2 . 2 . . . . 8 v CG1 . 15896 1 68 . 1 1 8 8 VAL CG2 C 13 20.497 0.2 . 2 . . . . 8 v CG2 . 15896 1 69 . 1 1 8 8 VAL N N 15 119.94 0.2 . 1 . . . . 8 v N . 15896 1 70 . 1 1 9 9 ARG H H 1 8.529 0.01 . 1 . . . . 9 r HN . 15896 1 71 . 1 1 9 9 ARG HA H 1 5.043 0.01 . 1 . . . . 9 r HA . 15896 1 72 . 1 1 9 9 ARG HB2 H 1 2.17 0.01 . 2 . . . . 9 r QB . 15896 1 73 . 1 1 9 9 ARG HB3 H 1 2.17 0.01 . 2 . . . . 9 r QB . 15896 1 74 . 1 1 9 9 ARG HD2 H 1 3.202 0.01 . 2 . . . . 9 r HD2 . 15896 1 75 . 1 1 9 9 ARG HD3 H 1 3.379 0.01 . 2 . . . . 9 r HD3 . 15896 1 76 . 1 1 9 9 ARG HG2 H 1 1.98 0.01 . 2 . . . . 9 r QG . 15896 1 77 . 1 1 9 9 ARG HG3 H 1 1.98 0.01 . 2 . . . . 9 r QG . 15896 1 78 . 1 1 9 9 ARG C C 13 175.358 0.2 . 1 . . . . 9 r C . 15896 1 79 . 1 1 9 9 ARG CA C 13 55.604 0.2 . 1 . . . . 9 r CA . 15896 1 80 . 1 1 9 9 ARG CB C 13 30.882 0.2 . 1 . . . . 9 r CB . 15896 1 81 . 1 1 9 9 ARG CD C 13 43.425 0.2 . 1 . . . . 9 r CD . 15896 1 82 . 1 1 9 9 ARG CG C 13 25.374 0.2 . 1 . . . . 9 r CG . 15896 1 83 . 1 1 9 9 ARG N N 15 129.62 0.2 . 1 . . . . 9 r N . 15896 1 84 . 1 1 10 10 PHE H H 1 8.547 0.01 . 1 . . . . 10 f HN . 15896 1 85 . 1 1 10 10 PHE HA H 1 4.153 0.01 . 1 . . . . 10 f HA . 15896 1 86 . 1 1 10 10 PHE HB2 H 1 2.685 0.01 . 2 . . . . 10 f HB2 . 15896 1 87 . 1 1 10 10 PHE HB3 H 1 2.734 0.01 . 2 . . . . 10 f HB3 . 15896 1 88 . 1 1 10 10 PHE HD1 H 1 6.929 0.01 . 3 . . . . 10 f QD . 15896 1 89 . 1 1 10 10 PHE HD2 H 1 6.929 0.01 . 3 . . . . 10 f QD . 15896 1 90 . 1 1 10 10 PHE HE1 H 1 7.095 0.01 . 3 . . . . 10 f QE . 15896 1 91 . 1 1 10 10 PHE HE2 H 1 7.095 0.01 . 3 . . . . 10 f QE . 15896 1 92 . 1 1 10 10 PHE C C 13 172.391 0.2 . 1 . . . . 10 f C . 15896 1 93 . 1 1 10 10 PHE CA C 13 58.203 0.2 . 1 . . . . 10 f CA . 15896 1 94 . 1 1 10 10 PHE CB C 13 38.567 0.2 . 1 . . . . 10 f CB . 15896 1 95 . 1 1 10 10 PHE CD1 C 13 130.226 0.2 . 3 . . . . 10 f CD1 . 15896 1 96 . 1 1 10 10 PHE N N 15 128.991 0.2 . 1 . . . . 10 f N . 15896 1 97 . 1 1 11 11 SER H H 1 7.144 0.01 . 1 . . . . 11 s HN . 15896 1 98 . 1 1 11 11 SER HA H 1 4.413 0.01 . 1 . . . . 11 s HA . 15896 1 99 . 1 1 11 11 SER HB2 H 1 3.748 0.01 . 2 . . . . 11 s HB2 . 15896 1 100 . 1 1 11 11 SER HB3 H 1 3.522 0.01 . 2 . . . . 11 s HB3 . 15896 1 101 . 1 1 11 11 SER C C 13 175.9 0.2 . 1 . . . . 11 s C . 15896 1 102 . 1 1 11 11 SER CA C 13 54.207 0.2 . 1 . . . . 11 s CA . 15896 1 103 . 1 1 11 11 SER CB C 13 64.423 0.2 . 1 . . . . 11 s CB . 15896 1 104 . 1 1 11 11 SER N N 15 121.909 0.2 . 1 . . . . 11 s N . 15896 1 105 . 1 1 12 12 PRO HA H 1 4.439 0.01 . 1 . . . . 12 p HA . 15896 1 106 . 1 1 12 12 PRO HB2 H 1 2.166 0.01 . 2 . . . . 12 p HB2 . 15896 1 107 . 1 1 12 12 PRO HB3 H 1 1.955 0.01 . 2 . . . . 12 p HB3 . 15896 1 108 . 1 1 12 12 PRO HD2 H 1 3.523 0.01 . 2 . . . . 12 p QD . 15896 1 109 . 1 1 12 12 PRO HD3 H 1 3.523 0.01 . 2 . . . . 12 p QD . 15896 1 110 . 1 1 12 12 PRO HG2 H 1 1.898 0.01 . 2 . . . . 12 p QG . 15896 1 111 . 1 1 12 12 PRO HG3 H 1 1.898 0.01 . 2 . . . . 12 p QG . 15896 1 112 . 1 1 12 12 PRO C C 13 176.3 0.2 . 1 . . . . 12 p C . 15896 1 113 . 1 1 12 12 PRO CA C 13 62.354 0.2 . 1 . . . . 12 p CA . 15896 1 114 . 1 1 12 12 PRO CB C 13 31.175 0.2 . 1 . . . . 12 p CB . 15896 1 115 . 1 1 12 12 PRO CD C 13 49.896 0.2 . 1 . . . . 12 p CD . 15896 1 116 . 1 1 12 12 PRO CG C 13 25.49 0.2 . 1 . . . . 12 p CG . 15896 1 117 . 1 1 13 13 GLY H H 1 7.983 0.01 . 1 . . . . 13 g HN . 15896 1 118 . 1 1 13 13 GLY HA2 H 1 4.416 0.01 . . . . . . 13 g HA1 . 15896 1 119 . 1 1 13 13 GLY HA3 H 1 3.579 0.01 . 2 . . . . 13 g HA2 . 15896 1 120 . 1 1 13 13 GLY CA C 13 43.758 0.2 . 1 . . . . 13 g CA . 15896 1 121 . 1 1 13 13 GLY N N 15 110.053 0.2 . 1 . . . . 13 g N . 15896 1 122 . 1 1 14 14 PRO HA H 1 4.426 0.01 . 1 . . . . 14 p HA . 15896 1 123 . 1 1 14 14 PRO HB2 H 1 2.136 0.01 . 2 . . . . 14 p HB2 . 15896 1 124 . 1 1 14 14 PRO HB3 H 1 1.975 0.01 . 2 . . . . 14 p HB3 . 15896 1 125 . 1 1 14 14 PRO HD2 H 1 3.347 0.01 . 2 . . . . 14 p HD2 . 15896 1 126 . 1 1 14 14 PRO HD3 H 1 3.594 0.01 . 2 . . . . 14 p HD3 . 15896 1 127 . 1 1 14 14 PRO HG2 H 1 1.947 0.01 . 2 . . . . 14 p HG2 . 15896 1 128 . 1 1 14 14 PRO HG3 H 1 1.635 0.01 . 2 . . . . 14 p HG3 . 15896 1 129 . 1 1 14 14 PRO C C 13 175.5 0.2 . 1 . . . . 14 p C . 15896 1 130 . 1 1 14 14 PRO CA C 13 63.414 0.2 . 1 . . . . 14 p CA . 15896 1 131 . 1 1 14 14 PRO CB C 13 31.708 0.2 . 1 . . . . 14 p CB . 15896 1 132 . 1 1 14 14 PRO CD C 13 49.596 0.2 . 1 . . . . 14 p CD . 15896 1 133 . 1 1 14 14 PRO CG C 13 29.394 0.2 . 1 . . . . 14 p CG . 15896 1 134 . 1 1 15 15 ASN H H 1 7.523 0.01 . 1 . . . . 15 n HN . 15896 1 135 . 1 1 15 15 ASN HA H 1 5.703 0.01 . 1 . . . . 15 n HA . 15896 1 136 . 1 1 15 15 ASN HB2 H 1 2.497 0.01 . 2 . . . . 15 n HB2 . 15896 1 137 . 1 1 15 15 ASN HB3 H 1 2.538 0.01 . 2 . . . . 15 n HB3 . 15896 1 138 . 1 1 15 15 ASN HD21 H 1 7.481 0.01 . 2 . . . . 15 n HD21 . 15896 1 139 . 1 1 15 15 ASN HD22 H 1 6.69 0.01 . 2 . . . . 15 n HD22 . 15896 1 140 . 1 1 15 15 ASN CA C 13 49.925 0.2 . 1 . . . . 15 n CA . 15896 1 141 . 1 1 15 15 ASN CB C 13 41.276 0.2 . 1 . . . . 15 n CB . 15896 1 142 . 1 1 15 15 ASN N N 15 115.113 0.2 . 1 . . . . 15 n N . 15896 1 143 . 1 1 15 15 ASN ND2 N 15 113.559 0.2 . 1 . . . . 15 n ND2 . 15896 1 144 . 1 1 16 16 ALA H H 1 9.107 0.01 . 1 . . . . 16 a HN . 15896 1 145 . 1 1 16 16 ALA HA H 1 4.813 0.01 . 1 . . . . 16 a HA . 15896 1 146 . 1 1 16 16 ALA HB1 H 1 1.246 0.01 . . . . . . 16 a QB . 15896 1 147 . 1 1 16 16 ALA HB2 H 1 1.246 0.01 . . . . . . 16 a QB . 15896 1 148 . 1 1 16 16 ALA HB3 H 1 1.246 0.01 . . . . . . 16 a QB . 15896 1 149 . 1 1 16 16 ALA C C 13 173.265 0.2 . 1 . . . . 16 a C . 15896 1 150 . 1 1 16 16 ALA CA C 13 50.252 0.2 . 1 . . . . 16 a CA . 15896 1 151 . 1 1 16 16 ALA CB C 13 22.22 0.2 . 1 . . . . 16 a CB . 15896 1 152 . 1 1 16 16 ALA N N 15 121.82 0.2 . 1 . . . . 16 a N . 15896 1 153 . 1 1 17 17 ALA H H 1 8.455 0.01 . 1 . . . . 17 a HN . 15896 1 154 . 1 1 17 17 ALA HA H 1 5.269 0.01 . 1 . . . . 17 a HA . 15896 1 155 . 1 1 17 17 ALA HB1 H 1 0.852 0.01 . . . . . . 17 a QB . 15896 1 156 . 1 1 17 17 ALA HB2 H 1 0.852 0.01 . . . . . . 17 a QB . 15896 1 157 . 1 1 17 17 ALA HB3 H 1 0.852 0.01 . . . . . . 17 a QB . 15896 1 158 . 1 1 17 17 ALA C C 13 174.048 0.2 . 1 . . . . 17 a C . 15896 1 159 . 1 1 17 17 ALA CA C 13 49.571 0.2 . 1 . . . . 17 a CA . 15896 1 160 . 1 1 17 17 ALA CB C 13 21.69 0.2 . 1 . . . . 17 a CB . 15896 1 161 . 1 1 17 17 ALA N N 15 123.754 0.2 . 1 . . . . 17 a N . 15896 1 162 . 1 1 18 18 ALA H H 1 8.422 0.01 . 1 . . . . 18 a HN . 15896 1 163 . 1 1 18 18 ALA HA H 1 4.501 0.01 . 1 . . . . 18 a HA . 15896 1 164 . 1 1 18 18 ALA HB1 H 1 0.877 0.01 . . . . . . 18 a QB . 15896 1 165 . 1 1 18 18 ALA HB2 H 1 0.877 0.01 . . . . . . 18 a QB . 15896 1 166 . 1 1 18 18 ALA HB3 H 1 0.877 0.01 . . . . . . 18 a QB . 15896 1 167 . 1 1 18 18 ALA C C 13 172.655 0.2 . 1 . . . . 18 a C . 15896 1 168 . 1 1 18 18 ALA CA C 13 48.854 0.2 . 1 . . . . 18 a CA . 15896 1 169 . 1 1 18 18 ALA CB C 13 22.019 0.2 . 1 . . . . 18 a CB . 15896 1 170 . 1 1 18 18 ALA N N 15 119.056 0.2 . 1 . . . . 18 a N . 15896 1 171 . 1 1 19 19 TYR H H 1 8.189 0.01 . 1 . . . . 19 y HN . 15896 1 172 . 1 1 19 19 TYR HA H 1 4.308 0.01 . 1 . . . . 19 y HA . 15896 1 173 . 1 1 19 19 TYR HB2 H 1 2.929 0.01 . 2 . . . . 19 y HB2 . 15896 1 174 . 1 1 19 19 TYR HB3 H 1 1.164 0.01 . 2 . . . . 19 y HB3 . 15896 1 175 . 1 1 19 19 TYR HE1 H 1 5.887 0.01 . 3 . . . . 19 y QE . 15896 1 176 . 1 1 19 19 TYR HE2 H 1 5.887 0.01 . 3 . . . . 19 y QE . 15896 1 177 . 1 1 19 19 TYR C C 13 173.09 0.2 . 1 . . . . 19 y C . 15896 1 178 . 1 1 19 19 TYR CA C 13 55.378 0.2 . 1 . . . . 19 y CA . 15896 1 179 . 1 1 19 19 TYR CB C 13 39.888 0.2 . 1 . . . . 19 y CB . 15896 1 180 . 1 1 19 19 TYR CE1 C 13 115.347 0.2 . 3 . . . . 19 y CE1 . 15896 1 181 . 1 1 19 19 TYR N N 15 120.4 0.2 . 1 . . . . 19 y N . 15896 1 182 . 1 1 20 20 LEU H H 1 8.056 0.01 . 1 . . . . 20 l HN . 15896 1 183 . 1 1 20 20 LEU HA H 1 4.989 0.01 . 1 . . . . 20 l HA . 15896 1 184 . 1 1 20 20 LEU HB2 H 1 1.661 0.01 . 2 . . . . 20 l HB2 . 15896 1 185 . 1 1 20 20 LEU HB3 H 1 2.227 0.01 . 2 . . . . 20 l HB3 . 15896 1 186 . 1 1 20 20 LEU HD11 H 1 1.653 0.01 . . . . . . 20 l QD1 . 15896 1 187 . 1 1 20 20 LEU HD12 H 1 1.653 0.01 . . . . . . 20 l QD1 . 15896 1 188 . 1 1 20 20 LEU HD13 H 1 1.653 0.01 . . . . . . 20 l QD1 . 15896 1 189 . 1 1 20 20 LEU HD21 H 1 1.612 0.01 . . . . . . 20 l QD2 . 15896 1 190 . 1 1 20 20 LEU HD22 H 1 1.612 0.01 . . . . . . 20 l QD2 . 15896 1 191 . 1 1 20 20 LEU HD23 H 1 1.612 0.01 . . . . . . 20 l QD2 . 15896 1 192 . 1 1 20 20 LEU HG H 1 0.838 0.01 . 1 . . . . 20 l HG . 15896 1 193 . 1 1 20 20 LEU C C 13 174.152 0.2 . 1 . . . . 20 l C . 15896 1 194 . 1 1 20 20 LEU CA C 13 55.086 0.2 . 1 . . . . 20 l CA . 15896 1 195 . 1 1 20 20 LEU CB C 13 42.666 0.2 . 1 . . . . 20 l CB . 15896 1 196 . 1 1 20 20 LEU CD1 C 13 24.644 0.2 . 2 . . . . 20 l CD1 . 15896 1 197 . 1 1 20 20 LEU CD2 C 13 25.523 0.2 . 2 . . . . 20 l CD2 . 15896 1 198 . 1 1 20 20 LEU CG C 13 27.074 0.2 . 1 . . . . 20 l CG . 15896 1 199 . 1 1 20 20 LEU N N 15 115.513 0.2 . 1 . . . . 20 l N . 15896 1 200 . 1 1 21 21 THR H H 1 8.495 0.01 . 1 . . . . 21 t HN . 15896 1 201 . 1 1 21 21 THR HA H 1 4.949 0.01 . 1 . . . . 21 t HA . 15896 1 202 . 1 1 21 21 THR HB H 1 4.012 0.01 . 1 . . . . 21 t HB . 15896 1 203 . 1 1 21 21 THR HG21 H 1 1.034 0.01 . . . . . . 21 t QG2 . 15896 1 204 . 1 1 21 21 THR HG22 H 1 1.034 0.01 . . . . . . 21 t QG2 . 15896 1 205 . 1 1 21 21 THR HG23 H 1 1.034 0.01 . . . . . . 21 t QG2 . 15896 1 206 . 1 1 21 21 THR C C 13 171.865 0.2 . 1 . . . . 21 t C . 15896 1 207 . 1 1 21 21 THR CA C 13 61.481 0.2 . 1 . . . . 21 t CA . 15896 1 208 . 1 1 21 21 THR CB C 13 69.106 0.2 . 1 . . . . 21 t CB . 15896 1 209 . 1 1 21 21 THR CG2 C 13 21.106 0.2 . 1 . . . . 21 t CG2 . 15896 1 210 . 1 1 21 21 THR N N 15 118.731 0.2 . 1 . . . . 21 t N . 15896 1 211 . 1 1 22 22 LEU H H 1 8.698 0.01 . 1 . . . . 22 l HN . 15896 1 212 . 1 1 22 22 LEU HA H 1 4.771 0.01 . 1 . . . . 22 l HA . 15896 1 213 . 1 1 22 22 LEU HB2 H 1 1.574 0.01 . 2 . . . . 22 l HB2 . 15896 1 214 . 1 1 22 22 LEU HB3 H 1 1.35 0.01 . 2 . . . . 22 l HB3 . 15896 1 215 . 1 1 22 22 LEU HD11 H 1 0.844 0.01 . . . . . . 22 l QD1 . 15896 1 216 . 1 1 22 22 LEU HD12 H 1 0.844 0.01 . . . . . . 22 l QD1 . 15896 1 217 . 1 1 22 22 LEU HD13 H 1 0.844 0.01 . . . . . . 22 l QD1 . 15896 1 218 . 1 1 22 22 LEU HD21 H 1 0.869 0.01 . . . . . . 22 l QD2 . 15896 1 219 . 1 1 22 22 LEU HD22 H 1 0.869 0.01 . . . . . . 22 l QD2 . 15896 1 220 . 1 1 22 22 LEU HD23 H 1 0.869 0.01 . . . . . . 22 l QD2 . 15896 1 221 . 1 1 22 22 LEU HG H 1 1.506 0.01 . 1 . . . . 22 l HG . 15896 1 222 . 1 1 22 22 LEU C C 13 173.439 0.2 . 1 . . . . 22 l C . 15896 1 223 . 1 1 22 22 LEU CA C 13 52.758 0.2 . 1 . . . . 22 l CA . 15896 1 224 . 1 1 22 22 LEU CB C 13 43.751 0.2 . 1 . . . . 22 l CB . 15896 1 225 . 1 1 22 22 LEU CD1 C 13 25.09 0.2 . 2 . . . . 22 l CD1 . 15896 1 226 . 1 1 22 22 LEU CD2 C 13 24.27 0.2 . 2 . . . . 22 l CD2 . 15896 1 227 . 1 1 22 22 LEU CG C 13 25.872 0.2 . 1 . . . . 22 l CG . 15896 1 228 . 1 1 22 22 LEU N N 15 128.471 0.2 . 1 . . . . 22 l N . 15896 1 229 . 1 1 23 23 GLU H H 1 8.421 0.01 . 1 . . . . 23 e HN . 15896 1 230 . 1 1 23 23 GLU HA H 1 4.74 0.01 . 1 . . . . 23 e HA . 15896 1 231 . 1 1 23 23 GLU HB2 H 1 1.877 0.01 . 2 . . . . 23 e HB2 . 15896 1 232 . 1 1 23 23 GLU HB3 H 1 1.676 0.01 . 2 . . . . 23 e HB3 . 15896 1 233 . 1 1 23 23 GLU HG2 H 1 2.059 0.01 . 2 . . . . 23 e HG2 . 15896 1 234 . 1 1 23 23 GLU HG3 H 1 1.925 0.01 . 2 . . . . 23 e HG3 . 15896 1 235 . 1 1 23 23 GLU C C 13 173.851 0.2 . 1 . . . . 23 e C . 15896 1 236 . 1 1 23 23 GLU CA C 13 54.093 0.2 . 1 . . . . 23 e CA . 15896 1 237 . 1 1 23 23 GLU CB C 13 31.548 0.2 . 1 . . . . 23 e CB . 15896 1 238 . 1 1 23 23 GLU CG C 13 35.775 0.2 . 1 . . . . 23 e CG . 15896 1 239 . 1 1 23 23 GLU N N 15 123.41 0.2 . 1 . . . . 23 e N . 15896 1 240 . 1 1 24 24 ASN H H 1 8.319 0.01 . 1 . . . . 24 n HN . 15896 1 241 . 1 1 24 24 ASN HA H 1 5.059 0.01 . 1 . . . . 24 n HA . 15896 1 242 . 1 1 24 24 ASN HB2 H 1 2.116 0.01 . 2 . . . . 24 n HB2 . 15896 1 243 . 1 1 24 24 ASN HB3 H 1 3.194 0.01 . 2 . . . . 24 n HB3 . 15896 1 244 . 1 1 24 24 ASN HD21 H 1 7.499 0.01 . 2 . . . . 24 n HD21 . 