data_6866 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6866 _Entry.Title ; chemical shift assignments of the human sorting nexin 22 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-19 _Entry.Accession_date 2005-10-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jikui Song . . . 6866 2 John Markley . L. . 6866 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6866 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 6866 '15N chemical shifts' 112 6866 '1H chemical shifts' 736 6866 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 3 . . 2009-07-01 2005-10-19 update BMRB 'added time domain data' 6866 2 . . 2007-11-14 2005-10-19 update BMRB 'complete entry citation' 6866 1 . . 2005-10-24 2005-10-19 original author 'original release' 6866 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6866 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17400918 _Citation.Full_citation . _Citation.Title 'Solution structure of human sorting nexin 22' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 807 _Citation.Page_last 814 _Citation.Year 2007 _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 Jikui Song . . . 6866 1 2 Qin Zhao . . . 6866 1 3 Carrie 'Loushin Newman' . . . 6866 1 4 Dmitriy Vinarov . A. . 6866 1 5 John Markley . L. . 6866 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6866 _Assembly.ID 1 _Assembly.Name 'Sorting nexin 22' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'Sorting nexin 22' 1 $sorting_nexin_22 . . yes native no no . . . 6866 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sorting_nexin_22 _Entity.Sf_category entity _Entity.Sf_framecode sorting_nexin_22 _Entity.Entry_ID 6866 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'sorting nexin 22' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHHHHHHLELEVHIPSVGPE AEGPRQSPEKSHMVFRVEVL CSGRRHTVPRRYSEFHALHK RIKKLYKVPDFPSKRLPNWR TRGLEQRRQGLEAYIQGILY LNQEVPKELLEFLRLRHFPT DPKASNWG ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ETT . "Solution Structure Of Human Sorting Nexin 22 Px Domain" . . . . . 100.00 128 100.00 100.00 8.64e-87 . . . . 6866 1 2 no DBJ BAB14776 . "unnamed protein product [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 2.22e-79 . . . . 6866 1 3 no GB AAH19655 . "SNX22 protein [Homo sapiens]" . . . . . 92.97 120 100.00 100.00 4.63e-80 . . . . 6866 1 4 no GB AAK98767 . "sorting nexin SNX22 [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 1.75e-79 . . . . 6866 1 5 no GB AIC60763 . "SNX22, partial [synthetic construct]" . . . . . 92.97 120 100.00 100.00 4.63e-80 . . . . 6866 1 6 no GB EAW77667 . "sorting nexin 22, isoform CRA_a [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 1.75e-79 . . . . 6866 1 7 no GB EAW77668 . "sorting nexin 22, isoform CRA_a [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 1.75e-79 . . . . 6866 1 8 no REF NP_001244637 . "sorting nexin-22 [Macaca mulatta]" . . . . . 92.97 193 98.32 99.16 3.69e-78 . . . . 6866 1 9 no REF NP_079074 . "sorting nexin-22 [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 1.75e-79 . . . . 6866 1 10 no REF XP_001174192 . "PREDICTED: sorting nexin-22 isoform X1 [Pan troglodytes]" . . . . . 92.97 193 100.00 100.00 1.99e-79 . . . . 6866 1 11 no REF XP_002825589 . "PREDICTED: sorting nexin-22 [Pongo abelii]" . . . . . 92.97 193 100.00 100.00 1.85e-79 . . . . 6866 1 12 no REF XP_003267142 . "PREDICTED: LOW QUALITY PROTEIN: sorting nexin-22 [Nomascus leucogenys]" . . . . . 92.97 193 97.48 97.48 1.82e-76 . . . . 6866 1 13 no SP Q96L94 . "RecName: Full=Sorting nexin-22 [Homo sapiens]" . . . . . 92.97 193 100.00 100.00 1.75e-79 . . . . 6866 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 . 6866 1 2 . HIS . 6866 1 3 . HIS . 6866 1 4 . HIS . 6866 1 5 . HIS . 6866 1 6 . HIS . 6866 1 7 . HIS . 6866 1 8 . LEU . 6866 1 9 . GLU . 6866 1 10 . LEU . 6866 1 11 . GLU . 6866 1 12 . VAL . 6866 1 13 . HIS . 6866 1 14 . ILE . 6866 1 15 . PRO . 6866 1 16 . SER . 6866 1 17 . VAL . 6866 1 18 . GLY . 6866 1 19 . PRO . 6866 1 20 . GLU . 6866 1 21 . ALA . 6866 1 22 . GLU . 6866 1 23 . GLY . 6866 1 24 . PRO . 6866 1 25 . ARG . 6866 1 26 . GLN . 6866 1 27 . SER . 6866 1 28 . PRO . 6866 1 29 . GLU . 6866 1 30 . LYS . 6866 1 31 . SER . 6866 1 32 . HIS . 6866 1 33 . MET . 6866 1 34 . VAL . 6866 1 35 . PHE . 6866 1 36 . ARG . 6866 1 37 . VAL . 6866 1 38 . GLU . 6866 1 39 . VAL . 6866 1 40 . LEU . 6866 1 41 . CYS . 6866 1 42 . SER . 6866 1 43 . GLY . 6866 1 44 . ARG . 6866 1 45 . ARG . 6866 1 46 . HIS . 6866 1 47 . THR . 6866 1 48 . VAL . 6866 1 49 . PRO . 6866 1 50 . ARG . 6866 1 51 . ARG . 6866 1 52 . TYR . 6866 1 53 . SER . 6866 1 54 . GLU . 6866 1 55 . PHE . 6866 1 56 . HIS . 6866 1 57 . ALA . 6866 1 58 . LEU . 6866 1 59 . HIS . 6866 1 60 . LYS . 6866 1 61 . ARG . 6866 1 62 . ILE . 6866 1 63 . LYS . 6866 1 64 . LYS . 6866 1 65 . LEU . 6866 1 66 . TYR . 6866 1 67 . LYS . 6866 1 68 . VAL . 6866 1 69 . PRO . 6866 1 70 . ASP . 6866 1 71 . PHE . 6866 1 72 . PRO . 6866 1 73 . SER . 6866 1 74 . LYS . 6866 1 75 . ARG . 6866 1 76 . LEU . 6866 1 77 . PRO . 6866 1 78 . ASN . 6866 1 79 . TRP . 6866 1 80 . ARG . 6866 1 81 . THR . 6866 1 82 . ARG . 6866 1 83 . GLY . 6866 1 84 . LEU . 6866 1 85 . GLU . 6866 1 86 . GLN . 6866 1 87 . ARG . 6866 1 88 . ARG . 6866 1 89 . GLN . 6866 1 90 . GLY . 6866 1 91 . LEU . 6866 1 92 . GLU . 6866 1 93 . ALA . 6866 1 94 . TYR . 6866 1 95 . ILE . 6866 1 96 . GLN . 6866 1 97 . GLY . 6866 1 98 . ILE . 6866 1 99 . LEU . 6866 1 100 . TYR . 6866 1 101 . LEU . 6866 1 102 . ASN . 6866 1 103 . GLN . 6866 1 104 . GLU . 6866 1 105 . VAL . 6866 1 106 . PRO . 6866 1 107 . LYS . 6866 1 108 . GLU . 6866 1 109 . LEU . 6866 1 110 . LEU . 6866 1 111 . GLU . 6866 1 112 . PHE . 6866 1 113 . LEU . 6866 1 114 . ARG . 6866 1 115 . LEU . 6866 1 116 . ARG . 6866 1 117 . HIS . 6866 1 118 . PHE . 6866 1 119 . PRO . 6866 1 120 . THR . 6866 1 121 . ASP . 6866 1 122 . PRO . 6866 1 123 . LYS . 6866 1 124 . ALA . 6866 1 125 . SER . 6866 1 126 . ASN . 6866 1 127 . TRP . 6866 1 128 . GLY . 6866 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 6866 1 . HIS 2 2 6866 1 . HIS 3 3 6866 1 . HIS 4 4 6866 1 . HIS 5 5 6866 1 . HIS 6 6 6866 1 . HIS 7 7 6866 1 . LEU 8 8 6866 1 . GLU 9 9 6866 1 . LEU 10 10 6866 1 . GLU 11 11 6866 1 . VAL 12 12 6866 1 . HIS 13 13 6866 1 . ILE 14 14 6866 1 . PRO 15 15 6866 1 . SER 16 16 6866 1 . VAL 17 17 6866 1 . GLY 18 18 6866 1 . PRO 19 19 6866 1 . GLU 20 20 6866 1 . ALA 21 21 6866 1 . GLU 22 22 6866 1 . GLY 23 23 6866 1 . PRO 24 24 6866 1 . ARG 25 25 6866 1 . GLN 26 26 6866 1 . SER 27 27 6866 1 . PRO 28 28 6866 1 . GLU 29 29 6866 1 . LYS 30 30 6866 1 . SER 31 31 6866 1 . HIS 32 32 6866 1 . MET 33 33 6866 1 . VAL 34 34 6866 1 . PHE 35 35 6866 1 . ARG 36 36 6866 1 . VAL 37 37 6866 1 . GLU 38 38 6866 1 . VAL 39 39 6866 1 . LEU 40 40 6866 1 . CYS 41 41 6866 1 . SER 42 42 6866 1 . GLY 43 43 6866 1 . ARG 44 44 6866 1 . ARG 45 45 6866 1 . HIS 46 46 6866 1 . THR 47 47 6866 1 . VAL 48 48 6866 1 . PRO 49 49 6866 1 . ARG 50 50 6866 1 . ARG 51 51 6866 1 . TYR 52 52 6866 1 . SER 53 53 6866 1 . GLU 54 54 6866 1 . PHE 55 55 6866 1 . HIS 56 56 6866 1 . ALA 57 57 6866 1 . LEU 58 58 6866 1 . HIS 59 59 6866 1 . LYS 60 60 6866 1 . ARG 61 61 6866 1 . ILE 62 62 6866 1 . LYS 63 63 6866 1 . LYS 64 64 6866 1 . LEU 65 65 6866 1 . TYR 66 66 6866 1 . LYS 67 67 6866 1 . VAL 68 68 6866 1 . PRO 69 69 6866 1 . ASP 70 70 6866 1 . PHE 71 71 6866 1 . PRO 72 72 6866 1 . SER 73 73 6866 1 . LYS 74 74 6866 1 . ARG 75 75 6866 1 . LEU 76 76 6866 1 . PRO 77 77 6866 1 . ASN 78 78 6866 1 . TRP 79 79 6866 1 . ARG 80 80 6866 1 . THR 81 81 6866 1 . ARG 82 82 6866 1 . GLY 83 83 6866 1 . LEU 84 84 6866 1 . GLU 85 85 6866 1 . GLN 86 86 6866 1 . ARG 87 87 6866 1 . ARG 88 88 6866 1 . GLN 89 89 6866 1 . GLY 90 90 6866 1 . LEU 91 91 6866 1 . GLU 92 92 6866 1 . ALA 93 93 6866 1 . TYR 94 94 6866 1 . ILE 95 95 6866 1 . GLN 96 96 6866 1 . GLY 97 97 6866 1 . ILE 98 98 6866 1 . LEU 99 99 6866 1 . TYR 100 100 6866 1 . LEU 101 101 6866 1 . ASN 102 102 6866 1 . GLN 103 103 6866 1 . GLU 104 104 6866 1 . VAL 105 105 6866 1 . PRO 106 106 6866 1 . LYS 107 107 6866 1 . GLU 108 108 6866 1 . LEU 109 109 6866 1 . LEU 110 110 6866 1 . GLU 111 111 6866 1 . PHE 112 112 6866 1 . LEU 113 113 6866 1 . ARG 114 114 6866 1 . LEU 115 115 6866 1 . ARG 116 116 6866 1 . HIS 117 117 6866 1 . PHE 118 118 6866 1 . PRO 119 119 6866 1 . THR 120 120 6866 1 . ASP 121 121 6866 1 . PRO 122 122 6866 1 . LYS 123 123 6866 1 . ALA 124 124 6866 1 . SER 125 125 6866 1 . ASN 126 126 6866 1 . TRP 127 127 6866 1 . GLY 128 128 6866 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6866 _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 $sorting_nexin_22 . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6866 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 6866 _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 $sorting_nexin_22 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6866 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6866 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sorting nexin 22' . . . 1 $sorting_nexin_22 . protein 0.5 . . mM 0.1 . . . 6866 1 2 Bis-Tris . . . . . . buffer 10 . . mM 0.5 . . . 6866 1 3 Arginine . . . . . . additive 50 . . mM 1 . . . 6866 1 4 Glutamate . . . . . . additive 50 . . mM 1 . . . 6866 1 5 DTT . . . . . . 'reducing agent' 10 . . mM 1 . . . 6866 1 6 NaCl . . . . . . salt 100 . . mM 5 . . . 6866 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6866 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6866 1 pressure 1 0.1 atm 6866 1 temperature 298 0.1 K 6866 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6866 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6866 _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 1H,15N-HSQC yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 2 HNCACB yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 3 CBCACONH yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 4 HCCHTOCSY yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 5 HBACONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 6 CCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 7 HCCONH yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 8 HNCO yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 9 HNCA yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 10 HNCOCA yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6866 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H,15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_n15hsqc.fid/' . . . . . . . 6866 1 gNhsqc_2fb.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_n15hsqc.fid/' . . . . . . . 6866 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_n15hsqc.fid/' . . . . . . . 6866 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_n15hsqc.fid/' . . . . . . . 6866 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncacb.fid/' . . . . . . . 6866 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncacb.fid/' . . . . . . . 6866 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncacb.fid/' . . . . . . . 6866 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cbcaconh.fid/' . . . . . . . 6866 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cbcaconh.fid/' . . . . . . . 6866 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cbcaconh.fid/' . . . . . . . 6866 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcchtocsy.fid/' . . . . . . . 6866 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcchtocsy.fid/' . . . . . . . 6866 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcchtocsy.fid/' . . . . . . . 6866 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hbaconh.fid/' . . . . . . . 6866 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hbaconh.fid/' . . . . . . . 6866 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hbaconh.fid/' . . . . . . . 6866 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cconh.fid/' . . . . . . . 6866 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cconh.fid/' . . . . . . . 6866 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_cconh.fid/' . . . . . . . 6866 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcconh.fid/' . . . . . . . 6866 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcconh.fid/' . . . . . . . 6866 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hcconh.fid/' . . . . . . . 6866 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnco.fid/' . . . . . . . 6866 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnco.fid/' . . . . . . . 6866 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnco.fid/' . . . . . . . 6866 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnca.fid/' . . . . . . . 6866 9 gtocsyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnca.fid/' . . . . . . . 6866 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnca.fid/' . . . . . . . 6866 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hnca.fid/' . . . . . . . 6866 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6866 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncoca.fid/' . . . . . . . 6866 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncoca.fid/' . . . . . . . 