data_6860 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6860 _Entry.Title ; Chemical shift assignments of the human ortholog of tRNA endonuclease subunt SEN15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-10 _Entry.Accession_date 2005-10-11 _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 . . . 6860 2 John Markley . . . 6860 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6860 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 6860 '15N chemical shifts' 124 6860 '1H chemical shifts' 800 6860 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 2005-10-10 update BMRB 'added time domain data' 6860 2 . . 2007-11-14 2005-10-10 update BMRB 'complete entry citation' 6860 1 . . 2005-10-20 2005-10-10 original author 'original release' 6860 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6860 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17166513 _Citation.Full_citation . _Citation.Title 'Three-dimensional structure determined for a subunit of human tRNA splicing endonuclease (Sen15) reveals a novel dimeric fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 366 _Citation.Journal_issue 1 _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 155 _Citation.Page_last 164 _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 . . . 6860 1 2 John Markley . . . 6860 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6860 _Assembly.ID 1 _Assembly.Name BC022030 _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 BC022030 1 $BC022030 . . yes native no no . . . 6860 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BC022030 _Entity.Sf_category entity _Entity.Sf_framecode BC022030 _Entity.Entry_ID 6860 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BC022030 _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 ; SEDAWMGTHPKYLEMMELDI GDATQVYVAFLVYLDLMESK SWHEVNCVGLPELQLICLVG TEIEGEGLQTVVPTPITASL SHNRIREILKASRKLQGDPD LPMSFTLAIVESDSTIVYYK LTD ; _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 123 _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 2GW6 . "Nmr Structure Of The Human Trna Endonuclease Sen15 Subunit" . . . . . 100.00 123 100.00 100.00 4.29e-84 . . . . 6860 1 2 no DBJ BAG53590 . "unnamed protein product [Homo sapiens]" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 3 no DBJ BAG59252 . "unnamed protein product [Homo sapiens]" . . . . . 68.29 129 100.00 100.00 4.26e-53 . . . . 6860 1 4 no GB AAG60614 . "C1orf19 [Homo sapiens]" . . . . . 99.19 197 100.00 100.00 1.72e-82 . . . . 6860 1 5 no GB AAH22030 . "TRNA splicing endonuclease 15 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 6 no GB ADQ33166 . "chromosome 1 open reading frame 19 [synthetic construct]" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 7 no GB AIC52899 . "TSEN15, partial [synthetic construct]" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 8 no GB EAW91173 . "chromosome 1 open reading frame 19, isoform CRA_a [Homo sapiens]" . . . . . 99.19 175 100.00 100.00 3.37e-82 . . . . 6860 1 9 no REF NP_001120866 . "tRNA-splicing endonuclease subunit Sen15 isoform 2 [Homo sapiens]" . . . . . 68.29 129 100.00 100.00 4.26e-53 . . . . 6860 1 10 no REF NP_001287693 . "tRNA-splicing endonuclease subunit Sen15 isoform 3 [Homo sapiens]" . . . . . 99.19 175 100.00 100.00 3.37e-82 . . . . 6860 1 11 no REF NP_001287695 . "tRNA-splicing endonuclease subunit Sen15 isoform 4 [Homo sapiens]" . . . . . 77.24 134 100.00 100.00 1.37e-61 . . . . 