15896 1 245 . 1 1 24 24 ASN HD22 H 1 6.442 0.01 . 2 . . . . 24 n HD22 . 15896 1 246 . 1 1 24 24 ASN C C 13 175.9 0.2 . 1 . . . . 24 n C . 15896 1 247 . 1 1 24 24 ASN CA C 13 47.644 0.2 . 1 . . . . 24 n CA . 15896 1 248 . 1 1 24 24 ASN CB C 13 39.341 0.2 . 1 . . . . 24 n CB . 15896 1 249 . 1 1 24 24 ASN N N 15 116.647 0.2 . 1 . . . . 24 n N . 15896 1 250 . 1 1 24 24 ASN ND2 N 15 112.346 0.2 . 1 . . . . 24 n ND2 . 15896 1 251 . 1 1 25 25 PRO HA H 1 4.509 0.01 . 1 . . . . 25 p HA . 15896 1 252 . 1 1 25 25 PRO HB2 H 1 2.127 0.01 . 2 . . . . 25 p HB2 . 15896 1 253 . 1 1 25 25 PRO HB3 H 1 1.963 0.01 . 2 . . . . 25 p HB3 . 15896 1 254 . 1 1 25 25 PRO HD2 H 1 3.525 0.01 . 2 . . . . 25 p HD2 . 15896 1 255 . 1 1 25 25 PRO HD3 H 1 3.702 0.01 . 2 . . . . 25 p HD3 . 15896 1 256 . 1 1 25 25 PRO HG2 H 1 1.776 0.01 . 2 . . . . 25 p QG . 15896 1 257 . 1 1 25 25 PRO HG3 H 1 1.776 0.01 . 2 . . . . 25 p QG . 15896 1 258 . 1 1 25 25 PRO C C 13 174.5 0.2 . 1 . . . . 25 p C . 15896 1 259 . 1 1 25 25 PRO CA C 13 62.116 0.2 . 1 . . . . 25 p CA . 15896 1 260 . 1 1 25 25 PRO CB C 13 31.206 0.2 . 1 . . . . 25 p CB . 15896 1 261 . 1 1 25 25 PRO CD C 13 49.332 0.2 . 1 . . . . 25 p CD . 15896 1 262 . 1 1 25 25 PRO CG C 13 25.203 0.2 . 1 . . . . 25 p CG . 15896 1 263 . 1 1 26 26 GLY H H 1 7.559 0.01 . 1 . . . . 26 g HN . 15896 1 264 . 1 1 26 26 GLY HA2 H 1 4.236 0.01 . . . . . . 26 g HA1 . 15896 1 265 . 1 1 26 26 GLY HA3 H 1 3.81 0.01 . 2 . . . . 26 g HA2 . 15896 1 266 . 1 1 26 26 GLY C C 13 170.917 0.2 . 1 . . . . 26 g C . 15896 1 267 . 1 1 26 26 GLY CA C 13 43.632 0.2 . 1 . . . . 26 g CA . 15896 1 268 . 1 1 26 26 GLY N N 15 107.617 0.2 . 1 . . . . 26 g N . 15896 1 269 . 1 1 27 27 ASP H H 1 7.929 0.01 . 1 . . . . 27 d HN . 15896 1 270 . 1 1 27 27 ASP HA H 1 4.542 0.01 . 1 . . . . 27 d HA . 15896 1 271 . 1 1 27 27 ASP HB2 H 1 2.67 0.01 . 2 . . . . 27 d HB2 . 15896 1 272 . 1 1 27 27 ASP HB3 H 1 2.401 0.01 . 2 . . . . 27 d HB3 . 15896 1 273 . 1 1 27 27 ASP C C 13 174.728 0.2 . 1 . . . . 27 d C . 15896 1 274 . 1 1 27 27 ASP CA C 13 53.951 0.2 . 1 . . . . 27 d CA . 15896 1 275 . 1 1 27 27 ASP CB C 13 41.052 0.2 . 1 . . . . 27 d CB . 15896 1 276 . 1 1 27 27 ASP N N 15 112.954 0.2 . 1 . . . . 27 d N . 15896 1 277 . 1 1 28 28 LEU H H 1 7.497 0.01 . 1 . . . . 28 l HN . 15896 1 278 . 1 1 28 28 LEU HA H 1 4.788 0.01 . 1 . . . . 28 l HA . 15896 1 279 . 1 1 28 28 LEU HB2 H 1 1.475 0.01 . 2 . . . . 28 l HB2 . 15896 1 280 . 1 1 28 28 LEU HB3 H 1 1.392 0.01 . 2 . . . . 28 l HB3 . 15896 1 281 . 1 1 28 28 LEU HD11 H 1 0.823 0.01 . . . . . . 28 l QD1 . 15896 1 282 . 1 1 28 28 LEU HD12 H 1 0.823 0.01 . . . . . . 28 l QD1 . 15896 1 283 . 1 1 28 28 LEU HD13 H 1 0.823 0.01 . . . . . . 28 l QD1 . 15896 1 284 . 1 1 28 28 LEU HD21 H 1 0.845 0.01 . . . . . . 28 l QD2 . 15896 1 285 . 1 1 28 28 LEU HD22 H 1 0.845 0.01 . . . . . . 28 l QD2 . 15896 1 286 . 1 1 28 28 LEU HD23 H 1 0.845 0.01 . . . . . . 28 l QD2 . 15896 1 287 . 1 1 28 28 LEU HG H 1 1.522 0.01 . 1 . . . . 28 l HG . 15896 1 288 . 1 1 28 28 LEU C C 13 173.5 0.2 . 1 . . . . 28 l C . 15896 1 289 . 1 1 28 28 LEU CA C 13 50.801 0.2 . 1 . . . . 28 l CA . 15896 1 290 . 1 1 28 28 LEU CB C 13 41.924 0.2 . 1 . . . . 28 l CB . 15896 1 291 . 1 1 28 28 LEU CD1 C 13 24.062 0.2 . 2 . . . . 28 l CD1 . 15896 1 292 . 1 1 28 28 LEU CD2 C 13 22.013 0.2 . 2 . . . . 28 l CD2 . 15896 1 293 . 1 1 28 28 LEU CG C 13 26.013 0.2 . 1 . . . . 28 l CG . 15896 1 294 . 1 1 28 28 LEU N N 15 119.95 0.2 . 1 . . . . 28 l N . 15896 1 295 . 1 1 29 29 PRO HA H 1 4.094 0.01 . 1 . . . . 29 p HA . 15896 1 296 . 1 1 29 29 PRO HB2 H 1 1.598 0.01 . 2 . . . . 29 p HB2 . 15896 1 297 . 1 1 29 29 PRO HB3 H 1 2.12 0.01 . 2 . . . . 29 p HB3 . 15896 1 298 . 1 1 29 29 PRO HD2 H 1 3.692 0.01 . 2 . . . . 29 p QD . 15896 1 299 . 1 1 29 29 PRO HD3 H 1 3.692 0.01 . 2 . . . . 29 p QD . 15896 1 300 . 1 1 29 29 PRO HG2 H 1 1.979 0.01 . 2 . . . . 29 p HG2 . 15896 1 301 . 1 1 29 29 PRO HG3 H 1 1.861 0.01 . 2 . . . . 29 p HG3 . 15896 1 302 . 1 1 29 29 PRO C C 13 176.5 0.2 . 1 . . . . 29 p C . 15896 1 303 . 1 1 29 29 PRO CA C 13 62.036 0.2 . 1 . . . . 29 p CA . 15896 1 304 . 1 1 29 29 PRO CB C 13 31.268 0.2 . 1 . . . . 29 p CB . 15896 1 305 . 1 1 29 29 PRO CD C 13 49.682 0.2 . 1 . . . . 29 p CD . 15896 1 306 . 1 1 29 29 PRO CG C 13 26.474 0.2 . 1 . . . . 29 p CG . 15896 1 307 . 1 1 30 30 LEU H H 1 8.027 0.01 . 1 . . . . 30 l HN . 15896 1 308 . 1 1 30 30 LEU HA H 1 4.643 0.01 . 1 . . . . 30 l HA . 15896 1 309 . 1 1 30 30 LEU HB2 H 1 1.466 0.01 . 2 . . . . 30 l HB2 . 15896 1 310 . 1 1 30 30 LEU HB3 H 1 1.328 0.01 . 2 . . . . 30 l HB3 . 15896 1 311 . 1 1 30 30 LEU HD11 H 1 0.468 0.01 . . . . . . 30 l QD1 . 15896 1 312 . 1 1 30 30 LEU HD12 H 1 0.468 0.01 . . . . . . 30 l QD1 . 15896 1 313 . 1 1 30 30 LEU HD13 H 1 0.468 0.01 . . . . . . 30 l QD1 . 15896 1 314 . 1 1 30 30 LEU HD21 H 1 0.388 0.01 . . . . . . 30 l QD2 . 15896 1 315 . 1 1 30 30 LEU HD22 H 1 0.388 0.01 . . . . . . 30 l QD2 . 15896 1 316 . 1 1 30 30 LEU HD23 H 1 0.388 0.01 . . . . . . 30 l QD2 . 15896 1 317 . 1 1 30 30 LEU HG H 1 1.35 0.01 . 1 . . . . 30 l HG . 15896 1 318 . 1 1 30 30 LEU C C 13 174.572 0.2 . 1 . . . . 30 l C . 15896 1 319 . 1 1 30 30 LEU CA C 13 52.257 0.2 . 1 . . . . 30 l CA . 15896 1 320 . 1 1 30 30 LEU CB C 13 44.6 0.2 . 1 . . . . 30 l CB . 15896 1 321 . 1 1 30 30 LEU CD1 C 13 22.812 0.2 . 2 . . . . 30 l CD1 . 15896 1 322 . 1 1 30 30 LEU CD2 C 13 23.067 0.2 . 2 . . . . 30 l CD2 . 15896 1 323 . 1 1 30 30 LEU CG C 13 25.898 0.2 . 1 . . . . 30 l CG . 15896 1 324 . 1 1 30 30 LEU N N 15 122.866 0.2 . 1 . . . . 30 l N . 15896 1 325 . 1 1 31 31 ARG H H 1 9.159 0.01 . 1 . . . . 31 r HN . 15896 1 326 . 1 1 31 31 ARG HA H 1 4.919 0.01 . 1 . . . . 31 r HA . 15896 1 327 . 1 1 31 31 ARG HB2 H 1 1.509 0.01 . 2 . . . . 31 r HB2 . 15896 1 328 . 1 1 31 31 ARG HB3 H 1 1.626 0.01 . 2 . . . . 31 r HB3 . 15896 1 329 . 1 1 31 31 ARG HD2 H 1 2.467 0.01 . 2 . . . . 31 r HD2 . 15896 1 330 . 1 1 31 31 ARG HD3 H 1 2.133 0.01 . 2 . . . . 31 r HD3 . 15896 1 331 . 1 1 31 31 ARG HG2 H 1 1.228 0.01 . 2 . . . . 31 r HG2 . 15896 1 332 . 1 1 31 31 ARG HG3 H 1 1.144 0.01 . 2 . . . . 31 r HG3 . 15896 1 333 . 1 1 31 31 ARG C C 13 173.229 0.2 . 1 . . . . 31 r C . 15896 1 334 . 1 1 31 31 ARG CA C 13 54.789 0.2 . 1 . . . . 31 r CA . 15896 1 335 . 1 1 31 31 ARG CB C 13 31.11 0.2 . 1 . . . . 31 r CB . 15896 1 336 . 1 1 31 31 ARG CD C 13 42.044 0.2 . 1 . . . . 31 r CD . 15896 1 337 . 1 1 31 31 ARG CG C 13 27.056 0.2 . 1 . . . . 31 r CG . 15896 1 338 . 1 1 31 31 ARG N N 15 124.72 0.2 . 1 . . . . 31 r N . 15896 1 339 . 1 1 32 32 LEU H H 1 9.046 0.01 . 1 . . . . 32 l HN . 15896 1 340 . 1 1 32 32 LEU HA H 1 4.16 0.01 . 1 . . . . 32 l HA . 15896 1 341 . 1 1 32 32 LEU HB2 H 1 1.061 0.01 . 2 . . . . 32 l HB2 . 15896 1 342 . 1 1 32 32 LEU HB3 H 1 1.908 0.01 . 2 . . . . 32 l HB3 . 15896 1 343 . 1 1 32 32 LEU HD11 H 1 0.529 0.01 . . . . . . 32 l QD1 . 15896 1 344 . 1 1 32 32 LEU HD12 H 1 0.529 0.01 . . . . . . 32 l QD1 . 15896 1 345 . 1 1 32 32 LEU HD13 H 1 0.529 0.01 . . . . . . 32 l QD1 . 15896 1 346 . 1 1 32 32 LEU HD21 H 1 0.646 0.01 . . . . . . 32 l QD2 . 15896 1 347 . 1 1 32 32 LEU HD22 H 1 0.646 0.01 . . . . . . 32 l QD2 . 15896 1 348 . 1 1 32 32 LEU HD23 H 1 0.646 0.01 . . . . . . 32 l QD2 . 15896 1 349 . 1 1 32 32 LEU HG H 1 1.276 0.01 . 1 . . . . 32 l HG . 15896 1 350 . 1 1 32 32 LEU C C 13 175.134 0.2 . 1 . . . . 32 l C . 15896 1 351 . 1 1 32 32 LEU CA C 13 54.123 0.2 . 1 . . . . 32 l CA . 15896 1 352 . 1 1 32 32 LEU CB C 13 42.657 0.2 . 1 . . . . 32 l CB . 15896 1 353 . 1 1 32 32 LEU CD1 C 13 22.475 0.2 . 2 . . . . 32 l CD1 . 15896 1 354 . 1 1 32 32 LEU CD2 C 13 25.735 0.2 . 2 . . . . 32 l CD2 . 15896 1 355 . 1 1 32 32 LEU CG C 13 26.1 0.2 . 1 . . . . 32 l CG . 15896 1 356 . 1 1 32 32 LEU N N 15 131.334 0.2 . 1 . . . . 32 l N . 15896 1 357 . 1 1 33 33 VAL H H 1 8.781 0.01 . 1 . . . . 33 v HN . 15896 1 358 . 1 1 33 33 VAL HA H 1 4.82 0.01 . 1 . . . . 33 v HA . 15896 1 359 . 1 1 33 33 VAL HB H 1 2.43 0.01 . 1 . . . . 33 v HB . 15896 1 360 . 1 1 33 33 VAL HG11 H 1 0.841 0.01 . . . . . . 33 v QG1 . 15896 1 361 . 1 1 33 33 VAL HG12 H 1 0.841 0.01 . . . . . . 33 v QG1 . 15896 1 362 . 1 1 33 33 VAL HG13 H 1 0.841 0.01 . . . . . . 33 v QG1 . 15896 1 363 . 1 1 33 33 VAL HG21 H 1 0.479 0.01 . . . . . . 33 v QG2 . 15896 1 364 . 1 1 33 33 VAL HG22 H 1 0.479 0.01 . . . . . . 33 v QG2 . 15896 1 365 . 1 1 33 33 VAL HG23 H 1 0.479 0.01 . . . . . . 33 v QG2 . 15896 1 366 . 1 1 33 33 VAL C C 13 175.259 0.2 . 1 . . . . 33 v C . 15896 1 367 . 1 1 33 33 VAL CA C 13 59.944 0.2 . 1 . . . . 33 v CA . 15896 1 368 . 1 1 33 33 VAL CB C 13 31.836 0.2 . 1 . . . . 33 v CB . 15896 1 369 . 1 1 33 33 VAL CG1 C 13 20.591 0.2 . 2 . . . . 33 v CG1 . 15896 1 370 . 1 1 33 33 VAL CG2 C 13 16.828 0.2 . 2 . . . . 33 v CG2 . 15896 1 371 . 1 1 33 33 VAL N N 15 117.071 0.2 . 1 . . . . 33 v N . 15896 1 372 . 1 1 34 34 GLY H H 1 7.607 0.01 . 1 . . . . 34 g HN . 15896 1 373 . 1 1 34 34 GLY HA2 H 1 3.835 0.01 . . . . . . 34 g HA1 . 15896 1 374 . 1 1 34 34 GLY HA3 H 1 4.164 0.01 . 2 . . . . 34 g HA2 . 15896 1 375 . 1 1 34 34 GLY C C 13 168.886 0.2 . 1 . . . . 34 g C . 15896 1 376 . 1 1 34 34 GLY CA C 13 44.77 0.2 . 1 . . . . 34 g CA . 15896 1 377 . 1 1 34 34 GLY N N 15 107.339 0.2 . 1 . . . . 34 g N . 15896 1 378 . 1 1 35 35 ALA H H 1 8.519 0.01 . 1 . . . . 35 a HN . 15896 1 379 . 1 1 35 35 ALA HA H 1 5.139 0.01 . 1 . . . . 35 a HA . 15896 1 380 . 1 1 35 35 ALA HB1 H 1 0.642 0.01 . . . . . . 35 a QB . 15896 1 381 . 1 1 35 35 ALA HB2 H 1 0.642 0.01 . . . . . . 35 a QB . 15896 1 382 . 1 1 35 35 ALA HB3 H 1 0.642 0.01 . . . . . . 35 a QB . 15896 1 383 . 1 1 35 35 ALA C C 13 173.947 0.2 . 1 . . . . 35 a C . 15896 1 384 . 1 1 35 35 ALA CA C 13 50.408 0.2 . 1 . . . . 35 a CA . 15896 1 385 . 1 1 35 35 ALA CB C 13 21.999 0.2 . 1 . . . . 35 a CB . 15896 1 386 . 1 1 35 35 ALA N N 15 119.179 0.2 . 1 . . . . 35 a N . 15896 1 387 . 1 1 36 36 ARG H H 1 8.322 0.01 . 1 . . . . 36 r HN . 15896 1 388 . 1 1 36 36 ARG HA H 1 4.462 0.01 . 1 . . . . 36 r HA . 15896 1 389 . 1 1 36 36 ARG HB2 H 1 1.701 0.01 . 2 . . . . 36 r QB . 15896 1 390 . 1 1 36 36 ARG HB3 H 1 1.701 0.01 . 2 . . . . 36 r QB . 15896 1 391 . 1 1 36 36 ARG HD2 H 1 3.061 0.01 . 2 . . . . 36 r QD . 15896 1 392 . 1 1 36 36 ARG HD3 H 1 3.061 0.01 . 2 . . . . 36 r QD . 15896 1 393 . 1 1 36 36 ARG HG2 H 1 1.449 0.01 . 2 . . . . 36 r QG . 15896 1 394 . 1 1 36 36 ARG HG3 H 1 1.449 0.01 . 2 . . . . 36 r QG . 15896 1 395 . 1 1 36 36 ARG C C 13 172.416 0.2 . 1 . . . . 36 r C . 15896 1 396 . 1 1 36 36 ARG CA C 13 54.245 0.2 . 1 . . . . 36 r CA . 15896 1 397 . 1 1 36 36 ARG CB C 13 32.742 0.2 . 1 . . . . 36 r CB . 15896 1 398 . 1 1 36 36 ARG CD C 13 42.567 0.2 . 1 . . . . 36 r CD . 15896 1 399 . 1 1 36 36 ARG CG C 13 26.323 0.2 . 1 . . . . 36 r CG . 15896 1 400 . 1 1 36 36 ARG N N 15 114.133 0.2 . 1 . . . . 36 r N . 15896 1 401 . 1 1 37 37 THR H H 1 8.892 0.01 . 1 . . . . 37 t HN . 15896 1 402 . 1 1 37 37 THR HA H 1 5.092 0.01 . 1 . . . . 37 t HA . 15896 1 403 . 1 1 37 37 THR HB H 1 4.258 0.01 . 1 . . . . 37 t HB . 15896 1 404 . 1 1 37 37 THR HG1 H 1 5.636 0.01 . 1 . . . . 37 t HG1 . 15896 1 405 . 1 1 37 37 THR HG21 H 1 0.751 0.01 . . . . . . 37 t QG2 . 15896 1 406 . 1 1 37 37 THR HG22 H 1 0.751 0.01 . . . . . . 37 t QG2 . 15896 1 407 . 1 1 37 37 THR HG23 H 1 0.751 0.01 . . . . . . 37 t QG2 . 15896 1 408 . 1 1 37 37 THR C C 13 173.7 0.2 . 1 . . . . 37 t C . 15896 1 409 . 1 1 37 37 THR CA C 13 56.756 0.2 . 1 . . . . 37 t CA . 15896 1 410 . 1 1 37 37 THR CB C 13 69.059 0.2 . 1 . . . . 37 t CB . 15896 1 411 . 1 1 37 37 THR CG2 C 13 18.765 0.2 . 1 . . . . 37 t CG2 . 15896 1 412 . 1 1 37 37 THR N N 15 117.467 0.2 . 1 . . . . 37 t N . 15896 1 413 . 1 1 38 38 PRO HA H 1 4.403 0.01 . 1 . . . . 38 p HA . 15896 1 414 . 1 1 38 38 PRO HB2 H 1 2.343 0.01 . 2 . . . . 38 p HB2 . 15896 1 415 . 1 1 38 38 PRO HB3 H 1 1.808 0.01 . 2 . . . . 38 p HB3 . 15896 1 416 . 1 1 38 38 PRO HD2 H 1 3.75 0.01 . 2 . . . . 38 p HD2 . 15896 1 417 . 1 1 38 38 PRO HD3 H 1 3.867 0.01 . 2 . . . . 38 p HD3 . 15896 1 418 . 1 1 38 38 PRO HG2 H 1 1.888 0.01 . 2 . . . . 38 p QG . 15896 1 419 . 1 1 38 38 PRO HG3 H 1 1.888 0.01 . 2 . . . . 38 p QG . 15896 1 420 . 1 1 38 38 PRO C C 13 174.5 0.2 . 1 . . . . 