6866 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6866/timedomain_data/BC019_hncoca.fid/' . . . . . . . 6866 10 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6866 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6866 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6866 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6866 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H,15N-HSQC 1 $sample_1 isotropic 6866 1 2 HNCACB 1 $sample_1 isotropic 6866 1 3 CBCACONH 1 $sample_1 isotropic 6866 1 4 HCCHTOCSY 1 $sample_1 isotropic 6866 1 5 HBACONH 1 $sample_1 isotropic 6866 1 6 CCONH 1 $sample_1 isotropic 6866 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 7 7 HIS HA H 1 4.623 0.05 . 1 . . . . 7 H HA . 6866 1 2 . 1 1 7 7 HIS HB2 H 1 3.137 0.05 . 1 . . . . 7 H QB . 6866 1 3 . 1 1 7 7 HIS HB3 H 1 3.137 0.05 . 1 . . . . 7 H QB . 6866 1 4 . 1 1 7 7 HIS C C 13 174.747 0.15 . 1 . . . . 7 H C . 6866 1 5 . 1 1 7 7 HIS CA C 13 56.189 0.15 . 1 . . . . 7 H CA . 6866 1 6 . 1 1 7 7 HIS CB C 13 30.028 0.15 . 1 . . . . 7 H CB . 6866 1 7 . 1 1 8 8 LEU H H 1 8.283 0.05 . 1 . . . . 8 L H . 6866 1 8 . 1 1 8 8 LEU HA H 1 4.249 0.05 . 1 . . . . 8 L HA . 6866 1 9 . 1 1 8 8 LEU HB2 H 1 1.557 0.05 . 1 . . . . 8 L HB2 . 6866 1 10 . 1 1 8 8 LEU C C 13 176.700 0.15 . 1 . . . . 8 L C . 6866 1 11 . 1 1 8 8 LEU CA C 13 55.498 0.15 . 1 . . . . 8 L CA . 6866 1 12 . 1 1 8 8 LEU CB C 13 42.568 0.15 . 1 . . . . 8 L CB . 6866 1 13 . 1 1 8 8 LEU N N 15 122.916 0.15 . 1 . . . . 8 L N . 6866 1 14 . 1 1 9 9 GLU H H 1 8.623 0.05 . 1 . . . . 9 E H . 6866 1 15 . 1 1 9 9 GLU HA H 1 4.311 0.05 . 1 . . . . 9 E HA . 6866 1 16 . 1 1 9 9 GLU C C 13 174.811 0.15 . 1 . . . . 9 E C . 6866 1 17 . 1 1 9 9 GLU CA C 13 56.377 0.15 . 1 . . . . 9 E CA . 6866 1 18 . 1 1 9 9 GLU CB C 13 29.557 0.15 . 1 . . . . 9 E CB . 6866 1 19 . 1 1 9 9 GLU CG C 13 36.309 0.15 . 1 . . . . 9 E CG . 6866 1 20 . 1 1 9 9 GLU N N 15 121.512 0.15 . 1 . . . . 9 E N . 6866 1 21 . 1 1 10 10 LEU H H 1 7.853 0.05 . 1 . . . . 10 L H . 6866 1 22 . 1 1 10 10 LEU HA H 1 5.225 0.05 . 1 . . . . 10 L HA . 6866 1 23 . 1 1 10 10 LEU HB2 H 1 1.441 0.05 . 2 . . . . 10 L HB2 . 6866 1 24 . 1 1 10 10 LEU HB3 H 1 1.582 0.05 . 2 . . . . 10 L HB3 . 6866 1 25 . 1 1 10 10 LEU HD11 H 1 0.691 0.05 . 2 . . . . 10 L QD1 . 6866 1 26 . 1 1 10 10 LEU HD12 H 1 0.691 0.05 . 2 . . . . 10 L QD1 . 6866 1 27 . 1 1 10 10 LEU HD13 H 1 0.691 0.05 . 2 . . . . 10 L QD1 . 6866 1 28 . 1 1 10 10 LEU HD21 H 1 0.770 0.05 . 2 . . . . 10 L QD2 . 6866 1 29 . 1 1 10 10 LEU HD22 H 1 0.770 0.05 . 2 . . . . 10 L QD2 . 6866 1 30 . 1 1 10 10 LEU HD23 H 1 0.770 0.05 . 2 . . . . 10 L QD2 . 6866 1 31 . 1 1 10 10 LEU C C 13 174.637 0.15 . 1 . . . . 10 L C . 6866 1 32 . 1 1 10 10 LEU CA C 13 54.513 0.15 . 1 . . . . 10 L CA . 6866 1 33 . 1 1 10 10 LEU CB C 13 45.187 0.15 . 1 . . . . 10 L CB . 6866 1 34 . 1 1 10 10 LEU CD1 C 13 25.832 0.15 . 2 . . . . 10 L CD1 . 6866 1 35 . 1 1 10 10 LEU CD2 C 13 25.000 0.15 . 2 . . . . 10 L CD2 . 6866 1 36 . 1 1 10 10 LEU N N 15 123.592 0.15 . 1 . . . . 10 L N . 6866 1 37 . 1 1 11 11 GLU H H 1 8.894 0.05 . 1 . . . . 11 E H . 6866 1 38 . 1 1 11 11 GLU HA H 1 4.765 0.05 . 1 . . . . 11 E HA . 6866 1 39 . 1 1 11 11 GLU HB2 H 1 2.012 0.05 . 1 . . . . 11 E QB . 6866 1 40 . 1 1 11 11 GLU HB3 H 1 2.012 0.05 . 1 . . . . 11 E QB . 6866 1 41 . 1 1 11 11 GLU HG2 H 1 2.253 0.05 . 2 . . . . 11 E HG2 . 6866 1 42 . 1 1 11 11 GLU HG3 H 1 2.219 0.05 . 2 . . . . 11 E HG3 . 6866 1 43 . 1 1 11 11 GLU C C 13 174.563 0.15 . 1 . . . . 11 E C . 6866 1 44 . 1 1 11 11 GLU CA C 13 55.047 0.15 . 1 . . . . 11 E CA . 6866 1 45 . 1 1 11 11 GLU CB C 13 33.760 0.15 . 1 . . . . 11 E CB . 6866 1 46 . 1 1 11 11 GLU CG C 13 36.310 0.15 . 1 . . . . 11 E CG . 6866 1 47 . 1 1 11 11 GLU N N 15 124.055 0.15 . 1 . . . . 11 E N . 6866 1 48 . 1 1 12 12 VAL H H 1 8.607 0.05 . 1 . . . . 12 V H . 6866 1 49 . 1 1 12 12 VAL HA H 1 5.174 0.05 . 1 . . . . 12 V HA . 6866 1 50 . 1 1 12 12 VAL HB H 1 1.716 0.05 . 1 . . . . 12 V HB . 6866 1 51 . 1 1 12 12 VAL HG11 H 1 0.873 0.05 . 2 . . . . 12 V QG1 . 6866 1 52 . 1 1 12 12 VAL HG12 H 1 0.873 0.05 . 2 . . . . 12 V QG1 . 6866 1 53 . 1 1 12 12 VAL HG13 H 1 0.873 0.05 . 2 . . . . 12 V QG1 . 6866 1 54 . 1 1 12 12 VAL HG21 H 1 0.843 0.05 . 2 . . . . 12 V QG2 . 6866 1 55 . 1 1 12 12 VAL HG22 H 1 0.843 0.05 . 2 . . . . 12 V QG2 . 6866 1 56 . 1 1 12 12 VAL HG23 H 1 0.843 0.05 . 2 . . . . 12 V QG2 . 6866 1 57 . 1 1 12 12 VAL C C 13 173.573 0.15 . 1 . . . . 12 V C . 6866 1 58 . 1 1 12 12 VAL CA C 13 60.296 0.15 . 1 . . . . 12 V CA . 6866 1 59 . 1 1 12 12 VAL CB C 13 35.689 0.15 . 1 . . . . 12 V CB . 6866 1 60 . 1 1 12 12 VAL CG1 C 13 22.349 0.15 . 2 . . . . 12 V CG1 . 6866 1 61 . 1 1 12 12 VAL CG2 C 13 22.184 0.15 . 2 . . . . 12 V CG2 . 6866 1 62 . 1 1 12 12 VAL N N 15 120.878 0.15 . 1 . . . . 12 V N . 6866 1 63 . 1 1 13 13 HIS H H 1 8.982 0.05 . 1 . . . . 13 H H . 6866 1 64 . 1 1 13 13 HIS HA H 1 4.824 0.05 . 1 . . . . 13 H HA . 6866 1 65 . 1 1 13 13 HIS HB2 H 1 3.314 0.05 . 2 . . . . 13 H HB2 . 6866 1 66 . 1 1 13 13 HIS HB3 H 1 2.986 0.05 . 2 . . . . 13 H HB3 . 6866 1 67 . 1 1 13 13 HIS HD2 H 1 6.628 0.05 . 4 . . . . 13 H HD2 . 6866 1 68 . 1 1 13 13 HIS HE1 H 1 7.169 0.05 . 4 . . . . 13 H HE1 . 6866 1 69 . 1 1 13 13 HIS C C 13 173.236 0.15 . 1 . . . . 13 H C . 6866 1 70 . 1 1 13 13 HIS CA C 13 54.906 0.15 . 1 . . . . 13 H CA . 6866 1 71 . 1 1 13 13 HIS CB C 13 33.496 0.15 . 1 . . . . 13 H CB . 6866 1 72 . 1 1 13 13 HIS N N 15 121.504 0.15 . 1 . . . . 13 H N . 6866 1 73 . 1 1 14 14 ILE H H 1 10.442 0.05 . 1 . . . . 14 I H . 6866 1 74 . 1 1 14 14 ILE HA H 1 5.458 0.05 . 1 . . . . 14 I HA . 6866 1 75 . 1 1 14 14 ILE HB H 1 2.098 0.05 . 1 . . . . 14 I HB . 6866 1 76 . 1 1 14 14 ILE HG12 H 1 1.289 0.05 . 2 . . . . 14 I HG12 . 6866 1 77 . 1 1 14 14 ILE HG13 H 1 1.595 0.05 . 2 . . . . 14 I HG13 . 6866 1 78 . 1 1 14 14 ILE HG21 H 1 1.082 0.05 . 1 . . . . 14 I QG2 . 6866 1 79 . 1 1 14 14 ILE HG22 H 1 1.082 0.05 . 1 . . . . 14 I QG2 . 6866 1 80 . 1 1 14 14 ILE HG23 H 1 1.082 0.05 . 1 . . . . 14 I QG2 . 6866 1 81 . 1 1 14 14 ILE HD11 H 1 0.924 0.05 . 1 . . . . 14 I QD1 . 6866 1 82 . 1 1 14 14 ILE HD12 H 1 0.924 0.05 . 1 . . . . 14 I QD1 . 6866 1 83 . 1 1 14 14 ILE HD13 H 1 0.924 0.05 . 1 . . . . 14 I QD1 . 6866 1 84 . 1 1 14 14 ILE CA C 13 58.386 0.15 . 1 . . . . 14 I CA . 6866 1 85 . 1 1 14 14 ILE CB C 13 38.596 0.15 . 1 . . . . 14 I CB . 6866 1 86 . 1 1 14 14 ILE CG2 C 13 19.727 0.15 . 1 . . . . 14 I CG2 . 6866 1 87 . 1 1 14 14 ILE CD1 C 13 13.684 0.15 . 1 . . . . 14 I CD1 . 6866 1 88 . 1 1 14 14 ILE N N 15 119.923 0.15 . 1 . . . . 14 I N . 6866 1 89 . 1 1 15 15 PRO HA H 1 4.560 0.05 . 1 . . . . 15 P HA . 6866 1 90 . 1 1 15 15 PRO HB2 H 1 2.382 0.05 . 2 . . . . 15 P HB2 . 6866 1 91 . 1 1 15 15 PRO HB3 H 1 2.023 0.05 . 2 . . . . 15 P HB3 . 6866 1 92 . 1 1 15 15 PRO HG2 H 1 1.948 0.05 . 1 . . . . 15 P HG2 . 6866 1 93 . 1 1 15 15 PRO HD2 H 1 4.546 0.05 . 2 . . . . 15 P HD2 . 6866 1 94 . 1 1 15 15 PRO HD3 H 1 3.170 0.05 . 2 . . . . 15 P HD3 . 6866 1 95 . 1 1 15 15 PRO C C 13 176.907 0.15 . 1 . . . . 15 P C . 6866 1 96 . 1 1 15 15 PRO CA C 13 64.342 0.15 . 1 . . . . 15 P CA . 6866 1 97 . 1 1 15 15 PRO CB C 13 32.924 0.15 . 1 . . . . 15 P CB . 6866 1 98 . 1 1 15 15 PRO CG C 13 27.118 0.15 . 1 . . . . 15 P CG . 6866 1 99 . 1 1 15 15 PRO CD C 13 50.753 0.15 . 1 . . . . 15 P CD . 6866 1 100 . 1 1 16 16 SER H H 1 7.331 0.05 . 1 . . . . 16 S H . 6866 1 101 . 1 1 16 16 SER HA H 1 4.822 0.05 . 1 . . . . 16 S HA . 6866 1 102 . 1 1 16 16 SER HB2 H 1 3.840 0.05 . 1 . . . . 16 S QB . 6866 1 103 . 1 1 16 16 SER HB3 H 1 3.840 0.05 . 1 . . . . 16 S QB . 6866 1 104 . 1 1 16 16 SER C C 13 171.253 0.15 . 1 . . . . 16 S C . 6866 1 105 . 1 1 16 16 SER CA C 13 57.135 0.15 . 1 . . . . 16 S CA . 6866 1 106 . 1 1 16 16 SER CB C 13 65.947 0.15 . 1 . . . . 16 S CB . 6866 1 107 . 1 1 16 16 SER N N 15 107.745 0.15 . 1 . . . . 16 S N . 6866 1 108 . 1 1 17 17 VAL H H 1 8.350 0.05 . 1 . . . . 17 V H . 6866 1 109 . 1 1 17 17 VAL HA H 1 4.926 0.05 . 1 . . . . 17 V HA . 6866 1 110 . 1 1 17 17 VAL HB H 1 1.714 0.05 . 1 . . . . 17 V HB . 6866 1 111 . 1 1 17 17 VAL HG11 H 1 0.206 0.05 . 2 . . . . 17 V QG1 . 6866 1 112 . 1 1 17 17 VAL HG12 H 1 0.206 0.05 . 2 . . . . 17 V QG1 . 6866 1 113 . 1 1 17 17 VAL HG13 H 1 0.206 0.05 . 2 . . . . 17 V QG1 . 6866 1 114 . 1 1 17 17 VAL HG21 H 1 0.687 0.05 . 2 . . . . 17 V QG2 . 6866 1 115 . 1 1 17 17 VAL HG22 H 1 0.687 0.05 . 2 . . . . 17 V QG2 . 6866 1 116 . 1 1 17 17 VAL HG23 H 1 0.687 0.05 . 2 . . . . 17 V QG2 . 6866 1 117 . 1 1 17 17 VAL C C 13 173.692 0.15 . 1 . . . . 17 V C . 6866 1 118 . 1 1 17 17 VAL CA C 13 58.721 0.15 . 1 . . . . 17 V CA . 6866 1 119 . 1 1 17 17 VAL CB C 13 34.420 0.15 . 1 . . . . 17 V CB . 6866 1 120 . 1 1 17 17 VAL CG1 C 13 20.698 0.15 . 2 . . . . 17 V CG1 . 6866 1 121 . 1 1 17 17 VAL CG2 C 13 19.841 0.15 . 2 . . . . 17 V CG2 . 6866 1 122 . 1 1 17 17 VAL N N 15 118.680 0.15 . 1 . . . . 17 V N . 6866 1 123 . 1 1 18 18 GLY H H 1 8.332 0.05 . 1 . . . . 18 G H . 6866 1 124 . 1 1 18 18 GLY HA2 H 1 4.189 0.05 . 2 . . . . 18 G HA2 . 6866 1 125 . 1 1 18 18 GLY HA3 H 1 4.011 0.05 . 2 . . . . 18 G HA3 . 6866 1 126 . 1 1 18 18 GLY CA C 13 45.356 0.15 . 1 . . . . 18 G CA . 6866 1 127 . 1 1 18 18 GLY N N 15 112.549 0.15 . 1 . . . . 18 G N . 6866 1 128 . 1 1 19 19 PRO HA H 1 4.757 0.05 . 1 . . . . 19 P HA . 6866 1 129 . 1 1 19 19 PRO HB2 H 1 1.937 0.05 . 2 . . . . 19 P HB2 . 6866 1 130 . 1 1 19 19 PRO HB3 H 1 2.198 0.05 . 2 . . . . 19 P HB3 . 6866 1 131 . 1 1 19 19 PRO HG2 H 1 1.989 0.05 . 2 . . . . 19 P HG2 . 6866 1 132 . 1 1 19 19 PRO HD2 H 1 3.476 0.05 . 2 . . . . 19 P HD2 . 6866 1 133 . 1 1 19 19 PRO HD3 H 1 3.598 0.05 . 2 . . . . 19 P HD3 . 6866 1 134 . 1 1 19 19 PRO C C 13 177.482 0.15 . 1 . . . . 19 P C . 6866 1 135 . 1 1 19 19 PRO CA C 13 62.848 0.15 . 1 . . . . 19 P CA . 6866 1 136 . 1 1 19 19 PRO CB C 13 32.283 0.15 . 1 . . . . 19 P CB . 6866 1 137 . 1 1 19 19 PRO CG C 13 27.202 0.15 . 1 . . . . 19 P CG . 6866 1 138 . 1 1 19 19 PRO CD C 13 49.470 0.15 . 1 . . . . 19 P CD . 6866 1 139 . 1 1 20 20 GLU H H 1 8.588 0.05 . 1 . . . . 20 E H . 6866 1 140 . 1 1 20 20 GLU HA H 1 4.147 0.05 . 1 . . . . 20 E HA . 6866 1 141 . 1 1 20 20 GLU HB2 H 1 1.983 0.05 . 1 . . . . 20 E QB . 6866 1 142 . 1 1 20 20 GLU HB3 H 1 1.983 0.05 . 1 . . . . 20 E QB . 6866 1 143 . 1 1 20 20 GLU HG2 H 1 2.272 0.05 . 2 . . . . 20 E HG2 . 6866 1 144 . 1 1 20 20 GLU C C 13 175.857 0.15 . 1 . . . . 20 E C . 6866 1 145 . 1 1 20 20 GLU CA C 13 57.150 0.15 . 1 . . . . 20 E CA . 6866 1 146 . 1 1 20 20 GLU CB C 13 30.923 0.15 . 1 . . . . 20 E CB . 6866 1 147 . 1 1 20 20 GLU CG C 13 36.540 0.15 . 1 . . . . 20 E CG . 6866 1 148 . 1 1 20 20 GLU N N 15 122.087 0.15 . 1 . . . . 20 E N . 6866 1 149 . 1 1 21 21 ALA H H 1 8.352 0.05 . 1 . . . . 21 A H . 6866 1 150 . 1 1 21 21 ALA HA H 1 4.391 0.05 . 1 . . . . 21 A HA . 6866 1 151 . 1 1 21 21 ALA HB1 H 1 1.374 0.05 . 1 . . . . 21 A QB . 6866 1 152 . 1 1 21 21 ALA HB2 H 1 1.374 0.05 . 1 . . . . 21 A QB . 6866 1 153 . 1 1 21 21 ALA HB3 H 1 1.374 0.05 . 1 . . . . 21 A QB . 6866 1 154 . 1 1 21 21 ALA C C 13 174.910 0.15 . 1 . . . . 21 A C . 6866 1 155 . 1 1 21 21 ALA CA C 13 52.166 0.15 . 1 . . . . 21 A CA . 6866 1 156 . 1 1 21 21 ALA CB C 13 19.915 0.15 . 1 . . . . 21 A CB . 6866 1 157 . 1 1 21 21 ALA N N 15 124.593 0.15 . 1 . . . . 21 A N . 6866 1 158 . 1 1 22 22 GLU H H 1 8.398 0.05 . 1 . . . . 22 E H . 6866 1 159 . 1 1 22 22 GLU HA H 1 4.331 0.05 . 1 . . . . 22 E HA . 6866 1 160 . 1 1 22 22 GLU HB2 H 1 1.932 0.05 . 2 . . . . 22 E HB2 . 6866 1 161 . 1 1 22 22 GLU HB3 H 1 2.055 0.05 . 2 . . . . 22 E HB3 . 6866 1 162 . 1 1 22 22 GLU HG2 H 1 2.257 0.05 . 2 . . . . 22 E HG2 . 6866 1 163 . 1 1 22 22 GLU C C 13 176.389 0.15 . 1 . . . . 22 E C . 6866 1 164 . 1 1 22 22 GLU CA C 13 56.316 0.15 . 1 . . . . 22 E CA . 6866 1 165 . 1 1 22 22 GLU CB C 13 30.713 0.15 . 1 . . . . 22 E CB . 6866 1 166 . 1 1 22 22 GLU CG C 13 36.360 0.15 . 1 . . . . 22 E CG . 6866 1 167 . 1 1 22 22 GLU N N 15 120.159 0.15 . 1 . . . . 22 E N . 6866 1 168 . 1 1 23 23 GLY H H 1 8.246 0.05 . 1 . . . . 23 G H . 6866 1 169 . 1 1 23 23 GLY HA2 H 1 4.162 0.05 . 2 . . . . 23 G HA2 . 6866 1 170 . 1 1 23 23 GLY HA3 H 1 4.061 0.05 . 2 . . . . 23 G HA3 . 6866 1 171 . 1 1 23 23 GLY CA C 13 44.801 0.15 . 1 . . . . 23 G CA . 6866 1 172 . 1 1 23 23 GLY N N 15 110.080 0.15 . 1 . . . . 23 G N . 6866 1 173 . 1 1 24 24 PRO HA H 1 4.417 0.05 . 1 . . . . 24 P HA . 6866 1 174 . 1 1 24 24 PRO HB2 H 1 1.944 0.05 . 2 . . . . 24 P HB2 . 6866 1 175 . 1 1 24 24 PRO HB3 H 1 2.273 0.05 . 2 . . . . 24 P HB3 . 6866 1 176 . 1 1 24 24 PRO HG2 H 1 2.006 0.05 . 2 . . . . 24 P HG2 . 6866 1 177 . 1 1 24 24 PRO HD2 H 1 3.615 0.05 . 2 . . . . 24 P HD2 . 6866 1 178 . 1 1 24 24 PRO C C 13 177.135 0.15 . 1 . . . . 24 P C . 6866 1 179 . 1 1 24 24 PRO CA C 13 63.520 0.15 . 1 . . . . 24 P CA . 6866 1 180 . 1 1 24 24 PRO CB C 13 32.124 0.15 . 1 . . . . 24 P CB . 6866 1 181 . 1 1 24 24 PRO CG C 13 27.254 0.15 . 1 . . . . 24 P CG . 6866 1 182 . 1 1 24 24 PRO CD C 13 49.965 0.15 . 1 . . . . 24 P CD . 6866 1 183 . 1 1 25 25 ARG H H 1 8.409 0.05 . 1 . . . . 25 R H . 6866 1 184 . 1 1 25 25 ARG HA H 1 4.298 0.05 . 1 . . . . 25 R HA . 6866 1 185 . 1 1 25 25 ARG HB2 H 1 1.785 0.05 . 2 . . . . 25 R HB2 . 6866 1 186 . 