6860 1 12 no REF NP_443197 . "tRNA-splicing endonuclease subunit Sen15 isoform 1 [Homo sapiens]" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 13 no REF XP_001109012 . "PREDICTED: tRNA-splicing endonuclease subunit Sen15-like [Macaca mulatta]" . . . . . 99.19 175 99.18 100.00 7.16e-82 . . . . 6860 1 14 no SP Q8WW01 . "RecName: Full=tRNA-splicing endonuclease subunit Sen15; AltName: Full=SEN15 homolog; Short=HsSEN15; AltName: Full=tRNA-intron e" . . . . . 99.19 171 100.00 100.00 4.63e-82 . . . . 6860 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 6860 1 2 . GLU . 6860 1 3 . ASP . 6860 1 4 . ALA . 6860 1 5 . TRP . 6860 1 6 . MET . 6860 1 7 . GLY . 6860 1 8 . THR . 6860 1 9 . HIS . 6860 1 10 . PRO . 6860 1 11 . LYS . 6860 1 12 . TYR . 6860 1 13 . LEU . 6860 1 14 . GLU . 6860 1 15 . MET . 6860 1 16 . MET . 6860 1 17 . GLU . 6860 1 18 . LEU . 6860 1 19 . ASP . 6860 1 20 . ILE . 6860 1 21 . GLY . 6860 1 22 . ASP . 6860 1 23 . ALA . 6860 1 24 . THR . 6860 1 25 . GLN . 6860 1 26 . VAL . 6860 1 27 . TYR . 6860 1 28 . VAL . 6860 1 29 . ALA . 6860 1 30 . PHE . 6860 1 31 . LEU . 6860 1 32 . VAL . 6860 1 33 . TYR . 6860 1 34 . LEU . 6860 1 35 . ASP . 6860 1 36 . LEU . 6860 1 37 . MET . 6860 1 38 . GLU . 6860 1 39 . SER . 6860 1 40 . LYS . 6860 1 41 . SER . 6860 1 42 . TRP . 6860 1 43 . HIS . 6860 1 44 . GLU . 6860 1 45 . VAL . 6860 1 46 . ASN . 6860 1 47 . CYS . 6860 1 48 . VAL . 6860 1 49 . GLY . 6860 1 50 . LEU . 6860 1 51 . PRO . 6860 1 52 . GLU . 6860 1 53 . LEU . 6860 1 54 . GLN . 6860 1 55 . LEU . 6860 1 56 . ILE . 6860 1 57 . CYS . 6860 1 58 . LEU . 6860 1 59 . VAL . 6860 1 60 . GLY . 6860 1 61 . THR . 6860 1 62 . GLU . 6860 1 63 . ILE . 6860 1 64 . GLU . 6860 1 65 . GLY . 6860 1 66 . GLU . 6860 1 67 . GLY . 6860 1 68 . LEU . 6860 1 69 . GLN . 6860 1 70 . THR . 6860 1 71 . VAL . 6860 1 72 . VAL . 6860 1 73 . PRO . 6860 1 74 . THR . 6860 1 75 . PRO . 6860 1 76 . ILE . 6860 1 77 . THR . 6860 1 78 . ALA . 6860 1 79 . SER . 6860 1 80 . LEU . 6860 1 81 . SER . 6860 1 82 . HIS . 6860 1 83 . ASN . 6860 1 84 . ARG . 6860 1 85 . ILE . 6860 1 86 . ARG . 6860 1 87 . GLU . 6860 1 88 . ILE . 6860 1 89 . LEU . 6860 1 90 . LYS . 6860 1 91 . ALA . 6860 1 92 . SER . 6860 1 93 . ARG . 6860 1 94 . LYS . 6860 1 95 . LEU . 6860 1 96 . GLN . 6860 1 97 . GLY . 6860 1 98 . ASP . 6860 1 99 . PRO . 6860 1 100 . ASP . 6860 1 101 . LEU . 6860 1 102 . PRO . 6860 1 103 . MET . 6860 1 104 . SER . 6860 1 105 . PHE . 6860 1 106 . THR . 6860 1 107 . LEU . 6860 1 108 . ALA . 6860 1 109 . ILE . 6860 1 110 . VAL . 6860 1 111 . GLU . 6860 1 112 . SER . 6860 1 113 . ASP . 6860 1 114 . SER . 6860 1 115 . THR . 6860 1 116 . ILE . 6860 1 117 . VAL . 6860 1 118 . TYR . 6860 1 119 . TYR . 6860 1 120 . LYS . 6860 1 121 . LEU . 6860 1 122 . THR . 6860 1 123 . ASP . 6860 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6860 1 . GLU 2 2 6860 1 . ASP 3 3 6860 1 . ALA 4 4 6860 1 . TRP 5 5 6860 1 . MET 6 6 6860 1 . GLY 7 7 6860 1 . THR 8 8 6860 1 . HIS 9 9 6860 1 . PRO 10 10 6860 1 . LYS 11 11 6860 1 . TYR 12 12 6860 1 . LEU 13 13 6860 1 . GLU 14 14 6860 1 . MET 15 15 6860 1 . MET 16 16 6860 1 . GLU 17 17 6860 1 . LEU 18 18 6860 1 . ASP 19 19 6860 1 . ILE 20 20 6860 1 . GLY 21 21 6860 1 . ASP 22 22 6860 1 . ALA 23 23 6860 1 . THR 24 24 6860 1 . GLN 25 25 6860 1 . VAL 26 26 6860 1 . TYR 27 27 6860 1 . VAL 28 28 6860 1 . ALA 29 29 6860 1 . PHE 30 30 6860 1 . LEU 31 31 6860 1 . VAL 32 32 6860 1 . TYR 33 33 6860 1 . LEU 34 34 6860 1 . ASP 35 35 6860 1 . LEU 36 36 6860 1 . MET 37 37 6860 1 . GLU 38 38 6860 1 . SER 39 39 6860 1 . LYS 40 40 6860 1 . SER 41 41 6860 1 . TRP 42 42 6860 1 . HIS 43 43 6860 1 . GLU 44 44 6860 1 . VAL 45 45 6860 1 . ASN 46 46 6860 1 . CYS 47 47 6860 1 . VAL 48 48 6860 1 . GLY 49 49 6860 1 . LEU 50 50 6860 1 . PRO 51 51 6860 1 . GLU 52 52 6860 1 . LEU 53 53 6860 1 . GLN 54 54 6860 1 . LEU 55 55 6860 1 . ILE 56 56 6860 1 . CYS 57 57 6860 1 . LEU 58 58 6860 1 . VAL 59 59 6860 1 . GLY 60 60 6860 1 . THR 61 61 6860 1 . GLU 62 62 6860 1 . ILE 63 63 6860 1 . GLU 64 64 6860 1 . GLY 65 65 6860 1 . GLU 66 66 6860 1 . GLY 67 67 6860 1 . LEU 68 68 6860 1 . GLN 69 69 6860 1 . THR 70 70 6860 1 . VAL 71 71 6860 1 . VAL 72 72 6860 1 . PRO 73 73 6860 1 . THR 74 74 6860 1 . PRO 75 75 6860 1 . ILE 76 76 6860 1 . THR 77 77 6860 1 . ALA 78 78 6860 1 . SER 79 79 6860 1 . LEU 80 80 6860 1 . SER 81 81 6860 1 . HIS 82 82 6860 1 . ASN 83 83 6860 1 . ARG 84 84 6860 1 . ILE 85 85 6860 1 . ARG 86 86 6860 1 . GLU 87 87 6860 1 . ILE 88 88 6860 1 . LEU 89 89 6860 1 . LYS 90 90 6860 1 . ALA 91 91 6860 1 . SER 92 92 6860 1 . ARG 93 93 6860 1 . LYS 94 94 6860 1 . LEU 95 95 6860 1 . GLN 96 96 6860 1 . GLY 97 97 6860 1 . ASP 98 98 6860 1 . PRO 99 99 6860 1 . ASP 100 100 6860 1 . LEU 101 101 6860 1 . PRO 102 102 6860 1 . MET 103 103 6860 1 . SER 104 104 6860 1 . PHE 105 105 6860 1 . THR 106 106 6860 1 . LEU 107 107 6860 1 . ALA 108 108 6860 1 . ILE 109 109 6860 1 . VAL 110 110 6860 1 . GLU 111 111 6860 1 . SER 112 112 6860 1 . ASP 113 113 6860 1 . SER 114 114 6860 1 . THR 115 115 6860 1 . ILE 116 116 6860 1 . VAL 117 117 6860 1 . TYR 118 118 6860 1 . TYR 119 119 6860 1 . LYS 120 120 6860 1 . LEU 121 121 6860 1 . THR 122 122 6860 1 . ASP 123 123 6860 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 6860 _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 $BC022030 . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6860 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 6860 _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 $BC022030 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6860 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6860 _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 BC022030 '[U-15N; U-13C]' 1 . 1 $BC022030 . protein 0.5 . . mM 0.1 . . . 6860 1 2 Bis-Tris . 1 . 1 . . buffer 10 . . mM 0.5 . . . 6860 1 3 DTT . . . . . . 'reducing agent' 10 . . mM 0.5 . . . 6860 1 4 NaCl . . . . . . salt 100 . . mM 5 . . . 6860 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6860 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BC022030 '[U-15N; U-13C]' 1 . 1 $BC022030 . protein 0.5 . . mM 0.1 . . . 6860 2 2 BC022030 . 1 . 1 $BC022030 . protein 0.5 . . mM 0.1 . . . 6860 2 3 Bis-Tris . . . . . . buffer 10 . . mM 0.5 . . . 6860 2 4 DTT . . . . . . 'reducing agent' 10 . . mM 0.5 . . . 6860 2 5 NaCl . . . . . . salt 100 . . mM 5 . . . 