38 p C . 15896 1 421 . 1 1 38 38 PRO CA C 13 63.098 0.2 . 1 . . . . 38 p CA . 15896 1 422 . 1 1 38 38 PRO CB C 13 31.696 0.2 . 1 . . . . 38 p CB . 15896 1 423 . 1 1 38 38 PRO CD C 13 51.552 0.2 . 1 . . . . 38 p CD . 15896 1 424 . 1 1 38 38 PRO CG C 13 26.536 0.2 . 1 . . . . 38 p CG . 15896 1 425 . 1 1 39 39 VAL H H 1 7.131 0.01 . 1 . . . . 39 v HN . 15896 1 426 . 1 1 39 39 VAL HA H 1 4.164 0.01 . 1 . . . . 39 v HA . 15896 1 427 . 1 1 39 39 VAL HB H 1 2.3 0.01 . 1 . . . . 39 v HB . 15896 1 428 . 1 1 39 39 VAL HG11 H 1 0.746 0.01 . . . . . . 39 v QG1 . 15896 1 429 . 1 1 39 39 VAL HG12 H 1 0.746 0.01 . . . . . . 39 v QG1 . 15896 1 430 . 1 1 39 39 VAL HG13 H 1 0.746 0.01 . . . . . . 39 v QG1 . 15896 1 431 . 1 1 39 39 VAL HG21 H 1 0.834 0.01 . . . . . . 39 v QG2 . 15896 1 432 . 1 1 39 39 VAL HG22 H 1 0.834 0.01 . . . . . . 39 v QG2 . 15896 1 433 . 1 1 39 39 VAL HG23 H 1 0.834 0.01 . . . . . . 39 v QG2 . 15896 1 434 . 1 1 39 39 VAL C C 13 173.072 0.2 . 1 . . . . 39 v C . 15896 1 435 . 1 1 39 39 VAL CA C 13 60.904 0.2 . 1 . . . . 39 v CA . 15896 1 436 . 1 1 39 39 VAL CB C 13 31.699 0.2 . 1 . . . . 39 v CB . 15896 1 437 . 1 1 39 39 VAL CG1 C 13 18.8 0.2 . 2 . . . . 39 v CG1 . 15896 1 438 . 1 1 39 39 VAL CG2 C 13 19.637 0.2 . 2 . . . . 39 v CG2 . 15896 1 439 . 1 1 39 39 VAL N N 15 108.397 0.2 . 1 . . . . 39 v N . 15896 1 440 . 1 1 40 40 ALA H H 1 7.494 0.01 . 1 . . . . 40 a HN . 15896 1 441 . 1 1 40 40 ALA HA H 1 4.904 0.01 . 1 . . . . 40 a HA . 15896 1 442 . 1 1 40 40 ALA HB1 H 1 0.953 0.01 . . . . . . 40 a QB . 15896 1 443 . 1 1 40 40 ALA HB2 H 1 0.953 0.01 . . . . . . 40 a QB . 15896 1 444 . 1 1 40 40 ALA HB3 H 1 0.953 0.01 . . . . . . 40 a QB . 15896 1 445 . 1 1 40 40 ALA C C 13 174.322 0.2 . 1 . . . . 40 a C . 15896 1 446 . 1 1 40 40 ALA CA C 13 49.311 0.2 . 1 . . . . 40 a CA . 15896 1 447 . 1 1 40 40 ALA CB C 13 21.337 0.2 . 1 . . . . 40 a CB . 15896 1 448 . 1 1 40 40 ALA N N 15 122.054 0.2 . 1 . . . . 40 a N . 15896 1 449 . 1 1 41 41 GLU H H 1 8.179 0.01 . 1 . . . . 41 e HN . 15896 1 450 . 1 1 41 41 GLU HA H 1 3.915 0.01 . 1 . . . . 41 e HA . 15896 1 451 . 1 1 41 41 GLU HB2 H 1 2.077 0.01 . 2 . . . . 41 e HB2 . 15896 1 452 . 1 1 41 41 GLU HB3 H 1 2.136 0.01 . 2 . . . . 41 e HB3 . 15896 1 453 . 1 1 41 41 GLU HG2 H 1 2.408 0.01 . 2 . . . . 41 e HG2 . 15896 1 454 . 1 1 41 41 GLU HG3 H 1 2.282 0.01 . 2 . . . . 41 e HG3 . 15896 1 455 . 1 1 41 41 GLU C C 13 176.384 0.2 . 1 . . . . 41 e C . 15896 1 456 . 1 1 41 41 GLU CA C 13 58.372 0.2 . 1 . . . . 41 e CA . 15896 1 457 . 1 1 41 41 GLU CB C 13 29.17 0.2 . 1 . . . . 41 e CB . 15896 1 458 . 1 1 41 41 GLU CG C 13 35.032 0.2 . 1 . . . . 41 e CG . 15896 1 459 . 1 1 41 41 GLU N N 15 122.751 0.2 . 1 . . . . 41 e N . 15896 1 460 . 1 1 42 42 ARG H H 1 8.11 0.01 . 1 . . . . 42 r HN . 15896 1 461 . 1 1 42 42 ARG HA H 1 4.583 0.01 . 1 . . . . 42 r HA . 15896 1 462 . 1 1 42 42 ARG HB2 H 1 1.767 0.01 . 2 . . . . 42 r HB2 . 15896 1 463 . 1 1 42 42 ARG HB3 H 1 1.672 0.01 . 2 . . . . 42 r HB3 . 15896 1 464 . 1 1 42 42 ARG HD2 H 1 3.126 0.01 . 2 . . . . 42 r QD . 15896 1 465 . 1 1 42 42 ARG HD3 H 1 3.126 0.01 . 2 . . . . 42 r QD . 15896 1 466 . 1 1 42 42 ARG HG2 H 1 1.357 0.01 . 2 . . . . 42 r HG2 . 15896 1 467 . 1 1 42 42 ARG HG3 H 1 1.477 0.01 . 2 . . . . 42 r HG3 . 15896 1 468 . 1 1 42 42 ARG C C 13 171.823 0.2 . 1 . . . . 42 r C . 15896 1 469 . 1 1 42 42 ARG CA C 13 54.185 0.2 . 1 . . . . 42 r CA . 15896 1 470 . 1 1 42 42 ARG CB C 13 33.051 0.2 . 1 . . . . 42 r CB . 15896 1 471 . 1 1 42 42 ARG CD C 13 42.542 0.2 . 1 . . . . 42 r CD . 15896 1 472 . 1 1 42 42 ARG CG C 13 26.473 0.2 . 1 . . . . 42 r CG . 15896 1 473 . 1 1 42 42 ARG N N 15 113.819 0.2 . 1 . . . . 42 r N . 15896 1 474 . 1 1 43 43 VAL H H 1 8.434 0.01 . 1 . . . . 43 v HN . 15896 1 475 . 1 1 43 43 VAL HA H 1 5.053 0.01 . 1 . . . . 43 v HA . 15896 1 476 . 1 1 43 43 VAL HB H 1 1.736 0.01 . 1 . . . . 43 v HB . 15896 1 477 . 1 1 43 43 VAL HG11 H 1 0.588 0.01 . . . . . . 43 v QG1 . 15896 1 478 . 1 1 43 43 VAL HG12 H 1 0.588 0.01 . . . . . . 43 v QG1 . 15896 1 479 . 1 1 43 43 VAL HG13 H 1 0.588 0.01 . . . . . . 43 v QG1 . 15896 1 480 . 1 1 43 43 VAL HG21 H 1 0.526 0.01 . . . . . . 43 v QG2 . 15896 1 481 . 1 1 43 43 VAL HG22 H 1 0.526 0.01 . . . . . . 43 v QG2 . 15896 1 482 . 1 1 43 43 VAL HG23 H 1 0.526 0.01 . . . . . . 43 v QG2 . 15896 1 483 . 1 1 43 43 VAL C C 13 174.916 0.2 . 1 . . . . 43 v C . 15896 1 484 . 1 1 43 43 VAL CA C 13 59.139 0.2 . 1 . . . . 43 v CA . 15896 1 485 . 1 1 43 43 VAL CB C 13 32.537 0.2 . 1 . . . . 43 v CB . 15896 1 486 . 1 1 43 43 VAL CG1 C 13 21.969 0.2 . 2 . . . . 43 v CG1 . 15896 1 487 . 1 1 43 43 VAL CG2 C 13 21.968 0.2 . 2 . . . . 43 v CG2 . 15896 1 488 . 1 1 43 43 VAL N N 15 119.918 0.2 . 1 . . . . 43 v N . 15896 1 489 . 1 1 44 44 GLU H H 1 8.728 0.01 . 1 . . . . 44 e HN . 15896 1 490 . 1 1 44 44 GLU HA H 1 4.617 0.01 . 1 . . . . 44 e HA . 15896 1 491 . 1 1 44 44 GLU HB2 H 1 1.413 0.01 . 2 . . . . 44 e HB2 . 15896 1 492 . 1 1 44 44 GLU HB3 H 1 1.786 0.01 . 2 . . . . 44 e HB3 . 15896 1 493 . 1 1 44 44 GLU HG2 H 1 2.074 0.01 . 2 . . . . 44 e HG2 . 15896 1 494 . 1 1 44 44 GLU HG3 H 1 2.248 0.01 . 2 . . . . 44 e HG3 . 15896 1 495 . 1 1 44 44 GLU C C 13 174.01 0.2 . 1 . . . . 44 e C . 15896 1 496 . 1 1 44 44 GLU CA C 13 52.837 0.2 . 1 . . . . 44 e CA . 15896 1 497 . 1 1 44 44 GLU CB C 13 33.531 0.2 . 1 . . . . 44 e CB . 15896 1 498 . 1 1 44 44 GLU CG C 13 35.57 0.2 . 1 . . . . 44 e CG . 15896 1 499 . 1 1 44 44 GLU N N 15 124.722 0.2 . 1 . . . . 44 e N . 15896 1 500 . 1 1 45 45 LEU H H 1 8.874 0.01 . 1 . . . . 45 l HN . 15896 1 501 . 1 1 45 45 LEU HA H 1 4.234 0.01 . 1 . . . . 45 l HA . 15896 1 502 . 1 1 45 45 LEU HB2 H 1 1.421 0.01 . 2 . . . . 45 l HB2 . 15896 1 503 . 1 1 45 45 LEU HB3 H 1 1.361 0.01 . 2 . . . . 45 l HB3 . 15896 1 504 . 1 1 45 45 LEU HD11 H 1 0.182 0.01 . . . . . . 45 l QD1 . 15896 1 505 . 1 1 45 45 LEU HD12 H 1 0.182 0.01 . . . . . . 45 l QD1 . 15896 1 506 . 1 1 45 45 LEU HD13 H 1 0.182 0.01 . . . . . . 45 l QD1 . 15896 1 507 . 1 1 45 45 LEU HD21 H 1 0.29 0.01 . . . . . . 45 l QD2 . 15896 1 508 . 1 1 45 45 LEU HD22 H 1 0.29 0.01 . . . . . . 45 l QD2 . 15896 1 509 . 1 1 45 45 LEU HD23 H 1 0.29 0.01 . . . . . . 45 l QD2 . 15896 1 510 . 1 1 45 45 LEU HG H 1 1.217 0.01 . 1 . . . . 45 l HG . 15896 1 511 . 1 1 45 45 LEU C C 13 173.791 0.2 . 1 . . . . 45 l C . 15896 1 512 . 1 1 45 45 LEU CA C 13 53.412 0.2 . 1 . . . . 45 l CA . 15896 1 513 . 1 1 45 45 LEU CB C 13 41.074 0.2 . 1 . . . . 45 l CB . 15896 1 514 . 1 1 45 45 LEU CD1 C 13 22.282 0.2 . 2 . . . . 45 l CD1 . 15896 1 515 . 1 1 45 45 LEU CD2 C 13 23.961 0.2 . 2 . . . . 45 l CD2 . 15896 1 516 . 1 1 45 45 LEU CG C 13 25.995 0.2 . 1 . . . . 45 l CG . 15896 1 517 . 1 1 45 45 LEU N N 15 124.354 0.2 . 1 . . . . 45 l N . 15896 1 518 . 1 1 46 46 HIS H H 1 9.001 0.01 . 1 . . . . 46 h HN . 15896 1 519 . 1 1 46 46 HIS HA H 1 5.326 0.01 . 1 . . . . 46 h HA . 15896 1 520 . 1 1 46 46 HIS HB2 H 1 1.424 0.01 . 2 . . . . 46 h HB2 . 15896 1 521 . 1 1 46 46 HIS HB3 H 1 2.265 0.01 . 2 . . . . 46 h HB3 . 15896 1 522 . 1 1 46 46 HIS HD2 H 1 6.504 0.01 . 1 . . . . 46 h HD2 . 15896 1 523 . 1 1 46 46 HIS C C 13 173.166 0.2 . 1 . . . . 46 h C . 15896 1 524 . 1 1 46 46 HIS CA C 13 52.02 0.2 . 1 . . . . 46 h CA . 15896 1 525 . 1 1 46 46 HIS CB C 13 34.356 0.2 . 1 . . . . 46 h CB . 15896 1 526 . 1 1 46 46 HIS CD2 C 13 115.763 0.2 . 1 . . . . 46 h CD2 . 15896 1 527 . 1 1 46 46 HIS N N 15 124.258 0.2 . 1 . . . . 46 h N . 15896 1 528 . 1 1 47 47 GLU H H 1 8.755 0.01 . 1 . . . . 47 e HN . 15896 1 529 . 1 1 47 47 GLU HA H 1 4.494 0.01 . 1 . . . . 47 e HA . 15896 1 530 . 1 1 47 47 GLU HB2 H 1 1.996 0.01 . 2 . . . . 47 e HB2 . 15896 1 531 . 1 1 47 47 GLU HB3 H 1 1.805 0.01 . 2 . . . . 47 e HB3 . 15896 1 532 . 1 1 47 47 GLU HG2 H 1 2.024 0.01 . 2 . . . . 47 e HG2 . 15896 1 533 . 1 1 47 47 GLU HG3 H 1 1.725 0.01 . 2 . . . . 47 e HG3 . 15896 1 534 . 1 1 47 47 GLU C C 13 174.478 0.2 . 1 . . . . 47 e C . 15896 1 535 . 1 1 47 47 GLU CA C 13 52.727 0.2 . 1 . . . . 47 e CA . 15896 1 536 . 1 1 47 47 GLU CB C 13 32.313 0.2 . 1 . . . . 47 e CB . 15896 1 537 . 1 1 47 47 GLU CG C 13 34.019 0.2 . 1 . . . . 47 e CG . 15896 1 538 . 1 1 47 47 GLU N N 15 116.175 0.2 . 1 . . . . 47 e N . 15896 1 539 . 1 1 48 48 THR H H 1 7.894 0.01 . 1 . . . . 48 t HN . 15896 1 540 . 1 1 48 48 THR HA H 1 5.025 0.01 . 1 . . . . 48 t HA . 15896 1 541 . 1 1 48 48 THR HB H 1 3.59 0.01 . 1 . . . . 48 t HB . 15896 1 542 . 1 1 48 48 THR HG21 H 1 1.083 0.01 . . . . . . 48 t QG2 . 15896 1 543 . 1 1 48 48 THR HG22 H 1 1.083 0.01 . . . . . . 48 t QG2 . 15896 1 544 . 1 1 48 48 THR HG23 H 1 1.083 0.01 . . . . . . 48 t QG2 . 15896 1 545 . 1 1 48 48 THR C C 13 172.666 0.2 . 1 . . . . 48 t C . 15896 1 546 . 1 1 48 48 THR CA C 13 61.429 0.2 . 1 . . . . 48 t CA . 15896 1 547 . 1 1 48 48 THR CB C 13 68.988 0.2 . 1 . . . . 48 t CB . 15896 1 548 . 1 1 48 48 THR CG2 C 13 20.787 0.2 . 1 . . . . 48 t CG2 . 15896 1 549 . 1 1 48 48 THR N N 15 119.497 0.2 . 1 . . . . 48 t N . 15896 1 550 . 1 1 49 49 PHE H H 1 8.507 0.01 . 1 . . . . 49 f HN . 15896 1 551 . 1 1 49 49 PHE HA H 1 4.915 0.01 . 1 . . . . 49 f HA . 15896 1 552 . 1 1 49 49 PHE HB2 H 1 2.6 0.01 . 2 . . . . 49 f HB2 . 15896 1 553 . 1 1 49 49 PHE HB3 H 1 2.957 0.01 . 2 . . . . 49 f HB3 . 15896 1 554 . 1 1 49 49 PHE HD1 H 1 6.698 0.01 . 3 . . . . 49 f QD . 15896 1 555 . 1 1 49 49 PHE HD2 H 1 6.698 0.01 . 3 . . . . 49 f QD . 15896 1 556 . 1 1 49 49 PHE HE1 H 1 6.883 0.01 . 3 . . . . 49 f QE . 15896 1 557 . 1 1 49 49 PHE HE2 H 1 6.883 0.01 . 3 . . . . 49 f QE . 15896 1 558 . 1 1 49 49 PHE C C 13 171.104 0.2 . 1 . . . . 49 f C . 15896 1 559 . 1 1 49 49 PHE CA C 13 54.232 0.2 . 1 . . . . 49 f CA . 15896 1 560 . 1 1 49 49 PHE CB C 13 41.079 0.2 . 1 . . . . 49 f CB . 15896 1 561 . 1 1 49 49 PHE CE1 C 13 129.335 0.2 . 3 . . . . 49 f CE1 . 15896 1 562 . 1 1 49 49 PHE N N 15 124.831 0.2 . 1 . . . . 49 f N . 15896 1 563 . 1 1 50 50 MET H H 1 8.524 0.01 . 1 . . . . 50 m HN . 15896 1 564 . 1 1 50 50 MET HA H 1 5.048 0.01 . 1 . . . . 50 m HA . 15896 1 565 . 1 1 50 50 MET HB2 H 1 1.837 0.01 . 2 . . . . 50 m HB2 . 15896 1 566 . 1 1 50 50 MET HB3 H 1 1.788 0.01 . 2 . . . . 50 m HB3 . 15896 1 567 . 1 1 50 50 MET HE1 H 1 1.87 0.01 . . . . . . 50 m QE . 15896 1 568 . 1 1 50 50 MET HE2 H 1 1.87 0.01 . . . . . . 50 m QE . 15896 1 569 . 1 1 50 50 MET HE3 H 1 1.87 0.01 . . . . . . 50 m QE . 15896 1 570 . 1 1 50 50 MET HG2 H 1 2.412 0.01 . 2 . . . . 50 m HG2 . 15896 1 571 . 1 1 50 50 MET HG3 H 1 2.386 0.01 . 2 . . . . 50 m HG3 . 15896 1 572 . 1 1 50 50 MET C C 13 174.635 0.2 . 1 . . . . 50 m C . 15896 1 573 . 1 1 50 50 MET CA C 13 52.931 0.2 . 1 . . . . 50 m CA . 15896 1 574 . 1 1 50 50 MET CB C 13 33.89 0.2 . 1 . . . . 50 m CB . 15896 1 575 . 1 1 50 50 MET CE C 13 15.78 0.2 . 1 . . . . 50 m CE . 15896 1 576 . 1 1 50 50 MET CG C 13 31.628 0.2 . 1 . . . . 50 m CG . 15896 1 577 . 1 1 50 50 MET N N 15 119.502 0.2 . 1 . . . . 50 m N . 15896 1 578 . 1 1 51 51 ARG H H 1 8.753 0.01 . 1 . . . . 51 r HN . 15896 1 579 . 1 1 51 51 ARG HA H 1 4.592 0.01 . 1 . . . . 51 r HA . 15896 1 580 . 1 1 51 51 ARG HB2 H 1 1.648 0.01 . 2 . . . . 51 r HB2 . 15896 1 581 . 1 1 51 51 ARG HB3 H 1 1.552 0.01 . 2 . . . . 51 r HB3 . 15896 1 582 . 1 1 51 51 ARG HD2 H 1 3.019 0.01 . 2 . . . . 51 r QD . 15896 1 583 . 1 1 51 51 ARG HD3 H 1 3.019 0.01 . 2 . . . . 51 r QD . 15896 1 584 . 1 1 51 51 ARG HG2 H 1 1.416 0.01 . 2 . . . . 51 r HG2 . 15896 1 585 . 1 1 51 51 ARG HG3 H 1 1.304 0.01 . 2 . . . . 51 r HG3 . 15896 1 586 . 1 1 51 51 ARG C C 13 173.135 0.2 . 1 . . . . 51 r C . 15896 1 587 . 1 1 51 51 ARG CA C 13 53.562 0.2 . 1 . . . . 51 r CA . 15896 1 588 . 1 1 51 51 ARG CB C 13 32.491 0.2 . 1 . . . . 51 r CB . 15896 1 589 . 1 1 51 51 ARG CD C 13 42.749 0.2 . 1 . . . . 51 r CD . 15896 1 590 . 1 1 51 51 ARG CG C 13 25.913 0.2 . 1 . . . . 51 r CG . 15896 1 591 . 1 1 51 51 ARG N N 15 123.572 0.2 . 1 . . . . 51 r N . 15896 1 592 . 1 1 52 52 GLU H H 1 8.508 0.01 . 1 . . . . 52 e HN . 15896 1 593 . 1 1 52 52 GLU HA H 1 4.928 0.01 . 1 . . . . 52 e HA . 15896 1 594 . 1 1 52 52 GLU HB2 H 1 1.727 0.01 . 2 . . . . 52 e HB2 . 15896 1 595 . 1 1 52 52 GLU HB3 H 1 1.799 0.01 . 2 . . . . 52 e HB3 . 15896 1 596 . 1 1 52 52 GLU HG2 H 1 1.843 0.01 . 2 . . . . 