1 1 25 25 ARG HD2 H 1 3.182 0.05 . 2 . . . . 25 R HD2 . 6866 1 187 . 1 1 25 25 ARG C C 13 176.217 0.15 . 1 . . . . 25 R C . 6866 1 188 . 1 1 25 25 ARG CA C 13 56.237 0.15 . 1 . . . . 25 R CA . 6866 1 189 . 1 1 25 25 ARG CB C 13 30.467 0.15 . 1 . . . . 25 R CB . 6866 1 190 . 1 1 25 25 ARG CG C 13 27.092 0.15 . 1 . . . . 25 R CG . 6866 1 191 . 1 1 25 25 ARG CD C 13 43.305 0.15 . 1 . . . . 25 R CD . 6866 1 192 . 1 1 25 25 ARG N N 15 120.147 0.15 . 1 . . . . 25 R N . 6866 1 193 . 1 1 26 26 GLN H H 1 8.278 0.05 . 1 . . . . 26 Q H . 6866 1 194 . 1 1 26 26 GLN HA H 1 4.336 0.05 . 1 . . . . 26 Q HA . 6866 1 195 . 1 1 26 26 GLN HB2 H 1 1.949 0.05 . 2 . . . . 26 Q HB2 . 6866 1 196 . 1 1 26 26 GLN HB3 H 1 2.087 0.05 . 2 . . . . 26 Q HB3 . 6866 1 197 . 1 1 26 26 GLN HG2 H 1 2.326 0.05 . 2 . . . . 26 Q HG2 . 6866 1 198 . 1 1 26 26 GLN HE21 H 1 6.828 0.05 . 2 . . . . 26 Q HE21 . 6866 1 199 . 1 1 26 26 GLN HE22 H 1 7.546 0.05 . 2 . . . . 26 Q HE22 . 6866 1 200 . 1 1 26 26 GLN C C 13 175.566 0.15 . 1 . . . . 26 Q C . 6866 1 201 . 1 1 26 26 GLN CA C 13 55.788 0.15 . 1 . . . . 26 Q CA . 6866 1 202 . 1 1 26 26 GLN CB C 13 29.714 0.15 . 1 . . . . 26 Q CB . 6866 1 203 . 1 1 26 26 GLN CG C 13 33.827 0.15 . 1 . . . . 26 Q CG . 6866 1 204 . 1 1 26 26 GLN N N 15 120.460 0.15 . 1 . . . . 26 Q N . 6866 1 205 . 1 1 26 26 GLN NE2 N 15 112.540 0.15 . 1 . . . . 26 Q NE2 . 6866 1 206 . 1 1 27 27 SER H H 1 8.298 0.05 . 1 . . . . 27 S H . 6866 1 207 . 1 1 27 27 SER HB2 H 1 3.842 0.05 . 2 . . . . 27 S HB2 . 6866 1 208 . 1 1 27 27 SER CA C 13 56.156 0.15 . 1 . . . . 27 S CA . 6866 1 209 . 1 1 27 27 SER CB C 13 63.813 0.15 . 1 . . . . 27 S CB . 6866 1 210 . 1 1 27 27 SER N N 15 117.382 0.15 . 1 . . . . 27 S N . 6866 1 211 . 1 1 28 28 PRO HA H 1 4.366 0.05 . 1 . . . . 28 P HA . 6866 1 212 . 1 1 28 28 PRO HB2 H 1 1.956 0.05 . 2 . . . . 28 P HB2 . 6866 1 213 . 1 1 28 28 PRO HB3 H 1 2.281 0.05 . 2 . . . . 28 P HB3 . 6866 1 214 . 1 1 28 28 PRO HG2 H 1 2.320 0.05 . 2 . . . . 28 P HG2 . 6866 1 215 . 1 1 28 28 PRO HD2 H 1 3.791 0.05 . 2 . . . . 28 P HD2 . 6866 1 216 . 1 1 28 28 PRO C C 13 177.555 0.15 . 1 . . . . 28 P C . 6866 1 217 . 1 1 28 28 PRO CA C 13 64.486 0.15 . 1 . . . . 28 P CA . 6866 1 218 . 1 1 28 28 PRO CB C 13 31.892 0.15 . 1 . . . . 28 P CB . 6866 1 219 . 1 1 28 28 PRO CG C 13 27.510 0.15 . 1 . . . . 28 P CG . 6866 1 220 . 1 1 28 28 PRO CD C 13 50.749 0.15 . 1 . . . . 28 P CD . 6866 1 221 . 1 1 29 29 GLU H H 1 8.582 0.05 . 1 . . . . 29 E H . 6866 1 222 . 1 1 29 29 GLU HA H 1 4.218 0.05 . 1 . . . . 29 E HA . 6866 1 223 . 1 1 29 29 GLU HB2 H 1 1.939 0.05 . 2 . . . . 29 E HB2 . 6866 1 224 . 1 1 29 29 GLU HB3 H 1 2.041 0.05 . 2 . . . . 29 E HB3 . 6866 1 225 . 1 1 29 29 GLU HG2 H 1 2.262 0.05 . 2 . . . . 29 E HG2 . 6866 1 226 . 1 1 29 29 GLU CA C 13 57.261 0.15 . 1 . . . . 29 E CA . 6866 1 227 . 1 1 29 29 GLU CB C 13 29.633 0.15 . 1 . . . . 29 E CB . 6866 1 228 . 1 1 29 29 GLU CG C 13 36.362 0.15 . 1 . . . . 29 E CG . 6866 1 229 . 1 1 29 29 GLU N N 15 118.309 0.15 . 1 . . . . 29 E N . 6866 1 230 . 1 1 30 30 LYS H H 1 7.955 0.05 . 1 . . . . 30 K H . 6866 1 231 . 1 1 30 30 LYS HA H 1 4.328 0.05 . 1 . . . . 30 K HA . 6866 1 232 . 1 1 30 30 LYS HB2 H 1 1.722 0.05 . 2 . . . . 30 K HB2 . 6866 1 233 . 1 1 30 30 LYS HB3 H 1 1.835 0.05 . 2 . . . . 30 K HB3 . 6866 1 234 . 1 1 30 30 LYS HG2 H 1 1.397 0.05 . 2 . . . . 30 K HG2 . 6866 1 235 . 1 1 30 30 LYS HD2 H 1 1.668 0.05 . 2 . . . . 30 K HD2 . 6866 1 236 . 1 1 30 30 LYS C C 13 176.222 0.15 . 1 . . . . 30 K C . 6866 1 237 . 1 1 30 30 LYS CA C 13 56.247 0.15 . 1 . . . . 30 K CA . 6866 1 238 . 1 1 30 30 LYS CB C 13 32.720 0.15 . 1 . . . . 30 K CB . 6866 1 239 . 1 1 30 30 LYS CG C 13 25.057 0.15 . 1 . . . . 30 K CG . 6866 1 240 . 1 1 30 30 LYS CD C 13 28.940 0.15 . 1 . . . . 30 K CD . 6866 1 241 . 1 1 30 30 LYS CE C 13 42.214 0.15 . 1 . . . . 30 K CE . 6866 1 242 . 1 1 30 30 LYS N N 15 120.129 0.15 . 1 . . . . 30 K N . 6866 1 243 . 1 1 31 31 SER H H 1 7.883 0.05 . 1 . . . . 31 S H . 6866 1 244 . 1 1 31 31 SER HA H 1 4.458 0.05 . 1 . . . . 31 S HA . 6866 1 245 . 1 1 31 31 SER HB2 H 1 3.844 0.05 . 2 . . . . 31 S HB2 . 6866 1 246 . 1 1 31 31 SER C C 13 174.129 0.15 . 1 . . . . 31 S C . 6866 1 247 . 1 1 31 31 SER CA C 13 58.477 0.15 . 1 . . . . 31 S CA . 6866 1 248 . 1 1 31 31 SER CB C 13 64.042 0.15 . 1 . . . . 31 S CB . 6866 1 249 . 1 1 31 31 SER N N 15 115.366 0.15 . 1 . . . . 31 S N . 6866 1 250 . 1 1 32 32 HIS H H 1 8.485 0.05 . 1 . . . . 32 H H . 6866 1 251 . 1 1 32 32 HIS HA H 1 4.450 0.05 . 1 . . . . 32 H HA . 6866 1 252 . 1 1 32 32 HIS HB2 H 1 3.191 0.05 . 2 . . . . 32 H HB2 . 6866 1 253 . 1 1 32 32 HIS HB3 H 1 3.045 0.05 . 2 . . . . 32 H HB3 . 6866 1 254 . 1 1 32 32 HIS HD2 H 1 7.150 0.05 . 4 . . . . 32 H HD2 . 6866 1 255 . 1 1 32 32 HIS CA C 13 56.009 0.15 . 1 . . . . 32 H CA . 6866 1 256 . 1 1 32 32 HIS CB C 13 31.122 0.15 . 1 . . . . 32 H CB . 6866 1 257 . 1 1 32 32 HIS N N 15 121.500 0.15 . 1 . . . . 32 H N . 6866 1 258 . 1 1 33 33 MET H H 1 8.392 0.05 . 1 . . . . 33 M H . 6866 1 259 . 1 1 33 33 MET HA H 1 4.601 0.05 . 1 . . . . 33 M HA . 6866 1 260 . 1 1 33 33 MET HG2 H 1 2.416 0.05 . 2 . . . . 33 M HG2 . 6866 1 261 . 1 1 33 33 MET HG3 H 1 1.422 0.05 . 2 . . . . 33 M HG3 . 6866 1 262 . 1 1 33 33 MET HE1 H 1 1.897 0.05 . 1 . . . . 33 M HE . 6866 1 263 . 1 1 33 33 MET HE2 H 1 1.897 0.05 . 1 . . . . 33 M HE . 6866 1 264 . 1 1 33 33 MET HE3 H 1 1.897 0.05 . 1 . . . . 33 M HE . 6866 1 265 . 1 1 33 33 MET C C 13 175.842 0.15 . 1 . . . . 33 M C . 6866 1 266 . 1 1 33 33 MET CA C 13 54.533 0.15 . 1 . . . . 33 M CA . 6866 1 267 . 1 1 33 33 MET CB C 13 32.868 0.15 . 1 . . . . 33 M CB . 6866 1 268 . 1 1 33 33 MET CG C 13 32.613 0.15 . 1 . . . . 33 M CG . 6866 1 269 . 1 1 33 33 MET CE C 13 17.666 0.15 . 1 . . . . 33 M CE . 6866 1 270 . 1 1 33 33 MET N N 15 120.204 0.15 . 1 . . . . 33 M N . 6866 1 271 . 1 1 34 34 VAL H H 1 8.938 0.05 . 1 . . . . 34 V H . 6866 1 272 . 1 1 34 34 VAL HA H 1 4.430 0.05 . 1 . . . . 34 V HA . 6866 1 273 . 1 1 34 34 VAL HB H 1 1.862 0.05 . 1 . . . . 34 V HB . 6866 1 274 . 1 1 34 34 VAL HG11 H 1 0.864 0.05 . 2 . . . . 34 V QG1 . 6866 1 275 . 1 1 34 34 VAL HG12 H 1 0.864 0.05 . 2 . . . . 34 V QG1 . 6866 1 276 . 1 1 34 34 VAL HG13 H 1 0.864 0.05 . 2 . . . . 34 V QG1 . 6866 1 277 . 1 1 34 34 VAL HG21 H 1 0.865 0.05 . 2 . . . . 34 V QG2 . 6866 1 278 . 1 1 34 34 VAL HG22 H 1 0.865 0.05 . 2 . . . . 34 V QG2 . 6866 1 279 . 1 1 34 34 VAL HG23 H 1 0.865 0.05 . 2 . . . . 34 V QG2 . 6866 1 280 . 1 1 34 34 VAL C C 13 174.149 0.15 . 1 . . . . 34 V C . 6866 1 281 . 1 1 34 34 VAL CA C 13 60.703 0.15 . 1 . . . . 34 V CA . 6866 1 282 . 1 1 34 34 VAL CB C 13 34.319 0.15 . 1 . . . . 34 V CB . 6866 1 283 . 1 1 34 34 VAL CG1 C 13 19.882 0.15 . 2 . . . . 34 V CG1 . 6866 1 284 . 1 1 34 34 VAL CG2 C 13 22.584 0.15 . 2 . . . . 34 V CG2 . 6866 1 285 . 1 1 34 34 VAL N N 15 118.512 0.15 . 1 . . . . 34 V N . 6866 1 286 . 1 1 35 35 PHE H H 1 9.242 0.05 . 1 . . . . 35 F H . 6866 1 287 . 1 1 35 35 PHE HA H 1 4.439 0.05 . 1 . . . . 35 F HA . 6866 1 288 . 1 1 35 35 PHE HB2 H 1 3.010 0.05 . 2 . . . . 35 F HB2 . 6866 1 289 . 1 1 35 35 PHE HB3 H 1 3.549 0.05 . 2 . . . . 35 F HB3 . 6866 1 290 . 1 1 35 35 PHE HD1 H 1 7.198 0.05 . 4 . . . . 35 F QD . 6866 1 291 . 1 1 35 35 PHE HD2 H 1 7.198 0.05 . 4 . . . . 35 F QD . 6866 1 292 . 1 1 35 35 PHE HE1 H 1 7.373 0.05 . 4 . . . . 35 F QE . 6866 1 293 . 1 1 35 35 PHE HE2 H 1 7.373 0.05 . 4 . . . . 35 F QE . 6866 1 294 . 1 1 35 35 PHE C C 13 174.831 0.15 . 1 . . . . 35 F C . 6866 1 295 . 1 1 35 35 PHE CA C 13 57.754 0.15 . 1 . . . . 35 F CA . 6866 1 296 . 1 1 35 35 PHE CB C 13 38.959 0.15 . 1 . . . . 35 F CB . 6866 1 297 . 1 1 35 35 PHE N N 15 124.912 0.15 . 1 . . . . 35 F N . 6866 1 298 . 1 1 36 36 ARG H H 1 8.475 0.05 . 1 . . . . 36 R H . 6866 1 299 . 1 1 36 36 ARG HA H 1 4.135 0.05 . 1 . . . . 36 R HA . 6866 1 300 . 1 1 36 36 ARG HB2 H 1 1.456 0.05 . 2 . . . . 36 R HB2 . 6866 1 301 . 1 1 36 36 ARG HB3 H 1 1.575 0.05 . 2 . . . . 36 R HB3 . 6866 1 302 . 1 1 36 36 ARG HG2 H 1 1.882 0.05 . 2 . . . . 36 R HG2 . 6866 1 303 . 1 1 36 36 ARG HD2 H 1 3.052 0.05 . 2 . . . . 36 R HD2 . 6866 1 304 . 1 1 36 36 ARG C C 13 172.865 0.15 . 1 . . . . 36 R C . 6866 1 305 . 1 1 36 36 ARG CA C 13 56.895 0.15 . 1 . . . . 36 R CA . 6866 1 306 . 1 1 36 36 ARG CB C 13 28.962 0.15 . 1 . . . . 36 R CB . 6866 1 307 . 1 1 36 36 ARG CD C 13 43.388 0.15 . 1 . . . . 36 R CD . 6866 1 308 . 1 1 36 36 ARG N N 15 125.680 0.15 . 1 . . . . 36 R N . 6866 1 309 . 1 1 37 37 VAL H H 1 8.066 0.05 . 1 . . . . 37 V H . 6866 1 310 . 1 1 37 37 VAL HA H 1 4.292 0.05 . 1 . . . . 37 V HA . 6866 1 311 . 1 1 37 37 VAL HB H 1 2.587 0.05 . 1 . . . . 37 V HB . 6866 1 312 . 1 1 37 37 VAL HG11 H 1 1.129 0.05 . 2 . . . . 37 V QG1 . 6866 1 313 . 1 1 37 37 VAL HG12 H 1 1.129 0.05 . 2 . . . . 37 V QG1 . 6866 1 314 . 1 1 37 37 VAL HG13 H 1 1.129 0.05 . 2 . . . . 37 V QG1 . 6866 1 315 . 1 1 37 37 VAL HG21 H 1 0.830 0.05 . 2 . . . . 37 V QG2 . 6866 1 316 . 1 1 37 37 VAL HG22 H 1 0.830 0.05 . 2 . . . . 37 V QG2 . 6866 1 317 . 1 1 37 37 VAL HG23 H 1 0.830 0.05 . 2 . . . . 37 V QG2 . 6866 1 318 . 1 1 37 37 VAL C C 13 174.595 0.15 . 1 . . . . 37 V C . 6866 1 319 . 1 1 37 37 VAL CA C 13 62.727 0.15 . 1 . . . . 37 V CA . 6866 1 320 . 1 1 37 37 VAL CB C 13 31.102 0.15 . 1 . . . . 37 V CB . 6866 1 321 . 1 1 37 37 VAL CG1 C 13 21.939 0.15 . 2 . . . . 37 V CG1 . 6866 1 322 . 1 1 37 37 VAL CG2 C 13 22.175 0.15 . 2 . . . . 37 V CG2 . 6866 1 323 . 1 1 37 37 VAL N N 15 125.403 0.15 . 1 . . . . 37 V N . 6866 1 324 . 1 1 38 38 GLU H H 1 9.532 0.05 . 1 . . . . 38 E H . 6866 1 325 . 1 1 38 38 GLU HA H 1 4.895 0.05 . 1 . . . . 38 E HA . 6866 1 326 . 1 1 38 38 GLU HB2 H 1 1.728 0.05 . 2 . . . . 38 E HB2 . 6866 1 327 . 1 1 38 38 GLU HB3 H 1 1.920 0.05 . 2 . . . . 38 E HB3 . 6866 1 328 . 1 1 38 38 GLU HG2 H 1 2.040 0.05 . 2 . . . . 38 E HG2 . 6866 1 329 . 1 1 38 38 GLU C C 13 174.509 0.15 . 1 . . . . 38 E C . 6866 1 330 . 1 1 38 38 GLU CA C 13 55.650 0.15 . 1 . . . . 38 E CA . 6866 1 331 . 1 1 38 38 GLU CB C 13 32.214 0.15 . 1 . . . . 38 E CB . 6866 1 332 . 1 1 38 38 GLU CG C 13 36.971 0.15 . 1 . . . . 38 E CG . 6866 1 333 . 1 1 38 38 GLU N N 15 129.885 0.15 . 1 . . . . 38 E N . 6866 1 334 . 1 1 39 39 VAL H H 1 9.035 0.05 . 1 . . . . 39 V H . 6866 1 335 . 1 1 39 39 VAL HA H 1 4.446 0.05 . 1 . . . . 39 V HA . 6866 1 336 . 1 1 39 39 VAL HB H 1 1.293 0.05 . 1 . . . . 39 V HB . 6866 1 337 . 1 1 39 39 VAL HG11 H 1 0.870 0.05 . 2 . . . . 39 V QG1 . 6866 1 338 . 1 1 39 39 VAL HG12 H 1 0.870 0.05 . 2 . . . . 39 V QG1 . 6866 1 339 . 1 1 39 39 VAL HG13 H 1 0.870 0.05 . 2 . . . . 39 V QG1 . 6866 1 340 . 1 1 39 39 VAL HG21 H 1 0.839 0.05 . 2 . . . . 39 V QG2 . 6866 1 341 . 1 1 39 39 VAL HG22 H 1 0.839 0.05 . 2 . . . . 39 V QG2 . 6866 1 342 . 1 1 39 39 VAL HG23 H 1 0.839 0.05 . 2 . . . . 39 V QG2 . 6866 1 343 . 1 1 39 39 VAL C C 13 173.661 0.15 . 1 . . . . 39 V C . 6866 1 344 . 1 1 39 39 VAL CA C 13 61.258 0.15 . 1 . . . . 39 V CA . 6866 1 345 . 1 1 39 39 VAL CB C 13 33.533 0.15 . 1 . . . . 39 V CB . 6866 1 346 . 1 1 39 39 VAL CG1 C 13 22.545 0.15 . 2 . . . . 39 V CG1 . 6866 1 347 . 1 1 39 39 VAL CG2 C 13 22.273 0.15 . 2 . . . . 39 V CG2 . 6866 1 348 . 1 1 39 39 VAL N N 15 127.941 0.15 . 1 . . . . 39 V N . 6866 1 349 . 1 1 40 40 LEU H H 1 8.843 0.05 . 1 . . . . 40 L H . 6866 1 350 . 1 1 40 40 LEU HA H 1 5.130 0.05 . 1 . . . . 40 L HA . 6866 1 351 . 1 1 40 40 LEU HB2 H 1 1.461 0.05 . 2 . . . . 40 L HB2 . 6866 1 352 . 1 1 40 40 LEU HB3 H 1 1.791 0.05 . 2 . . . . 40 L HB3 . 6866 1 353 . 1 1 40 40 LEU HG H 1 1.481 0.05 . 1 . . . . 40 L HG . 6866 1 354 . 1 1 40 40 LEU HD11 H 1 0.808 0.05 . 2 . . . . 40 L QD1 . 6866 1 355 . 1 1 40 40 LEU HD12 H 1 0.808 0.05 . 2 . . . . 40 L QD1 . 6866 1 356 . 1 1 40 40 LEU HD13 H 1 0.808 0.05 . 2 . . . . 40 L QD1 . 6866 1 357 . 1 1 40 40 LEU HD21 H 1 0.714 0.05 . 2 . . . . 40 L QD2 . 6866 1 358 . 1 1 40 40 LEU HD22 H 1 0.714 0.05 . 2 . . . . 40 L QD2 . 6866 1 359 . 1 1 40 40 LEU HD23 H 1 0.714 0.05 . 2 . . . . 40 L QD2 . 6866 1 360 . 1 1 40 40 LEU C C 13 175.581 0.15 . 1 . . . . 40 L C . 6866 1 361 . 1 1 40 40 LEU CA C 13 53.702 0.15 . 1 . . . . 40 L CA . 6866 1 362 . 1 1 40 40 LEU CB C 13 43.989 0.15 . 1 . . . . 40 L CB . 6866 1 363 . 1 1 40 40 LEU CG C 13 27.647 0.15 . 1 . . . . 40 L CG . 6866 1 364 . 1 1 40 40 LEU CD1 C 13 25.528 0.15 . 2 . . . . 40 L CD1 . 6866 1 365 . 1 1 40 40 LEU CD2 C 13 23.676 0.15 . 2 . . . . 40 L CD2 . 6866 1 366 . 1 1 40 40 LEU N N 15 128.413 0.15 . 1 . . . . 40 L N . 6866 1 367 . 1 1 41 41 CYS H H 1 8.959 0.05 . 1 . . . . 41 C H . 6866 1 368 . 1 1 41 41 CYS HA H 1 5.174 0.05 . 1 . . . . 41 C HA . 6866 1 369 . 1 1 41 41 CYS HB2 H 1 2.901 0.05 . 2 . . . . 41 C HB2 . 6866 1 370 . 1 1 41 41 CYS HB3 H 1 2.589 0.05 . 2 . . . . 41 C HB3 . 6866 1 371 . 1 1 41 41 CYS C C 13 175.043 0.15 . 1 . . . . 41 C C . 6866 1 372 . 1 1 41 41 CYS CA C 13 57.483 0.15 . 1 . . . . 41 C CA . 6866 1 373 . 1 1 41 41 CYS CB C 13 28.472 0.15 . 1 . . . . 41 C CB . 6866 1 374 . 1 1 41 41 CYS N N 15 124.738 0.15 . 1 . . . . 41 C N . 6866 1 375 . 1 1 42 42 SER H H 1 9.527 0.05 . 1 . . . . 42 S H . 6866 1 376 . 1 1 42 42 SER HA H 1 4.149 0.05 . 1 . . . . 42 S HA . 6866 1 377 . 1 1 42 42 SER HB2 H 1 3.944 0.05 . 1 . . . . 42 S QB . 