6860 2 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 6860 _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 6.0 0.1 pH 6860 1 pressure 1 0.1 atm 6860 1 temperature 298 0.1 K 6860 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 6860 _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_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6860 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6860 _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 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 2 1H,13C-HSQC yes 2 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 3 HNCACB yes 3 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 4 CBCACONH yes 4 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 5 HCCHTOCSY yes 5 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 6 CCONH yes 6 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 7 HCCONH yes 7 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 8 HNCO yes 8 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 9 'N15 T1' yes 9 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 10 'N15 T2' yes 10 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 11 '3D 15N NOESY' yes 11 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 12 '3D 13C NOESY' yes 12 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 13 'C13 filtered/edited NOESY' yes 13 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 14 HBCBCGCDCEHE yes 14 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 15 HBCBCGCDHD yes 15 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 1 16 HBACONH yes 16 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6860 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 6860 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15hsqc_bruker/' . . . . . . . 6860 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15hsqc_bruker/pdata/1/' . . . . . . . 6860 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15hsqc_bruker/' . . . . . . . 6860 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15hsqc_bruker/' . . . . . . . 6860 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15hsqc_bruker/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H,13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_c13hsqc.fid/' . . . . . . . 6860 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13hsqc.fid/' . . . . . . . 6860 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13hsqc.fid/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 3 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hncab_bruker/' . . . . . . . 6860 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hncab_bruker/pdata/1/' . . . . . . . 6860 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hncab_bruker/' . . . . . . . 6860 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hncab_bruker/' . . . . . . . 6860 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hncab_bruker/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 4 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cbcaconh_bruker/' . . . . . . . 6860 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cbcaconh_bruker/pdata/1/' . . . . . . . 6860 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cbcaconh_bruker/' . . . . . . . 6860 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cbcaconh_bruker/' . . . . . . . 6860 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cbcaconh_bruker/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 5 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_hcchtoc.fid/' . . . . . . . 6860 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hcchtoc.fid/' . . . . . . . 6860 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hcchtoc.fid/' . . . . . . . 6860 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 6860 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cconh_bruker/' . . . . . . . 