52 e HG2 . 15896 1 597 . 1 1 52 52 GLU HG3 H 1 1.923 0.01 . 2 . . . . 52 e HG3 . 15896 1 598 . 1 1 52 52 GLU C C 13 175.166 0.2 . 1 . . . . 52 e C . 15896 1 599 . 1 1 52 52 GLU CA C 13 54.604 0.2 . 1 . . . . 52 e CA . 15896 1 600 . 1 1 52 52 GLU CB C 13 30.024 0.2 . 1 . . . . 52 e CB . 15896 1 601 . 1 1 52 52 GLU CG C 13 35.893 0.2 . 1 . . . . 52 e CG . 15896 1 602 . 1 1 52 52 GLU N N 15 122.798 0.2 . 1 . . . . 52 e N . 15896 1 603 . 1 1 53 53 VAL H H 1 8.921 0.01 . 1 . . . . 53 v HN . 15896 1 604 . 1 1 53 53 VAL HA H 1 4.105 0.01 . 1 . . . . 53 v HA . 15896 1 605 . 1 1 53 53 VAL HB H 1 1.828 0.01 . 1 . . . . 53 v HB . 15896 1 606 . 1 1 53 53 VAL HG11 H 1 0.83 0.01 . . . . . . 53 v QG1 . 15896 1 607 . 1 1 53 53 VAL HG12 H 1 0.83 0.01 . . . . . . 53 v QG1 . 15896 1 608 . 1 1 53 53 VAL HG13 H 1 0.83 0.01 . . . . . . 53 v QG1 . 15896 1 609 . 1 1 53 53 VAL HG21 H 1 0.747 0.01 . . . . . . 53 v QG2 . 15896 1 610 . 1 1 53 53 VAL HG22 H 1 0.747 0.01 . . . . . . 53 v QG2 . 15896 1 611 . 1 1 53 53 VAL HG23 H 1 0.747 0.01 . . . . . . 53 v QG2 . 15896 1 612 . 1 1 53 53 VAL C C 13 174.843 0.2 . 1 . . . . 53 v C . 15896 1 613 . 1 1 53 53 VAL CA C 13 60.806 0.2 . 1 . . . . 53 v CA . 15896 1 614 . 1 1 53 53 VAL CB C 13 33.318 0.2 . 1 . . . . 53 v CB . 15896 1 615 . 1 1 53 53 VAL CG1 C 13 19.622 0.2 . 2 . . . . 53 v CG1 . 15896 1 616 . 1 1 53 53 VAL CG2 C 13 19.798 0.2 . 2 . . . . 53 v CG2 . 15896 1 617 . 1 1 53 53 VAL N N 15 126.351 0.2 . 1 . . . . 53 v N . 15896 1 618 . 1 1 54 54 GLU H H 1 9.384 0.01 . 1 . . . . 54 e HN . 15896 1 619 . 1 1 54 54 GLU HA H 1 3.744 0.01 . 1 . . . . 54 e HA . 15896 1 620 . 1 1 54 54 GLU HB2 H 1 1.872 0.01 . 2 . . . . 54 e HB2 . 15896 1 621 . 1 1 54 54 GLU HB3 H 1 2.138 0.01 . 2 . . . . 54 e HB3 . 15896 1 622 . 1 1 54 54 GLU HG2 H 1 2.174 0.01 . 2 . . . . 54 e HG2 . 15896 1 623 . 1 1 54 54 GLU HG3 H 1 2.143 0.01 . 2 . . . . 54 e HG3 . 15896 1 624 . 1 1 54 54 GLU C C 13 175.572 0.2 . 1 . . . . 54 e C . 15896 1 625 . 1 1 54 54 GLU CA C 13 56.102 0.2 . 1 . . . . 54 e CA . 15896 1 626 . 1 1 54 54 GLU CB C 13 26.562 0.2 . 1 . . . . 54 e CB . 15896 1 627 . 1 1 54 54 GLU CG C 13 35.635 0.2 . 1 . . . . 54 e CG . 15896 1 628 . 1 1 54 54 GLU N N 15 127.242 0.2 . 1 . . . . 54 e N . 15896 1 629 . 1 1 55 55 GLY H H 1 8.512 0.01 . 1 . . . . 55 g HN . 15896 1 630 . 1 1 55 55 GLY HA2 H 1 4.032 0.01 . . . . . . 55 g HA1 . 15896 1 631 . 1 1 55 55 GLY HA3 H 1 3.551 0.01 . 2 . . . . 55 g HA2 . 15896 1 632 . 1 1 55 55 GLY C C 13 172.947 0.2 . 1 . . . . 55 g C . 15896 1 633 . 1 1 55 55 GLY CA C 13 44.596 0.2 . 1 . . . . 55 g CA . 15896 1 634 . 1 1 55 55 GLY N N 15 103.958 0.2 . 1 . . . . 55 g N . 15896 1 635 . 1 1 56 56 LYS H H 1 7.783 0.01 . 1 . . . . 56 k HN . 15896 1 636 . 1 1 56 56 LYS HA H 1 4.501 0.01 . 1 . . . . 56 k HA . 15896 1 637 . 1 1 56 56 LYS HB2 H 1 1.703 0.01 . 2 . . . . 56 k HB2 . 15896 1 638 . 1 1 56 56 LYS HB3 H 1 1.624 0.01 . 2 . . . . 56 k HB3 . 15896 1 639 . 1 1 56 56 LYS HD2 H 1 1.575 0.01 . 2 . . . . 56 k QD . 15896 1 640 . 1 1 56 56 LYS HD3 H 1 1.575 0.01 . 2 . . . . 56 k QD . 15896 1 641 . 1 1 56 56 LYS HE2 H 1 2.894 0.01 . 2 . . . . 56 k QE . 15896 1 642 . 1 1 56 56 LYS HE3 H 1 2.894 0.01 . 2 . . . . 56 k QE . 15896 1 643 . 1 1 56 56 LYS HG2 H 1 1.577 0.01 . 2 . . . . 56 k HG2 . 15896 1 644 . 1 1 56 56 LYS HG3 H 1 1.291 0.01 . 2 . . . . 56 k HG3 . 15896 1 645 . 1 1 56 56 LYS C C 13 174.166 0.2 . 1 . . . . 56 k C . 15896 1 646 . 1 1 56 56 LYS CA C 13 53.571 0.2 . 1 . . . . 56 k CA . 15896 1 647 . 1 1 56 56 LYS CB C 13 33.477 0.2 . 1 . . . . 56 k CB . 15896 1 648 . 1 1 56 56 LYS CD C 13 28.041 0.2 . 1 . . . . 56 k CD . 15896 1 649 . 1 1 56 56 LYS CE C 13 41.198 0.2 . 1 . . . . 56 k CE . 15896 1 650 . 1 1 56 56 LYS CG C 13 23.648 0.2 . 1 . . . . 56 k CG . 15896 1 651 . 1 1 56 56 LYS N N 15 120.957 0.2 . 1 . . . . 56 k N . 15896 1 652 . 1 1 57 57 LYS H H 1 8.425 0.01 . 1 . . . . 57 k HN . 15896 1 653 . 1 1 57 57 LYS HA H 1 4.602 0.01 . 1 . . . . 57 k HA . 15896 1 654 . 1 1 57 57 LYS HB2 H 1 1.514 0.01 . 2 . . . . 57 k HB2 . 15896 1 655 . 1 1 57 57 LYS HB3 H 1 1.663 0.01 . 2 . . . . 57 k HB3 . 15896 1 656 . 1 1 57 57 LYS HD2 H 1 1.494 0.01 . 2 . . . . 57 k QD . 15896 1 657 . 1 1 57 57 LYS HD3 H 1 1.494 0.01 . 2 . . . . 57 k QD . 15896 1 658 . 1 1 57 57 LYS HE2 H 1 2.848 0.01 . 2 . . . . 57 k QE . 15896 1 659 . 1 1 57 57 LYS HE3 H 1 2.848 0.01 . 2 . . . . 57 k QE . 15896 1 660 . 1 1 57 57 LYS HG2 H 1 1.394 0.01 . 2 . . . . 57 k HG2 . 15896 1 661 . 1 1 57 57 LYS HG3 H 1 1.239 0.01 . 2 . . . . 57 k HG3 . 15896 1 662 . 1 1 57 57 LYS C C 13 175.509 0.2 . 1 . . . . 57 k C . 15896 1 663 . 1 1 57 57 LYS CA C 13 55.117 0.2 . 1 . . . . 57 k CA . 15896 1 664 . 1 1 57 57 LYS CB C 13 31.811 0.2 . 1 . . . . 57 k CB . 15896 1 665 . 1 1 57 57 LYS CD C 13 28.128 0.2 . 1 . . . . 57 k CD . 15896 1 666 . 1 1 57 57 LYS CE C 13 41.225 0.2 . 1 . . . . 57 k CE . 15896 1 667 . 1 1 57 57 LYS CG C 13 24.307 0.2 . 1 . . . . 57 k CG . 15896 1 668 . 1 1 57 57 LYS N N 15 122.34 0.2 . 1 . . . . 57 k N . 15896 1 669 . 1 1 58 58 VAL H H 1 8.921 0.01 . 1 . . . . 58 v HN . 15896 1 670 . 1 1 58 58 VAL HA H 1 4.222 0.01 . 1 . . . . 58 v HA . 15896 1 671 . 1 1 58 58 VAL HB H 1 1.831 0.01 . 1 . . . . 58 v HB . 15896 1 672 . 1 1 58 58 VAL HG11 H 1 0.702 0.01 . . . . . . 58 v QG1 . 15896 1 673 . 1 1 58 58 VAL HG12 H 1 0.702 0.01 . . . . . . 58 v QG1 . 15896 1 674 . 1 1 58 58 VAL HG13 H 1 0.702 0.01 . . . . . . 58 v QG1 . 15896 1 675 . 1 1 58 58 VAL HG21 H 1 0.758 0.01 . . . . . . 58 v QG2 . 15896 1 676 . 1 1 58 58 VAL HG22 H 1 0.758 0.01 . . . . . . 58 v QG2 . 15896 1 677 . 1 1 58 58 VAL HG23 H 1 0.758 0.01 . . . . . . 58 v QG2 . 15896 1 678 . 1 1 58 58 VAL C C 13 173.791 0.2 . 1 . . . . 58 v C . 15896 1 679 . 1 1 58 58 VAL CA C 13 59.954 0.2 . 1 . . . . 58 v CA . 15896 1 680 . 1 1 58 58 VAL CB C 13 34.153 0.2 . 1 . . . . 58 v CB . 15896 1 681 . 1 1 58 58 VAL CG1 C 13 19.972 0.2 . 2 . . . . 58 v CG1 . 15896 1 682 . 1 1 58 58 VAL CG2 C 13 19.566 0.2 . 2 . . . . 58 v CG2 . 15896 1 683 . 1 1 58 58 VAL N N 15 123.408 0.2 . 1 . . . . 58 v N . 15896 1 684 . 1 1 59 59 MET H H 1 8.457 0.01 . 1 . . . . 59 m HN . 15896 1 685 . 1 1 59 59 MET HA H 1 4.849 0.01 . 1 . . . . 59 m HA . 15896 1 686 . 1 1 59 59 MET HB2 H 1 2.462 0.01 . 2 . . . . 59 m HB2 . 15896 1 687 . 1 1 59 59 MET HB3 H 1 1.811 0.01 . 2 . . . . 59 m HB3 . 15896 1 688 . 1 1 59 59 MET HE1 H 1 2.054 0.01 . . . . . . 59 m QE . 15896 1 689 . 1 1 59 59 MET HE2 H 1 2.054 0.01 . . . . . . 59 m QE . 15896 1 690 . 1 1 59 59 MET HE3 H 1 2.054 0.01 . . . . . . 59 m QE . 15896 1 691 . 1 1 59 59 MET HG2 H 1 2.403 0.01 . 2 . . . . 59 m QG . 15896 1 692 . 1 1 59 59 MET HG3 H 1 2.403 0.01 . 2 . . . . 59 m QG . 15896 1 693 . 1 1 59 59 MET C C 13 175.353 0.2 . 1 . . . . 59 m C . 15896 1 694 . 1 1 59 59 MET CA C 13 53.861 0.2 . 1 . . . . 59 m CA . 15896 1 695 . 1 1 59 59 MET CB C 13 32.43 0.2 . 1 . . . . 59 m CB . 15896 1 696 . 1 1 59 59 MET CE C 13 16.683 0.2 . 1 . . . . 59 m CE . 15896 1 697 . 1 1 59 59 MET CG C 13 34.1 0.2 . 1 . . . . 59 m CG . 15896 1 698 . 1 1 59 59 MET N N 15 125.178 0.2 . 1 . . . . 59 m N . 15896 1 699 . 1 1 60 60 GLY H H 1 8.272 0.01 . 1 . . . . 60 g HN . 15896 1 700 . 1 1 60 60 GLY HA2 H 1 4.191 0.01 . . . . . . 60 g HA1 . 15896 1 701 . 1 1 60 60 GLY HA3 H 1 2.84 0.01 . 2 . . . . 60 g HA2 . 15896 1 702 . 1 1 60 60 GLY C C 13 170.323 0.2 . 1 . . . . 60 g C . 15896 1 703 . 1 1 60 60 GLY CA C 13 43.012 0.2 . 1 . . . . 60 g CA . 15896 1 704 . 1 1 60 60 GLY N N 15 112.04 0.2 . 1 . . . . 60 g N . 15896 1 705 . 1 1 61 61 MET H H 1 8.198 0.01 . 1 . . . . 61 m HN . 15896 1 706 . 1 1 61 61 MET HA H 1 5.684 0.01 . 1 . . . . 61 m HA . 15896 1 707 . 1 1 61 61 MET HB2 H 1 2.083 0.01 . 2 . . . . 61 m HB2 . 15896 1 708 . 1 1 61 61 MET HB3 H 1 1.757 0.01 . 2 . . . . 61 m HB3 . 15896 1 709 . 1 1 61 61 MET HE1 H 1 1.839 0.01 . . . . . . 61 m QE . 15896 1 710 . 1 1 61 61 MET HE2 H 1 1.839 0.01 . . . . . . 61 m QE . 15896 1 711 . 1 1 61 61 MET HE3 H 1 1.839 0.01 . . . . . . 61 m QE . 15896 1 712 . 1 1 61 61 MET HG2 H 1 2.65 0.01 . 2 . . . . 61 m HG2 . 15896 1 713 . 1 1 61 61 MET HG3 H 1 2.615 0.01 . 2 . . . . 61 m HG3 . 15896 1 714 . 1 1 61 61 MET C C 13 174.635 0.2 . 1 . . . . 61 m C . 15896 1 715 . 1 1 61 61 MET CA C 13 52.871 0.2 . 1 . . . . 61 m CA . 15896 1 716 . 1 1 61 61 MET CB C 13 34.616 0.2 . 1 . . . . 61 m CB . 15896 1 717 . 1 1 61 61 MET CE C 13 16.798 0.2 . 1 . . . . 61 m CE . 15896 1 718 . 1 1 61 61 MET CG C 13 31.988 0.2 . 1 . . . . 61 m CG . 15896 1 719 . 1 1 61 61 MET N N 15 115.078 0.2 . 1 . . . . 61 m N . 15896 1 720 . 1 1 62 62 ARG H H 1 8.344 0.01 . 1 . . . . 62 r HN . 15896 1 721 . 1 1 62 62 ARG HA H 1 4.658 0.01 . 1 . . . . 62 r HA . 15896 1 722 . 1 1 62 62 ARG HB2 H 1 1.676 0.01 . 2 . . . . 62 r HB2 . 15896 1 723 . 1 1 62 62 ARG HB3 H 1 1.728 0.01 . 2 . . . . 62 r HB3 . 15896 1 724 . 1 1 62 62 ARG HD2 H 1 2.732 0.01 . 2 . . . . 62 r HD2 . 15896 1 725 . 1 1 62 62 ARG HD3 H 1 2.102 0.01 . 2 . . . . 62 r HD3 . 15896 1 726 . 1 1 62 62 ARG HG2 H 1 1.405 0.01 . 2 . . . . 62 r HG2 . 15896 1 727 . 1 1 62 62 ARG HG3 H 1 1.321 0.01 . 2 . . . . 62 r HG3 . 15896 1 728 . 1 1 62 62 ARG C C 13 177.5 0.2 . 1 . . . . 62 r C . 15896 1 729 . 1 1 62 62 ARG CA C 13 52.066 0.2 . 1 . . . . 62 r CA . 15896 1 730 . 1 1 62 62 ARG CB C 13 29.784 0.2 . 1 . . . . 62 r CB . 15896 1 731 . 1 1 62 62 ARG CD C 13 42.626 0.2 . 1 . . . . 62 r CD . 15896 1 732 . 1 1 62 62 ARG CG C 13 24.67 0.2 . 1 . . . . 62 r CG . 15896 1 733 . 1 1 62 62 ARG N N 15 117.326 0.2 . 1 . . . . 62 r N . 15896 1 734 . 1 1 63 63 PRO HA H 1 5.383 0.01 . 1 . . . . 63 p HA . 15896 1 735 . 1 1 63 63 PRO HB2 H 1 2.202 0.01 . 2 . . . . 63 p HB2 . 15896 1 736 . 1 1 63 63 PRO HB3 H 1 1.829 0.01 . 2 . . . . 63 p HB3 . 15896 1 737 . 1 1 63 63 PRO HD2 H 1 3.522 0.01 . 2 . . . . 63 p QD . 15896 1 738 . 1 1 63 63 PRO HD3 H 1 3.522 0.01 . 2 . . . . 63 p QD . 15896 1 739 . 1 1 63 63 PRO HG2 H 1 1.863 0.01 . 2 . . . . 63 p HG2 . 15896 1 740 . 1 1 63 63 PRO HG3 H 1 1.717 0.01 . 2 . . . . 63 p HG3 . 15896 1 741 . 1 1 63 63 PRO C C 13 176.5 0.2 . 1 . . . . 63 p C . 15896 1 742 . 1 1 63 63 PRO CA C 13 61.358 0.2 . 1 . . . . 63 p CA . 15896 1 743 . 1 1 63 63 PRO CB C 13 31.341 0.2 . 1 . . . . 63 p CB . 15896 1 744 . 1 1 63 63 PRO CD C 13 49.976 0.2 . 1 . . . . 63 p CD . 15896 1 745 . 1 1 63 63 PRO CG C 13 26.364 0.2 . 1 . . . . 63 p CG . 15896 1 746 . 1 1 64 64 VAL H H 1 8.286 0.01 . 1 . . . . 64 v HN . 15896 1 747 . 1 1 64 64 VAL HA H 1 4.649 0.01 . 1 . . . . 64 v HA . 15896 1 748 . 1 1 64 64 VAL HB H 1 1.913 0.01 . 1 . . . . 64 v HB . 15896 1 749 . 1 1 64 64 VAL HG11 H 1 0.804 0.01 . . . . . . 64 v QG1 . 15896 1 750 . 1 1 64 64 VAL HG12 H 1 0.804 0.01 . . . . . . 64 v QG1 . 15896 1 751 . 1 1 64 64 VAL HG13 H 1 0.804 0.01 . . . . . . 64 v QG1 . 15896 1 752 . 1 1 64 64 VAL HG21 H 1 0.525 0.01 . . . . . . 64 v QG2 . 15896 1 753 . 1 1 64 64 VAL HG22 H 1 0.525 0.01 . . . . . . 64 v QG2 . 15896 1 754 . 1 1 64 64 VAL HG23 H 1 0.525 0.01 . . . . . . 64 v QG2 . 15896 1 755 . 1 1 64 64 VAL C C 13 176.3 0.2 . 1 . . . . 64 v C . 15896 1 756 . 1 1 64 64 VAL CA C 13 56.659 0.2 . 1 . . . . 64 v CA . 15896 1 757 . 1 1 64 64 VAL CB C 13 32.864 0.2 . 1 . . . . 64 v CB . 15896 1 758 . 1 1 64 64 VAL CG1 C 13 21.324 0.2 . 2 . . . . 64 v CG1 . 15896 1 759 . 1 1 64 64 VAL CG2 C 13 17.901 0.2 . 2 . . . . 64 v CG2 . 15896 1 760 . 1 1 64 64 VAL N N 15 115.863 0.2 . 1 . . . . 64 v N . 15896 1 761 . 1 1 65 65 PRO HA H 1 4.297 0.01 . 1 . . . . 65 p HA . 15896 1 762 . 1 1 65 65 PRO HB2 H 1 2.266 0.01 . 2 . . . . 65 p HB2 . 15896 1 763 . 1 1 65 65 PRO HB3 H 1 1.954 0.01 . 2 . . . . 65 p HB3 . 15896 1 764 . 1 1 65 65 PRO HD2 H 1 3.513 0.01 . 2 . . . . 65 p HD2 . 15896 1 765 . 1 1 65 65 PRO HD3 H 1 3.542 0.01 . 2 . . . . 65 p HD3 . 15896 1 766 . 1 1 65 65 PRO HG2 H 1 1.942 0.01 . 2 . . . . 65 p HG2 . 15896 1 767 . 1 1 65 65 PRO HG3 H 1 1.714 0.01 . 2 . . . . 65 p HG3 . 15896 1 768 . 1 1 65 65 PRO CA C 13 63.814 0.2 . 1 . . . . 65 p CA . 15896 1 769 . 1 1 65 65 PRO CB C 13 31.057 0.2 . 1 . . . . 65 p CB . 15896 1 770 . 1 1 65 65 PRO CD C 13 49.635 0.2 . 1 . . . . 65 p CD . 15896 1 771 . 1 1 65 65 PRO CG C 13 26.228 0.2 . 1 . . . . 65 p CG . 15896 1 772 . 1 1 66 66 PHE H H 1 6.539 0.01 . 