6866 1 378 . 1 1 42 42 SER HB3 H 1 3.944 0.05 . 1 . . . . 42 S QB . 6866 1 379 . 1 1 42 42 SER C C 13 175.014 0.15 . 1 . . . . 42 S C . 6866 1 380 . 1 1 42 42 SER CA C 13 59.058 0.15 . 1 . . . . 42 S CA . 6866 1 381 . 1 1 42 42 SER CB C 13 62.287 0.15 . 1 . . . . 42 S CB . 6866 1 382 . 1 1 42 42 SER N N 15 125.889 0.15 . 1 . . . . 42 S N . 6866 1 383 . 1 1 43 43 GLY H H 1 8.685 0.05 . 1 . . . . 43 G H . 6866 1 384 . 1 1 43 43 GLY HA2 H 1 3.594 0.05 . 2 . . . . 43 G HA2 . 6866 1 385 . 1 1 43 43 GLY HA3 H 1 4.210 0.05 . 2 . . . . 43 G HA3 . 6866 1 386 . 1 1 43 43 GLY C C 13 173.664 0.15 . 1 . . . . 43 G C . 6866 1 387 . 1 1 43 43 GLY CA C 13 45.404 0.15 . 1 . . . . 43 G CA . 6866 1 388 . 1 1 43 43 GLY N N 15 104.633 0.15 . 1 . . . . 43 G N . 6866 1 389 . 1 1 44 44 ARG H H 1 7.926 0.05 . 1 . . . . 44 R H . 6866 1 390 . 1 1 44 44 ARG HA H 1 4.678 0.05 . 1 . . . . 44 R HA . 6866 1 391 . 1 1 44 44 ARG HB2 H 1 1.910 0.05 . 2 . . . . 44 R HB2 . 6866 1 392 . 1 1 44 44 ARG HG2 H 1 1.685 0.05 . 2 . . . . 44 R HG2 . 6866 1 393 . 1 1 44 44 ARG HG3 H 1 1.606 0.05 . 2 . . . . 44 R HG3 . 6866 1 394 . 1 1 44 44 ARG HD2 H 1 3.196 0.05 . 2 . . . . 44 R HD2 . 6866 1 395 . 1 1 44 44 ARG C C 13 175.261 0.15 . 1 . . . . 44 R C . 6866 1 396 . 1 1 44 44 ARG CA C 13 55.011 0.15 . 1 . . . . 44 R CA . 6866 1 397 . 1 1 44 44 ARG CB C 13 32.138 0.15 . 1 . . . . 44 R CB . 6866 1 398 . 1 1 44 44 ARG CG C 13 27.370 0.15 . 1 . . . . 44 R CG . 6866 1 399 . 1 1 44 44 ARG CD C 13 43.555 0.15 . 1 . . . . 44 R CD . 6866 1 400 . 1 1 44 44 ARG N N 15 121.239 0.15 . 1 . . . . 44 R N . 6866 1 401 . 1 1 45 45 ARG H H 1 8.775 0.05 . 1 . . . . 45 R H . 6866 1 402 . 1 1 45 45 ARG HA H 1 5.770 0.05 . 1 . . . . 45 R HA . 6866 1 403 . 1 1 45 45 ARG HB2 H 1 1.749 0.05 . 2 . . . . 45 R HB2 . 6866 1 404 . 1 1 45 45 ARG HB3 H 1 1.634 0.05 . 2 . . . . 45 R HB3 . 6866 1 405 . 1 1 45 45 ARG HG2 H 1 1.489 0.05 . 2 . . . . 45 R HG2 . 6866 1 406 . 1 1 45 45 ARG HG3 H 1 1.431 0.05 . 2 . . . . 45 R HG3 . 6866 1 407 . 1 1 45 45 ARG HD2 H 1 3.071 0.05 . 2 . . . . 45 R HD2 . 6866 1 408 . 1 1 45 45 ARG HD3 H 1 3.138 0.05 . 2 . . . . 45 R HD3 . 6866 1 409 . 1 1 45 45 ARG C C 13 176.064 0.15 . 1 . . . . 45 R C . 6866 1 410 . 1 1 45 45 ARG CA C 13 54.683 0.15 . 1 . . . . 45 R CA . 6866 1 411 . 1 1 45 45 ARG CB C 13 33.748 0.15 . 1 . . . . 45 R CB . 6866 1 412 . 1 1 45 45 ARG CG C 13 27.977 0.15 . 1 . . . . 45 R CG . 6866 1 413 . 1 1 45 45 ARG CD C 13 43.456 0.15 . 1 . . . . 45 R CD . 6866 1 414 . 1 1 45 45 ARG N N 15 125.948 0.15 . 1 . . . . 45 R N . 6866 1 415 . 1 1 46 46 HIS H H 1 8.912 0.05 . 1 . . . . 46 H H . 6866 1 416 . 1 1 46 46 HIS HA H 1 4.927 0.05 . 1 . . . . 46 H HA . 6866 1 417 . 1 1 46 46 HIS HB2 H 1 3.177 0.05 . 1 . . . . 46 H QB . 6866 1 418 . 1 1 46 46 HIS HB3 H 1 3.177 0.05 . 1 . . . . 46 H QB . 6866 1 419 . 1 1 46 46 HIS HD2 H 1 6.629 0.05 . 4 . . . . 46 H HD2 . 6866 1 420 . 1 1 46 46 HIS C C 13 172.634 0.15 . 1 . . . . 46 H C . 6866 1 421 . 1 1 46 46 HIS CA C 13 56.480 0.15 . 1 . . . . 46 H CA . 6866 1 422 . 1 1 46 46 HIS CB C 13 33.608 0.15 . 1 . . . . 46 H CB . 6866 1 423 . 1 1 46 46 HIS N N 15 121.825 0.15 . 1 . . . . 46 H N . 6866 1 424 . 1 1 47 47 THR H H 1 8.532 0.05 . 1 . . . . 47 T H . 6866 1 425 . 1 1 47 47 THR HA H 1 5.472 0.05 . 1 . . . . 47 T HA . 6866 1 426 . 1 1 47 47 THR HB H 1 3.851 0.05 . 1 . . . . 47 T HB . 6866 1 427 . 1 1 47 47 THR HG21 H 1 1.011 0.05 . 1 . . . . 47 T QG2 . 6866 1 428 . 1 1 47 47 THR HG22 H 1 1.011 0.05 . 1 . . . . 47 T QG2 . 6866 1 429 . 1 1 47 47 THR HG23 H 1 1.011 0.05 . 1 . . . . 47 T QG2 . 6866 1 430 . 1 1 47 47 THR C C 13 174.442 0.15 . 1 . . . . 47 T C . 6866 1 431 . 1 1 47 47 THR CA C 13 61.093 0.15 . 1 . . . . 47 T CA . 6866 1 432 . 1 1 47 47 THR CB C 13 71.041 0.15 . 1 . . . . 47 T CB . 6866 1 433 . 1 1 47 47 THR CG2 C 13 21.780 0.15 . 1 . . . . 47 T CG2 . 6866 1 434 . 1 1 47 47 THR N N 15 115.450 0.15 . 1 . . . . 47 T N . 6866 1 435 . 1 1 48 48 VAL H H 1 9.695 0.05 . 1 . . . . 48 V H . 6866 1 436 . 1 1 48 48 VAL HA H 1 4.677 0.05 . 1 . . . . 48 V HA . 6866 1 437 . 1 1 48 48 VAL HB H 1 1.946 0.05 . 1 . . . . 48 V HB . 6866 1 438 . 1 1 48 48 VAL HG11 H 1 0.838 0.05 . 2 . . . . 48 V QG1 . 6866 1 439 . 1 1 48 48 VAL HG12 H 1 0.838 0.05 . 2 . . . . 48 V QG1 . 6866 1 440 . 1 1 48 48 VAL HG13 H 1 0.838 0.05 . 2 . . . . 48 V QG1 . 6866 1 441 . 1 1 48 48 VAL HG21 H 1 0.824 0.05 . 2 . . . . 48 V QG2 . 6866 1 442 . 1 1 48 48 VAL HG22 H 1 0.824 0.05 . 2 . . . . 48 V QG2 . 6866 1 443 . 1 1 48 48 VAL HG23 H 1 0.824 0.05 . 2 . . . . 48 V QG2 . 6866 1 444 . 1 1 48 48 VAL CA C 13 58.172 0.15 . 1 . . . . 48 V CA . 6866 1 445 . 1 1 48 48 VAL CB C 13 34.990 0.15 . 1 . . . . 48 V CB . 6866 1 446 . 1 1 48 48 VAL CG1 C 13 21.206 0.15 . 2 . . . . 48 V CG1 . 6866 1 447 . 1 1 48 48 VAL CG2 C 13 20.772 0.15 . 2 . . . . 48 V CG2 . 6866 1 448 . 1 1 48 48 VAL N N 15 126.721 0.15 . 1 . . . . 48 V N . 6866 1 449 . 1 1 49 49 PRO HA H 1 5.087 0.05 . 1 . . . . 49 P HA . 6866 1 450 . 1 1 49 49 PRO HB2 H 1 2.089 0.05 . 2 . . . . 49 P HB2 . 6866 1 451 . 1 1 49 49 PRO HB3 H 1 1.919 0.05 . 2 . . . . 49 P HB3 . 6866 1 452 . 1 1 49 49 PRO HD2 H 1 3.783 0.05 . 2 . . . . 49 P HD2 . 6866 1 453 . 1 1 49 49 PRO CA C 13 61.671 0.15 . 1 . . . . 49 P CA . 6866 1 454 . 1 1 49 49 PRO CB C 13 31.923 0.15 . 1 . . . . 49 P CB . 6866 1 455 . 1 1 49 49 PRO CG C 13 27.484 0.15 . 1 . . . . 49 P CG . 6866 1 456 . 1 1 49 49 PRO CD C 13 50.774 0.15 . 1 . . . . 49 P CD . 6866 1 457 . 1 1 50 50 ARG H H 1 9.125 0.05 . 1 . . . . 50 R H . 6866 1 458 . 1 1 50 50 ARG HA H 1 4.974 0.05 . 1 . . . . 50 R HA . 6866 1 459 . 1 1 50 50 ARG HB2 H 1 1.730 0.05 . 2 . . . . 50 R HB2 . 6866 1 460 . 1 1 50 50 ARG HB3 H 1 1.297 0.05 . 2 . . . . 50 R HB3 . 6866 1 461 . 1 1 50 50 ARG HG2 H 1 1.144 0.05 . 2 . . . . 50 R HG2 . 6866 1 462 . 1 1 50 50 ARG HD2 H 1 2.044 0.05 . 2 . . . . 50 R HD2 . 6866 1 463 . 1 1 50 50 ARG HD3 H 1 3.392 0.05 . 2 . . . . 50 R HD3 . 6866 1 464 . 1 1 50 50 ARG C C 13 176.187 0.15 . 1 . . . . 50 R C . 6866 1 465 . 1 1 50 50 ARG CA C 13 53.015 0.15 . 1 . . . . 50 R CA . 6866 1 466 . 1 1 50 50 ARG CB C 13 36.553 0.15 . 1 . . . . 50 R CB . 6866 1 467 . 1 1 50 50 ARG CD C 13 43.860 0.15 . 1 . . . . 50 R CD . 6866 1 468 . 1 1 50 50 ARG N N 15 124.189 0.15 . 1 . . . . 50 R N . 6866 1 469 . 1 1 51 51 ARG H H 1 10.105 0.05 . 1 . . . . 51 R H . 6866 1 470 . 1 1 51 51 ARG HA H 1 5.196 0.05 . 1 . . . . 51 R HA . 6866 1 471 . 1 1 51 51 ARG HB2 H 1 2.000 0.05 . 2 . . . . 51 R HB2 . 6866 1 472 . 1 1 51 51 ARG HB3 H 1 2.605 0.05 . 2 . . . . 51 R HB3 . 6866 1 473 . 1 1 51 51 ARG HG2 H 1 1.943 0.05 . 2 . . . . 51 R HG2 . 6866 1 474 . 1 1 51 51 ARG HD2 H 1 3.161 0.05 . 2 . . . . 51 R HD2 . 6866 1 475 . 1 1 51 51 ARG C C 13 178.865 0.15 . 1 . . . . 51 R C . 6866 1 476 . 1 1 51 51 ARG CA C 13 55.961 0.15 . 1 . . . . 51 R CA . 6866 1 477 . 1 1 51 51 ARG CB C 13 32.539 0.15 . 1 . . . . 51 R CB . 6866 1 478 . 1 1 51 51 ARG CG C 13 28.188 0.15 . 1 . . . . 51 R CG . 6866 1 479 . 1 1 51 51 ARG CD C 13 43.760 0.15 . 1 . . . . 51 R CD . 6866 1 480 . 1 1 51 51 ARG N N 15 124.521 0.15 . 1 . . . . 51 R N . 6866 1 481 . 1 1 52 52 TYR H H 1 10.397 0.05 . 1 . . . . 52 Y H . 6866 1 482 . 1 1 52 52 TYR HA H 1 4.360 0.05 . 1 . . . . 52 Y HA . 6866 1 483 . 1 1 52 52 TYR HB2 H 1 3.464 0.05 . 2 . . . . 52 Y HB2 . 6866 1 484 . 1 1 52 52 TYR HB3 H 1 3.492 0.05 . 2 . . . . 52 Y HB3 . 6866 1 485 . 1 1 52 52 TYR HD1 H 1 7.008 0.05 . 4 . . . . 52 Y QD . 6866 1 486 . 1 1 52 52 TYR HD2 H 1 7.008 0.05 . 4 . . . . 52 Y QD . 6866 1 487 . 1 1 52 52 TYR C C 13 178.143 0.15 . 1 . . . . 52 Y C . 6866 1 488 . 1 1 52 52 TYR CA C 13 63.538 0.15 . 1 . . . . 52 Y CA . 6866 1 489 . 1 1 52 52 TYR CB C 13 38.784 0.15 . 1 . . . . 52 Y CB . 6866 1 490 . 1 1 52 52 TYR N N 15 124.772 0.15 . 1 . . . . 52 Y N . 6866 1 491 . 1 1 53 53 SER H H 1 9.231 0.05 . 1 . . . . 53 S H . 6866 1 492 . 1 1 53 53 SER HA H 1 4.175 0.05 . 1 . . . . 53 S HA . 6866 1 493 . 1 1 53 53 SER C C 13 177.220 0.15 . 1 . . . . 53 S C . 6866 1 494 . 1 1 53 53 SER CA C 13 61.606 0.15 . 1 . . . . 53 S CA . 6866 1 495 . 1 1 53 53 SER N N 15 113.262 0.15 . 1 . . . . 53 S N . 6866 1 496 . 1 1 54 54 GLU H H 1 7.807 0.05 . 1 . . . . 54 E H . 6866 1 497 . 1 1 54 54 GLU HA H 1 4.392 0.05 . 1 . . . . 54 E HA . 6866 1 498 . 1 1 54 54 GLU HB2 H 1 2.309 0.05 . 2 . . . . 54 E HB2 . 6866 1 499 . 1 1 54 54 GLU HB3 H 1 2.666 0.05 . 2 . . . . 54 E HB3 . 6866 1 500 . 1 1 54 54 GLU HG2 H 1 2.436 0.05 . 2 . . . . 54 E HG2 . 6866 1 501 . 1 1 54 54 GLU C C 13 180.361 0.15 . 1 . . . . 54 E C . 6866 1 502 . 1 1 54 54 GLU CA C 13 59.497 0.15 . 1 . . . . 54 E CA . 6866 1 503 . 1 1 54 54 GLU CB C 13 30.708 0.15 . 1 . . . . 54 E CB . 6866 1 504 . 1 1 54 54 GLU N N 15 121.949 0.15 . 1 . . . . 54 E N . 6866 1 505 . 1 1 55 55 PHE H H 1 8.133 0.05 . 1 . . . . 55 F H . 6866 1 506 . 1 1 55 55 PHE HA H 1 4.007 0.05 . 1 . . . . 55 F HA . 6866 1 507 . 1 1 55 55 PHE HB2 H 1 2.821 0.05 . 2 . . . . 55 F HB2 . 6866 1 508 . 1 1 55 55 PHE HB3 H 1 3.498 0.05 . 2 . . . . 55 F HB3 . 6866 1 509 . 1 1 55 55 PHE HD1 H 1 7.461 0.05 . 4 . . . . 55 F QD . 6866 1 510 . 1 1 55 55 PHE HD2 H 1 7.461 0.05 . 4 . . . . 55 F QD . 6866 1 511 . 1 1 55 55 PHE HE1 H 1 6.557 0.05 . 4 . . . . 55 F QE . 6866 1 512 . 1 1 55 55 PHE HE2 H 1 6.557 0.05 . 4 . . . . 55 F QE . 6866 1 513 . 1 1 55 55 PHE C C 13 176.531 0.15 . 1 . . . . 55 F C . 6866 1 514 . 1 1 55 55 PHE CA C 13 61.848 0.15 . 1 . . . . 55 F CA . 6866 1 515 . 1 1 55 55 PHE CB C 13 38.847 0.15 . 1 . . . . 55 F CB . 6866 1 516 . 1 1 55 55 PHE N N 15 119.998 0.15 . 1 . . . . 55 F N . 6866 1 517 . 1 1 56 56 HIS H H 1 7.907 0.05 . 1 . . . . 56 H H . 6866 1 518 . 1 1 56 56 HIS HA H 1 3.324 0.05 . 1 . . . . 56 H HA . 6866 1 519 . 1 1 56 56 HIS HB2 H 1 2.968 0.05 . 2 . . . . 56 H HB2 . 6866 1 520 . 1 1 56 56 HIS HB3 H 1 2.445 0.05 . 2 . . . . 56 H HB3 . 6866 1 521 . 1 1 56 56 HIS HD2 H 1 6.269 0.05 . 4 . . . . 56 H HD2 . 6866 1 522 . 1 1 56 56 HIS C C 13 176.748 0.15 . 1 . . . . 56 H C . 6866 1 523 . 1 1 56 56 HIS CA C 13 58.770 0.15 . 1 . . . . 56 H CA . 6866 1 524 . 1 1 56 56 HIS CB C 13 30.404 0.15 . 1 . . . . 56 H CB . 6866 1 525 . 1 1 56 56 HIS N N 15 119.173 0.15 . 1 . . . . 56 H N . 6866 1 526 . 1 1 57 57 ALA H H 1 7.962 0.05 . 1 . . . . 57 A H . 6866 1 527 . 1 1 57 57 ALA HA H 1 3.865 0.05 . 1 . . . . 57 A HA . 6866 1 528 . 1 1 57 57 ALA HB1 H 1 1.504 0.05 . 1 . . . . 57 A QB . 6866 1 529 . 1 1 57 57 ALA HB2 H 1 1.504 0.05 . 1 . . . . 57 A QB . 6866 1 530 . 1 1 57 57 ALA HB3 H 1 1.504 0.05 . 1 . . . . 57 A QB . 6866 1 531 . 1 1 57 57 ALA C C 13 180.075 0.15 . 1 . . . . 57 A C . 6866 1 532 . 1 1 57 57 ALA CA C 13 54.996 0.15 . 1 . . . . 57 A CA . 6866 1 533 . 1 1 57 57 ALA CB C 13 18.226 0.15 . 1 . . . . 57 A CB . 6866 1 534 . 1 1 57 57 ALA N N 15 120.094 0.15 . 1 . . . . 57 A N . 6866 1 535 . 1 1 58 58 LEU H H 1 7.295 0.05 . 1 . . . . 58 L H . 6866 1 536 . 1 1 58 58 LEU HA H 1 3.994 0.05 . 1 . . . . 58 L HA . 6866 1 537 . 1 1 58 58 LEU HB2 H 1 1.179 0.05 . 2 . . . . 58 L HB2 . 6866 1 538 . 1 1 58 58 LEU HB3 H 1 1.935 0.05 . 2 . . . . 58 L HB3 . 6866 1 539 . 1 1 58 58 LEU HG H 1 1.302 0.05 . 1 . . . . 58 L HG . 6866 1 540 . 1 1 58 58 LEU HD11 H 1 0.569 0.05 . 2 . . . . 58 L QD1 . 6866 1 541 . 1 1 58 58 LEU HD12 H 1 0.569 0.05 . 2 . . . . 58 L QD1 . 6866 1 542 . 1 1 58 58 LEU HD13 H 1 0.569 0.05 . 2 . . . . 58 L QD1 . 6866 1 543 . 1 1 58 58 LEU HD21 H 1 -0.000 0.05 . 2 . . . . 58 L QD2 . 6866 1 544 . 1 1 58 58 LEU HD22 H 1 -0.000 0.05 . 2 . . . . 58 L QD2 . 6866 1 545 . 1 1 58 58 LEU HD23 H 1 -0.000 0.05 . 2 . . . . 58 L QD2 . 6866 1 546 . 1 1 58 58 LEU C C 13 177.428 0.15 . 1 . . . . 58 L C . 6866 1 547 . 1 1 58 58 LEU CA C 13 58.342 0.15 . 1 . . . . 58 L CA . 6866 1 548 . 1 1 58 58 LEU CB C 13 40.851 0.15 . 1 . . . . 58 L CB . 6866 1 549 . 1 1 58 58 LEU CG C 13 26.810 0.15 . 1 . . . . 58 L CG . 6866 1 550 . 1 1 58 58 LEU CD1 C 13 23.524 0.15 . 1 . . . . 58 L CD1 . 6866 1 551 . 1 1 58 58 LEU CD2 C 13 24.885 0.15 . 1 . . . . 58 L CD2 . 6866 1 552 . 1 1 58 58 LEU N N 15 119.404 0.15 . 1 . . . . 58 L N . 6866 1 553 . 1 1 59 59 HIS H H 1 7.805 0.05 . 1 . . . . 59 H H . 6866 1 554 . 1 1 59 59 HIS HA H 1 4.286 0.05 . 1 . . . . 59 H HA . 6866 1 555 . 1 1 59 59 HIS HB2 H 1 2.577 0.05 . 1 . . . . 59 H QB . 6866 1 556 . 1 1 59 59 HIS HB3 H 1 2.577 0.05 . 1 . . . . 59 H QB . 6866 1 557 . 1 1 59 59 HIS HD2 H 1 6.561 0.05 . 4 . . . . 59 H HD2 . 6866 1 558 . 1 1 59 59 HIS C C 13 177.001 0.15 . 1 . . . . 59 H C . 6866 1 559 . 1 1 59 59 HIS CA C 13 60.141 0.15 . 1 . . . . 59 H CA . 6866 1 560 . 1 1 59 59 HIS CB C 13 31.072 0.15 . 1 . . . . 59 H CB . 6866 1 561 . 1 1 59 59 HIS N N 15 119.040 0.15 . 1 . . . . 59 H N . 6866 1 562 . 1 1 60 60 LYS H H 1 7.715 0.05 . 1 . . . . 60 K H . 6866 1 563 . 1 1 60 60 LYS HA H 1 3.456 0.05 . 1 . . . . 60 K HA . 6866 1 564 . 1 1 60 60 LYS HB2 H 1 1.688 0.05 . 2 . . . . 60 K HB2 . 6866 1 565 . 1 1 60 60 LYS HB3 H 1 1.652 0.05 . 2 . . . . 60 K HB3 . 6866 1 566 . 1 1 60 60 LYS HG2 H 1 1.330 0.05 . 2 . . . . 60 K HG2 . 6866 1 567 . 1 1 60 60 LYS HG3 H 1 1.258 0.05 . 2 . . . . 60 K HG3 . 6866 1 568 . 1 1 60 60 LYS HD2 H 1 1.456 0.05 . 2 . . . . 60 K HD2 . 6866 1 569 . 1 1 60 60 LYS HE2 H 1 2.628 0.05 . 2 . . . . 60 K HE2 . 6866 1 570 . 