6860 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cconh_bruker/pdata/1/' . . . . . . . 6860 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cconh_bruker/' . . . . . . . 6860 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cconh_bruker/' . . . . . . . 6860 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_cconh_bruker/' . . . . . . . 6860 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 6860 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc0220030_hcconh_bruker/' . . . . . . . 6860 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc0220030_hcconh_bruker/pdata/1/' . . . . . . . 6860 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc0220030_hcconh_bruker/' . . . . . . . 6860 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc0220030_hcconh_bruker/' . . . . . . . 6860 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc0220030_hcconh_bruker/' . . . . . . . 6860 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 6860 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hnco_bruker/' . . . . . . . 6860 8 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hnco_bruker/pdata/1/' . . . . . . . 6860 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hnco_bruker/' . . . . . . . 6860 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hnco_bruker/' . . . . . . . 6860 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hnco_bruker/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'N15 T1' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_n15t1jaulan.fid/' . . . . . . . 6860 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15t1jaulan.fid/' . . . . . . . 6860 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15t1jaulan.fid/' . . . . . . . 6860 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 6860 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'N15 T2' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_n15t2jaulan.fid/' . . . . . . . 6860 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15t2jaulan.fid/' . . . . . . . 6860 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15t2jaulan.fid/' . . . . . . . 6860 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_n15noe.fid/' . . . . . . . 6860 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15noe.fid/' . . . . . . . 6860 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_n15noe.fid/' . . . . . . . 6860 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_c13noe.fid/' . . . . . . . 6860 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13noe.fid/' . . . . . . . 6860 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13noe.fid/' . . . . . . . 6860 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 'C13 filtered/edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_c13filter_3Dnoe900.fid/' . . . . . . . 6860 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13filter_3Dnoe900.fid/' . . . . . . . 6860 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_c13filter_3Dnoe900.fid/' . . . . . . . 6860 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HBCBCGCDCEHE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_hecb.fid/' . . . . . . . 6860 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hecb.fid/' . . . . . . . 6860 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hecb.fid/' . . . . . . . 6860 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HBCBCGCDHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_hdcb.fid/' . . . . . . . 