1 . . . . 66 f HN . 15896 1 773 . 1 1 66 66 PHE HA H 1 4.979 0.01 . 1 . . . . 66 f HA . 15896 1 774 . 1 1 66 66 PHE HB2 H 1 3.304 0.01 . 2 . . . . 66 f HB2 . 15896 1 775 . 1 1 66 66 PHE HB3 H 1 2.641 0.01 . 2 . . . . 66 f HB3 . 15896 1 776 . 1 1 66 66 PHE HD1 H 1 6.685 0.01 . 3 . . . . 66 f QD . 15896 1 777 . 1 1 66 66 PHE HD2 H 1 6.685 0.01 . 3 . . . . 66 f QD . 15896 1 778 . 1 1 66 66 PHE HE1 H 1 7.202 0.01 . 3 . . . . 66 f QE . 15896 1 779 . 1 1 66 66 PHE HE2 H 1 7.202 0.01 . 3 . . . . 66 f QE . 15896 1 780 . 1 1 66 66 PHE C C 13 171.76 0.2 . 1 . . . . 66 f C . 15896 1 781 . 1 1 66 66 PHE CA C 13 55.166 0.2 . 1 . . . . 66 f CA . 15896 1 782 . 1 1 66 66 PHE CB C 13 39.584 0.2 . 1 . . . . 66 f CB . 15896 1 783 . 1 1 66 66 PHE CD1 C 13 130.596 0.2 . 3 . . . . 66 f CD1 . 15896 1 784 . 1 1 66 66 PHE CE1 C 13 128.772 0.2 . 3 . . . . 66 f CE1 . 15896 1 785 . 1 1 66 66 PHE N N 15 107.899 0.2 . 1 . . . . 66 f N . 15896 1 786 . 1 1 67 67 LEU H H 1 8.525 0.01 . 1 . . . . 67 l HN . 15896 1 787 . 1 1 67 67 LEU HA H 1 4.374 0.01 . 1 . . . . 67 l HA . 15896 1 788 . 1 1 67 67 LEU HB2 H 1 1.16 0.01 . 2 . . . . 67 l HB2 . 15896 1 789 . 1 1 67 67 LEU HB3 H 1 1.072 0.01 . 2 . . . . 67 l HB3 . 15896 1 790 . 1 1 67 67 LEU HD11 H 1 0.217 0.01 . . . . . . 67 l QD1 . 15896 1 791 . 1 1 67 67 LEU HD12 H 1 0.217 0.01 . . . . . . 67 l QD1 . 15896 1 792 . 1 1 67 67 LEU HD13 H 1 0.217 0.01 . . . . . . 67 l QD1 . 15896 1 793 . 1 1 67 67 LEU HD21 H 1 0.143 0.01 . . . . . . 67 l QD2 . 15896 1 794 . 1 1 67 67 LEU HD22 H 1 0.143 0.01 . . . . . . 67 l QD2 . 15896 1 795 . 1 1 67 67 LEU HD23 H 1 0.143 0.01 . . . . . . 67 l QD2 . 15896 1 796 . 1 1 67 67 LEU HG H 1 1.092 0.01 . 1 . . . . 67 l HG . 15896 1 797 . 1 1 67 67 LEU C C 13 173.729 0.2 . 1 . . . . 67 l C . 15896 1 798 . 1 1 67 67 LEU CA C 13 53.229 0.2 . 1 . . . . 67 l CA . 15896 1 799 . 1 1 67 67 LEU CB C 13 45.119 0.2 . 1 . . . . 67 l CB . 15896 1 800 . 1 1 67 67 LEU CD1 C 13 23.278 0.2 . 2 . . . . 67 l CD1 . 15896 1 801 . 1 1 67 67 LEU CD2 C 13 23.144 0.2 . 2 . . . . 67 l CD2 . 15896 1 802 . 1 1 67 67 LEU CG C 13 25.475 0.2 . 1 . . . . 67 l CG . 15896 1 803 . 1 1 67 67 LEU N N 15 118.033 0.2 . 1 . . . . 67 l N . 15896 1 804 . 1 1 68 68 GLU H H 1 8.892 0.01 . 1 . . . . 68 e HN . 15896 1 805 . 1 1 68 68 GLU HA H 1 5.054 0.01 . 1 . . . . 68 e HA . 15896 1 806 . 1 1 68 68 GLU HB2 H 1 1.947 0.01 . 2 . . . . 68 e HB2 . 15896 1 807 . 1 1 68 68 GLU HB3 H 1 1.849 0.01 . 2 . . . . 68 e HB3 . 15896 1 808 . 1 1 68 68 GLU HG2 H 1 1.855 0.01 . 2 . . . . 68 e HG2 . 15896 1 809 . 1 1 68 68 GLU HG3 H 1 2.002 0.01 . 2 . . . . 68 e HG3 . 15896 1 810 . 1 1 68 68 GLU C C 13 173.916 0.2 . 1 . . . . 68 e C . 15896 1 811 . 1 1 68 68 GLU CA C 13 54.683 0.2 . 1 . . . . 68 e CA . 15896 1 812 . 1 1 68 68 GLU CB C 13 31.212 0.2 . 1 . . . . 68 e CB . 15896 1 813 . 1 1 68 68 GLU CG C 13 37.201 0.2 . 1 . . . . 68 e CG . 15896 1 814 . 1 1 68 68 GLU N N 15 125.526 0.2 . 1 . . . . 68 e N . 15896 1 815 . 1 1 69 69 VAL H H 1 9.241 0.01 . 1 . . . . 69 v HN . 15896 1 816 . 1 1 69 69 VAL HA H 1 4.464 0.01 . 1 . . . . 69 v HA . 15896 1 817 . 1 1 69 69 VAL HB H 1 2.078 0.01 . 1 . . . . 69 v HB . 15896 1 818 . 1 1 69 69 VAL HG11 H 1 0.859 0.01 . . . . . . 69 v QG1 . 15896 1 819 . 1 1 69 69 VAL HG12 H 1 0.859 0.01 . . . . . . 69 v QG1 . 15896 1 820 . 1 1 69 69 VAL HG13 H 1 0.859 0.01 . . . . . . 69 v QG1 . 15896 1 821 . 1 1 69 69 VAL HG21 H 1 0.806 0.01 . . . . . . 69 v QG2 . 15896 1 822 . 1 1 69 69 VAL HG22 H 1 0.806 0.01 . . . . . . 69 v QG2 . 15896 1 823 . 1 1 69 69 VAL HG23 H 1 0.806 0.01 . . . . . . 69 v QG2 . 15896 1 824 . 1 1 69 69 VAL C C 13 178.2 0.2 . 1 . . . . 69 v C . 15896 1 825 . 1 1 69 69 VAL CA C 13 57.555 0.2 . 1 . . . . 69 v CA . 15896 1 826 . 1 1 69 69 VAL CB C 13 31.571 0.2 . 1 . . . . 69 v CB . 15896 1 827 . 1 1 69 69 VAL CG1 C 13 21.663 0.2 . 2 . . . . 69 v CG1 . 15896 1 828 . 1 1 69 69 VAL CG2 C 13 19.07 0.2 . 2 . . . . 69 v CG2 . 15896 1 829 . 1 1 69 69 VAL N N 15 126.708 0.2 . 1 . . . . 69 v N . 15896 1 830 . 1 1 70 70 PRO C C 13 178.1 0.2 . 1 . . . . 70 p C . 15896 1 831 . 1 1 71 71 PRO HA H 1 3.921 0.01 . 1 . . . . 71 p HA . 15896 1 832 . 1 1 71 71 PRO HB2 H 1 1.858 0.01 . 2 . . . . 71 p HB2 . 15896 1 833 . 1 1 71 71 PRO HB3 H 1 1.745 0.01 . 2 . . . . 71 p HB3 . 15896 1 834 . 1 1 71 71 PRO HD2 H 1 3.515 0.01 . 2 . . . . 71 p HD2 . 15896 1 835 . 1 1 71 71 PRO HD3 H 1 3.31 0.01 . 2 . . . . 71 p HD3 . 15896 1 836 . 1 1 71 71 PRO HG2 H 1 1.316 0.01 . 2 . . . . 71 p HG2 . 15896 1 837 . 1 1 71 71 PRO HG3 H 1 1.977 0.01 . 2 . . . . 71 p HG3 . 15896 1 838 . 1 1 71 71 PRO CA C 13 62.6 0.2 . 1 . . . . 71 p CA . 15896 1 839 . 1 1 71 71 PRO CB C 13 31.286 0.2 . 1 . . . . 71 p CB . 15896 1 840 . 1 1 71 71 PRO CD C 13 49.956 0.2 . 1 . . . . 71 p CD . 15896 1 841 . 1 1 71 71 PRO CG C 13 26.637 0.2 . 1 . . . . 71 p CG . 15896 1 842 . 1 1 72 72 LYS H H 1 8.238 0.01 . 1 . . . . 72 k HN . 15896 1 843 . 1 1 72 72 LYS HA H 1 4.034 0.01 . 1 . . . . 72 k HA . 15896 1 844 . 1 1 72 72 LYS HB2 H 1 1.838 0.01 . 2 . . . . 72 k HB2 . 15896 1 845 . 1 1 72 72 LYS HB3 H 1 1.927 0.01 . 2 . . . . 72 k HB3 . 15896 1 846 . 1 1 72 72 LYS HD2 H 1 1.449 0.01 . 2 . . . . 72 k QD . 15896 1 847 . 1 1 72 72 LYS HD3 H 1 1.449 0.01 . 2 . . . . 72 k QD . 15896 1 848 . 1 1 72 72 LYS HE2 H 1 2.82 0.01 . 2 . . . . 72 k QE . 15896 1 849 . 1 1 72 72 LYS HE3 H 1 2.82 0.01 . 2 . . . . 72 k QE . 15896 1 850 . 1 1 72 72 LYS HG2 H 1 1.295 0.01 . 2 . . . . 72 k HG2 . 15896 1 851 . 1 1 72 72 LYS HG3 H 1 1.112 0.01 . 2 . . . . 72 k HG3 . 15896 1 852 . 1 1 72 72 LYS C C 13 175.603 0.2 . 1 . . . . 72 k C . 15896 1 853 . 1 1 72 72 LYS CA C 13 56.18 0.2 . 1 . . . . 72 k CA . 15896 1 854 . 1 1 72 72 LYS CB C 13 28.157 0.2 . 1 . . . . 72 k CB . 15896 1 855 . 1 1 72 72 LYS CD C 13 27.301 0.2 . 1 . . . . 72 k CD . 15896 1 856 . 1 1 72 72 LYS CE C 13 41.728 0.2 . 1 . . . . 72 k CE . 15896 1 857 . 1 1 72 72 LYS CG C 13 23.94 0.2 . 1 . . . . 72 k CG . 15896 1 858 . 1 1 72 72 LYS N N 15 120.21 0.2 . 1 . . . . 72 k N . 15896 1 859 . 1 1 73 73 GLY H H 1 7.96 0.01 . 1 . . . . 73 g HN . 15896 1 860 . 1 1 73 73 GLY HA2 H 1 3.411 0.01 . . . . . . 73 g HA1 . 15896 1 861 . 1 1 73 73 GLY HA3 H 1 4.446 0.01 . 2 . . . . 73 g HA2 . 15896 1 862 . 1 1 73 73 GLY C C 13 171.385 0.2 . 1 . . . . 73 g C . 15896 1 863 . 1 1 73 73 GLY CA C 13 43.727 0.2 . 1 . . . . 73 g CA . 15896 1 864 . 1 1 73 73 GLY N N 15 107.163 0.2 . 1 . . . . 73 g N . 15896 1 865 . 1 1 74 74 ARG H H 1 8.237 0.01 . 1 . . . . 74 r HN . 15896 1 866 . 1 1 74 74 ARG HA H 1 5.316 0.01 . 1 . . . . 74 r HA . 15896 1 867 . 1 1 74 74 ARG HB2 H 1 1.681 0.01 . 2 . . . . 74 r HB2 . 15896 1 868 . 1 1 74 74 ARG HB3 H 1 1.542 0.01 . 2 . . . . 74 r HB3 . 15896 1 869 . 1 1 74 74 ARG HD2 H 1 3.054 0.01 . 2 . . . . 74 r HD2 . 15896 1 870 . 1 1 74 74 ARG HD3 H 1 2.981 0.01 . 2 . . . . 74 r HD3 . 15896 1 871 . 1 1 74 74 ARG HG2 H 1 1.299 0.01 . 2 . . . . 74 r HG2 . 15896 1 872 . 1 1 74 74 ARG HG3 H 1 1.347 0.01 . 2 . . . . 74 r HG3 . 15896 1 873 . 1 1 74 74 ARG C C 13 174.135 0.2 . 1 . . . . 74 r C . 15896 1 874 . 1 1 74 74 ARG CA C 13 53.748 0.2 . 1 . . . . 74 r CA . 15896 1 875 . 1 1 74 74 ARG CB C 13 32.891 0.2 . 1 . . . . 74 r CB . 15896 1 876 . 1 1 74 74 ARG CD C 13 42.813 0.2 . 1 . . . . 74 r CD . 15896 1 877 . 1 1 74 74 ARG CG C 13 25.177 0.2 . 1 . . . . 74 r CG . 15896 1 878 . 1 1 74 74 ARG N N 15 116.55 0.2 . 1 . . . . 74 r N . 15896 1 879 . 1 1 75 75 VAL H H 1 8.854 0.01 . 1 . . . . 75 v HN . 15896 1 880 . 1 1 75 75 VAL HA H 1 4.43 0.01 . 1 . . . . 75 v HA . 15896 1 881 . 1 1 75 75 VAL HB H 1 1.853 0.01 . 1 . . . . 75 v HB . 15896 1 882 . 1 1 75 75 VAL HG11 H 1 0.965 0.01 . . . . . . 75 v QG1 . 15896 1 883 . 1 1 75 75 VAL HG12 H 1 0.965 0.01 . . . . . . 75 v QG1 . 15896 1 884 . 1 1 75 75 VAL HG13 H 1 0.965 0.01 . . . . . . 75 v QG1 . 15896 1 885 . 1 1 75 75 VAL HG21 H 1 0.856 0.01 . . . . . . 75 v QG2 . 15896 1 886 . 1 1 75 75 VAL HG22 H 1 0.856 0.01 . . . . . . 75 v QG2 . 15896 1 887 . 1 1 75 75 VAL HG23 H 1 0.856 0.01 . . . . . . 75 v QG2 . 15896 1 888 . 1 1 75 75 VAL C C 13 172.291 0.2 . 1 . . . . 75 v C . 15896 1 889 . 1 1 75 75 VAL CA C 13 60.247 0.2 . 1 . . . . 75 v CA . 15896 1 890 . 1 1 75 75 VAL CB C 13 34.656 0.2 . 1 . . . . 75 v CB . 15896 1 891 . 1 1 75 75 VAL CG1 C 13 21.1 0.2 . 2 . . . . 75 v CG1 . 15896 1 892 . 1 1 75 75 VAL CG2 C 13 20.262 0.2 . 2 . . . . 75 v CG2 . 15896 1 893 . 1 1 75 75 VAL N N 15 120.236 0.2 . 1 . . . . 75 v N . 15896 1 894 . 1 1 76 76 GLU H H 1 8.647 0.01 . 1 . . . . 76 e HN . 15896 1 895 . 1 1 76 76 GLU HA H 1 4.631 0.01 . 1 . . . . 76 e HA . 15896 1 896 . 1 1 76 76 GLU HB2 H 1 1.92 0.01 . 2 . . . . 76 e HB2 . 15896 1 897 . 1 1 76 76 GLU HB3 H 1 1.81 0.01 . 2 . . . . 76 e HB3 . 15896 1 898 . 1 1 76 76 GLU HG2 H 1 2.118 0.01 . 2 . . . . 76 e HG2 . 15896 1 899 . 1 1 76 76 GLU HG3 H 1 2.143 0.01 . 2 . . . . 76 e HG3 . 15896 1 900 . 1 1 76 76 GLU C C 13 173.791 0.2 . 1 . . . . 76 e C . 15896 1 901 . 1 1 76 76 GLU CA C 13 54.673 0.2 . 1 . . . . 76 e CA . 15896 1 902 . 1 1 76 76 GLU CB C 13 30.362 0.2 . 1 . . . . 76 e CB . 15896 1 903 . 1 1 76 76 GLU CG C 13 35.837 0.2 . 1 . . . . 76 e CG . 15896 1 904 . 1 1 76 76 GLU N N 15 125.595 0.2 . 1 . . . . 76 e N . 15896 1 905 . 1 1 77 77 LEU H H 1 8.965 0.01 . 1 . . . . 77 l HN . 15896 1 906 . 1 1 77 77 LEU HA H 1 4.781 0.01 . 1 . . . . 77 l HA . 15896 1 907 . 1 1 77 77 LEU HB2 H 1 2.224 0.01 . 2 . . . . 77 l HB2 . 15896 1 908 . 1 1 77 77 LEU HB3 H 1 1.728 0.01 . 2 . . . . 77 l HB3 . 15896 1 909 . 1 1 77 77 LEU HD11 H 1 0.577 0.01 . . . . . . 77 l QD1 . 15896 1 910 . 1 1 77 77 LEU HD12 H 1 0.577 0.01 . . . . . . 77 l QD1 . 15896 1 911 . 1 1 77 77 LEU HD13 H 1 0.577 0.01 . . . . . . 77 l QD1 . 15896 1 912 . 1 1 77 77 LEU HD21 H 1 0.033 0.01 . . . . . . 77 l QD2 . 15896 1 913 . 1 1 77 77 LEU HD22 H 1 0.033 0.01 . . . . . . 77 l QD2 . 15896 1 914 . 1 1 77 77 LEU HD23 H 1 0.033 0.01 . . . . . . 77 l QD2 . 15896 1 915 . 1 1 77 77 LEU HG H 1 1.226 0.01 . 1 . . . . 77 l HG . 15896 1 916 . 1 1 77 77 LEU C C 13 175.353 0.2 . 1 . . . . 77 l C . 15896 1 917 . 1 1 77 77 LEU CA C 13 56.211 0.2 . 1 . . . . 77 l CA . 15896 1 918 . 1 1 77 77 LEU CB C 13 39.787 0.2 . 1 . . . . 77 l CB . 15896 1 919 . 1 1 77 77 LEU CD1 C 13 23.568 0.2 . 2 . . . . 77 l CD1 . 15896 1 920 . 1 1 77 77 LEU CD2 C 13 25.279 0.2 . 2 . . . . 77 l CD2 . 15896 1 921 . 1 1 77 77 LEU CG C 13 28.7 0.2 . 1 . . . . 77 l CG . 15896 1 922 . 1 1 77 77 LEU N N 15 129.683 0.2 . 1 . . . . 77 l N . 15896 1 923 . 1 1 78 78 LYS H H 1 8.586 0.01 . 1 . . . . 78 k HN . 15896 1 924 . 1 1 78 78 LYS HB2 H 1 1.654 0.01 . 2 . . . . 78 k HB2 . 15896 1 925 . 1 1 78 78 LYS HB3 H 1 1.571 0.01 . 2 . . . . 78 k HB3 . 15896 1 926 . 1 1 78 78 LYS C C 13 172.9 0.2 . 1 . . . . 78 k C . 15896 1 927 . 1 1 78 78 LYS CA C 13 52.793 0.2 . 1 . . . . 78 k CA . 15896 1 928 . 1 1 78 78 LYS CB C 13 32.681 0.2 . 1 . . . . 78 k CB . 15896 1 929 . 1 1 78 78 LYS CE C 13 41.292 0.2 . 1 . . . . 78 k CE . 15896 1 930 . 1 1 78 78 LYS N N 15 121.609 0.2 . 1 . . . . 78 k N . 15896 1 931 . 1 1 79 79 PRO C C 13 174.1 0.2 . 1 . . . . 79 p C . 15896 1 932 . 1 1 80 80 GLY HA2 H 1 4.111 0.01 . . . . . . 80 g HA1 . 15896 1 933 . 1 1 80 80 GLY HA3 H 1 3.481 0.01 . 2 . . . . 80 g HA2 . 15896 1 934 . 1 1 80 80 GLY C C 13 172 0.2 . 1 . . . . 80 g C . 15896 1 935 . 1 1 80 80 GLY CA C 13 44.361 0.2 . 1 . . . . 80 g CA . 15896 1 936 . 1 1 81 81 GLY H H 1 8.315 0.01 . 1 . . . . 81 g HN . 15896 1 937 . 1 1 81 81 GLY HA2 H 1 3.7 0.01 . . . . . . 81 g HA1 . 15896 1 938 . 1 1 81 81 GLY HA3 H 1 4.664 0.01 . 2 . . . . 81 g HA2 . 15896 1 939 . 1 1 81 81 GLY C C 13 175.916 0.2 . 1 . . . . 81 g C . 15896 1 940 . 1 1 81 81 GLY CA C 13 43.383 0.2 . 1 . . . . 81 g CA . 15896 1 941 . 1 1 81 81 GLY N N 15 109.989 0.2 . 1 . . . . 81 g N . 15896 1 942 . 1 1 82 82 TYR H H 1 9.768 0.01 . 1 . . . . 82 y HN . 15896 1 943 . 1 1 82 82 TYR HA H 1 5.37 0.01 . 1 . . . . 82 y HA . 15896 1 944 . 1 1 82 82 TYR HB2 H 1 2.742 0.01 . 2 . . . . 82 y HB2 . 15896 1 945 . 1 1 82 82 TYR HB3 H 1 2.795 0.01 . 2 . . . . 82 y HB3 . 15896 1 946 . 1 1 82 82 TYR HD1 H 1 7.186 0.01 . 3 . . . . 82 y QD . 15896 1 947 . 1 1 82 82 TYR HD2 H 1 7.186 0.01 . 3 . . . . 82 y QD . 15896 1 948 . 1 1 82 82 TYR HE1 H 1 6.854 0.01 . 