1 1 60 60 LYS C C 13 178.464 0.15 . 1 . . . . 60 K C . 6866 1 571 . 1 1 60 60 LYS CA C 13 59.629 0.15 . 1 . . . . 60 K CA . 6866 1 572 . 1 1 60 60 LYS CB C 13 32.354 0.15 . 1 . . . . 60 K CB . 6866 1 573 . 1 1 60 60 LYS CG C 13 25.375 0.15 . 1 . . . . 60 K CG . 6866 1 574 . 1 1 60 60 LYS CD C 13 29.171 0.15 . 1 . . . . 60 K CD . 6866 1 575 . 1 1 60 60 LYS CE C 13 41.630 0.15 . 1 . . . . 60 K CE . 6866 1 576 . 1 1 60 60 LYS N N 15 114.225 0.15 . 1 . . . . 60 K N . 6866 1 577 . 1 1 61 61 ARG H H 1 7.486 0.05 . 1 . . . . 61 R H . 6866 1 578 . 1 1 61 61 ARG HA H 1 4.202 0.05 . 1 . . . . 61 R HA . 6866 1 579 . 1 1 61 61 ARG HB2 H 1 1.967 0.05 . 1 . . . . 61 R QB . 6866 1 580 . 1 1 61 61 ARG HB3 H 1 1.967 0.05 . 1 . . . . 61 R QB . 6866 1 581 . 1 1 61 61 ARG HG2 H 1 1.668 0.05 . 2 . . . . 61 R HG2 . 6866 1 582 . 1 1 61 61 ARG HG3 H 1 1.815 0.05 . 2 . . . . 61 R HG3 . 6866 1 583 . 1 1 61 61 ARG HD2 H 1 3.172 0.05 . 2 . . . . 61 R HD2 . 6866 1 584 . 1 1 61 61 ARG C C 13 178.995 0.15 . 1 . . . . 61 R C . 6866 1 585 . 1 1 61 61 ARG CA C 13 58.387 0.15 . 1 . . . . 61 R CA . 6866 1 586 . 1 1 61 61 ARG CB C 13 31.216 0.15 . 1 . . . . 61 R CB . 6866 1 587 . 1 1 61 61 ARG CG C 13 27.577 0.15 . 1 . . . . 61 R CG . 6866 1 588 . 1 1 61 61 ARG CD C 13 43.787 0.15 . 1 . . . . 61 R CD . 6866 1 589 . 1 1 61 61 ARG N N 15 115.929 0.15 . 1 . . . . 61 R N . 6866 1 590 . 1 1 62 62 ILE H H 1 8.066 0.05 . 1 . . . . 62 I H . 6866 1 591 . 1 1 62 62 ILE HA H 1 4.491 0.05 . 1 . . . . 62 I HA . 6866 1 592 . 1 1 62 62 ILE HB H 1 2.150 0.05 . 1 . . . . 62 I HB . 6866 1 593 . 1 1 62 62 ILE HG12 H 1 1.258 0.05 . 2 . . . . 62 I HG12 . 6866 1 594 . 1 1 62 62 ILE HG13 H 1 1.669 0.05 . 2 . . . . 62 I HG13 . 6866 1 595 . 1 1 62 62 ILE HG21 H 1 0.854 0.05 . 1 . . . . 62 I QG2 . 6866 1 596 . 1 1 62 62 ILE HG22 H 1 0.854 0.05 . 1 . . . . 62 I QG2 . 6866 1 597 . 1 1 62 62 ILE HG23 H 1 0.854 0.05 . 1 . . . . 62 I QG2 . 6866 1 598 . 1 1 62 62 ILE HD11 H 1 0.707 0.05 . 1 . . . . 62 I QD1 . 6866 1 599 . 1 1 62 62 ILE HD12 H 1 0.707 0.05 . 1 . . . . 62 I QD1 . 6866 1 600 . 1 1 62 62 ILE HD13 H 1 0.707 0.05 . 1 . . . . 62 I QD1 . 6866 1 601 . 1 1 62 62 ILE C C 13 177.838 0.15 . 1 . . . . 62 I C . 6866 1 602 . 1 1 62 62 ILE CA C 13 63.399 0.15 . 1 . . . . 62 I CA . 6866 1 603 . 1 1 62 62 ILE CB C 13 39.699 0.15 . 1 . . . . 62 I CB . 6866 1 604 . 1 1 62 62 ILE CG2 C 13 18.033 0.15 . 1 . . . . 62 I CG2 . 6866 1 605 . 1 1 62 62 ILE CD1 C 13 14.204 0.15 . 1 . . . . 62 I CD1 . 6866 1 606 . 1 1 62 62 ILE N N 15 111.456 0.15 . 1 . . . . 62 I N . 6866 1 607 . 1 1 63 63 LYS H H 1 8.158 0.05 . 1 . . . . 63 K H . 6866 1 608 . 1 1 63 63 LYS HA H 1 4.136 0.05 . 1 . . . . 63 K HA . 6866 1 609 . 1 1 63 63 LYS HB2 H 1 1.239 0.05 . 2 . . . . 63 K HB2 . 6866 1 610 . 1 1 63 63 LYS HB3 H 1 1.659 0.05 . 2 . . . . 63 K HB3 . 6866 1 611 . 1 1 63 63 LYS HG2 H 1 1.026 0.05 . 2 . . . . 63 K HG2 . 6866 1 612 . 1 1 63 63 LYS HG3 H 1 1.380 0.05 . 2 . . . . 63 K HG3 . 6866 1 613 . 1 1 63 63 LYS HD2 H 1 1.284 0.05 . 2 . . . . 63 K HD2 . 6866 1 614 . 1 1 63 63 LYS HE2 H 1 2.923 0.05 . 2 . . . . 63 K HE2 . 6866 1 615 . 1 1 63 63 LYS C C 13 176.358 0.15 . 1 . . . . 63 K C . 6866 1 616 . 1 1 63 63 LYS CA C 13 58.753 0.15 . 1 . . . . 63 K CA . 6866 1 617 . 1 1 63 63 LYS CB C 13 30.825 0.15 . 1 . . . . 63 K CB . 6866 1 618 . 1 1 63 63 LYS CG C 13 23.265 0.15 . 1 . . . . 63 K CG . 6866 1 619 . 1 1 63 63 LYS CD C 13 29.273 0.15 . 1 . . . . 63 K CD . 6866 1 620 . 1 1 63 63 LYS CE C 13 41.914 0.15 . 1 . . . . 63 K CE . 6866 1 621 . 1 1 63 63 LYS N N 15 120.800 0.15 . 1 . . . . 63 K N . 6866 1 622 . 1 1 64 64 LYS H H 1 7.687 0.05 . 1 . . . . 64 K H . 6866 1 623 . 1 1 64 64 LYS HA H 1 4.301 0.05 . 1 . . . . 64 K HA . 6866 1 624 . 1 1 64 64 LYS HB2 H 1 1.703 0.05 . 2 . . . . 64 K HB2 . 6866 1 625 . 1 1 64 64 LYS HB3 H 1 1.879 0.05 . 2 . . . . 64 K HB3 . 6866 1 626 . 1 1 64 64 LYS HG2 H 1 1.395 0.05 . 2 . . . . 64 K HG2 . 6866 1 627 . 1 1 64 64 LYS HD2 H 1 1.657 0.05 . 2 . . . . 64 K HD2 . 6866 1 628 . 1 1 64 64 LYS C C 13 177.084 0.15 . 1 . . . . 64 K C . 6866 1 629 . 1 1 64 64 LYS CA C 13 57.237 0.15 . 1 . . . . 64 K CA . 6866 1 630 . 1 1 64 64 LYS CB C 13 32.502 0.15 . 1 . . . . 64 K CB . 6866 1 631 . 1 1 64 64 LYS CG C 13 25.131 0.15 . 1 . . . . 64 K CG . 6866 1 632 . 1 1 64 64 LYS CD C 13 28.972 0.15 . 1 . . . . 64 K CD . 6866 1 633 . 1 1 64 64 LYS CE C 13 41.945 0.15 . 1 . . . . 64 K CE . 6866 1 634 . 1 1 64 64 LYS N N 15 116.548 0.15 . 1 . . . . 64 K N . 6866 1 635 . 1 1 65 65 LEU H H 1 7.476 0.05 . 1 . . . . 65 L H . 6866 1 636 . 1 1 65 65 LEU HA H 1 4.219 0.05 . 1 . . . . 65 L HA . 6866 1 637 . 1 1 65 65 LEU HB2 H 1 1.344 0.05 . 2 . . . . 65 L HB2 . 6866 1 638 . 1 1 65 65 LEU HB3 H 1 0.839 0.05 . 2 . . . . 65 L HB3 . 6866 1 639 . 1 1 65 65 LEU HD11 H 1 0.730 0.05 . 2 . . . . 65 L QD1 . 6866 1 640 . 1 1 65 65 LEU HD12 H 1 0.730 0.05 . 2 . . . . 65 L QD1 . 6866 1 641 . 1 1 65 65 LEU HD13 H 1 0.730 0.05 . 2 . . . . 65 L QD1 . 6866 1 642 . 1 1 65 65 LEU HD21 H 1 0.857 0.05 . 2 . . . . 65 L QD2 . 6866 1 643 . 1 1 65 65 LEU HD22 H 1 0.857 0.05 . 2 . . . . 65 L QD2 . 6866 1 644 . 1 1 65 65 LEU HD23 H 1 0.857 0.05 . 2 . . . . 65 L QD2 . 6866 1 645 . 1 1 65 65 LEU C C 13 175.886 0.15 . 1 . . . . 65 L C . 6866 1 646 . 1 1 65 65 LEU CA C 13 55.542 0.15 . 1 . . . . 65 L CA . 6866 1 647 . 1 1 65 65 LEU CB C 13 45.493 0.15 . 1 . . . . 65 L CB . 6866 1 648 . 1 1 65 65 LEU CD1 C 13 22.723 0.15 . 1 . . . . 65 L CD1 . 6866 1 649 . 1 1 65 65 LEU CD2 C 13 25.447 0.15 . 1 . . . . 65 L CD2 . 6866 1 650 . 1 1 65 65 LEU N N 15 118.000 0.15 . 1 . . . . 65 L N . 6866 1 651 . 1 1 66 66 TYR H H 1 7.672 0.05 . 1 . . . . 66 Y H . 6866 1 652 . 1 1 66 66 TYR HA H 1 4.762 0.05 . 1 . . . . 66 Y HA . 6866 1 653 . 1 1 66 66 TYR HB2 H 1 3.160 0.05 . 2 . . . . 66 Y HB2 . 6866 1 654 . 1 1 66 66 TYR HB3 H 1 2.341 0.05 . 2 . . . . 66 Y HB3 . 6866 1 655 . 1 1 66 66 TYR HD1 H 1 7.179 0.05 . 4 . . . . 66 Y QD . 6866 1 656 . 1 1 66 66 TYR HD2 H 1 7.179 0.05 . 4 . . . . 66 Y QD . 6866 1 657 . 1 1 66 66 TYR HE1 H 1 6.842 0.05 . 4 . . . . 66 Y QE . 6866 1 658 . 1 1 66 66 TYR HE2 H 1 6.842 0.05 . 4 . . . . 66 Y QE . 6866 1 659 . 1 1 66 66 TYR HH H 1 12.093 0.05 . 1 . . . . 66 Y HH . 6866 1 660 . 1 1 66 66 TYR C C 13 174.199 0.15 . 1 . . . . 66 Y C . 6866 1 661 . 1 1 66 66 TYR CA C 13 56.013 0.15 . 1 . . . . 66 Y CA . 6866 1 662 . 1 1 66 66 TYR CB C 13 40.380 0.15 . 1 . . . . 66 Y CB . 6866 1 663 . 1 1 66 66 TYR N N 15 116.805 0.15 . 1 . . . . 66 Y N . 6866 1 664 . 1 1 67 67 LYS H H 1 8.547 0.05 . 1 . . . . 67 K H . 6866 1 665 . 1 1 67 67 LYS HA H 1 4.436 0.05 . 1 . . . . 67 K HA . 6866 1 666 . 1 1 67 67 LYS HB2 H 1 1.721 0.05 . 2 . . . . 67 K HB2 . 6866 1 667 . 1 1 67 67 LYS HG2 H 1 1.524 0.05 . 2 . . . . 67 K HG2 . 6866 1 668 . 1 1 67 67 LYS HD2 H 1 1.743 0.05 . 2 . . . . 67 K HD2 . 6866 1 669 . 1 1 67 67 LYS HE2 H 1 3.047 0.05 . 2 . . . . 67 K HE2 . 6866 1 670 . 1 1 67 67 LYS C C 13 175.727 0.15 . 1 . . . . 67 K C . 6866 1 671 . 1 1 67 67 LYS CA C 13 56.598 0.15 . 1 . . . . 67 K CA . 6866 1 672 . 1 1 67 67 LYS CB C 13 32.743 0.15 . 1 . . . . 67 K CB . 6866 1 673 . 1 1 67 67 LYS CG C 13 25.116 0.15 . 1 . . . . 67 K CG . 6866 1 674 . 1 1 67 67 LYS CD C 13 28.990 0.15 . 1 . . . . 67 K CD . 6866 1 675 . 1 1 67 67 LYS CE C 13 42.361 0.15 . 1 . . . . 67 K CE . 6866 1 676 . 1 1 67 67 LYS N N 15 120.929 0.15 . 1 . . . . 67 K N . 6866 1 677 . 1 1 68 68 VAL H H 1 8.168 0.05 . 1 . . . . 68 V H . 6866 1 678 . 1 1 68 68 VAL HA H 1 4.869 0.05 . 1 . . . . 68 V HA . 6866 1 679 . 1 1 68 68 VAL HB H 1 2.319 0.05 . 1 . . . . 68 V HB . 6866 1 680 . 1 1 68 68 VAL HG11 H 1 1.119 0.05 . 2 . . . . 68 V QG1 . 6866 1 681 . 1 1 68 68 VAL HG12 H 1 1.119 0.05 . 2 . . . . 68 V QG1 . 6866 1 682 . 1 1 68 68 VAL HG13 H 1 1.119 0.05 . 2 . . . . 68 V QG1 . 6866 1 683 . 1 1 68 68 VAL HG21 H 1 0.945 0.05 . 2 . . . . 68 V QG2 . 6866 1 684 . 1 1 68 68 VAL HG22 H 1 0.945 0.05 . 2 . . . . 68 V QG2 . 6866 1 685 . 1 1 68 68 VAL HG23 H 1 0.945 0.05 . 2 . . . . 68 V QG2 . 6866 1 686 . 1 1 68 68 VAL CA C 13 57.389 0.15 . 1 . . . . 68 V CA . 6866 1 687 . 1 1 68 68 VAL CB C 13 34.017 0.15 . 1 . . . . 68 V CB . 6866 1 688 . 1 1 68 68 VAL CG1 C 13 19.429 0.15 . 2 . . . . 68 V CG1 . 6866 1 689 . 1 1 68 68 VAL CG2 C 13 22.430 0.15 . 2 . . . . 68 V CG2 . 6866 1 690 . 1 1 68 68 VAL N N 15 116.467 0.15 . 1 . . . . 68 V N . 6866 1 691 . 1 1 69 69 PRO HA H 1 4.674 0.05 . 1 . . . . 69 P HA . 6866 1 692 . 1 1 69 69 PRO HB2 H 1 2.425 0.05 . 2 . . . . 69 P HB2 . 6866 1 693 . 1 1 69 69 PRO HB3 H 1 2.113 0.05 . 2 . . . . 69 P HB3 . 6866 1 694 . 1 1 69 69 PRO HG2 H 1 2.292 0.05 . 2 . . . . 69 P HG2 . 6866 1 695 . 1 1 69 69 PRO HD2 H 1 3.204 0.05 . 2 . . . . 69 P HD2 . 6866 1 696 . 1 1 69 69 PRO C C 13 178.013 0.15 . 1 . . . . 69 P C . 6866 1 697 . 1 1 69 69 PRO CA C 13 61.443 0.15 . 1 . . . . 69 P CA . 6866 1 698 . 1 1 69 69 PRO CB C 13 32.231 0.15 . 1 . . . . 69 P CB . 6866 1 699 . 1 1 69 69 PRO CG C 13 28.000 0.15 . 1 . . . . 69 P CG . 6866 1 700 . 1 1 69 69 PRO CD C 13 50.987 0.15 . 1 . . . . 69 P CD . 6866 1 701 . 1 1 70 70 ASP H H 1 8.167 0.05 . 1 . . . . 70 D H . 6866 1 702 . 1 1 70 70 ASP HA H 1 4.531 0.05 . 1 . . . . 70 D HA . 6866 1 703 . 1 1 70 70 ASP HB2 H 1 2.486 0.05 . 1 . . . . 70 D QB . 6866 1 704 . 1 1 70 70 ASP HB3 H 1 2.486 0.05 . 1 . . . . 70 D QB . 6866 1 705 . 1 1 70 70 ASP C C 13 175.660 0.15 . 1 . . . . 70 D C . 6866 1 706 . 1 1 70 70 ASP CA C 13 55.148 0.15 . 1 . . . . 70 D CA . 6866 1 707 . 1 1 70 70 ASP CB C 13 40.876 0.15 . 1 . . . . 70 D CB . 6866 1 708 . 1 1 70 70 ASP N N 15 116.671 0.15 . 1 . . . . 70 D N . 6866 1 709 . 1 1 71 71 PHE H H 1 8.387 0.05 . 1 . . . . 71 F H . 6866 1 710 . 1 1 71 71 PHE HA H 1 4.076 0.05 . 1 . . . . 71 F HA . 6866 1 711 . 1 1 71 71 PHE HB2 H 1 2.186 0.05 . 2 . . . . 71 F HB2 . 6866 1 712 . 1 1 71 71 PHE HB3 H 1 1.369 0.05 . 2 . . . . 71 F HB3 . 6866 1 713 . 1 1 71 71 PHE HD1 H 1 5.980 0.05 . 4 . . . . 71 F QD . 6866 1 714 . 1 1 71 71 PHE HD2 H 1 5.980 0.05 . 4 . . . . 71 F QD . 6866 1 715 . 1 1 71 71 PHE HE1 H 1 6.943 0.05 . 4 . . . . 71 F QE . 6866 1 716 . 1 1 71 71 PHE HE2 H 1 6.943 0.05 . 4 . . . . 71 F QE . 6866 1 717 . 1 1 71 71 PHE CA C 13 55.672 0.15 . 1 . . . . 71 F CA . 6866 1 718 . 1 1 71 71 PHE CB C 13 39.155 0.15 . 1 . . . . 71 F CB . 6866 1 719 . 1 1 71 71 PHE N N 15 126.533 0.15 . 1 . . . . 71 F N . 6866 1 720 . 1 1 72 72 PRO HA H 1 4.156 0.05 . 1 . . . . 72 P HA . 6866 1 721 . 1 1 72 72 PRO HB2 H 1 1.694 0.05 . 2 . . . . 72 P HB2 . 6866 1 722 . 1 1 72 72 PRO HB3 H 1 1.401 0.05 . 2 . . . . 72 P HB3 . 6866 1 723 . 1 1 72 72 PRO HG2 H 1 0.966 0.05 . 2 . . . . 72 P HG2 . 6866 1 724 . 1 1 72 72 PRO HG3 H 1 1.203 0.05 . 2 . . . . 72 P HG3 . 6866 1 725 . 1 1 72 72 PRO HD2 H 1 2.906 0.05 . 2 . . . . 72 P HD2 . 6866 1 726 . 1 1 72 72 PRO HD3 H 1 1.363 0.05 . 2 . . . . 72 P HD3 . 6866 1 727 . 1 1 72 72 PRO CA C 13 63.079 0.15 . 1 . . . . 72 P CA . 6866 1 728 . 1 1 72 72 PRO CB C 13 32.107 0.15 . 1 . . . . 72 P CB . 6866 1 729 . 1 1 72 72 PRO CG C 13 27.251 0.15 . 1 . . . . 72 P CG . 6866 1 730 . 1 1 72 72 PRO CD C 13 49.487 0.15 . 1 . . . . 72 P CD . 6866 1 731 . 1 1 73 73 SER H H 1 8.468 0.05 . 1 . . . . 73 S H . 6866 1 732 . 1 1 73 73 SER HB2 H 1 3.975 0.05 . 2 . . . . 73 S HB2 . 6866 1 733 . 1 1 73 73 SER CA C 13 56.133 0.15 . 1 . . . . 73 S CA . 6866 1 734 . 1 1 73 73 SER CB C 13 63.991 0.15 . 1 . . . . 73 S CB . 6866 1 735 . 1 1 73 73 SER N N 15 121.533 0.15 . 1 . . . . 73 S N . 6866 1 736 . 1 1 74 74 LYS HA H 1 4.574 0.05 . 1 . . . . 74 K HA . 6866 1 737 . 1 1 74 74 LYS HB2 H 1 1.906 0.05 . 2 . . . . 74 K HB2 . 6866 1 738 . 1 1 74 74 LYS HE2 H 1 2.881 0.05 . 2 . . . . 74 K HE2 . 6866 1 739 . 1 1 74 74 LYS CA C 13 55.659 0.15 . 1 . . . . 74 K CA . 6866 1 740 . 1 1 74 74 LYS CB C 13 30.550 0.15 . 1 . . . . 74 K CB . 6866 1 741 . 1 1 75 75 ARG H H 1 7.962 0.05 . 1 . . . . 75 R H . 6866 1 742 . 1 1 75 75 ARG HA H 1 4.162 0.05 . 1 . . . . 75 R HA . 6866 1 743 . 1 1 75 75 ARG HB2 H 1 1.552 0.05 . 2 . . . . 75 R HB2 . 6866 1 744 . 1 1 75 75 ARG HB3 H 1 1.614 0.05 . 2 . . . . 75 R HB3 . 6866 1 745 . 1 1 75 75 ARG HD2 H 1 3.060 0.05 . 2 . . . . 75 R HD2 . 6866 1 746 . 1 1 75 75 ARG CA C 13 56.123 0.15 . 1 . . . . 75 R CA . 6866 1 747 . 1 1 75 75 ARG CB C 13 31.179 0.15 . 1 . . . . 75 R CB . 6866 1 748 . 1 1 75 75 ARG CD C 13 43.370 0.15 . 1 . . . . 75 R CD . 6866 1 749 . 1 1 75 75 ARG N N 15 121.665 0.15 . 1 . . . . 75 R N . 6866 1 750 . 1 1 76 76 LEU H H 1 8.071 0.05 . 1 . . . . 76 L H . 6866 1 751 . 1 1 76 76 LEU HA H 1 4.618 0.05 . 1 . . . . 76 L HA . 6866 1 752 . 1 1 76 76 LEU HB2 H 1 1.553 0.05 . 2 . . . . 76 L HB2 . 6866 1 753 . 1 1 76 76 LEU HD11 H 1 0.836 0.05 . 2 . . . . 76 L QD1 . 6866 1 754 . 1 1 76 76 LEU HD12 H 1 0.836 0.05 . 2 . . . . 76 L QD1 . 6866 1 755 . 1 1 76 76 LEU HD13 H 1 0.836 0.05 . 2 . . . . 76 L QD1 . 6866 1 756 . 1 1 76 76 LEU HD21 H 1 0.828 0.05 . 2 . . . . 76 L QD2 . 6866 1 757 . 1 1 76 76 LEU HD22 H 1 0.828 0.05 . 2 . . . . 76 L QD2 . 6866 1 758 . 1 1 76 76 LEU HD23 H 1 0.828 0.05 . 2 . . . . 76 L QD2 . 6866 1 759 . 1 1 76 76 LEU CA C 13 52.764 0.15 . 1 . . . . 76 L CA . 6866 1 760 . 1 1 76 76 LEU CB C 13 41.918 0.15 . 1 . . . . 76 L CB . 6866 1 761 . 1 1 76 76 LEU CD2 C 13 23.201 0.15 . 