6860 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hdcb.fid/' . . . . . . . 6860 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hdcb.fid/' . . . . . . . 6860 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 6860 _NMR_spec_expt.ID 16 _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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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/bmr6860/timedomain_data/bc022030_hbaconh.fid/' . . . . . . . 6860 16 gmapz.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hbaconh.fid/' . . . . . . . 6860 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hbaconh.fid/' . . . . . . . 6860 16 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6860/timedomain_data/bc022030_hbaconh.fid/' . . . . . . . 6860 16 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 6860 _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 6860 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6860 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6860 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 6860 _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 6860 1 2 1H,13C-HSQC 1 $sample_1 isotropic 6860 1 3 HNCACB 1 $sample_1 isotropic 6860 1 4 CBCACONH 1 $sample_1 isotropic 6860 1 5 HCCHTOCSY 1 $sample_1 isotropic 6860 1 6 CCONH 1 $sample_1 isotropic 6860 1 7 HCCONH 1 $sample_1 isotropic 6860 1 8 HNCO 1 $sample_1 isotropic 6860 1 11 '3D 15N NOESY' 1 $sample_1 isotropic 6860 1 12 '3D 13C NOESY' 1 $sample_1 isotropic 6860 1 13 'C13 filtered/edited NOESY' 2 $sample_2 isotropic 6860 1 16 HBACONH 1 $sample_1 isotropic 6860 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.386 0.05 . 1 . . . . 1 S HA . 6860 1 2 . 1 1 1 1 SER HB2 H 1 3.906 0.05 . 2 . . . . 1 S HB2 . 6860 1 3 . 1 1 1 1 SER HB3 H 1 3.937 0.05 . 2 . . . . 1 S HB3 . 6860 1 4 . 1 1 1 1 SER C C 13 173.958 0.15 . 1 . . . . 1 S C . 6860 1 5 . 1 1 1 1 SER CA C 13 59.316 0.15 . 1 . . . . 1 S CA . 6860 1 6 . 1 1 1 1 SER CB C 13 63.374 0.15 . 1 . . . . 1 S CB . 6860 1 7 . 1 1 2 2 GLU H H 1 8.994 0.05 . 1 . . . . 2 E H . 6860 1 8 . 1 1 2 2 GLU HA H 1 4.278 0.05 . 1 . . . . 2 E HA . 6860 1 9 . 1 1 2 2 GLU HB2 H 1 1.961 0.05 . 2 . . . . 2 E HB2 . 6860 1 10 . 1 1 2 2 GLU HB3 H 1 2.111 0.05 . 2 . . . . 2 E HB3 . 6860 1 11 . 1 1 2 2 GLU HG2 H 1 2.299 0.05 . 2 . . . . 2 E HG2 . 6860 1 12 . 1 1 2 2 GLU HG3 H 1 2.314 0.05 . 2 . . . . 2 E HG3 . 6860 1 13 . 1 1 2 2 GLU C C 13 175.315 0.15 . 1 . . . . 2 E C . 6860 1 14 . 1 1 2 2 GLU CA C 13 57.318 0.15 . 1 . . . . 2 E CA . 6860 1 15 . 1 1 2 2 GLU CB C 13 29.221 0.15 . 1 . . . . 2 E CB . 6860 1 16 . 1 1 2 2 GLU CG C 13 36.049 0.15 . 1 . . . . 2 E CG . 6860 1 17 . 1 1 2 2 GLU N N 15 122.259 0.15 . 1 . . . . 2 E N . 6860 1 18 . 1 1 3 3 ASP H H 1 8.048 0.05 . 1 . . . . 3 D H . 6860 1 19 . 1 1 3 3 ASP HA H 1 4.580 0.05 . 1 . . . . 3 D HA . 6860 1 20 . 1 1 3 3 ASP HB2 H 1 2.663 0.05 . 1 . . . . 3 D HB2 . 6860 1 21 . 1 1 3 3 ASP C C 13 175.636 0.15 . 1 . . . . 3 D C . 6860 1 22 . 1 1 3 3 ASP CA C 13 54.579 0.15 . 1 . . . . 3 D CA . 6860 1 23 . 1 1 3 3 ASP CB C 13 40.984 0.15 . 1 . . . . 3 D CB . 6860 1 24 . 1 1 3 3 ASP N N 15 119.830 0.15 . 1 . . . . 3 D N . 6860 1 25 . 1 1 4 4 ALA H H 1 8.090 0.05 . 1 . . . . 4 A H . 6860 1 26 . 1 1 4 4 ALA HA H 1 4.216 0.05 . 1 . . . . 4 A HA . 6860 1 27 . 1 1 4 4 ALA HB1 H 1 1.395 0.05 . 1 . . . . 4 A QB . 6860 1 28 . 1 1 4 4 ALA HB2 H 1 1.395 0.05 . 1 . . . . 4 A QB . 6860 1 29 . 