3 . . . . 82 y QE . 15896 1 949 . 1 1 82 82 TYR HE2 H 1 6.854 0.01 . 3 . . . . 82 y QE . 15896 1 950 . 1 1 82 82 TYR C C 13 174.01 0.2 . 1 . . . . 82 y C . 15896 1 951 . 1 1 82 82 TYR CA C 13 57.726 0.2 . 1 . . . . 82 y CA . 15896 1 952 . 1 1 82 82 TYR CB C 13 38.731 0.2 . 1 . . . . 82 y CB . 15896 1 953 . 1 1 82 82 TYR CD1 C 13 132.196 0.2 . 3 . . . . 82 y CD1 . 15896 1 954 . 1 1 82 82 TYR CD2 C 13 131.569 0.2 . 3 . . . . 82 y CD2 . 15896 1 955 . 1 1 82 82 TYR CE1 C 13 117.62 0.2 . 3 . . . . 82 y CE1 . 15896 1 956 . 1 1 82 82 TYR N N 15 129.894 0.2 . 1 . . . . 82 y N . 15896 1 957 . 1 1 83 83 HIS H H 1 8.606 0.01 . 1 . . . . 83 h HN . 15896 1 958 . 1 1 83 83 HIS HA H 1 4.468 0.01 . 1 . . . . 83 h HA . 15896 1 959 . 1 1 83 83 HIS HB2 H 1 3.388 0.01 . 2 . . . . 83 h HB2 . 15896 1 960 . 1 1 83 83 HIS HB3 H 1 2.654 0.01 . 2 . . . . 83 h HB3 . 15896 1 961 . 1 1 83 83 HIS HD2 H 1 6.308 0.01 . 1 . . . . 83 h HD2 . 15896 1 962 . 1 1 83 83 HIS HE1 H 1 7.421 0.01 . 1 . . . . 83 h HE1 . 15896 1 963 . 1 1 83 83 HIS C C 13 171.542 0.2 . 1 . . . . 83 h C . 15896 1 964 . 1 1 83 83 HIS CA C 13 55.489 0.2 . 1 . . . . 83 h CA . 15896 1 965 . 1 1 83 83 HIS CB C 13 28.9 0.2 . 1 . . . . 83 h CB . 15896 1 966 . 1 1 83 83 HIS CD2 C 13 126.45 0.2 . 1 . . . . 83 h CD2 . 15896 1 967 . 1 1 83 83 HIS CE1 C 13 113.263 0.2 . 1 . . . . 83 h CE1 . 15896 1 968 . 1 1 83 83 HIS N N 15 110.808 0.2 . 1 . . . . 83 h N . 15896 1 969 . 1 1 84 84 PHE H H 1 8.276 0.01 . 1 . . . . 84 f HN . 15896 1 970 . 1 1 84 84 PHE HA H 1 4.787 0.01 . 1 . . . . 84 f HA . 15896 1 971 . 1 1 84 84 PHE HB2 H 1 2.415 0.01 . 2 . . . . 84 f HB2 . 15896 1 972 . 1 1 84 84 PHE HB3 H 1 2.349 0.01 . 2 . . . . 84 f HB3 . 15896 1 973 . 1 1 84 84 PHE HD1 H 1 6.596 0.01 . 3 . . . . 84 f QD . 15896 1 974 . 1 1 84 84 PHE HD2 H 1 6.596 0.01 . 3 . . . . 84 f QD . 15896 1 975 . 1 1 84 84 PHE HE1 H 1 6.715 0.01 . 3 . . . . 84 f QE . 15896 1 976 . 1 1 84 84 PHE HE2 H 1 6.715 0.01 . 3 . . . . 84 f QE . 15896 1 977 . 1 1 84 84 PHE C C 13 174.916 0.2 . 1 . . . . 84 f C . 15896 1 978 . 1 1 84 84 PHE CA C 13 56.297 0.2 . 1 . . . . 84 f CA . 15896 1 979 . 1 1 84 84 PHE CB C 13 39.431 0.2 . 1 . . . . 84 f CB . 15896 1 980 . 1 1 84 84 PHE N N 15 116.761 0.2 . 1 . . . . 84 f N . 15896 1 981 . 1 1 85 85 MET H H 1 9.377 0.01 . 1 . . . . 85 m HN . 15896 1 982 . 1 1 85 85 MET HA H 1 4.973 0.01 . 1 . . . . 85 m HA . 15896 1 983 . 1 1 85 85 MET HB2 H 1 1.541 0.01 . 2 . . . . 85 m HB2 . 15896 1 984 . 1 1 85 85 MET HB3 H 1 -0.056 0.01 . 2 . . . . 85 m HB3 . 15896 1 985 . 1 1 85 85 MET HE1 H 1 1.718 0.01 . . . . . . 85 m QE . 15896 1 986 . 1 1 85 85 MET HE2 H 1 1.718 0.01 . . . . . . 85 m QE . 15896 1 987 . 1 1 85 85 MET HE3 H 1 1.718 0.01 . . . . . . 85 m QE . 15896 1 988 . 1 1 85 85 MET HG2 H 1 2.716 0.01 . 2 . . . . 85 m HG2 . 15896 1 989 . 1 1 85 85 MET HG3 H 1 1.879 0.01 . 2 . . . . 85 m HG3 . 15896 1 990 . 1 1 85 85 MET C C 13 173.291 0.2 . 1 . . . . 85 m C . 15896 1 991 . 1 1 85 85 MET CA C 13 52.114 0.2 . 1 . . . . 85 m CA . 15896 1 992 . 1 1 85 85 MET CB C 13 31.697 0.2 . 1 . . . . 85 m CB . 15896 1 993 . 1 1 85 85 MET CE C 13 14.195 0.2 . 1 . . . . 85 m CE . 15896 1 994 . 1 1 85 85 MET CG C 13 35.777 0.2 . 1 . . . . 85 m CG . 15896 1 995 . 1 1 85 85 MET N N 15 124.955 0.2 . 1 . . . . 85 m N . 15896 1 996 . 1 1 86 86 LEU H H 1 9.534 0.01 . 1 . . . . 86 l HN . 15896 1 997 . 1 1 86 86 LEU HA H 1 4.163 0.01 . 1 . . . . 86 l HA . 15896 1 998 . 1 1 86 86 LEU HB2 H 1 1.055 0.01 . 2 . . . . 86 l HB2 . 15896 1 999 . 1 1 86 86 LEU HB3 H 1 1.575 0.01 . 2 . . . . 86 l HB3 . 15896 1 1000 . 1 1 86 86 LEU HD11 H 1 0.429 0.01 . . . . . . 86 l QD1 . 15896 1 1001 . 1 1 86 86 LEU HD12 H 1 0.429 0.01 . . . . . . 86 l QD1 . 15896 1 1002 . 1 1 86 86 LEU HD13 H 1 0.429 0.01 . . . . . . 86 l QD1 . 15896 1 1003 . 1 1 86 86 LEU HD21 H 1 0.465 0.01 . . . . . . 86 l QD2 . 15896 1 1004 . 1 1 86 86 LEU HD22 H 1 0.465 0.01 . . . . . . 86 l QD2 . 15896 1 1005 . 1 1 86 86 LEU HD23 H 1 0.465 0.01 . . . . . . 86 l QD2 . 15896 1 1006 . 1 1 86 86 LEU HG H 1 1.327 0.01 . 1 . . . . 86 l HG . 15896 1 1007 . 1 1 86 86 LEU C C 13 173.822 0.2 . 1 . . . . 86 l C . 15896 1 1008 . 1 1 86 86 LEU CA C 13 54.643 0.2 . 1 . . . . 86 l CA . 15896 1 1009 . 1 1 86 86 LEU CB C 13 39.847 0.2 . 1 . . . . 86 l CB . 15896 1 1010 . 1 1 86 86 LEU CD1 C 13 24.807 0.2 . 2 . . . . 86 l CD1 . 15896 1 1011 . 1 1 86 86 LEU CD2 C 13 23.666 0.2 . 2 . . . . 86 l CD2 . 15896 1 1012 . 1 1 86 86 LEU CG C 13 28.131 0.2 . 1 . . . . 86 l CG . 15896 1 1013 . 1 1 86 86 LEU N N 15 131.177 0.2 . 1 . . . . 86 l N . 15896 1 1014 . 1 1 87 87 LEU H H 1 8.721 0.01 . 1 . . . . 87 l HN . 15896 1 1015 . 1 1 87 87 LEU HA H 1 4.844 0.01 . 1 . . . . 87 l HA . 15896 1 1016 . 1 1 87 87 LEU HB2 H 1 1.509 0.01 . 2 . . . . 87 l HB2 . 15896 1 1017 . 1 1 87 87 LEU HB3 H 1 1.173 0.01 . 2 . . . . 87 l HB3 . 15896 1 1018 . 1 1 87 87 LEU HD11 H 1 0.622 0.01 . . . . . . 87 l QD1 . 15896 1 1019 . 1 1 87 87 LEU HD12 H 1 0.622 0.01 . . . . . . 87 l QD1 . 15896 1 1020 . 1 1 87 87 LEU HD13 H 1 0.622 0.01 . . . . . . 87 l QD1 . 15896 1 1021 . 1 1 87 87 LEU HD21 H 1 0.525 0.01 . . . . . . 87 l QD2 . 15896 1 1022 . 1 1 87 87 LEU HD22 H 1 0.525 0.01 . . . . . . 87 l QD2 . 15896 1 1023 . 1 1 87 87 LEU HD23 H 1 0.525 0.01 . . . . . . 87 l QD2 . 15896 1 1024 . 1 1 87 87 LEU HG H 1 0.646 0.01 . 1 . . . . 87 l HG . 15896 1 1025 . 1 1 87 87 LEU C C 13 176.134 0.2 . 1 . . . . 87 l C . 15896 1 1026 . 1 1 87 87 LEU CA C 13 52.3 0.2 . 1 . . . . 87 l CA . 15896 1 1027 . 1 1 87 87 LEU CB C 13 41.845 0.2 . 1 . . . . 87 l CB . 15896 1 1028 . 1 1 87 87 LEU CD1 C 13 25.023 0.2 . 2 . . . . 87 l CD1 . 15896 1 1029 . 1 1 87 87 LEU CD2 C 13 23.174 0.2 . 2 . . . . 87 l CD2 . 15896 1 1030 . 1 1 87 87 LEU CG C 13 25.271 0.2 . 1 . . . . 87 l CG . 15896 1 1031 . 1 1 87 87 LEU N N 15 124.327 0.2 . 1 . . . . 87 l N . 15896 1 1032 . 1 1 88 88 GLY H H 1 8.136 0.01 . 1 . . . . 88 g HN . 15896 1 1033 . 1 1 88 88 GLY HA2 H 1 3.722 0.01 . . . . . . 88 g HA1 . 15896 1 1034 . 1 1 88 88 GLY C C 13 174.947 0.2 . 1 . . . . 88 g C . 15896 1 1035 . 1 1 88 88 GLY CA C 13 46.735 0.2 . 1 . . . . 88 g CA . 15896 1 1036 . 1 1 88 88 GLY N N 15 111.758 0.2 . 1 . . . . 88 g N . 15896 1 1037 . 1 1 89 89 LEU H H 1 8.868 0.01 . 1 . . . . 89 l HN . 15896 1 1038 . 1 1 89 89 LEU HA H 1 4.413 0.01 . 1 . . . . 89 l HA . 15896 1 1039 . 1 1 89 89 LEU HB2 H 1 1.479 0.01 . 2 . . . . 89 l HB2 . 15896 1 1040 . 1 1 89 89 LEU HB3 H 1 1.432 0.01 . 2 . . . . 89 l HB3 . 15896 1 1041 . 1 1 89 89 LEU HD11 H 1 0.675 0.01 . . . . . . 89 l QD1 . 15896 1 1042 . 1 1 89 89 LEU HD12 H 1 0.675 0.01 . . . . . . 89 l QD1 . 15896 1 1043 . 1 1 89 89 LEU HD13 H 1 0.675 0.01 . . . . . . 89 l QD1 . 15896 1 1044 . 1 1 89 89 LEU HD21 H 1 0.597 0.01 . . . . . . 89 l QD2 . 15896 1 1045 . 1 1 89 89 LEU HD22 H 1 0.597 0.01 . . . . . . 89 l QD2 . 15896 1 1046 . 1 1 89 89 LEU HD23 H 1 0.597 0.01 . . . . . . 89 l QD2 . 15896 1 1047 . 1 1 89 89 LEU HG H 1 1.528 0.01 . 1 . . . . 89 l HG . 15896 1 1048 . 1 1 89 89 LEU C C 13 178.852 0.2 . 1 . . . . 89 l C . 15896 1 1049 . 1 1 89 89 LEU CA C 13 54.837 0.2 . 1 . . . . 89 l CA . 15896 1 1050 . 1 1 89 89 LEU CB C 13 41.07 0.2 . 1 . . . . 89 l CB . 15896 1 1051 . 1 1 89 89 LEU CD1 C 13 22.175 0.2 . 2 . . . . 89 l CD1 . 15896 1 1052 . 1 1 89 89 LEU CD2 C 13 24.543 0.2 . 2 . . . . 89 l CD2 . 15896 1 1053 . 1 1 89 89 LEU CG C 13 26.238 0.2 . 1 . . . . 89 l CG . 15896 1 1054 . 1 1 89 89 LEU N N 15 123.124 0.2 . 1 . . . . 89 l N . 15896 1 1055 . 1 1 90 90 LYS H H 1 8.704 0.01 . 1 . . . . 90 k HN . 15896 1 1056 . 1 1 90 90 LYS HA H 1 3.986 0.01 . 1 . . . . 90 k HA . 15896 1 1057 . 1 1 90 90 LYS HB2 H 1 1.927 0.01 . 2 . . . . 90 k HB2 . 15896 1 1058 . 1 1 90 90 LYS HB3 H 1 1.351 0.01 . 2 . . . . 90 k HB3 . 15896 1 1059 . 1 1 90 90 LYS HD2 H 1 1.62 0.01 . 2 . . . . 90 k QD . 15896 1 1060 . 1 1 90 90 LYS HD3 H 1 1.62 0.01 . 2 . . . . 90 k QD . 15896 1 1061 . 1 1 90 90 LYS HE2 H 1 2.72 0.01 . 2 . . . . 90 k HE2 . 15896 1 1062 . 1 1 90 90 LYS HE3 H 1 2.624 0.01 . 2 . . . . 90 k HE3 . 15896 1 1063 . 1 1 90 90 LYS HG2 H 1 1.249 0.01 . 2 . . . . 90 k HG2 . 15896 1 1064 . 1 1 90 90 LYS HG3 H 1 1.327 0.01 . 2 . . . . 90 k HG3 . 15896 1 1065 . 1 1 90 90 LYS C C 13 174.603 0.2 . 1 . . . . 90 k C . 15896 1 1066 . 1 1 90 90 LYS CA C 13 56.333 0.2 . 1 . . . . 90 k CA . 15896 1 1067 . 1 1 90 90 LYS CB C 13 32.466 0.2 . 1 . . . . 90 k CB . 15896 1 1068 . 1 1 90 90 LYS CD C 13 28.071 0.2 . 1 . . . . 90 k CD . 15896 1 1069 . 1 1 90 90 LYS CE C 13 41.313 0.2 . 1 . . . . 90 k CE . 15896 1 1070 . 1 1 90 90 LYS CG C 13 24.955 0.2 . 1 . . . . 90 k CG . 15896 1 1071 . 1 1 90 90 LYS N N 15 121.603 0.2 . 1 . . . . 90 k N . 15896 1 1072 . 1 1 91 91 ARG H H 1 7.665 0.01 . 1 . . . . 91 r HN . 15896 1 1073 . 1 1 91 91 ARG HA H 1 4.592 0.01 . 1 . . . . 91 r HA . 15896 1 1074 . 1 1 91 91 ARG HB2 H 1 1.588 0.01 . 2 . . . . 91 r HB2 . 15896 1 1075 . 1 1 91 91 ARG HB3 H 1 1.895 0.01 . 2 . . . . 91 r HB3 . 15896 1 1076 . 1 1 91 91 ARG HD2 H 1 3.004 0.01 . 2 . . . . 91 r QD . 15896 1 1077 . 1 1 91 91 ARG HD3 H 1 3.004 0.01 . 2 . . . . 91 r QD . 15896 1 1078 . 1 1 91 91 ARG HG2 H 1 1.277 0.01 . 2 . . . . 91 r QG . 15896 1 1079 . 1 1 91 91 ARG HG3 H 1 1.277 0.01 . 2 . . . . 91 r QG . 15896 1 1080 . 1 1 91 91 ARG C C 13 176.3 0.2 . 1 . . . . 91 r C . 15896 1 1081 . 1 1 91 91 ARG CA C 13 52.263 0.2 . 1 . . . . 91 r CA . 15896 1 1082 . 1 1 91 91 ARG CB C 13 28.45 0.2 . 1 . . . . 91 r CB . 15896 1 1083 . 1 1 91 91 ARG CD C 13 42.54 0.2 . 1 . . . . 91 r CD . 15896 1 1084 . 1 1 91 91 ARG CG C 13 24.032 0.2 . 1 . . . . 91 r CG . 15896 1 1085 . 1 1 91 91 ARG N N 15 114.759 0.2 . 1 . . . . 91 r N . 15896 1 1086 . 1 1 92 92 PRO HA H 1 4.265 0.01 . 1 . . . . 92 p HA . 15896 1 1087 . 1 1 92 92 PRO HB2 H 1 2.284 0.01 . 2 . . . . 92 p HB2 . 15896 1 1088 . 1 1 92 92 PRO HB3 H 1 1.679 0.01 . 2 . . . . 92 p HB3 . 15896 1 1089 . 1 1 92 92 PRO HD2 H 1 3.637 0.01 . 2 . . . . 92 p QD . 15896 1 1090 . 1 1 92 92 PRO HD3 H 1 3.637 0.01 . 2 . . . . 92 p QD . 15896 1 1091 . 1 1 92 92 PRO HG2 H 1 1.862 0.01 . 2 . . . . 92 p HG2 . 15896 1 1092 . 1 1 92 92 PRO HG3 H 1 1.986 0.01 . 2 . . . . 92 p HG3 . 15896 1 1093 . 1 1 92 92 PRO C C 13 178 0.2 . 1 . . . . 92 p C . 15896 1 1094 . 1 1 92 92 PRO CA C 13 61.787 0.2 . 1 . . . . 92 p CA . 15896 1 1095 . 1 1 92 92 PRO CB C 13 31.093 0.2 . 1 . . . . 92 p CB . 15896 1 1096 . 1 1 92 92 PRO CD C 13 49.39 0.2 . 1 . . . . 92 p CD . 15896 1 1097 . 1 1 92 92 PRO CG C 13 26.648 0.2 . 1 . . . . 92 p CG . 15896 1 1098 . 1 1 93 93 LEU H H 1 8.407 0.01 . 1 . . . . 93 l HN . 15896 1 1099 . 1 1 93 93 LEU HA H 1 4.391 0.01 . 1 . . . . 93 l HA . 15896 1 1100 . 1 1 93 93 LEU HB2 H 1 1.667 0.01 . 2 . . . . 93 l HB2 . 15896 1 1101 . 1 1 93 93 LEU HB3 H 1 1.262 0.01 . 2 . . . . 93 l HB3 . 15896 1 1102 . 1 1 93 93 LEU HD11 H 1 0.658 0.01 . . . . . . 93 l QD1 . 15896 1 1103 . 1 1 93 93 LEU HD12 H 1 0.658 0.01 . . . . . . 93 l QD1 . 15896 1 1104 . 1 1 93 93 LEU HD13 H 1 0.658 0.01 . . . . . . 93 l QD1 . 15896 1 1105 . 1 1 93 93 LEU HD21 H 1 0.664 0.01 . . . . . . 93 l QD2 . 15896 1 1106 . 1 1 93 93 LEU HD22 H 1 0.664 0.01 . . . . . . 93 l QD2 . 15896 1 1107 . 1 1 93 93 LEU HD23 H 1 0.664 0.01 . . . . . . 93 l QD2 . 15896 1 1108 . 1 1 93 93 LEU HG H 1 1.736 0.01 . 1 . . . . 93 l HG . 15896 1 1109 . 1 1 93 93 LEU C C 13 175.509 0.2 . 1 . . . . 93 l C . 15896 1 1110 . 1 1 93 93 LEU CA C 13 52.975 0.2 . 1 . . . . 93 l CA . 15896 1 1111 . 1 1 93 93 LEU CB C 13 42.471 0.2 . 1 . . . . 93 l CB . 15896 1 1112 . 1 1 93 93 LEU CD1 C 13 20.888 0.2 . 2 . . . . 93 l CD1 . 15896 1 1113 . 1 1 93 93 LEU CD2 C 13 25.571 0.2 . 2 . . . . 93 l CD2 . 15896 1 1114 . 1 1 93 93 LEU CG C 13 25.274 0.2 . 1 . . . . 93 l CG . 15896 1 1115 . 1 1 93 93 LEU N N 15 123.436 0.2 . 1 . . . . 93 l N . 15896 1 1116 . 1 1 94 94 LYS H H 1 8.683 0.01 . 1 . . . . 94 k HN . 15896 1 1117 . 1 1 94 94 LYS HA H 1 4.409 0.01 . 1 . . . . 94 k HA . 15896 1 1118 . 1 1 94 94 LYS HB2 H 1 1.535 0.01 . 2 . . . . 94 k QB . 15896 1 1119 . 1 1 94 94 LYS HB3 H 1 1.535 0.01 . 2 . . . . 94 k QB . 15896 1 1120 . 1 1 94 94 LYS HD2 H 1 1.547 0.01 . 2 . . . . 94 k QD . 15896 1 1121 . 1 1 94 94 LYS HD3 H 1 1.547 0.01 . 2 . . . . 94 k QD . 15896 1 1122 . 1 1 94 94 LYS HE2 H 1 2.888 0.01 . 