2 . . . . 76 L CD2 . 6866 1 762 . 1 1 76 76 LEU N N 15 124.196 0.15 . 1 . . . . 76 L N . 6866 1 763 . 1 1 77 77 PRO HA H 1 4.393 0.05 . 1 . . . . 77 P HA . 6866 1 764 . 1 1 77 77 PRO HG2 H 1 1.527 0.05 . 2 . . . . 77 P HG2 . 6866 1 765 . 1 1 77 77 PRO HD2 H 1 3.632 0.05 . 2 . . . . 77 P HD2 . 6866 1 766 . 1 1 77 77 PRO HD3 H 1 3.798 0.05 . 2 . . . . 77 P HD3 . 6866 1 767 . 1 1 77 77 PRO CA C 13 63.746 0.15 . 1 . . . . 77 P CA . 6866 1 768 . 1 1 77 77 PRO CG C 13 27.778 0.15 . 1 . . . . 77 P CG . 6866 1 769 . 1 1 77 77 PRO CD C 13 50.629 0.15 . 1 . . . . 77 P CD . 6866 1 770 . 1 1 78 78 ASN H H 1 8.379 0.05 . 1 . . . . 78 N H . 6866 1 771 . 1 1 78 78 ASN HA H 1 4.586 0.05 . 1 . . . . 78 N HA . 6866 1 772 . 1 1 78 78 ASN HB2 H 1 2.844 0.05 . 1 . . . . 78 N QB . 6866 1 773 . 1 1 78 78 ASN HB3 H 1 2.844 0.05 . 1 . . . . 78 N QB . 6866 1 774 . 1 1 78 78 ASN HD21 H 1 7.580 0.05 . 2 . . . . 78 N HD21 . 6866 1 775 . 1 1 78 78 ASN HD22 H 1 6.928 0.05 . 2 . . . . 78 N HD22 . 6866 1 776 . 1 1 78 78 ASN C C 13 175.648 0.15 . 1 . . . . 78 N C . 6866 1 777 . 1 1 78 78 ASN CA C 13 53.591 0.15 . 1 . . . . 78 N CA . 6866 1 778 . 1 1 78 78 ASN CB C 13 37.826 0.15 . 1 . . . . 78 N CB . 6866 1 779 . 1 1 78 78 ASN N N 15 115.292 0.15 . 1 . . . . 78 N N . 6866 1 780 . 1 1 78 78 ASN ND2 N 15 113.066 0.15 . 1 . . . . 78 N ND2 . 6866 1 781 . 1 1 79 79 TRP H H 1 7.900 0.05 . 1 . . . . 79 W H . 6866 1 782 . 1 1 79 79 TRP HA H 1 4.326 0.05 . 1 . . . . 79 W HA . 6866 1 783 . 1 1 79 79 TRP HB2 H 1 3.362 0.05 . 2 . . . . 79 W HB2 . 6866 1 784 . 1 1 79 79 TRP HD1 H 1 7.267 0.05 . 4 . . . . 79 W HD1 . 6866 1 785 . 1 1 79 79 TRP HE1 H 1 10.140 0.05 . 4 . . . . 79 W HE1 . 6866 1 786 . 1 1 79 79 TRP HE3 H 1 7.442 0.05 . 4 . . . . 79 W HE3 . 6866 1 787 . 1 1 79 79 TRP HZ2 H 1 7.122 0.05 . 4 . . . . 79 W HZ2 . 6866 1 788 . 1 1 79 79 TRP CA C 13 58.825 0.15 . 1 . . . . 79 W CA . 6866 1 789 . 1 1 79 79 TRP CB C 13 29.090 0.15 . 1 . . . . 79 W CB . 6866 1 790 . 1 1 79 79 TRP N N 15 119.525 0.15 . 1 . . . . 79 W N . 6866 1 791 . 1 1 79 79 TRP NE1 N 15 129.630 0.15 . 1 . . . . 79 W NE1 . 6866 1 792 . 1 1 80 80 ARG H H 1 8.060 0.05 . 1 . . . . 80 R H . 6866 1 793 . 1 1 80 80 ARG HA H 1 3.913 0.05 . 1 . . . . 80 R HA . 6866 1 794 . 1 1 80 80 ARG HB2 H 1 1.614 0.05 . 2 . . . . 80 R HB2 . 6866 1 795 . 1 1 80 80 ARG HB3 H 1 1.731 0.05 . 2 . . . . 80 R HB3 . 6866 1 796 . 1 1 80 80 ARG HG2 H 1 1.215 0.05 . 2 . . . . 80 R HG2 . 6866 1 797 . 1 1 80 80 ARG HD2 H 1 3.064 0.05 . 2 . . . . 80 R HD2 . 6866 1 798 . 1 1 80 80 ARG C C 13 177.024 0.15 . 1 . . . . 80 R C . 6866 1 799 . 1 1 80 80 ARG CA C 13 58.292 0.15 . 1 . . . . 80 R CA . 6866 1 800 . 1 1 80 80 ARG CB C 13 30.146 0.15 . 1 . . . . 80 R CB . 6866 1 801 . 1 1 80 80 ARG CG C 13 27.358 0.15 . 1 . . . . 80 R CG . 6866 1 802 . 1 1 80 80 ARG CD C 13 43.261 0.15 . 1 . . . . 80 R CD . 6866 1 803 . 1 1 80 80 ARG N N 15 118.864 0.15 . 1 . . . . 80 R N . 6866 1 804 . 1 1 81 81 THR H H 1 7.725 0.05 . 1 . . . . 81 T H . 6866 1 805 . 1 1 81 81 THR HA H 1 4.297 0.05 . 1 . . . . 81 T HA . 6866 1 806 . 1 1 81 81 THR HG21 H 1 1.164 0.05 . 1 . . . . 81 T QG2 . 6866 1 807 . 1 1 81 81 THR HG22 H 1 1.164 0.05 . 1 . . . . 81 T QG2 . 6866 1 808 . 1 1 81 81 THR HG23 H 1 1.164 0.05 . 1 . . . . 81 T QG2 . 6866 1 809 . 1 1 81 81 THR CA C 13 62.481 0.15 . 1 . . . . 81 T CA . 6866 1 810 . 1 1 81 81 THR CG2 C 13 22.049 0.15 . 1 . . . . 81 T CG2 . 6866 1 811 . 1 1 81 81 THR N N 15 109.863 0.15 . 1 . . . . 81 T N . 6866 1 812 . 1 1 82 82 ARG HA H 1 4.341 0.05 . 1 . . . . 82 R HA . 6866 1 813 . 1 1 82 82 ARG HB2 H 1 1.664 0.05 . 2 . . . . 82 R HB2 . 6866 1 814 . 1 1 82 82 ARG HB3 H 1 1.815 0.05 . 2 . . . . 82 R HB3 . 6866 1 815 . 1 1 82 82 ARG HD2 H 1 3.149 0.05 . 2 . . . . 82 R HD2 . 6866 1 816 . 1 1 82 82 ARG C C 13 177.261 0.15 . 1 . . . . 82 R C . 6866 1 817 . 1 1 82 82 ARG CA C 13 56.846 0.15 . 1 . . . . 82 R CA . 6866 1 818 . 1 1 82 82 ARG CB C 13 30.288 0.15 . 1 . . . . 82 R CB . 6866 1 819 . 1 1 82 82 ARG CD C 13 43.219 0.15 . 1 . . . . 82 R CD . 6866 1 820 . 1 1 83 83 GLY H H 1 8.321 0.05 . 1 . . . . 83 G H . 6866 1 821 . 1 1 83 83 GLY HA2 H 1 3.957 0.05 . 2 . . . . 83 G HA2 . 6866 1 822 . 1 1 83 83 GLY C C 13 175.185 0.15 . 1 . . . . 83 G C . 6866 1 823 . 1 1 83 83 GLY CA C 13 46.297 0.15 . 1 . . . . 83 G CA . 6866 1 824 . 1 1 83 83 GLY N N 15 109.146 0.15 . 1 . . . . 83 G N . 6866 1 825 . 1 1 84 84 LEU H H 1 8.303 0.05 . 1 . . . . 84 L H . 6866 1 826 . 1 1 84 84 LEU HA H 1 4.018 0.05 . 1 . . . . 84 L HA . 6866 1 827 . 1 1 84 84 LEU HB2 H 1 1.652 0.05 . 1 . . . . 84 L QB . 6866 1 828 . 1 1 84 84 LEU HB3 H 1 1.652 0.05 . 1 . . . . 84 L QB . 6866 1 829 . 1 1 84 84 LEU HD11 H 1 0.873 0.05 . 2 . . . . 84 L QD1 . 6866 1 830 . 1 1 84 84 LEU HD12 H 1 0.873 0.05 . 2 . . . . 84 L QD1 . 6866 1 831 . 1 1 84 84 LEU HD13 H 1 0.873 0.05 . 2 . . . . 84 L QD1 . 6866 1 832 . 1 1 84 84 LEU HD21 H 1 0.831 0.05 . 2 . . . . 84 L QD2 . 6866 1 833 . 1 1 84 84 LEU HD22 H 1 0.831 0.05 . 2 . . . . 84 L QD2 . 6866 1 834 . 1 1 84 84 LEU HD23 H 1 0.831 0.05 . 2 . . . . 84 L QD2 . 6866 1 835 . 1 1 84 84 LEU C C 13 178.552 0.15 . 1 . . . . 84 L C . 6866 1 836 . 1 1 84 84 LEU CA C 13 58.236 0.15 . 1 . . . . 84 L CA . 6866 1 837 . 1 1 84 84 LEU CB C 13 41.837 0.15 . 1 . . . . 84 L CB . 6866 1 838 . 1 1 84 84 LEU CD1 C 13 24.656 0.15 . 2 . . . . 84 L CD1 . 6866 1 839 . 1 1 84 84 LEU CD2 C 13 24.405 0.15 . 2 . . . . 84 L CD2 . 6866 1 840 . 1 1 84 84 LEU N N 15 122.662 0.15 . 1 . . . . 84 L N . 6866 1 841 . 1 1 85 85 GLU H H 1 8.233 0.05 . 1 . . . . 85 E H . 6866 1 842 . 1 1 85 85 GLU HA H 1 4.371 0.05 . 1 . . . . 85 E HA . 6866 1 843 . 1 1 85 85 GLU HB2 H 1 2.115 0.05 . 2 . . . . 85 E HB2 . 6866 1 844 . 1 1 85 85 GLU HB3 H 1 1.924 0.05 . 2 . . . . 85 E HB3 . 6866 1 845 . 1 1 85 85 GLU HG2 H 1 2.221 0.05 . 2 . . . . 85 E HG2 . 6866 1 846 . 1 1 85 85 GLU C C 13 178.555 0.15 . 1 . . . . 85 E C . 6866 1 847 . 1 1 85 85 GLU CA C 13 58.377 0.15 . 1 . . . . 85 E CA . 6866 1 848 . 1 1 85 85 GLU CB C 13 28.675 0.15 . 1 . . . . 85 E CB . 6866 1 849 . 1 1 85 85 GLU CG C 13 35.065 0.15 . 1 . . . . 85 E CG . 6866 1 850 . 1 1 85 85 GLU N N 15 119.781 0.15 . 1 . . . . 85 E N . 6866 1 851 . 1 1 86 86 GLN H H 1 7.877 0.05 . 1 . . . . 86 Q H . 6866 1 852 . 1 1 86 86 GLN HA H 1 4.100 0.05 . 1 . . . . 86 Q HA . 6866 1 853 . 1 1 86 86 GLN HB2 H 1 2.142 0.05 . 2 . . . . 86 Q HB2 . 6866 1 854 . 1 1 86 86 GLN HB3 H 1 1.992 0.05 . 2 . . . . 86 Q HB3 . 6866 1 855 . 1 1 86 86 GLN HG2 H 1 2.416 0.05 . 2 . . . . 86 Q HG2 . 6866 1 856 . 1 1 86 86 GLN HE21 H 1 6.848 0.05 . 2 . . . . 86 Q HE21 . 6866 1 857 . 1 1 86 86 GLN HE22 H 1 7.518 0.05 . 2 . . . . 86 Q HE22 . 6866 1 858 . 1 1 86 86 GLN C C 13 179.557 0.15 . 1 . . . . 86 Q C . 6866 1 859 . 1 1 86 86 GLN CA C 13 58.955 0.15 . 1 . . . . 86 Q CA . 6866 1 860 . 1 1 86 86 GLN CB C 13 28.191 0.15 . 1 . . . . 86 Q CB . 6866 1 861 . 1 1 86 86 GLN CG C 13 34.689 0.15 . 1 . . . . 86 Q CG . 6866 1 862 . 1 1 86 86 GLN N N 15 118.042 0.15 . 1 . . . . 86 Q N . 6866 1 863 . 1 1 87 87 ARG H H 1 8.169 0.05 . 1 . . . . 87 R H . 6866 1 864 . 1 1 87 87 ARG HA H 1 3.975 0.05 . 1 . . . . 87 R HA . 6866 1 865 . 1 1 87 87 ARG HB2 H 1 1.615 0.05 . 2 . . . . 87 R HB2 . 6866 1 866 . 1 1 87 87 ARG HG2 H 1 1.864 0.05 . 2 . . . . 87 R HG2 . 6866 1 867 . 1 1 87 87 ARG HD2 H 1 2.763 0.05 . 2 . . . . 87 R HD2 . 6866 1 868 . 1 1 87 87 ARG C C 13 177.051 0.15 . 1 . . . . 87 R C . 6866 1 869 . 1 1 87 87 ARG CA C 13 59.006 0.15 . 1 . . . . 87 R CA . 6866 1 870 . 1 1 87 87 ARG CB C 13 30.383 0.15 . 1 . . . . 87 R CB . 6866 1 871 . 1 1 87 87 ARG CD C 13 43.636 0.15 . 1 . . . . 87 R CD . 6866 1 872 . 1 1 87 87 ARG N N 15 121.381 0.15 . 1 . . . . 87 R N . 6866 1 873 . 1 1 88 88 ARG H H 1 8.593 0.05 . 1 . . . . 88 R H . 6866 1 874 . 1 1 88 88 ARG HA H 1 3.726 0.05 . 1 . . . . 88 R HA . 6866 1 875 . 1 1 88 88 ARG HB2 H 1 1.546 0.05 . 2 . . . . 88 R HB2 . 6866 1 876 . 1 1 88 88 ARG C C 13 177.520 0.15 . 1 . . . . 88 R C . 6866 1 877 . 1 1 88 88 ARG CA C 13 60.751 0.15 . 1 . . . . 88 R CA . 6866 1 878 . 1 1 88 88 ARG CB C 13 30.153 0.15 . 1 . . . . 88 R CB . 6866 1 879 . 1 1 88 88 ARG N N 15 120.863 0.15 . 1 . . . . 88 R N . 6866 1 880 . 1 1 89 89 GLN H H 1 8.355 0.05 . 1 . . . . 89 Q H . 6866 1 881 . 1 1 89 89 GLN HA H 1 3.887 0.05 . 1 . . . . 89 Q HA . 6866 1 882 . 1 1 89 89 GLN HB2 H 1 2.138 0.05 . 2 . . . . 89 Q HB2 . 6866 1 883 . 1 1 89 89 GLN HG2 H 1 2.610 0.05 . 2 . . . . 89 Q HG2 . 6866 1 884 . 1 1 89 89 GLN HG3 H 1 2.410 0.05 . 2 . . . . 89 Q HG3 . 6866 1 885 . 1 1 89 89 GLN HE21 H 1 7.662 0.05 . 2 . . . . 89 Q HE21 . 6866 1 886 . 1 1 89 89 GLN HE22 H 1 6.827 0.05 . 2 . . . . 89 Q HE22 . 6866 1 887 . 1 1 89 89 GLN C C 13 179.499 0.15 . 1 . . . . 89 Q C . 6866 1 888 . 1 1 89 89 GLN CA C 13 59.603 0.15 . 1 . . . . 89 Q CA . 6866 1 889 . 1 1 89 89 GLN CB C 13 28.464 0.15 . 1 . . . . 89 Q CB . 6866 1 890 . 1 1 89 89 GLN CG C 13 34.428 0.15 . 1 . . . . 89 Q CG . 6866 1 891 . 1 1 89 89 GLN N N 15 116.860 0.15 . 1 . . . . 89 Q N . 6866 1 892 . 1 1 89 89 GLN NE2 N 15 111.893 0.15 . 1 . . . . 89 Q NE2 . 6866 1 893 . 1 1 90 90 GLY H H 1 8.406 0.05 . 1 . . . . 90 G H . 6866 1 894 . 1 1 90 90 GLY HA2 H 1 3.672 0.05 . 2 . . . . 90 G HA2 . 6866 1 895 . 1 1 90 90 GLY HA3 H 1 3.871 0.05 . 2 . . . . 90 G HA3 . 6866 1 896 . 1 1 90 90 GLY C C 13 177.033 0.15 . 1 . . . . 90 G C . 6866 1 897 . 1 1 90 90 GLY CA C 13 46.813 0.15 . 1 . . . . 90 G CA . 6866 1 898 . 1 1 90 90 GLY N N 15 107.679 0.15 . 1 . . . . 90 G N . 6866 1 899 . 1 1 91 91 LEU H H 1 8.504 0.05 . 1 . . . . 91 L H . 6866 1 900 . 1 1 91 91 LEU HA H 1 3.784 0.05 . 1 . . . . 91 L HA . 6866 1 901 . 1 1 91 91 LEU HB2 H 1 1.253 0.05 . 2 . . . . 91 L HB2 . 6866 1 902 . 1 1 91 91 LEU HB3 H 1 0.362 0.05 . 2 . . . . 91 L HB3 . 6866 1 903 . 1 1 91 91 LEU HG H 1 1.240 0.05 . 1 . . . . 91 L HG . 6866 1 904 . 1 1 91 91 LEU HD11 H 1 -0.108 0.05 . 2 . . . . 91 L QD1 . 6866 1 905 . 1 1 91 91 LEU HD12 H 1 -0.108 0.05 . 2 . . . . 91 L QD1 . 6866 1 906 . 1 1 91 91 LEU HD13 H 1 -0.108 0.05 . 2 . . . . 91 L QD1 . 6866 1 907 . 1 1 91 91 LEU HD21 H 1 -0.842 0.05 . 2 . . . . 91 L QD2 . 6866 1 908 . 1 1 91 91 LEU HD22 H 1 -0.842 0.05 . 2 . . . . 91 L QD2 . 6866 1 909 . 1 1 91 91 LEU HD23 H 1 -0.842 0.05 . 2 . . . . 91 L QD2 . 6866 1 910 . 1 1 91 91 LEU C C 13 178.003 0.15 . 1 . . . . 91 L C . 6866 1 911 . 1 1 91 91 LEU CA C 13 57.354 0.15 . 1 . . . . 91 L CA . 6866 1 912 . 1 1 91 91 LEU CB C 13 40.359 0.15 . 1 . . . . 91 L CB . 6866 1 913 . 1 1 91 91 LEU CG C 13 25.552 0.15 . 1 . . . . 91 L CG . 6866 1 914 . 1 1 91 91 LEU CD1 C 13 21.441 0.15 . 2 . . . . 91 L CD1 . 6866 1 915 . 1 1 91 91 LEU CD2 C 13 23.734 0.15 . 2 . . . . 91 L CD2 . 6866 1 916 . 1 1 91 91 LEU N N 15 123.959 0.15 . 1 . . . . 91 L N . 6866 1 917 . 1 1 92 92 GLU H H 1 8.324 0.05 . 1 . . . . 92 E H . 6866 1 918 . 1 1 92 92 GLU HA H 1 3.732 0.05 . 1 . . . . 92 E HA . 6866 1 919 . 1 1 92 92 GLU HB2 H 1 2.365 0.05 . 2 . . . . 92 E HB2 . 6866 1 920 . 1 1 92 92 GLU HG2 H 1 2.102 0.05 . 2 . . . . 92 E HG2 . 6866 1 921 . 1 1 92 92 GLU HG3 H 1 2.177 0.05 . 2 . . . . 92 E HG3 . 6866 1 922 . 1 1 92 92 GLU C C 13 177.272 0.15 . 1 . . . . 92 E C . 6866 1 923 . 1 1 92 92 GLU CA C 13 60.651 0.15 . 1 . . . . 92 E CA . 6866 1 924 . 1 1 92 92 GLU CB C 13 30.843 0.15 . 1 . . . . 92 E CB . 6866 1 925 . 1 1 92 92 GLU CG C 13 38.424 0.15 . 1 . . . . 92 E CG . 6866 1 926 . 1 1 92 92 GLU N N 15 121.991 0.15 . 1 . . . . 92 E N . 6866 1 927 . 1 1 93 93 ALA H H 1 8.126 0.05 . 1 . . . . 93 A H . 6866 1 928 . 1 1 93 93 ALA HA H 1 4.160 0.05 . 1 . . . . 93 A HA . 6866 1 929 . 1 1 93 93 ALA HB1 H 1 1.541 0.05 . 1 . . . . 93 A QB . 6866 1 930 . 1 1 93 93 ALA HB2 H 1 1.541 0.05 . 1 . . . . 93 A QB . 6866 1 931 . 1 1 93 93 ALA HB3 H 1 1.541 0.05 . 1 . . . . 93 A QB . 6866 1 932 . 1 1 93 93 ALA C C 13 180.818 0.15 . 1 . . . . 93 A C . 6866 1 933 . 1 1 93 93 ALA CA C 13 54.828 0.15 . 1 . . . . 93 A CA . 6866 1 934 . 1 1 93 93 ALA CB C 13 18.032 0.15 . 1 . . . . 93 A CB . 6866 1 935 . 1 1 93 93 ALA N N 15 120.066 0.15 . 1 . . . . 93 A N . 6866 1 936 . 1 1 94 94 TYR H H 1 7.916 0.05 . 1 . . . . 94 Y H . 6866 1 937 . 1 1 94 94 TYR HA H 1 4.139 0.05 . 1 . . . . 94 Y HA . 6866 1 938 . 1 1 94 94 TYR HB2 H 1 3.002 0.05 . 2 . . . . 94 Y HB2 . 6866 1 939 . 1 1 94 94 TYR HB3 H 1 3.209 0.05 . 2 . . . . 94 Y HB3 . 6866 1 940 . 1 1 94 94 TYR HD1 H 1 6.962 0.05 . 4 . . . . 94 Y QD . 6866 1 941 . 1 1 94 94 TYR HD2 H 1 6.962 0.05 . 4 . . . . 94 Y QD . 6866 1 942 . 1 1 94 94 TYR C C 13 175.895 0.15 . 1 . . . . 94 Y C . 6866 1 943 . 1 1 94 94 TYR CA C 13 61.915 0.15 . 1 . . . . 94 Y CA . 6866 1 944 . 1 1 94 94 TYR CB C 13 38.740 0.15 . 1 . . . . 94 Y CB . 6866 1 945 . 1 1 94 94 TYR N N 15 121.179 0.15 . 1 . . . . 94 Y N . 6866 1 946 . 1 1 95 95 ILE H H 1 7.983 0.05 . 1 . . . . 95 I H . 6866 1 947 . 1 1 95 95 ILE HA H 1 3.614 0.05 . 1 . . . . 95 I HA . 6866 1 948 . 1 1 95 95 ILE HB H 1 2.088 0.05 . 1 . . . . 95 I HB . 6866 1 949 . 1 1 95 95 ILE HG12 H 1 1.682 0.05 . 2 . . . . 95 I HG12 . 6866 1 950 . 1 1 95 95 ILE HG13 H 1 2.038 0.05 . 2 . . . . 95 I HG13 . 6866 1 951 . 1 1 95 95 ILE HG21 H 1 0.997 0.05 . 1 . . . . 95 I QG2 . 6866 1 952 . 1 1 95 95 ILE HG22 H 1 0.997 0.05 . 1 . . . . 95 I QG2 . 6866 1 953 . 