1 1 4 4 ALA HB3 H 1 1.395 0.05 . 1 . . . . 4 A QB . 6860 1 30 . 1 1 4 4 ALA C C 13 177.157 0.15 . 1 . . . . 4 A C . 6860 1 31 . 1 1 4 4 ALA CA C 13 53.620 0.15 . 1 . . . . 4 A CA . 6860 1 32 . 1 1 4 4 ALA CB C 13 18.728 0.15 . 1 . . . . 4 A CB . 6860 1 33 . 1 1 4 4 ALA N N 15 123.957 0.15 . 1 . . . . 4 A N . 6860 1 34 . 1 1 5 5 TRP H H 1 7.941 0.05 . 1 . . . . 5 W H . 6860 1 35 . 1 1 5 5 TRP HA H 1 4.559 0.05 . 1 . . . . 5 W HA . 6860 1 36 . 1 1 5 5 TRP HB2 H 1 3.315 0.05 . 2 . . . . 5 W HB2 . 6860 1 37 . 1 1 5 5 TRP HB3 H 1 3.417 0.05 . 2 . . . . 5 W HB3 . 6860 1 38 . 1 1 5 5 TRP HE1 H 1 10.320 0.05 . 1 . . . . 5 W HE1 . 6860 1 39 . 1 1 5 5 TRP C C 13 176.072 0.15 . 1 . . . . 5 W C . 6860 1 40 . 1 1 5 5 TRP CA C 13 57.744 0.15 . 1 . . . . 5 W CA . 6860 1 41 . 1 1 5 5 TRP CB C 13 28.906 0.15 . 1 . . . . 5 W CB . 6860 1 42 . 1 1 5 5 TRP N N 15 118.408 0.15 . 1 . . . . 5 W N . 6860 1 43 . 1 1 5 5 TRP NE1 N 15 130.169 0.15 . 1 . . . . 5 W NE1 . 6860 1 44 . 1 1 6 6 MET H H 1 7.679 0.05 . 1 . . . . 6 M H . 6860 1 45 . 1 1 6 6 MET HA H 1 3.785 0.05 . 1 . . . . 6 M HA . 6860 1 46 . 1 1 6 6 MET HB2 H 1 1.502 0.05 . 2 . . . . 6 M HB2 . 6860 1 47 . 1 1 6 6 MET HB3 H 1 1.612 0.05 . 2 . . . . 6 M HB3 . 6860 1 48 . 1 1 6 6 MET HG2 H 1 1.796 0.05 . 1 . . . . 6 M HG2 . 6860 1 49 . 1 1 6 6 MET HE1 H 1 1.913 0.05 . 1 . . . . 6 M QE . 6860 1 50 . 1 1 6 6 MET HE2 H 1 1.913 0.05 . 1 . . . . 6 M QE . 6860 1 51 . 1 1 6 6 MET HE3 H 1 1.913 0.05 . 1 . . . . 6 M QE . 6860 1 52 . 1 1 6 6 MET C C 13 175.174 0.15 . 1 . . . . 6 M C . 6860 1 53 . 1 1 6 6 MET CA C 13 57.724 0.15 . 1 . . . . 6 M CA . 6860 1 54 . 1 1 6 6 MET CB C 13 31.640 0.15 . 1 . . . . 6 M CB . 6860 1 55 . 1 1 6 6 MET CG C 13 31.564 0.15 . 1 . . . . 6 M CG . 6860 1 56 . 1 1 6 6 MET CE C 13 17.104 0.15 . 1 . . . . 6 M CE . 6860 1 57 . 1 1 6 6 MET N N 15 121.538 0.15 . 1 . . . . 6 M N . 6860 1 58 . 1 1 7 7 GLY H H 1 7.247 0.05 . 1 . . . . 7 G H . 6860 1 59 . 1 1 7 7 GLY HA2 H 1 3.455 0.05 . 2 . . . . 7 G HA2 . 6860 1 60 . 1 1 7 7 GLY HA3 H 1 3.578 0.05 . 2 . . . . 7 G HA3 . 6860 1 61 . 1 1 7 7 GLY C C 13 172.852 0.15 . 1 . . . . 7 G C . 6860 1 62 . 1 1 7 7 GLY CA C 13 45.896 0.15 . 1 . . . . 7 G CA . 6860 1 63 . 1 1 7 7 GLY N N 15 104.055 0.15 . 1 . . . . 7 G N . 6860 1 64 . 1 1 8 8 THR H H 1 7.436 0.05 . 1 . . . . 8 T H . 6860 1 65 . 1 1 8 8 THR HA H 1 4.428 0.05 . 1 . . . . 8 T HA . 6860 1 66 . 1 1 8 8 THR HB H 1 4.419 0.05 . 1 . . . . 8 T HB . 6860 1 67 . 1 1 8 8 THR HG21 H 1 1.200 0.05 . 1 . . . . 8 T QG2 . 6860 1 68 . 1 1 8 8 THR HG22 H 1 1.200 0.05 . 1 . . . . 8 T QG2 . 6860 1 69 . 1 1 8 8 THR HG23 H 1 1.200 0.05 . 1 . . . . 8 T QG2 . 6860 1 70 . 1 1 8 8 THR C C 13 172.973 0.15 . 1 . . . . 8 T C . 6860 1 71 . 1 1 8 8 THR CA C 13 60.751 0.15 . 1 . . . . 8 T CA . 6860 1 72 . 1 1 8 8 THR CB C 13 69.637 0.15 . 1 . . . . 8 T CB . 6860 1 73 . 1 1 8 8 THR CG2 C 13 21.470 0.15 . 1 . . . . 8 T CG2 . 6860 1 74 . 1 1 8 8 THR N N 15 107.669 0.15 . 1 . . . . 8 T N . 6860 1 75 . 1 1 9 9 HIS H H 1 8.048 0.05 . 1 . . . . 9 H H . 6860 1 76 . 1 1 9 9 HIS HA H 1 4.654 0.05 . 1 . . . . 9 H HA . 6860 1 77 . 1 1 9 9 HIS HB2 H 1 3.300 0.05 . 2 . . . . 9 H HB2 . 6860 1 78 . 1 1 9 9 HIS HB3 H 1 3.044 0.05 . 2 . . . . 9 H HB3 . 6860 1 79 . 1 1 9 9 HIS CA C 13 56.163 0.15 . 1 . . . . 9 H CA . 6860 1 80 . 1 1 9 9 HIS CB C 13 32.619 0.15 . 1 . . . . 9 H CB . 6860 1 81 . 1 1 9 9 HIS N N 15 127.281 0.15 . 1 . . . . 9 H N . 6860 1 82 . 