2 . . . . 94 k QE . 15896 1 1123 . 1 1 94 94 LYS HE3 H 1 2.888 0.01 . 2 . . . . 94 k QE . 15896 1 1124 . 1 1 94 94 LYS HG2 H 1 1.282 0.01 . 2 . . . . 94 k QG . 15896 1 1125 . 1 1 94 94 LYS HG3 H 1 1.282 0.01 . 2 . . . . 94 k QG . 15896 1 1126 . 1 1 94 94 LYS C C 13 174.822 0.2 . 1 . . . . 94 k C . 15896 1 1127 . 1 1 94 94 LYS CA C 13 53.329 0.2 . 1 . . . . 94 k CA . 15896 1 1128 . 1 1 94 94 LYS CB C 13 33.743 0.2 . 1 . . . . 94 k CB . 15896 1 1129 . 1 1 94 94 LYS CD C 13 28.098 0.2 . 1 . . . . 94 k CD . 15896 1 1130 . 1 1 94 94 LYS CE C 13 41.189 0.2 . 1 . . . . 94 k CE . 15896 1 1131 . 1 1 94 94 LYS CG C 13 23.629 0.2 . 1 . . . . 94 k CG . 15896 1 1132 . 1 1 94 94 LYS N N 15 120.703 0.2 . 1 . . . . 94 k N . 15896 1 1133 . 1 1 95 95 ALA H H 1 8.091 0.01 . 1 . . . . 95 a HN . 15896 1 1134 . 1 1 95 95 ALA HA H 1 3.634 0.01 . 1 . . . . 95 a HA . 15896 1 1135 . 1 1 95 95 ALA HB1 H 1 0.952 0.01 . . . . . . 95 a QB . 15896 1 1136 . 1 1 95 95 ALA HB2 H 1 0.952 0.01 . . . . . . 95 a QB . 15896 1 1137 . 1 1 95 95 ALA HB3 H 1 0.952 0.01 . . . . . . 95 a QB . 15896 1 1138 . 1 1 95 95 ALA C C 13 177.79 0.2 . 1 . . . . 95 a C . 15896 1 1139 . 1 1 95 95 ALA CA C 13 52.753 0.2 . 1 . . . . 95 a CA . 15896 1 1140 . 1 1 95 95 ALA CB C 13 16.047 0.2 . 1 . . . . 95 a CB . 15896 1 1141 . 1 1 95 95 ALA N N 15 124.767 0.2 . 1 . . . . 95 a N . 15896 1 1142 . 1 1 96 96 GLY H H 1 8.966 0.01 . 1 . . . . 96 g HN . 15896 1 1143 . 1 1 96 96 GLY HA2 H 1 4.3 0.01 . . . . . . 96 g HA1 . 15896 1 1144 . 1 1 96 96 GLY HA3 H 1 3.698 0.01 . 2 . . . . 96 g HA2 . 15896 1 1145 . 1 1 96 96 GLY C C 13 174.228 0.2 . 1 . . . . 96 g C . 15896 1 1146 . 1 1 96 96 GLY CA C 13 44.117 0.2 . 1 . . . . 96 g CA . 15896 1 1147 . 1 1 96 96 GLY N N 15 111.998 0.2 . 1 . . . . 96 g N . 15896 1 1148 . 1 1 97 97 GLU H H 1 7.688 0.01 . 1 . . . . 97 e HN . 15896 1 1149 . 1 1 97 97 GLU HA H 1 4.453 0.01 . 1 . . . . 97 e HA . 15896 1 1150 . 1 1 97 97 GLU HB2 H 1 2.258 0.01 . 2 . . . . 97 e HB2 . 15896 1 1151 . 1 1 97 97 GLU HB3 H 1 1.896 0.01 . 2 . . . . 97 e HB3 . 15896 1 1152 . 1 1 97 97 GLU HG2 H 1 2.489 0.01 . 2 . . . . 97 e HG2 . 15896 1 1153 . 1 1 97 97 GLU HG3 H 1 2.021 0.01 . 2 . . . . 97 e HG3 . 15896 1 1154 . 1 1 97 97 GLU C C 13 173.041 0.2 . 1 . . . . 97 e C . 15896 1 1155 . 1 1 97 97 GLU CA C 13 55.049 0.2 . 1 . . . . 97 e CA . 15896 1 1156 . 1 1 97 97 GLU CB C 13 29.857 0.2 . 1 . . . . 97 e CB . 15896 1 1157 . 1 1 97 97 GLU CG C 13 35.999 0.2 . 1 . . . . 97 e CG . 15896 1 1158 . 1 1 97 97 GLU N N 15 119.659 0.2 . 1 . . . . 97 e N . 15896 1 1159 . 1 1 98 98 GLU H H 1 8.231 0.01 . 1 . . . . 98 e HN . 15896 1 1160 . 1 1 98 98 GLU HA H 1 4.883 0.01 . 1 . . . . 98 e HA . 15896 1 1161 . 1 1 98 98 GLU HB2 H 1 1.613 0.01 . 2 . . . . 98 e QB . 15896 1 1162 . 1 1 98 98 GLU HB3 H 1 1.613 0.01 . 2 . . . . 98 e QB . 15896 1 1163 . 1 1 98 98 GLU HG2 H 1 2.096 0.01 . 2 . . . . 98 e HG2 . 15896 1 1164 . 1 1 98 98 GLU HG3 H 1 1.914 0.01 . 2 . . . . 98 e HG3 . 15896 1 1165 . 1 1 98 98 GLU C C 13 175.353 0.2 . 1 . . . . 98 e C . 15896 1 1166 . 1 1 98 98 GLU CA C 13 54.279 0.2 . 1 . . . . 98 e CA . 15896 1 1167 . 1 1 98 98 GLU CB C 13 31.379 0.2 . 1 . . . . 98 e CB . 15896 1 1168 . 1 1 98 98 GLU CG C 13 35.412 0.2 . 1 . . . . 98 e CG . 15896 1 1169 . 1 1 98 98 GLU N N 15 118.083 0.2 . 1 . . . . 98 e N . 15896 1 1170 . 1 1 99 99 VAL H H 1 9.238 0.01 . 1 . . . . 99 v HN . 15896 1 1171 . 1 1 99 99 VAL HA H 1 4.094 0.01 . 1 . . . . 99 v HA . 15896 1 1172 . 1 1 99 99 VAL HB H 1 1.73 0.01 . 1 . . . . 99 v HB . 15896 1 1173 . 1 1 99 99 VAL HG11 H 1 0.576 0.01 . . . . . . 99 v QG1 . 15896 1 1174 . 1 1 99 99 VAL HG12 H 1 0.576 0.01 . . . . . . 99 v QG1 . 15896 1 1175 . 1 1 99 99 VAL HG13 H 1 0.576 0.01 . . . . . . 99 v QG1 . 15896 1 1176 . 1 1 99 99 VAL HG21 H 1 0.632 0.01 . . . . . . 99 v QG2 . 15896 1 1177 . 1 1 99 99 VAL HG22 H 1 0.632 0.01 . . . . . . 99 v QG2 . 15896 1 1178 . 1 1 99 99 VAL HG23 H 1 0.632 0.01 . . . . . . 99 v QG2 . 15896 1 1179 . 1 1 99 99 VAL C C 13 173.01 0.2 . 1 . . . . 99 v C . 15896 1 1180 . 1 1 99 99 VAL CA C 13 60.1 0.2 . 1 . . . . 99 v CA . 15896 1 1181 . 1 1 99 99 VAL CB C 13 34.068 0.2 . 1 . . . . 99 v CB . 15896 1 1182 . 1 1 99 99 VAL CG1 C 13 20.203 0.2 . 2 . . . . 99 v CG1 . 15896 1 1183 . 1 1 99 99 VAL CG2 C 13 20.707 0.2 . 2 . . . . 99 v CG2 . 15896 1 1184 . 1 1 99 99 VAL N N 15 123.032 0.2 . 1 . . . . 99 v N . 15896 1 1185 . 1 1 100 100 GLU H H 1 8.372 0.01 . 1 . . . . 100 e HN . 15896 1 1186 . 1 1 100 100 GLU HA H 1 4.705 0.01 . 1 . . . . 100 e HA . 15896 1 1187 . 1 1 100 100 GLU HB2 H 1 1.784 0.01 . 2 . . . . 100 e QB . 15896 1 1188 . 1 1 100 100 GLU HB3 H 1 1.784 0.01 . 2 . . . . 100 e QB . 15896 1 1189 . 1 1 100 100 GLU C C 13 173.76 0.2 . 1 . . . . 100 e C . 15896 1 1190 . 1 1 100 100 GLU CA C 13 54.411 0.2 . 1 . . . . 100 e CA . 15896 1 1191 . 1 1 100 100 GLU CB C 13 30.139 0.2 . 1 . . . . 100 e CB . 15896 1 1192 . 1 1 100 100 GLU N N 15 126.148 0.2 . 1 . . . . 100 e N . 15896 1 1193 . 1 1 101 101 LEU H H 1 9.067 0.01 . 1 . . . . 101 l HN . 15896 1 1194 . 1 1 101 101 LEU HA H 1 4.689 0.01 . 1 . . . . 101 l HA . 15896 1 1195 . 1 1 101 101 LEU HB2 H 1 0.836 0.01 . 2 . . . . 101 l HB2 . 15896 1 1196 . 1 1 101 101 LEU HB3 H 1 1.245 0.01 . 2 . . . . 101 l HB3 . 15896 1 1197 . 1 1 101 101 LEU HD11 H 1 -0.064 0.01 . . . . . . 101 l QD1 . 15896 1 1198 . 1 1 101 101 LEU HD12 H 1 -0.064 0.01 . . . . . . 101 l QD1 . 15896 1 1199 . 1 1 101 101 LEU HD13 H 1 -0.064 0.01 . . . . . . 101 l QD1 . 15896 1 1200 . 1 1 101 101 LEU HD21 H 1 0.222 0.01 . . . . . . 101 l QD2 . 15896 1 1201 . 1 1 101 101 LEU HD22 H 1 0.222 0.01 . . . . . . 101 l QD2 . 15896 1 1202 . 1 1 101 101 LEU HD23 H 1 0.222 0.01 . . . . . . 101 l QD2 . 15896 1 1203 . 1 1 101 101 LEU HG H 1 0.989 0.01 . 1 . . . . 101 l HG . 15896 1 1204 . 1 1 101 101 LEU C C 13 172.916 0.2 . 1 . . . . 101 l C . 15896 1 1205 . 1 1 101 101 LEU CA C 13 53.309 0.2 . 1 . . . . 101 l CA . 15896 1 1206 . 1 1 101 101 LEU CB C 13 45.16 0.2 . 1 . . . . 101 l CB . 15896 1 1207 . 1 1 101 101 LEU CD1 C 13 24.592 0.2 . 2 . . . . 101 l CD1 . 15896 1 1208 . 1 1 101 101 LEU CD2 C 13 23.75 0.2 . 2 . . . . 101 l CD2 . 15896 1 1209 . 1 1 101 101 LEU CG C 13 26.055 0.2 . 1 . . . . 101 l CG . 15896 1 1210 . 1 1 101 101 LEU N N 15 127.448 0.2 . 1 . . . . 101 l N . 15896 1 1211 . 1 1 102 102 ASP H H 1 8.791 0.01 . 1 . . . . 102 d HN . 15896 1 1212 . 1 1 102 102 ASP HA H 1 5.023 0.01 . 1 . . . . 102 d HA . 15896 1 1213 . 1 1 102 102 ASP HB2 H 1 2.41 0.01 . 2 . . . . 102 d HB2 . 15896 1 1214 . 1 1 102 102 ASP HB3 H 1 2.038 0.01 . 2 . . . . 102 d HB3 . 15896 1 1215 . 1 1 102 102 ASP C C 13 174.26 0.2 . 1 . . . . 102 d C . 15896 1 1216 . 1 1 102 102 ASP CA C 13 51.946 0.2 . 1 . . . . 102 d CA . 15896 1 1217 . 1 1 102 102 ASP CB C 13 40.228 0.2 . 1 . . . . 102 d CB . 15896 1 1218 . 1 1 102 102 ASP N N 15 124.278 0.2 . 1 . . . . 102 d N . 15896 1 1219 . 1 1 103 103 LEU H H 1 9.213 0.01 . 1 . . . . 103 l HN . 15896 1 1220 . 1 1 103 103 LEU HA H 1 4.139 0.01 . 1 . . . . 103 l HA . 15896 1 1221 . 1 1 103 103 LEU HB2 H 1 1.955 0.01 . 2 . . . . 103 l HB2 . 15896 1 1222 . 1 1 103 103 LEU HB3 H 1 0.99 0.01 . 2 . . . . 103 l HB3 . 15896 1 1223 . 1 1 103 103 LEU HD11 H 1 0.78 0.01 . . . . . . 103 l QD1 . 15896 1 1224 . 1 1 103 103 LEU HD12 H 1 0.78 0.01 . . . . . . 103 l QD1 . 15896 1 1225 . 1 1 103 103 LEU HD13 H 1 0.78 0.01 . . . . . . 103 l QD1 . 15896 1 1226 . 1 1 103 103 LEU HD21 H 1 0.575 0.01 . . . . . . 103 l QD2 . 15896 1 1227 . 1 1 103 103 LEU HD22 H 1 0.575 0.01 . . . . . . 103 l QD2 . 15896 1 1228 . 1 1 103 103 LEU HD23 H 1 0.575 0.01 . . . . . . 103 l QD2 . 15896 1 1229 . 1 1 103 103 LEU HG H 1 1.672 0.01 . 1 . . . . 103 l HG . 15896 1 1230 . 1 1 103 103 LEU C C 13 173.791 0.2 . 1 . . . . 103 l C . 15896 1 1231 . 1 1 103 103 LEU CA C 13 53.709 0.2 . 1 . . . . 103 l CA . 15896 1 1232 . 1 1 103 103 LEU CB C 13 41.539 0.2 . 1 . . . . 103 l CB . 15896 1 1233 . 1 1 103 103 LEU CD1 C 13 24.872 0.2 . 2 . . . . 103 l CD1 . 15896 1 1234 . 1 1 103 103 LEU CD2 C 13 23.855 0.2 . 2 . . . . 103 l CD2 . 15896 1 1235 . 1 1 103 103 LEU CG C 13 26.942 0.2 . 1 . . . . 103 l CG . 15896 1 1236 . 1 1 103 103 LEU N N 15 123.521 0.2 . 1 . . . . 103 l N . 15896 1 1237 . 1 1 104 104 LEU H H 1 8.029 0.01 . 1 . . . . 104 l HN . 15896 1 1238 . 1 1 104 104 LEU HA H 1 4.632 0.01 . 1 . . . . 104 l HA . 15896 1 1239 . 1 1 104 104 LEU HB2 H 1 1.091 0.01 . 2 . . . . 104 l HB2 . 15896 1 1240 . 1 1 104 104 LEU HB3 H 1 1.215 0.01 . 2 . . . . 104 l HB3 . 15896 1 1241 . 1 1 104 104 LEU HD11 H 1 0.562 0.01 . . . . . . 104 l QD1 . 15896 1 1242 . 1 1 104 104 LEU HD12 H 1 0.562 0.01 . . . . . . 104 l QD1 . 15896 1 1243 . 1 1 104 104 LEU HD13 H 1 0.562 0.01 . . . . . . 104 l QD1 . 15896 1 1244 . 1 1 104 104 LEU HD21 H 1 0.581 0.01 . . . . . . 104 l QD2 . 15896 1 1245 . 1 1 104 104 LEU HD22 H 1 0.581 0.01 . . . . . . 104 l QD2 . 15896 1 1246 . 1 1 104 104 LEU HD23 H 1 0.581 0.01 . . . . . . 104 l QD2 . 15896 1 1247 . 1 1 104 104 LEU HG H 1 1.277 0.01 . 1 . . . . 104 l HG . 15896 1 1248 . 1 1 104 104 LEU C C 13 174.447 0.2 . 1 . . . . 104 l C . 15896 1 1249 . 1 1 104 104 LEU CA C 13 52.942 0.2 . 1 . . . . 104 l CA . 15896 1 1250 . 1 1 104 104 LEU CB C 13 41.229 0.2 . 1 . . . . 104 l CB . 15896 1 1251 . 1 1 104 104 LEU CD1 C 13 23.956 0.2 . 2 . . . . 104 l CD1 . 15896 1 1252 . 1 1 104 104 LEU CD2 C 13 22.984 0.2 . 2 . . . . 104 l CD2 . 15896 1 1253 . 1 1 104 104 LEU CG C 13 26.236 0.2 . 1 . . . . 104 l CG . 15896 1 1254 . 1 1 104 104 LEU N N 15 121.079 0.2 . 1 . . . . 104 l N . 15896 1 1255 . 1 1 105 105 PHE H H 1 8.456 0.01 . 1 . . . . 105 f HN . 15896 1 1256 . 1 1 105 105 PHE HA H 1 5.421 0.01 . 1 . . . . 105 f HA . 15896 1 1257 . 1 1 105 105 PHE HB2 H 1 3.204 0.01 . 2 . . . . 105 f HB2 . 15896 1 1258 . 1 1 105 105 PHE HB3 H 1 2.776 0.01 . 2 . . . . 105 f HB3 . 15896 1 1259 . 1 1 105 105 PHE HD1 H 1 6.93 0.01 . 3 . . . . 105 f QD . 15896 1 1260 . 1 1 105 105 PHE HD2 H 1 6.93 0.01 . 3 . . . . 105 f QD . 15896 1 1261 . 1 1 105 105 PHE HE1 H 1 6.995 0.01 . 3 . . . . 105 f QE . 15896 1 1262 . 1 1 105 105 PHE HE2 H 1 6.995 0.01 . 3 . . . . 105 f QE . 15896 1 1263 . 1 1 105 105 PHE C C 13 176.165 0.2 . 1 . . . . 105 f C . 15896 1 1264 . 1 1 105 105 PHE CA C 13 55.048 0.2 . 1 . . . . 105 f CA . 15896 1 1265 . 1 1 105 105 PHE CB C 13 40.411 0.2 . 1 . . . . 105 f CB . 15896 1 1266 . 1 1 105 105 PHE N N 15 120.487 0.2 . 1 . . . . 105 f N . 15896 1 1267 . 1 1 106 106 ALA H H 1 8.861 0.01 . 1 . . . . 106 a HN . 15896 1 1268 . 1 1 106 106 ALA HA H 1 4.148 0.01 . 1 . . . . 106 a HA . 15896 1 1269 . 1 1 106 106 ALA HB1 H 1 1.367 0.01 . . . . . . 106 a QB . 15896 1 1270 . 1 1 106 106 ALA HB2 H 1 1.367 0.01 . . . . . . 106 a QB . 15896 1 1271 . 1 1 106 106 ALA HB3 H 1 1.367 0.01 . . . . . . 106 a QB . 15896 1 1272 . 1 1 106 106 ALA CA C 13 52.657 0.2 . 1 . . . . 106 a CA . 15896 1 1273 . 1 1 106 106 ALA CB C 13 17.661 0.2 . 1 . . . . 106 a CB . 15896 1 1274 . 1 1 106 106 ALA N N 15 125.011 0.2 . 1 . . . . 106 a N . 15896 1 1275 . 1 1 107 107 GLY HA2 H 1 4.141 0.01 . . . . . . 107 g HA1 . 15896 1 1276 . 1 1 107 107 GLY HA3 H 1 3.679 0.01 . 2 . . . . 107 g HA2 . 15896 1 1277 . 1 1 107 107 GLY CA C 13 44.403 0.2 . 1 . . . . 107 g CA . 15896 1 1278 . 1 1 108 108 GLY H H 1 8.017 0.01 . 1 . . . . 108 g HN . 15896 1 1279 . 1 1 108 108 GLY HA2 H 1 3.713 0.01 . . . . . . 108 g HA1 . 15896 1 1280 . 1 1 108 108 GLY HA3 H 1 4.211 0.01 . 2 . . . . 108 g HA2 . 15896 1 1281 . 1 1 108 108 GLY C C 13 173.51 0.2 . 1 . . . . 108 g C . 15896 1 1282 . 1 1 108 108 GLY CA C 13 44.75 0.2 . 1 . . . . 108 g CA . 15896 1 1283 . 1 1 108 108 GLY N N 15 106.91 0.2 . 1 . . . . 108 g N . 15896 1 1284 . 1 1 109 109 LYS H H 1 7.356 0.01 . 1 . . . . 109 k HN . 15896 1 1285 . 1 1 109 109 LYS HA H 1 4.274 0.01 . 1 . . . . 109 k HA . 15896 1 1286 . 1 1 109 109 LYS HB2 H 1 1.591 0.01 . 2 . . . . 109 k HB2 . 15896 1 1287 . 1 1 109 109 LYS HB3 H 1 1.675 0.01 . 2 . . . . 109 k HB3 . 15896 1 1288 . 1 1 109 109 LYS HD2 H 1 1.362 0.01 . 2 . . . . 109 k HD2 . 15896 1 1289 . 1 1 109 109 LYS HD3 H 1 1.409 0.01 . 2 . . . . 109 k HD3 . 15896 1 1290 . 1 1 109 109 LYS HE2 H 1 2.713 0.01 . 2 . . . . 109 k HE2 . 15896 1 1291 . 