1 1 95 95 ILE HG23 H 1 0.997 0.05 . 1 . . . . 95 I QG2 . 6866 1 954 . 1 1 95 95 ILE HD11 H 1 0.887 0.05 . 1 . . . . 95 I QD1 . 6866 1 955 . 1 1 95 95 ILE HD12 H 1 0.887 0.05 . 1 . . . . 95 I QD1 . 6866 1 956 . 1 1 95 95 ILE HD13 H 1 0.887 0.05 . 1 . . . . 95 I QD1 . 6866 1 957 . 1 1 95 95 ILE C C 13 174.678 0.15 . 1 . . . . 95 I C . 6866 1 958 . 1 1 95 95 ILE CA C 13 63.461 0.15 . 1 . . . . 95 I CA . 6866 1 959 . 1 1 95 95 ILE CB C 13 36.625 0.15 . 1 . . . . 95 I CB . 6866 1 960 . 1 1 95 95 ILE CG1 C 13 27.942 0.15 . 1 . . . . 95 I CG1 . 6866 1 961 . 1 1 95 95 ILE CG2 C 13 18.328 0.15 . 1 . . . . 95 I CG2 . 6866 1 962 . 1 1 95 95 ILE CD1 C 13 11.471 0.15 . 1 . . . . 95 I CD1 . 6866 1 963 . 1 1 95 95 ILE N N 15 116.397 0.15 . 1 . . . . 95 I N . 6866 1 964 . 1 1 96 96 GLN H H 1 8.175 0.05 . 1 . . . . 96 Q H . 6866 1 965 . 1 1 96 96 GLN HA H 1 3.763 0.05 . 1 . . . . 96 Q HA . 6866 1 966 . 1 1 96 96 GLN HB2 H 1 1.898 0.05 . 2 . . . . 96 Q HB2 . 6866 1 967 . 1 1 96 96 GLN HG2 H 1 2.563 0.05 . 2 . . . . 96 Q HG2 . 6866 1 968 . 1 1 96 96 GLN HE21 H 1 7.551 0.05 . 2 . . . . 96 Q HE21 . 6866 1 969 . 1 1 96 96 GLN HE22 H 1 6.762 0.05 . 2 . . . . 96 Q HE22 . 6866 1 970 . 1 1 96 96 GLN C C 13 179.042 0.15 . 1 . . . . 96 Q C . 6866 1 971 . 1 1 96 96 GLN CA C 13 59.270 0.15 . 1 . . . . 96 Q CA . 6866 1 972 . 1 1 96 96 GLN CB C 13 27.696 0.15 . 1 . . . . 96 Q CB . 6866 1 973 . 1 1 96 96 GLN CG C 13 33.927 0.15 . 1 . . . . 96 Q CG . 6866 1 974 . 1 1 96 96 GLN N N 15 116.631 0.15 . 1 . . . . 96 Q N . 6866 1 975 . 1 1 96 96 GLN NE2 N 15 109.120 0.15 . 1 . . . . 96 Q NE2 . 6866 1 976 . 1 1 97 97 GLY H H 1 8.222 0.05 . 1 . . . . 97 G H . 6866 1 977 . 1 1 97 97 GLY HA2 H 1 3.661 0.05 . 2 . . . . 97 G HA2 . 6866 1 978 . 1 1 97 97 GLY HA3 H 1 3.806 0.05 . 2 . . . . 97 G HA3 . 6866 1 979 . 1 1 97 97 GLY C C 13 175.449 0.15 . 1 . . . . 97 G C . 6866 1 980 . 1 1 97 97 GLY CA C 13 46.917 0.15 . 1 . . . . 97 G CA . 6866 1 981 . 1 1 97 97 GLY N N 15 107.315 0.15 . 1 . . . . 97 G N . 6866 1 982 . 1 1 98 98 ILE H H 1 7.630 0.05 . 1 . . . . 98 I H . 6866 1 983 . 1 1 98 98 ILE HA H 1 3.399 0.05 . 1 . . . . 98 I HA . 6866 1 984 . 1 1 98 98 ILE HB H 1 1.797 0.05 . 1 . . . . 98 I HB . 6866 1 985 . 1 1 98 98 ILE HG12 H 1 1.615 0.05 . 2 . . . . 98 I HG12 . 6866 1 986 . 1 1 98 98 ILE HG13 H 1 0.596 0.05 . 2 . . . . 98 I HG13 . 6866 1 987 . 1 1 98 98 ILE HG21 H 1 0.654 0.05 . 1 . . . . 98 I QG2 . 6866 1 988 . 1 1 98 98 ILE HG22 H 1 0.654 0.05 . 1 . . . . 98 I QG2 . 6866 1 989 . 1 1 98 98 ILE HG23 H 1 0.654 0.05 . 1 . . . . 98 I QG2 . 6866 1 990 . 1 1 98 98 ILE HD11 H 1 0.608 0.05 . 1 . . . . 98 I QD1 . 6866 1 991 . 1 1 98 98 ILE HD12 H 1 0.608 0.05 . 1 . . . . 98 I QD1 . 6866 1 992 . 1 1 98 98 ILE HD13 H 1 0.608 0.05 . 1 . . . . 98 I QD1 . 6866 1 993 . 1 1 98 98 ILE C C 13 178.683 0.15 . 1 . . . . 98 I C . 6866 1 994 . 1 1 98 98 ILE CA C 13 66.402 0.15 . 1 . . . . 98 I CA . 6866 1 995 . 1 1 98 98 ILE CB C 13 38.037 0.15 . 1 . . . . 98 I CB . 6866 1 996 . 1 1 98 98 ILE CG1 C 13 28.202 0.15 . 1 . . . . 98 I CG1 . 6866 1 997 . 1 1 98 98 ILE CG2 C 13 18.153 0.15 . 1 . . . . 98 I CG2 . 6866 1 998 . 1 1 98 98 ILE CD1 C 13 14.828 0.15 . 1 . . . . 98 I CD1 . 6866 1 999 . 1 1 98 98 ILE N N 15 120.644 0.15 . 1 . . . . 98 I N . 6866 1 1000 . 1 1 99 99 LEU H H 1 7.076 0.05 . 1 . . . . 99 L H . 6866 1 1001 . 1 1 99 99 LEU HA H 1 4.133 0.05 . 1 . . . . 99 L HA . 6866 1 1002 . 1 1 99 99 LEU HB2 H 1 1.994 0.05 . 2 . . . . 99 L HB2 . 6866 1 1003 . 1 1 99 99 LEU HB3 H 1 1.444 0.05 . 2 . . . . 99 L HB3 . 6866 1 1004 . 1 1 99 99 LEU HD11 H 1 0.774 0.05 . 2 . . . . 99 L QD1 . 6866 1 1005 . 1 1 99 99 LEU HD12 H 1 0.774 0.05 . 2 . . . . 99 L QD1 . 6866 1 1006 . 1 1 99 99 LEU HD13 H 1 0.774 0.05 . 2 . . . . 99 L QD1 . 6866 1 1007 . 1 1 99 99 LEU HD21 H 1 0.669 0.05 . 2 . . . . 99 L QD2 . 6866 1 1008 . 1 1 99 99 LEU HD22 H 1 0.669 0.05 . 2 . . . . 99 L QD2 . 6866 1 1009 . 1 1 99 99 LEU HD23 H 1 0.669 0.05 . 2 . . . . 99 L QD2 . 6866 1 1010 . 1 1 99 99 LEU C C 13 178.128 0.15 . 1 . . . . 99 L C . 6866 1 1011 . 1 1 99 99 LEU CA C 13 57.129 0.15 . 1 . . . . 99 L CA . 6866 1 1012 . 1 1 99 99 LEU CB C 13 41.108 0.15 . 1 . . . . 99 L CB . 6866 1 1013 . 1 1 99 99 LEU CD2 C 13 24.533 0.15 . 2 . . . . 99 L CD2 . 6866 1 1014 . 1 1 99 99 LEU N N 15 116.844 0.15 . 1 . . . . 99 L N . 6866 1 1015 . 1 1 100 100 TYR H H 1 7.890 0.05 . 1 . . . . 100 Y H . 6866 1 1016 . 1 1 100 100 TYR HA H 1 4.550 0.05 . 1 . . . . 100 Y HA . 6866 1 1017 . 1 1 100 100 TYR HB2 H 1 3.169 0.05 . 2 . . . . 100 Y HB2 . 6866 1 1018 . 1 1 100 100 TYR HB3 H 1 3.029 0.05 . 2 . . . . 100 Y HB3 . 6866 1 1019 . 1 1 100 100 TYR HD1 H 1 7.017 0.05 . 4 . . . . 100 Y QD . 6866 1 1020 . 1 1 100 100 TYR HD2 H 1 7.017 0.05 . 4 . . . . 100 Y QD . 6866 1 1021 . 1 1 100 100 TYR C C 13 178.210 0.15 . 1 . . . . 100 Y C . 6866 1 1022 . 1 1 100 100 TYR CA C 13 59.452 0.15 . 1 . . . . 100 Y CA . 6866 1 1023 . 1 1 100 100 TYR CB C 13 38.786 0.15 . 1 . . . . 100 Y CB . 6866 1 1024 . 1 1 100 100 TYR N N 15 116.427 0.15 . 1 . . . . 100 Y N . 6866 1 1025 . 1 1 101 101 LEU H H 1 8.041 0.05 . 1 . . . . 101 L H . 6866 1 1026 . 1 1 101 101 LEU HA H 1 4.158 0.05 . 1 . . . . 101 L HA . 6866 1 1027 . 1 1 101 101 LEU HB2 H 1 1.412 0.05 . 2 . . . . 101 L HB2 . 6866 1 1028 . 1 1 101 101 LEU HB3 H 1 1.732 0.05 . 2 . . . . 101 L HB3 . 6866 1 1029 . 1 1 101 101 LEU HG H 1 2.130 0.05 . 1 . . . . 101 L HG . 6866 1 1030 . 1 1 101 101 LEU HD11 H 1 0.552 0.05 . 2 . . . . 101 L QD1 . 6866 1 1031 . 1 1 101 101 LEU HD12 H 1 0.552 0.05 . 2 . . . . 101 L QD1 . 6866 1 1032 . 1 1 101 101 LEU HD13 H 1 0.552 0.05 . 2 . . . . 101 L QD1 . 6866 1 1033 . 1 1 101 101 LEU HD21 H 1 0.872 0.05 . 2 . . . . 101 L QD2 . 6866 1 1034 . 1 1 101 101 LEU HD22 H 1 0.872 0.05 . 2 . . . . 101 L QD2 . 6866 1 1035 . 1 1 101 101 LEU HD23 H 1 0.872 0.05 . 2 . . . . 101 L QD2 . 6866 1 1036 . 1 1 101 101 LEU C C 13 176.808 0.15 . 1 . . . . 101 L C . 6866 1 1037 . 1 1 101 101 LEU CA C 13 56.156 0.15 . 1 . . . . 101 L CA . 6866 1 1038 . 1 1 101 101 LEU CB C 13 44.307 0.15 . 1 . . . . 101 L CB . 6866 1 1039 . 1 1 101 101 LEU CD1 C 13 24.917 0.15 . 2 . . . . 101 L CD1 . 6866 1 1040 . 1 1 101 101 LEU CD2 C 13 22.259 0.15 . 2 . . . . 101 L CD2 . 6866 1 1041 . 1 1 101 101 LEU N N 15 116.493 0.15 . 1 . . . . 101 L N . 6866 1 1042 . 1 1 102 102 ASN H H 1 7.146 0.05 . 1 . . . . 102 N H . 6866 1 1043 . 1 1 102 102 ASN HA H 1 5.056 0.05 . 1 . . . . 102 N HA . 6866 1 1044 . 1 1 102 102 ASN HB2 H 1 2.654 0.05 . 2 . . . . 102 N HB2 . 6866 1 1045 . 1 1 102 102 ASN HB3 H 1 2.789 0.05 . 2 . . . . 102 N HB3 . 6866 1 1046 . 1 1 102 102 ASN CA C 13 52.704 0.15 . 1 . . . . 102 N CA . 6866 1 1047 . 1 1 102 102 ASN CB C 13 42.424 0.15 . 1 . . . . 102 N CB . 6866 1 1048 . 1 1 102 102 ASN N N 15 114.922 0.15 . 1 . . . . 102 N N . 6866 1 1049 . 1 1 103 103 GLN H H 1 8.477 0.05 . 1 . . . . 103 Q H . 6866 1 1050 . 1 1 103 103 GLN HA H 1 3.866 0.05 . 1 . . . . 103 Q HA . 6866 1 1051 . 1 1 103 103 GLN HB2 H 1 1.989 0.05 . 2 . . . . 103 Q HB2 . 6866 1 1052 . 1 1 103 103 GLN HB3 H 1 2.039 0.05 . 2 . . . . 103 Q HB3 . 6866 1 1053 . 1 1 103 103 GLN HG2 H 1 2.342 0.05 . 2 . . . . 103 Q HG2 . 6866 1 1054 . 1 1 103 103 GLN C C 13 176.110 0.15 . 1 . . . . 103 Q C . 6866 1 1055 . 1 1 103 103 GLN CA C 13 58.451 0.15 . 1 . . . . 103 Q CA . 6866 1 1056 . 1 1 103 103 GLN CB C 13 28.896 0.15 . 1 . . . . 103 Q CB . 6866 1 1057 . 1 1 103 103 GLN CG C 13 34.056 0.15 . 1 . . . . 103 Q CG . 6866 1 1058 . 1 1 103 103 GLN N N 15 120.252 0.15 . 1 . . . . 103 Q N . 6866 1 1059 . 1 1 104 104 GLU H H 1 7.930 0.05 . 1 . . . . 104 E H . 6866 1 1060 . 1 1 104 104 GLU HA H 1 4.591 0.05 . 1 . . . . 104 E HA . 6866 1 1061 . 1 1 104 104 GLU HB2 H 1 1.888 0.05 . 2 . . . . 104 E HB2 . 6866 1 1062 . 1 1 104 104 GLU HB3 H 1 1.984 0.05 . 2 . . . . 104 E HB3 . 6866 1 1063 . 1 1 104 104 GLU HG2 H 1 2.198 0.05 . 2 . . . . 104 E HG2 . 6866 1 1064 . 1 1 104 104 GLU C C 13 175.397 0.15 . 1 . . . . 104 E C . 6866 1 1065 . 1 1 104 104 GLU CA C 13 54.058 0.15 . 1 . . . . 104 E CA . 6866 1 1066 . 1 1 104 104 GLU CB C 13 31.272 0.15 . 1 . . . . 104 E CB . 6866 1 1067 . 1 1 104 104 GLU CG C 13 36.175 0.15 . 1 . . . . 104 E CG . 6866 1 1068 . 1 1 104 104 GLU N N 15 117.295 0.15 . 1 . . . . 104 E N . 6866 1 1069 . 1 1 105 105 VAL H H 1 8.546 0.05 . 1 . . . . 105 V H . 6866 1 1070 . 1 1 105 105 VAL HA H 1 3.823 0.05 . 1 . . . . 105 V HA . 6866 1 1071 . 1 1 105 105 VAL HB H 1 1.791 0.05 . 1 . . . . 105 V HB . 6866 1 1072 . 1 1 105 105 VAL HG11 H 1 0.730 0.05 . 2 . . . . 105 V QG1 . 6866 1 1073 . 1 1 105 105 VAL HG12 H 1 0.730 0.05 . 2 . . . . 105 V QG1 . 6866 1 1074 . 1 1 105 105 VAL HG13 H 1 0.730 0.05 . 2 . . . . 105 V QG1 . 6866 1 1075 . 1 1 105 105 VAL HG21 H 1 0.679 0.05 . 2 . . . . 105 V QG2 . 6866 1 1076 . 1 1 105 105 VAL HG22 H 1 0.679 0.05 . 2 . . . . 105 V QG2 . 6866 1 1077 . 1 1 105 105 VAL HG23 H 1 0.679 0.05 . 2 . . . . 105 V QG2 . 6866 1 1078 . 1 1 105 105 VAL CA C 13 60.706 0.15 . 1 . . . . 105 V CA . 6866 1 1079 . 1 1 105 105 VAL CB C 13 32.126 0.15 . 1 . . . . 105 V CB . 6866 1 1080 . 1 1 105 105 VAL CG1 C 13 21.576 0.15 . 2 . . . . 105 V CG1 . 6866 1 1081 . 1 1 105 105 VAL CG2 C 13 21.284 0.15 . 2 . . . . 105 V CG2 . 6866 1 1082 . 1 1 105 105 VAL N N 15 124.511 0.15 . 1 . . . . 105 V N . 6866 1 1083 . 1 1 106 106 PRO HA H 1 3.997 0.05 . 1 . . . . 106 P HA . 6866 1 1084 . 1 1 106 106 PRO HB2 H 1 1.278 0.05 . 2 . . . . 106 P HB2 . 6866 1 1085 . 1 1 106 106 PRO HB3 H 1 1.574 0.05 . 2 . . . . 106 P HB3 . 6866 1 1086 . 1 1 106 106 PRO HG2 H 1 1.132 0.05 . 2 . . . . 106 P HG2 . 6866 1 1087 . 1 1 106 106 PRO HD2 H 1 3.000 0.05 . 2 . . . . 106 P HD2 . 6866 1 1088 . 1 1 106 106 PRO HD3 H 1 3.890 0.05 . 2 . . . . 106 P HD3 . 6866 1 1089 . 1 1 106 106 PRO C C 13 178.240 0.15 . 1 . . . . 106 P C . 6866 1 1090 . 1 1 106 106 PRO CA C 13 62.961 0.15 . 1 . . . . 106 P CA . 6866 1 1091 . 1 1 106 106 PRO CB C 13 32.321 0.15 . 1 . . . . 106 P CB . 6866 1 1092 . 1 1 106 106 PRO CG C 13 26.855 0.15 . 1 . . . . 106 P CG . 6866 1 1093 . 1 1 106 106 PRO CD C 13 50.491 0.15 . 1 . . . . 106 P CD . 6866 1 1094 . 1 1 107 107 LYS H H 1 9.122 0.05 . 1 . . . . 107 K H . 6866 1 1095 . 1 1 107 107 LYS HA H 1 3.813 0.05 . 1 . . . . 107 K HA . 6866 1 1096 . 1 1 107 107 LYS HB2 H 1 1.757 0.05 . 2 . . . . 107 K HB2 . 6866 1 1097 . 1 1 107 107 LYS HB3 H 1 1.854 0.05 . 2 . . . . 107 K HB3 . 6866 1 1098 . 1 1 107 107 LYS HG2 H 1 1.426 0.05 . 2 . . . . 107 K HG2 . 6866 1 1099 . 1 1 107 107 LYS HD2 H 1 1.617 0.05 . 2 . . . . 107 K HD2 . 6866 1 1100 . 1 1 107 107 LYS HE2 H 1 2.965 0.05 . 2 . . . . 107 K HE2 . 6866 1 1101 . 1 1 107 107 LYS C C 13 178.563 0.15 . 1 . . . . 107 K C . 6866 1 1102 . 1 1 107 107 LYS CA C 13 60.085 0.15 . 1 . . . . 107 K CA . 6866 1 1103 . 1 1 107 107 LYS CB C 13 31.632 0.15 . 1 . . . . 107 K CB . 6866 1 1104 . 1 1 107 107 LYS CG C 13 24.692 0.15 . 1 . . . . 107 K CG . 6866 1 1105 . 1 1 107 107 LYS CD C 13 29.135 0.15 . 1 . . . . 107 K CD . 6866 1 1106 . 1 1 107 107 LYS N N 15 129.017 0.15 . 1 . . . . 107 K N . 6866 1 1107 . 1 1 108 108 GLU H H 1 10.370 0.05 . 1 . . . . 108 E H . 6866 1 1108 . 1 1 108 108 GLU HA H 1 3.991 0.05 . 1 . . . . 108 E HA . 6866 1 1109 . 1 1 108 108 GLU HB2 H 1 1.705 0.05 . 2 . . . . 108 E HB2 . 6866 1 1110 . 1 1 108 108 GLU HG2 H 1 2.347 0.05 . 2 . . . . 108 E HG2 . 6866 1 1111 . 1 1 108 108 GLU C C 13 180.366 0.15 . 1 . . . . 108 E C . 6866 1 1112 . 1 1 108 108 GLU CA C 13 60.337 0.15 . 1 . . . . 108 E CA . 6866 1 1113 . 1 1 108 108 GLU CB C 13 29.178 0.15 . 1 . . . . 108 E CB . 6866 1 1114 . 1 1 108 108 GLU CG C 13 37.296 0.15 . 1 . . . . 108 E CG . 6866 1 1115 . 1 1 108 108 GLU N N 15 118.335 0.15 . 1 . . . . 108 E N . 6866 1 1116 . 1 1 109 109 LEU H H 1 7.393 0.05 . 1 . . . . 109 L H . 6866 1 1117 . 1 1 109 109 LEU HA H 1 4.220 0.05 . 1 . . . . 109 L HA . 6866 1 1118 . 1 1 109 109 LEU HB2 H 1 0.983 0.05 . 2 . . . . 109 L HB2 . 6866 1 1119 . 1 1 109 109 LEU HB3 H 1 1.957 0.05 . 2 . . . . 109 L HB3 . 6866 1 1120 . 1 1 109 109 LEU HD11 H 1 0.870 0.05 . 2 . . . . 109 L QD1 . 6866 1 1121 . 1 1 109 109 LEU HD12 H 1 0.870 0.05 . 2 . . . . 109 L QD1 . 6866 1 1122 . 1 1 109 109 LEU HD13 H 1 0.870 0.05 . 2 . . . . 109 L QD1 . 6866 1 1123 . 1 1 109 109 LEU HD21 H 1 0.727 0.05 . 2 . . . . 109 L QD2 . 6866 1 1124 . 1 1 109 109 LEU HD22 H 1 0.727 0.05 . 2 . . . . 109 L QD2 . 6866 1 1125 . 1 1 109 109 LEU HD23 H 1 0.727 0.05 . 2 . . . . 109 L QD2 . 6866 1 1126 . 1 1 109 109 LEU C C 13 177.378 0.15 . 1 . . . . 109 L C . 6866 1 1127 . 1 1 109 109 LEU CA C 13 56.618 0.15 . 1 . . . . 109 L CA . 6866 1 1128 . 1 1 109 109 LEU CB C 13 41.898 0.15 . 1 . . . . 109 L CB . 6866 1 1129 . 1 1 109 109 LEU CD1 C 13 23.914 0.15 . 2 . . . . 109 L CD1 . 6866 1 1130 . 1 1 109 109 LEU CD2 C 13 26.205 0.15 . 2 . . . . 109 L CD2 . 6866 1 1131 . 1 1 109 109 LEU N N 15 118.285 0.15 . 1 . . . . 109 L N . 6866 1 1132 . 1 1 110 110 LEU H H 1 7.641 0.05 . 1 . . . . 110 L H . 6866 1 1133 . 1 1 110 110 LEU HA H 1 3.796 0.05 . 1 . . . . 110 L HA . 6866 1 1134 . 1 1 110 110 LEU HB2 H 1 1.410 0.05 . 2 . . . . 110 L HB2 . 6866 1 1135 . 1 1 110 110 LEU HB3 H 1 2.026 0.05 . 2 . . . . 110 L HB3 . 6866 1 1136 . 1 1 110 110 LEU HD11 H 1 0.564 0.05 . 2 . . . . 110 L QD1 . 6866 1 1137 . 