1 1 109 109 LYS HE3 H 1 2.77 0.01 . 2 . . . . 109 k HE3 . 15896 1 1292 . 1 1 109 109 LYS HG2 H 1 1.175 0.01 . 2 . . . . 109 k HG2 . 15896 1 1293 . 1 1 109 109 LYS HG3 H 1 1.344 0.01 . 2 . . . . 109 k HG3 . 15896 1 1294 . 1 1 109 109 LYS C C 13 174.103 0.2 . 1 . . . . 109 k C . 15896 1 1295 . 1 1 109 109 LYS CA C 13 55.836 0.2 . 1 . . . . 109 k CA . 15896 1 1296 . 1 1 109 109 LYS CB C 13 32.237 0.2 . 1 . . . . 109 k CB . 15896 1 1297 . 1 1 109 109 LYS CD C 13 27.941 0.2 . 1 . . . . 109 k CD . 15896 1 1298 . 1 1 109 109 LYS CE C 13 41.044 0.2 . 1 . . . . 109 k CE . 15896 1 1299 . 1 1 109 109 LYS CG C 13 24 0.2 . 1 . . . . 109 k CG . 15896 1 1300 . 1 1 109 109 LYS N N 15 121.343 0.2 . 1 . . . . 109 k N . 15896 1 1301 . 1 1 110 110 VAL H H 1 8.195 0.01 . 1 . . . . 110 v HN . 15896 1 1302 . 1 1 110 110 VAL HA H 1 5.214 0.01 . 1 . . . . 110 v HA . 15896 1 1303 . 1 1 110 110 VAL HB H 1 1.792 0.01 . 1 . . . . 110 v HB . 15896 1 1304 . 1 1 110 110 VAL HG11 H 1 0.819 0.01 . . . . . . 110 v QG1 . 15896 1 1305 . 1 1 110 110 VAL HG12 H 1 0.819 0.01 . . . . . . 110 v QG1 . 15896 1 1306 . 1 1 110 110 VAL HG13 H 1 0.819 0.01 . . . . . . 110 v QG1 . 15896 1 1307 . 1 1 110 110 VAL HG21 H 1 0.693 0.01 . . . . . . 110 v QG2 . 15896 1 1308 . 1 1 110 110 VAL HG22 H 1 0.693 0.01 . . . . . . 110 v QG2 . 15896 1 1309 . 1 1 110 110 VAL HG23 H 1 0.693 0.01 . . . . . . 110 v QG2 . 15896 1 1310 . 1 1 110 110 VAL C C 13 175.228 0.2 . 1 . . . . 110 v C . 15896 1 1311 . 1 1 110 110 VAL CA C 13 59.637 0.2 . 1 . . . . 110 v CA . 15896 1 1312 . 1 1 110 110 VAL CB C 13 34.126 0.2 . 1 . . . . 110 v CB . 15896 1 1313 . 1 1 110 110 VAL CG1 C 13 19.982 0.2 . 2 . . . . 110 v CG1 . 15896 1 1314 . 1 1 110 110 VAL CG2 C 13 19.973 0.2 . 2 . . . . 110 v CG2 . 15896 1 1315 . 1 1 110 110 VAL N N 15 124.067 0.2 . 1 . . . . 110 v N . 15896 1 1316 . 1 1 111 111 LEU H H 1 8.986 0.01 . 1 . . . . 111 l HN . 15896 1 1317 . 1 1 111 111 LEU HA H 1 4.739 0.01 . 1 . . . . 111 l HA . 15896 1 1318 . 1 1 111 111 LEU HB2 H 1 1.801 0.01 . 2 . . . . 111 l HB2 . 15896 1 1319 . 1 1 111 111 LEU HB3 H 1 1.442 0.01 . 2 . . . . 111 l HB3 . 15896 1 1320 . 1 1 111 111 LEU HD11 H 1 0.83 0.01 . . . . . . 111 l QD1 . 15896 1 1321 . 1 1 111 111 LEU HD12 H 1 0.83 0.01 . . . . . . 111 l QD1 . 15896 1 1322 . 1 1 111 111 LEU HD13 H 1 0.83 0.01 . . . . . . 111 l QD1 . 15896 1 1323 . 1 1 111 111 LEU HD21 H 1 0.829 0.01 . . . . . . 111 l QD2 . 15896 1 1324 . 1 1 111 111 LEU HD22 H 1 0.829 0.01 . . . . . . 111 l QD2 . 15896 1 1325 . 1 1 111 111 LEU HD23 H 1 0.829 0.01 . . . . . . 111 l QD2 . 15896 1 1326 . 1 1 111 111 LEU HG H 1 1.439 0.01 . 1 . . . . 111 l HG . 15896 1 1327 . 1 1 111 111 LEU C C 13 173.447 0.2 . 1 . . . . 111 l C . 15896 1 1328 . 1 1 111 111 LEU CA C 13 52.839 0.2 . 1 . . . . 111 l CA . 15896 1 1329 . 1 1 111 111 LEU CB C 13 45.866 0.2 . 1 . . . . 111 l CB . 15896 1 1330 . 1 1 111 111 LEU CD1 C 13 24.036 0.2 . 2 . . . . 111 l CD1 . 15896 1 1331 . 1 1 111 111 LEU CD2 C 13 22.932 0.2 . 2 . . . . 111 l CD2 . 15896 1 1332 . 1 1 111 111 LEU CG C 13 26.059 0.2 . 1 . . . . 111 l CG . 15896 1 1333 . 1 1 111 111 LEU N N 15 128.897 0.2 . 1 . . . . 111 l N . 15896 1 1334 . 1 1 112 112 LYS H H 1 8.599 0.01 . 1 . . . . 112 k HN . 15896 1 1335 . 1 1 112 112 LYS HA H 1 4.996 0.01 . 1 . . . . 112 k HA . 15896 1 1336 . 1 1 112 112 LYS HB2 H 1 1.653 0.01 . 2 . . . . 112 k HB2 . 15896 1 1337 . 1 1 112 112 LYS HB3 H 1 1.581 0.01 . 2 . . . . 112 k HB3 . 15896 1 1338 . 1 1 112 112 LYS HD2 H 1 1.506 0.01 . 2 . . . . 112 k QD . 15896 1 1339 . 1 1 112 112 LYS HD3 H 1 1.506 0.01 . 2 . . . . 112 k QD . 15896 1 1340 . 1 1 112 112 LYS HE2 H 1 2.833 0.01 . 2 . . . . 112 k QE . 15896 1 1341 . 1 1 112 112 LYS HE3 H 1 2.833 0.01 . 2 . . . . 112 k QE . 15896 1 1342 . 1 1 112 112 LYS HG2 H 1 1.197 0.01 . 2 . . . . 112 k HG2 . 15896 1 1343 . 1 1 112 112 LYS HG3 H 1 1.326 0.01 . 2 . . . . 112 k HG3 . 15896 1 1344 . 1 1 112 112 LYS C C 13 175.322 0.2 . 1 . . . . 112 k C . 15896 1 1345 . 1 1 112 112 LYS CA C 13 55.435 0.2 . 1 . . . . 112 k CA . 15896 1 1346 . 1 1 112 112 LYS CB C 13 31.699 0.2 . 1 . . . . 112 k CB . 15896 1 1347 . 1 1 112 112 LYS CD C 13 27.699 0.2 . 1 . . . . 112 k CD . 15896 1 1348 . 1 1 112 112 LYS CE C 13 39.794 0.2 . 1 . . . . 112 k CE . 15896 1 1349 . 1 1 112 112 LYS CG C 13 22.555 0.2 . 1 . . . . 112 k CG . 15896 1 1350 . 1 1 112 112 LYS N N 15 127.974 0.2 . 1 . . . . 112 k N . 15896 1 1351 . 1 1 113 113 VAL H H 1 9.166 0.01 . 1 . . . . 113 v HN . 15896 1 1352 . 1 1 113 113 VAL HA H 1 4.657 0.01 . 1 . . . . 113 v HA . 15896 1 1353 . 1 1 113 113 VAL HB H 1 2.011 0.01 . 1 . . . . 113 v HB . 15896 1 1354 . 1 1 113 113 VAL HG11 H 1 0.849 0.01 . . . . . . 113 v QG1 . 15896 1 1355 . 1 1 113 113 VAL HG12 H 1 0.849 0.01 . . . . . . 113 v QG1 . 15896 1 1356 . 1 1 113 113 VAL HG13 H 1 0.849 0.01 . . . . . . 113 v QG1 . 15896 1 1357 . 1 1 113 113 VAL HG21 H 1 0.792 0.01 . . . . . . 113 v QG2 . 15896 1 1358 . 1 1 113 113 VAL HG22 H 1 0.792 0.01 . . . . . . 113 v QG2 . 15896 1 1359 . 1 1 113 113 VAL HG23 H 1 0.792 0.01 . . . . . . 113 v QG2 . 15896 1 1360 . 1 1 113 113 VAL C C 13 172.416 0.2 . 1 . . . . 113 v C . 15896 1 1361 . 1 1 113 113 VAL CA C 13 58.683 0.2 . 1 . . . . 113 v CA . 15896 1 1362 . 1 1 113 113 VAL CB C 13 34.422 0.2 . 1 . . . . 113 v CB . 15896 1 1363 . 1 1 113 113 VAL CG1 C 13 20.489 0.2 . 2 . . . . 113 v CG1 . 15896 1 1364 . 1 1 113 113 VAL CG2 C 13 19.266 0.2 . 2 . . . . 113 v CG2 . 15896 1 1365 . 1 1 113 113 VAL N N 15 122.909 0.2 . 1 . . . . 113 v N . 15896 1 1366 . 1 1 114 114 VAL H H 1 8.083 0.01 . 1 . . . . 114 v HN . 15896 1 1367 . 1 1 114 114 VAL HA H 1 4.691 0.01 . 1 . . . . 114 v HA . 15896 1 1368 . 1 1 114 114 VAL HB H 1 1.769 0.01 . 1 . . . . 114 v HB . 15896 1 1369 . 1 1 114 114 VAL HG11 H 1 0.662 0.01 . . . . . . 114 v QG1 . 15896 1 1370 . 1 1 114 114 VAL HG12 H 1 0.662 0.01 . . . . . . 114 v QG1 . 15896 1 1371 . 1 1 114 114 VAL HG13 H 1 0.662 0.01 . . . . . . 114 v QG1 . 15896 1 1372 . 1 1 114 114 VAL HG21 H 1 0.759 0.01 . . . . . . 114 v QG2 . 15896 1 1373 . 1 1 114 114 VAL HG22 H 1 0.759 0.01 . . . . . . 114 v QG2 . 15896 1 1374 . 1 1 114 114 VAL HG23 H 1 0.759 0.01 . . . . . . 114 v QG2 . 15896 1 1375 . 1 1 114 114 VAL C C 13 174.541 0.2 . 1 . . . . 114 v C . 15896 1 1376 . 1 1 114 114 VAL CA C 13 60.433 0.2 . 1 . . . . 114 v CA . 15896 1 1377 . 1 1 114 114 VAL CB C 13 32.294 0.2 . 1 . . . . 114 v CB . 15896 1 1378 . 1 1 114 114 VAL CG1 C 13 20.586 0.2 . 2 . . . . 114 v CG1 . 15896 1 1379 . 1 1 114 114 VAL CG2 C 13 19.753 0.2 . 2 . . . . 114 v CG2 . 15896 1 1380 . 1 1 114 114 VAL N N 15 122.559 0.2 . 1 . . . . 114 v N . 15896 1 1381 . 1 1 115 115 LEU H H 1 9.016 0.01 . 1 . . . . 115 l HN . 15896 1 1382 . 1 1 115 115 LEU HA H 1 5.037 0.01 . 1 . . . . 115 l HA . 15896 1 1383 . 1 1 115 115 LEU HB2 H 1 1.543 0.01 . 2 . . . . 115 l HB2 . 15896 1 1384 . 1 1 115 115 LEU HB3 H 1 1.099 0.01 . 2 . . . . 115 l HB3 . 15896 1 1385 . 1 1 115 115 LEU HD11 H 1 0.756 0.01 . . . . . . 115 l QD1 . 15896 1 1386 . 1 1 115 115 LEU HD12 H 1 0.756 0.01 . . . . . . 115 l QD1 . 15896 1 1387 . 1 1 115 115 LEU HD13 H 1 0.756 0.01 . . . . . . 115 l QD1 . 15896 1 1388 . 1 1 115 115 LEU HD21 H 1 0.553 0.01 . . . . . . 115 l QD2 . 15896 1 1389 . 1 1 115 115 LEU HD22 H 1 0.553 0.01 . . . . . . 115 l QD2 . 15896 1 1390 . 1 1 115 115 LEU HD23 H 1 0.553 0.01 . . . . . . 115 l QD2 . 15896 1 1391 . 1 1 115 115 LEU HG H 1 1.413 0.01 . 1 . . . . 115 l HG . 15896 1 1392 . 1 1 115 115 LEU CA C 13 49.704 0.2 . 1 . . . . 115 l CA . 15896 1 1393 . 1 1 115 115 LEU CB C 13 44.78 0.2 . 1 . . . . 115 l CB . 15896 1 1394 . 1 1 115 115 LEU CD1 C 13 22.262 0.2 . 2 . . . . 115 l CD1 . 15896 1 1395 . 1 1 115 115 LEU CD2 C 13 25.268 0.2 . 2 . . . . 115 l CD2 . 15896 1 1396 . 1 1 115 115 LEU CG C 13 25.69 0.2 . 1 . . . . 115 l CG . 15896 1 1397 . 1 1 115 115 LEU N N 15 126.348 0.2 . 1 . . . . 115 l N . 15896 1 1398 . 1 1 116 116 PRO HA H 1 4.951 0.01 . 1 . . . . 116 p HA . 15896 1 1399 . 1 1 116 116 PRO HB2 H 1 2.187 0.01 . 2 . . . . 116 p HB2 . 15896 1 1400 . 1 1 116 116 PRO HB3 H 1 1.954 0.01 . 2 . . . . 116 p HB3 . 15896 1 1401 . 1 1 116 116 PRO HD2 H 1 4.164 0.01 . 2 . . . . 116 p HD2 . 15896 1 1402 . 1 1 116 116 PRO HD3 H 1 3.714 0.01 . 2 . . . . 116 p HD3 . 15896 1 1403 . 1 1 116 116 PRO HG2 H 1 2.405 0.01 . 2 . . . . 116 p HG2 . 15896 1 1404 . 1 1 116 116 PRO HG3 H 1 2.136 0.01 . 2 . . . . 116 p HG3 . 15896 1 1405 . 1 1 116 116 PRO CA C 13 60.98 0.2 . 1 . . . . 116 p CA . 15896 1 1406 . 1 1 116 116 PRO CB C 13 31.53 0.2 . 1 . . . . 116 p CB . 15896 1 1407 . 1 1 116 116 PRO CD C 13 49.706 0.2 . 1 . . . . 116 p CD . 15896 1 1408 . 1 1 116 116 PRO CG C 13 26.296 0.2 . 1 . . . . 116 p CG . 15896 1 1409 . 1 1 117 117 VAL H H 1 8.52 0.01 . 1 . . . . 117 v HN . 15896 1 1410 . 1 1 117 117 VAL HA H 1 5.029 0.01 . 1 . . . . 117 v HA . 15896 1 1411 . 1 1 117 117 VAL HB H 1 2.257 0.01 . 1 . . . . 117 v HB . 15896 1 1412 . 1 1 117 117 VAL HG11 H 1 0.82 0.01 . . . . . . 117 v QG1 . 15896 1 1413 . 1 1 117 117 VAL HG12 H 1 0.82 0.01 . . . . . . 117 v QG1 . 15896 1 1414 . 1 1 117 117 VAL HG13 H 1 0.82 0.01 . . . . . . 117 v QG1 . 15896 1 1415 . 1 1 117 117 VAL HG21 H 1 0.769 0.01 . . . . . . 117 v QG2 . 15896 1 1416 . 1 1 117 117 VAL HG22 H 1 0.769 0.01 . . . . . . 117 v QG2 . 15896 1 1417 . 1 1 117 117 VAL HG23 H 1 0.769 0.01 . . . . . . 117 v QG2 . 15896 1 1418 . 1 1 117 117 VAL C C 13 176.447 0.2 . 1 . . . . 117 v C . 15896 1 1419 . 1 1 117 117 VAL CA C 13 60.308 0.2 . 1 . . . . 117 v CA . 15896 1 1420 . 1 1 117 117 VAL CB C 13 30.041 0.2 . 1 . . . . 117 v CB . 15896 1 1421 . 1 1 117 117 VAL CG1 C 13 21.385 0.2 . 2 . . . . 117 v CG1 . 15896 1 1422 . 1 1 117 117 VAL CG2 C 13 21.722 0.2 . 2 . . . . 117 v CG2 . 15896 1 1423 . 1 1 117 117 VAL N N 15 121.451 0.2 . 1 . . . . 117 v N . 15896 1 1424 . 1 1 118 118 GLU H H 1 9.355 0.01 . 1 . . . . 118 e HN . 15896 1 1425 . 1 1 118 118 GLU HA H 1 4.834 0.01 . 1 . . . . 118 e HA . 15896 1 1426 . 1 1 118 118 GLU HB2 H 1 1.855 0.01 . 2 . . . . 118 e QB . 15896 1 1427 . 1 1 118 118 GLU HB3 H 1 1.855 0.01 . 2 . . . . 118 e QB . 15896 1 1428 . 1 1 118 118 GLU HG2 H 1 2.165 0.01 . 2 . . . . 118 e QG . 15896 1 1429 . 1 1 118 118 GLU HG3 H 1 2.165 0.01 . 2 . . . . 118 e QG . 15896 1 1430 . 1 1 118 118 GLU C C 13 174.697 0.2 . 1 . . . . 118 e C . 15896 1 1431 . 1 1 118 118 GLU CA C 13 54.075 0.2 . 1 . . . . 118 e CA . 15896 1 1432 . 1 1 118 118 GLU CB C 13 34.032 0.2 . 1 . . . . 118 e CB . 15896 1 1433 . 1 1 118 118 GLU CG C 13 35.341 0.2 . 1 . . . . 118 e CG . 15896 1 1434 . 1 1 118 118 GLU N N 15 126.86 0.2 . 1 . . . . 118 e N . 15896 1 1435 . 1 1 119 119 ALA H H 1 9.107 0.01 . 1 . . . . 119 a HN . 15896 1 1436 . 1 1 119 119 ALA HA H 1 5.01 0.01 . 1 . . . . 119 a HA . 15896 1 1437 . 1 1 119 119 ALA HB1 H 1 1.268 0.01 . . . . . . 119 a QB . 15896 1 1438 . 1 1 119 119 ALA HB2 H 1 1.268 0.01 . . . . . . 119 a QB . 15896 1 1439 . 1 1 119 119 ALA HB3 H 1 1.268 0.01 . . . . . . 119 a QB . 15896 1 1440 . 1 1 119 119 ALA C C 13 174.353 0.2 . 1 . . . . 119 a C . 15896 1 1441 . 1 1 119 119 ALA CA C 13 50.021 0.2 . 1 . . . . 119 a CA . 15896 1 1442 . 1 1 119 119 ALA CB C 13 16.005 0.2 . 1 . . . . 119 a CB . 15896 1 1443 . 1 1 119 119 ALA N N 15 130.118 0.2 . 1 . . . . 119 a N . 15896 1 1444 . 1 1 120 120 ARG H H 1 7.924 0.01 . 1 . . . . 120 r HN . 15896 1 1445 . 1 1 120 120 ARG HA H 1 4.114 0.01 . 1 . . . . 120 r HA . 15896 1 1446 . 1 1 120 120 ARG HB2 H 1 1.402 0.01 . 2 . . . . 120 r HB2 . 15896 1 1447 . 1 1 120 120 ARG HB3 H 1 1.323 0.01 . 2 . . . . 120 r HB3 . 15896 1 1448 . 1 1 120 120 ARG HD2 H 1 2.274 0.01 . 2 . . . . 120 r HD2 . 15896 1 1449 . 1 1 120 120 ARG HD3 H 1 2.127 0.01 . 2 . . . . 120 r HD3 . 15896 1 1450 . 1 1 120 120 ARG HG2 H 1 0.823 0.01 . 2 . . . . 120 r HG2 . 15896 1 1451 . 1 1 120 120 ARG HG3 H 1 0.641 0.01 . 2 . . . . 120 r HG3 . 15896 1 1452 . 1 1 120 120 ARG CA C 13 56.273 0.2 . 1 . . . . 120 r CA . 15896 1 1453 . 1 1 120 120 ARG CB C 13 30.38 0.2 . 1 . . . . 120 r CB . 15896 1 1454 . 1 1 120 120 ARG CD C 13 42.211 0.2 . 1 . . . . 120 r CD . 15896 1 1455 . 1 1 120 120 ARG CG C 13 24.99 0.2 . 1 . . . . 120 r CG . 15896 1 1456 . 1 1 120 120 ARG N N 15 126.711 0.2 . 1 . . . . 120 r N . 15896 1 stop_ save_