1 1 110 110 LEU HD12 H 1 0.564 0.05 . 2 . . . . 110 L QD1 . 6866 1 1138 . 1 1 110 110 LEU HD13 H 1 0.564 0.05 . 2 . . . . 110 L QD1 . 6866 1 1139 . 1 1 110 110 LEU HD21 H 1 0.793 0.05 . 2 . . . . 110 L QD2 . 6866 1 1140 . 1 1 110 110 LEU HD22 H 1 0.793 0.05 . 2 . . . . 110 L QD2 . 6866 1 1141 . 1 1 110 110 LEU HD23 H 1 0.793 0.05 . 2 . . . . 110 L QD2 . 6866 1 1142 . 1 1 110 110 LEU C C 13 179.103 0.15 . 1 . . . . 110 L C . 6866 1 1143 . 1 1 110 110 LEU CA C 13 59.046 0.15 . 1 . . . . 110 L CA . 6866 1 1144 . 1 1 110 110 LEU CB C 13 40.228 0.15 . 1 . . . . 110 L CB . 6866 1 1145 . 1 1 110 110 LEU CD1 C 13 23.240 0.15 . 2 . . . . 110 L CD1 . 6866 1 1146 . 1 1 110 110 LEU CD2 C 13 25.776 0.15 . 2 . . . . 110 L CD2 . 6866 1 1147 . 1 1 110 110 LEU N N 15 120.162 0.15 . 1 . . . . 110 L N . 6866 1 1148 . 1 1 111 111 GLU H H 1 7.916 0.05 . 1 . . . . 111 E H . 6866 1 1149 . 1 1 111 111 GLU HA H 1 4.080 0.05 . 1 . . . . 111 E HA . 6866 1 1150 . 1 1 111 111 GLU HB2 H 1 2.035 0.05 . 1 . . . . 111 E QB . 6866 1 1151 . 1 1 111 111 GLU HB3 H 1 2.035 0.05 . 1 . . . . 111 E QB . 6866 1 1152 . 1 1 111 111 GLU HG2 H 1 2.261 0.05 . 2 . . . . 111 E HG2 . 6866 1 1153 . 1 1 111 111 GLU C C 13 179.967 0.15 . 1 . . . . 111 E C . 6866 1 1154 . 1 1 111 111 GLU CA C 13 59.243 0.15 . 1 . . . . 111 E CA . 6866 1 1155 . 1 1 111 111 GLU CB C 13 29.576 0.15 . 1 . . . . 111 E CB . 6866 1 1156 . 1 1 111 111 GLU CG C 13 36.305 0.15 . 1 . . . . 111 E CG . 6866 1 1157 . 1 1 111 111 GLU N N 15 117.360 0.15 . 1 . . . . 111 E N . 6866 1 1158 . 1 1 112 112 PHE H H 1 7.712 0.05 . 1 . . . . 112 F H . 6866 1 1159 . 1 1 112 112 PHE HA H 1 4.224 0.05 . 1 . . . . 112 F HA . 6866 1 1160 . 1 1 112 112 PHE HB2 H 1 3.279 0.05 . 1 . . . . 112 F QB . 6866 1 1161 . 1 1 112 112 PHE HB3 H 1 3.279 0.05 . 1 . . . . 112 F QB . 6866 1 1162 . 1 1 112 112 PHE HD1 H 1 6.997 0.05 . 4 . . . . 112 F QD . 6866 1 1163 . 1 1 112 112 PHE HD2 H 1 6.997 0.05 . 4 . . . . 112 F QD . 6866 1 1164 . 1 1 112 112 PHE C C 13 177.180 0.15 . 1 . . . . 112 F C . 6866 1 1165 . 1 1 112 112 PHE CA C 13 61.407 0.15 . 1 . . . . 112 F CA . 6866 1 1166 . 1 1 112 112 PHE CB C 13 40.172 0.15 . 1 . . . . 112 F CB . 6866 1 1167 . 1 1 112 112 PHE N N 15 123.042 0.15 . 1 . . . . 112 F N . 6866 1 1168 . 1 1 113 113 LEU H H 1 8.056 0.05 . 1 . . . . 113 L H . 6866 1 1169 . 1 1 113 113 LEU HA H 1 4.147 0.05 . 1 . . . . 113 L HA . 6866 1 1170 . 1 1 113 113 LEU HB2 H 1 1.774 0.05 . 1 . . . . 113 L QB . 6866 1 1171 . 1 1 113 113 LEU HB3 H 1 1.774 0.05 . 1 . . . . 113 L QB . 6866 1 1172 . 1 1 113 113 LEU HD11 H 1 0.741 0.05 . 2 . . . . 113 L QD1 . 6866 1 1173 . 1 1 113 113 LEU HD12 H 1 0.741 0.05 . 2 . . . . 113 L QD1 . 6866 1 1174 . 1 1 113 113 LEU HD13 H 1 0.741 0.05 . 2 . . . . 113 L QD1 . 6866 1 1175 . 1 1 113 113 LEU C C 13 173.717 0.15 . 1 . . . . 113 L C . 6866 1 1176 . 1 1 113 113 LEU CA C 13 54.093 0.15 . 1 . . . . 113 L CA . 6866 1 1177 . 1 1 113 113 LEU CB C 13 41.517 0.15 . 1 . . . . 113 L CB . 6866 1 1178 . 1 1 113 113 LEU CD1 C 13 26.036 0.15 . 2 . . . . 113 L CD1 . 6866 1 1179 . 1 1 113 113 LEU N N 15 115.595 0.15 . 1 . . . . 113 L N . 6866 1 1180 . 1 1 114 114 ARG H H 1 7.902 0.05 . 1 . . . . 114 R H . 6866 1 1181 . 1 1 114 114 ARG HA H 1 3.817 0.05 . 1 . . . . 114 R HA . 6866 1 1182 . 1 1 114 114 ARG C C 13 174.566 0.15 . 1 . . . . 114 R C . 6866 1 1183 . 1 1 114 114 ARG CA C 13 57.233 0.15 . 1 . . . . 114 R CA . 6866 1 1184 . 1 1 114 114 ARG CB C 13 27.788 0.15 . 1 . . . . 114 R CB . 6866 1 1185 . 1 1 114 114 ARG N N 15 116.021 0.15 . 1 . . . . 114 R N . 6866 1 1186 . 1 1 115 115 LEU H H 1 8.160 0.05 . 1 . . . . 115 L H . 6866 1 1187 . 1 1 115 115 LEU HA H 1 4.462 0.05 . 1 . . . . 115 L HA . 6866 1 1188 . 1 1 115 115 LEU HB2 H 1 1.501 0.05 . 2 . . . . 115 L HB2 . 6866 1 1189 . 1 1 115 115 LEU HD11 H 1 0.894 0.05 . 2 . . . . 115 L QD1 . 6866 1 1190 . 1 1 115 115 LEU HD12 H 1 0.894 0.05 . 2 . . . . 115 L QD1 . 6866 1 1191 . 1 1 115 115 LEU HD13 H 1 0.894 0.05 . 2 . . . . 115 L QD1 . 6866 1 1192 . 1 1 115 115 LEU HD21 H 1 0.848 0.05 . 2 . . . . 115 L QD2 . 6866 1 1193 . 1 1 115 115 LEU HD22 H 1 0.848 0.05 . 2 . . . . 115 L QD2 . 6866 1 1194 . 1 1 115 115 LEU HD23 H 1 0.848 0.05 . 2 . . . . 115 L QD2 . 6866 1 1195 . 1 1 115 115 LEU C C 13 176.374 0.15 . 1 . . . . 115 L C . 6866 1 1196 . 1 1 115 115 LEU CA C 13 53.965 0.15 . 1 . . . . 115 L CA . 6866 1 1197 . 1 1 115 115 LEU CB C 13 44.077 0.15 . 1 . . . . 115 L CB . 6866 1 1198 . 1 1 115 115 LEU CD1 C 13 24.178 0.15 . 1 . . . . 115 L CD1 . 6866 1 1199 . 1 1 115 115 LEU N N 15 118.089 0.15 . 1 . . . . 115 L N . 6866 1 1200 . 1 1 116 116 ARG H H 1 8.066 0.05 . 1 . . . . 116 R H . 6866 1 1201 . 1 1 116 116 ARG HA H 1 4.172 0.05 . 1 . . . . 116 R HA . 6866 1 1202 . 1 1 116 116 ARG HB2 H 1 1.592 0.05 . 2 . . . . 116 R HB2 . 6866 1 1203 . 1 1 116 116 ARG CA C 13 55.961 0.15 . 1 . . . . 116 R CA . 6866 1 1204 . 1 1 116 116 ARG CB C 13 31.379 0.15 . 1 . . . . 116 R CB . 6866 1 1205 . 1 1 116 116 ARG N N 15 120.852 0.15 . 1 . . . . 116 R N . 6866 1 1206 . 1 1 117 117 HIS H H 1 7.928 0.05 . 1 . . . . 117 H H . 6866 1 1207 . 1 1 117 117 HIS HA H 1 4.557 0.05 . 1 . . . . 117 H HA . 6866 1 1208 . 1 1 117 117 HIS HB2 H 1 2.968 0.05 . 1 . . . . 117 H QB . 6866 1 1209 . 1 1 117 117 HIS HB3 H 1 2.968 0.05 . 1 . . . . 117 H QB . 6866 1 1210 . 1 1 117 117 HIS HD2 H 1 6.883 0.05 . 4 . . . . 117 H HD2 . 6866 1 1211 . 1 1 117 117 HIS CA C 13 55.937 0.15 . 1 . . . . 117 H CA . 6866 1 1212 . 1 1 117 117 HIS CB C 13 30.875 0.15 . 1 . . . . 117 H CB . 6866 1 1213 . 1 1 118 118 PHE H H 1 8.183 0.05 . 1 . . . . 118 F H . 6866 1 1214 . 1 1 118 118 PHE HA H 1 4.730 0.05 . 1 . . . . 118 F HA . 6866 1 1215 . 1 1 118 118 PHE HB2 H 1 3.028 0.05 . 2 . . . . 118 F HB2 . 6866 1 1216 . 1 1 118 118 PHE HB3 H 1 2.827 0.05 . 2 . . . . 118 F HB3 . 6866 1 1217 . 1 1 118 118 PHE HD1 H 1 7.187 0.05 . 4 . . . . 118 F QD . 6866 1 1218 . 1 1 118 118 PHE HD2 H 1 7.187 0.05 . 4 . . . . 118 F QD . 6866 1 1219 . 1 1 118 118 PHE CA C 13 55.716 0.15 . 1 . . . . 118 F CA . 6866 1 1220 . 1 1 118 118 PHE CB C 13 39.263 0.15 . 1 . . . . 118 F CB . 6866 1 1221 . 1 1 118 118 PHE N N 15 123.480 0.15 . 1 . . . . 118 F N . 6866 1 1222 . 1 1 119 119 PRO HA H 1 4.398 0.05 . 1 . . . . 119 P HA . 6866 1 1223 . 1 1 119 119 PRO HB2 H 1 1.894 0.05 . 2 . . . . 119 P HB2 . 6866 1 1224 . 1 1 119 119 PRO HB3 H 1 2.210 0.05 . 2 . . . . 119 P HB3 . 6866 1 1225 . 1 1 119 119 PRO HD2 H 1 3.318 0.05 . 2 . . . . 119 P HD2 . 6866 1 1226 . 1 1 119 119 PRO HD3 H 1 3.533 0.05 . 2 . . . . 119 P HD3 . 6866 1 1227 . 1 1 119 119 PRO C C 13 176.666 0.15 . 1 . . . . 119 P C . 6866 1 1228 . 1 1 119 119 PRO CA C 13 63.377 0.15 . 1 . . . . 119 P CA . 6866 1 1229 . 1 1 119 119 PRO CB C 13 32.059 0.15 . 1 . . . . 119 P CB . 6866 1 1230 . 1 1 119 119 PRO CG C 13 27.316 0.15 . 1 . . . . 119 P CG . 6866 1 1231 . 1 1 119 119 PRO CD C 13 50.521 0.15 . 1 . . . . 119 P CD . 6866 1 1232 . 1 1 120 120 THR H H 1 8.054 0.05 . 1 . . . . 120 T H . 6866 1 1233 . 1 1 120 120 THR HA H 1 4.273 0.05 . 1 . . . . 120 T HA . 6866 1 1234 . 1 1 120 120 THR HB H 1 4.277 0.05 . 1 . . . . 120 T HB . 6866 1 1235 . 1 1 120 120 THR HG21 H 1 1.180 0.05 . 1 . . . . 120 T QG2 . 6866 1 1236 . 1 1 120 120 THR HG22 H 1 1.180 0.05 . 1 . . . . 120 T QG2 . 6866 1 1237 . 1 1 120 120 THR HG23 H 1 1.180 0.05 . 1 . . . . 120 T QG2 . 6866 1 1238 . 1 1 120 120 THR C C 13 174.154 0.15 . 1 . . . . 120 T C . 6866 1 1239 . 1 1 120 120 THR CA C 13 61.893 0.15 . 1 . . . . 120 T CA . 6866 1 1240 . 1 1 120 120 THR CB C 13 69.736 0.15 . 1 . . . . 120 T CB . 6866 1 1241 . 1 1 120 120 THR CG2 C 13 21.774 0.15 . 1 . . . . 120 T CG2 . 6866 1 1242 . 1 1 120 120 THR N N 15 113.088 0.15 . 1 . . . . 120 T N . 6866 1 1243 . 1 1 121 121 ASP H H 1 8.209 0.05 . 1 . . . . 121 D H . 6866 1 1244 . 1 1 121 121 ASP HA H 1 4.876 0.05 . 1 . . . . 121 D HA . 6866 1 1245 . 1 1 121 121 ASP HB2 H 1 2.780 0.05 . 2 . . . . 121 D HB2 . 6866 1 1246 . 1 1 121 121 ASP HB3 H 1 2.575 0.05 . 2 . . . . 121 D HB3 . 6866 1 1247 . 1 1 121 121 ASP CA C 13 52.126 0.15 . 1 . . . . 121 D CA . 6866 1 1248 . 1 1 121 121 ASP CB C 13 41.553 0.15 . 1 . . . . 121 D CB . 6866 1 1249 . 1 1 121 121 ASP N N 15 123.630 0.15 . 1 . . . . 121 D N . 6866 1 1250 . 1 1 122 122 PRO HA H 1 4.363 0.05 . 1 . . . . 122 P HA . 6866 1 1251 . 1 1 122 122 PRO HB2 H 1 1.950 0.05 . 2 . . . . 122 P HB2 . 6866 1 1252 . 1 1 122 122 PRO HB3 H 1 2.213 0.05 . 2 . . . . 122 P HB3 . 6866 1 1253 . 1 1 122 122 PRO HG2 H 1 1.997 0.05 . 2 . . . . 122 P HG2 . 6866 1 1254 . 1 1 122 122 PRO HD2 H 1 3.829 0.05 . 2 . . . . 122 P HD2 . 6866 1 1255 . 1 1 122 122 PRO C C 13 177.344 0.15 . 1 . . . . 122 P C . 6866 1 1256 . 1 1 122 122 PRO CA C 13 63.913 0.15 . 1 . . . . 122 P CA . 6866 1 1257 . 1 1 122 122 PRO CB C 13 32.116 0.15 . 1 . . . . 122 P CB . 6866 1 1258 . 1 1 122 122 PRO CG C 13 27.303 0.15 . 1 . . . . 122 P CG . 6866 1 1259 . 1 1 122 122 PRO CD C 13 50.908 0.15 . 1 . . . . 122 P CD . 6866 1 1260 . 1 1 123 123 LYS H H 1 8.344 0.05 . 1 . . . . 123 K H . 6866 1 1261 . 1 1 123 123 LYS HA H 1 4.244 0.05 . 1 . . . . 123 K HA . 6866 1 1262 . 1 1 123 123 LYS HB2 H 1 1.812 0.05 . 2 . . . . 123 K HB2 . 6866 1 1263 . 1 1 123 123 LYS HG2 H 1 1.391 0.05 . 2 . . . . 123 K HG2 . 6866 1 1264 . 1 1 123 123 LYS HD2 H 1 1.668 0.05 . 2 . . . . 123 K HD2 . 6866 1 1265 . 1 1 123 123 LYS HE2 H 1 2.973 0.05 . 2 . . . . 123 K HE2 . 6866 1 1266 . 1 1 123 123 LYS C C 13 176.637 0.15 . 1 . . . . 123 K C . 6866 1 1267 . 1 1 123 123 LYS CA C 13 56.359 0.15 . 1 . . . . 123 K CA . 6866 1 1268 . 1 1 123 123 LYS CB C 13 32.367 0.15 . 1 . . . . 123 K CB . 6866 1 1269 . 1 1 123 123 LYS CG C 13 24.950 0.15 . 1 . . . . 123 K CG . 6866 1 1270 . 1 1 123 123 LYS CD C 13 29.066 0.15 . 1 . . . . 123 K CD . 6866 1 1271 . 1 1 123 123 LYS CE C 13 42.222 0.15 . 1 . . . . 123 K CE . 6866 1 1272 . 1 1 123 123 LYS N N 15 119.110 0.15 . 1 . . . . 123 K N . 6866 1 1273 . 1 1 124 124 ALA H H 1 7.929 0.05 . 1 . . . . 124 A H . 6866 1 1274 . 1 1 124 124 ALA HA H 1 4.248 0.05 . 1 . . . . 124 A HA . 6866 1 1275 . 1 1 124 124 ALA HB1 H 1 1.378 0.05 . 1 . . . . 124 A QB . 6866 1 1276 . 1 1 124 124 ALA HB2 H 1 1.378 0.05 . 1 . . . . 124 A QB . 6866 1 1277 . 1 1 124 124 ALA HB3 H 1 1.378 0.05 . 1 . . . . 124 A QB . 6866 1 1278 . 1 1 124 124 ALA C C 13 177.648 0.15 . 1 . . . . 124 A C . 6866 1 1279 . 1 1 124 124 ALA CA C 13 52.618 0.15 . 1 . . . . 124 A CA . 6866 1 1280 . 1 1 124 124 ALA CB C 13 19.379 0.15 . 1 . . . . 124 A CB . 6866 1 1281 . 1 1 124 124 ALA N N 15 123.825 0.15 . 1 . . . . 124 A N . 6866 1 1282 . 1 1 125 125 SER H H 1 8.134 0.05 . 1 . . . . 125 S H . 6866 1 1283 . 1 1 125 125 SER HA H 1 4.341 0.05 . 1 . . . . 125 S HA . 6866 1 1284 . 1 1 125 125 SER HB2 H 1 3.741 0.05 . 2 . . . . 125 S HB2 . 6866 1 1285 . 1 1 125 125 SER HB3 H 1 3.724 0.05 . 2 . . . . 125 S HB3 . 6866 1 1286 . 1 1 125 125 SER C C 13 174.172 0.15 . 1 . . . . 125 S C . 6866 1 1287 . 1 1 125 125 SER CA C 13 58.391 0.15 . 1 . . . . 125 S CA . 6866 1 1288 . 1 1 125 125 SER CB C 13 63.748 0.15 . 1 . . . . 125 S CB . 6866 1 1289 . 1 1 125 125 SER N N 15 114.454 0.15 . 1 . . . . 125 S N . 6866 1 1290 . 1 1 126 126 ASN H H 1 8.242 0.05 . 1 . . . . 126 N H . 6866 1 1291 . 1 1 126 126 ASN HA H 1 4.657 0.05 . 1 . . . . 126 N HA . 6866 1 1292 . 1 1 126 126 ASN HB2 H 1 2.642 0.05 . 1 . . . . 126 N QB . 6866 1 1293 . 1 1 126 126 ASN HB3 H 1 2.642 0.05 . 1 . . . . 126 N QB . 6866 1 1294 . 1 1 126 126 ASN C C 13 174.624 0.15 . 1 . . . . 126 N C . 6866 1 1295 . 1 1 126 126 ASN CA C 13 53.292 0.15 . 1 . . . . 126 N CA . 6866 1 1296 . 1 1 126 126 ASN CB C 13 38.797 0.15 . 1 . . . . 126 N CB . 6866 1 1297 . 1 1 126 126 ASN N N 15 120.102 0.15 . 1 . . . . 126 N N . 6866 1 1298 . 1 1 127 127 TRP H H 1 8.051 0.05 . 1 . . . . 127 W H . 6866 1 1299 . 1 1 127 127 TRP HA H 1 4.694 0.05 . 1 . . . . 127 W HA . 6866 1 1300 . 1 1 127 127 TRP HB2 H 1 3.196 0.05 . 2 . . . . 127 W HB2 . 6866 1 1301 . 1 1 127 127 TRP HB3 H 1 3.327 0.05 . 2 . . . . 127 W HB3 . 6866 1 1302 . 1 1 127 127 TRP C C 13 175.479 0.15 . 1 . . . . 127 W C . 6866 1 1303 . 1 1 127 127 TRP CA C 13 57.096 0.15 . 1 . . . . 127 W CA . 6866 1 1304 . 1 1 127 127 TRP CB C 13 29.820 0.15 . 1 . . . . 127 W CB . 6866 1 1305 . 1 1 127 127 TRP N N 15 121.198 0.15 . 1 . . . . 127 W N . 6866 1 1306 . 1 1 128 128 GLY H H 1 7.852 0.05 . 1 . . . . 128 G H . 6866 1 1307 . 1 1 128 128 GLY HA2 H 1 3.719 0.05 . 2 . . . . 128 G HA2 . 6866 1 1308 . 1 1 128 128 GLY HA3 H 1 3.646 0.05 . 2 . . . . 128 G HA3 . 6866 1 1309 . 1 1 128 128 GLY CA C 13 46.279 0.15 . 1 . . . . 128 G CA . 6866 1 1310 . 1 1 128 128 GLY N N 15 116.290 0.15 . 1 . . . . 128 G N . 6866 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 67 6866 1 1 68 6866 1 2 254 6866 1 3 290 6866 1 3 291 6866 1 3 292 6866 1 3 293 6866 1 4 419 6866 1 5 485 6866 1 5 486 6866 1 6 509 6866 1 6 510 6866 1 6 511 6866 1 6 512 6866 1 7 521 6866 1 8 557 6866 1 9 655 6866 1 9 656 6866 1 9 657 6866 1 9 658 6866 1 10 713 6866 1 10 714 6866 1 10 715 6866 1 10 716 6866 1 11 784 6866 1 11 785 6866 1 11 786 6866 1 11 787 6866 1 12 940 6866 1 12 941 6866 1 13 1019 6866 1 13 1020 6866 1 14 1162 6866 1 14 1163 6866 1 15 1210 6866 1 16 1217 6866 1 16 1218 6866 1 stop_ save_