1 1 10 10 PRO HA H 1 4.257 0.05 . 1 . . . . 10 P HA . 6860 1 83 . 1 1 10 10 PRO HB2 H 1 1.999 0.05 . 2 . . . . 10 P HB2 . 6860 1 84 . 1 1 10 10 PRO HB3 H 1 2.417 0.05 . 2 . . . . 10 P HB3 . 6860 1 85 . 1 1 10 10 PRO HG2 H 1 1.995 0.05 . 1 . . . . 10 P HG2 . 6860 1 86 . 1 1 10 10 PRO HD2 H 1 2.837 0.05 . 2 . . . . 10 P HD2 . 6860 1 87 . 1 1 10 10 PRO HD3 H 1 3.744 0.05 . 2 . . . . 10 P HD3 . 6860 1 88 . 1 1 10 10 PRO C C 13 178.779 0.15 . 1 . . . . 10 P C . 6860 1 89 . 1 1 10 10 PRO CA C 13 65.565 0.15 . 1 . . . . 10 P CA . 6860 1 90 . 1 1 10 10 PRO CB C 13 32.422 0.15 . 1 . . . . 10 P CB . 6860 1 91 . 1 1 10 10 PRO CG C 13 27.530 0.15 . 1 . . . . 10 P CG . 6860 1 92 . 1 1 10 10 PRO CD C 13 50.800 0.15 . 1 . . . . 10 P CD . 6860 1 93 . 1 1 11 11 LYS H H 1 10.994 0.05 . 1 . . . . 11 K H . 6860 1 94 . 1 1 11 11 LYS HA H 1 4.282 0.05 . 1 . . . . 11 K HA . 6860 1 95 . 1 1 11 11 LYS HB2 H 1 1.636 0.05 . 1 . . . . 11 K HB2 . 6860 1 96 . 1 1 11 11 LYS HG2 H 1 0.857 0.05 . 2 . . . . 11 K HG2 . 6860 1 97 . 1 1 11 11 LYS HG3 H 1 1.321 0.05 . 2 . . . . 11 K HG3 . 6860 1 98 . 1 1 11 11 LYS HE2 H 1 2.858 0.05 . 2 . . . . 11 K HE2 . 6860 1 99 . 1 1 11 11 LYS HE3 H 1 2.901 0.05 . 2 . . . . 11 K HE3 . 6860 1 100 . 1 1 11 11 LYS C C 13 177.279 0.15 . 1 . . . . 11 K C . 6860 1 101 . 1 1 11 11 LYS CA C 13 56.859 0.15 . 1 . . . . 11 K CA . 6860 1 102 . 1 1 11 11 LYS CB C 13 31.279 0.15 . 1 . . . . 11 K CB . 6860 1 103 . 1 1 11 11 LYS CG C 13 23.311 0.15 . 1 . . . . 11 K CG . 6860 1 104 . 1 1 11 11 LYS N N 15 121.398 0.15 . 1 . . . . 11 K N . 6860 1 105 . 1 1 12 12 TYR H H 1 7.146 0.05 . 1 . . . . 12 Y H . 6860 1 106 . 1 1 12 12 TYR HA H 1 3.722 0.05 . 1 . . . . 12 Y HA . 6860 1 107 . 1 1 12 12 TYR HB2 H 1 1.562 0.05 . 2 . . . . 12 Y HB2 . 6860 1 108 . 1 1 12 12 TYR HB3 H 1 2.935 0.05 . 2 . . . . 12 Y HB3 . 6860 1 109 . 1 1 12 12 TYR HD1 H 1 6.515 0.05 . 4 . . . . 12 Y QD . 6860 1 110 . 1 1 12 12 TYR HD2 H 1 6.515 0.05 . 4 . . . . 12 Y QD . 6860 1 111 . 1 1 12 12 TYR HE1 H 1 6.683 0.05 . 4 . . . . 12 Y QE . 6860 1 112 . 1 1 12 12 TYR HE2 H 1 6.683 0.05 . 4 . . . . 12 Y QE . 6860 1 113 . 1 1 12 12 TYR C C 13 176.265 0.15 . 1 . . . . 12 Y C . 6860 1 114 . 1 1 12 12 TYR CA C 13 61.189 0.15 . 1 . . . . 12 Y CA . 6860 1 115 . 1 1 12 12 TYR CB C 13 37.796 0.15 . 1 . . . . 12 Y CB . 6860 1 116 . 1 1 12 12 TYR N N 15 121.579 0.15 . 1 . . . . 12 Y N . 6860 1 117 . 1 1 13 13 LEU H H 1 7.778 0.05 . 1 . . . . 13 L H . 6860 1 118 . 1 1 13 13 LEU HA H 1 3.773 0.05 . 1 . . . . 13 L HA . 6860 1 119 . 1 1 13 13 LEU HB2 H 1 1.506 0.05 . 2 . . . . 13 L HB2 . 6860 1 120 . 1 1 13 13 LEU HB3 H 1 1.769 0.05 . 2 . . . . 13 L HB3 . 6860 1 121 . 1 1 13 13 LEU HD11 H 1 0.898 0.05 . 2 . . . . 13 L QD1 . 6860 1 122 . 1 1 13 13 LEU HD12 H 1 0.898 0.05 . 2 . . . . 13 L QD1 . 6860 1 123 . 1 1 13 13 LEU HD13 H 1 0.898 0.05 . 2 . . . . 13 L QD1 . 6860 1 124 . 1 1 13 13 LEU HD21 H 1 0.867 0.05 . 2 . . . . 13 L QD2 . 6860 1 125 . 1 1 13 13 LEU HD22 H 1 0.867 0.05 . 2 . . . . 13 L QD2 . 6860 1 126 . 1 1 13 13 LEU HD23 H 1 0.867 0.05 . 2 . . . . 13 L QD2 . 6860 1 127 . 1 1 13 13 LEU C C 13 178.462 0.15 . 1 . . . . 13 L C . 6860 1 128 . 1 1 13 13 LEU CA C 13 57.942 0.15 . 1 . . . . 13 L CA . 6860 1 129 . 1 1 13 13 LEU CB C 13 41.064 0.15 . 1 . . . . 13 L CB . 6860 1 130 . 1 1 13 13 LEU CD1 C 13 22.601 0.15 . 2 . . . . 13 L CD1 . 6860 1 131 . 1 1 13 13 LEU CD2 C 13 25.362 0.15 . 2 . . . . 13 L CD2 . 6860 1 132 . 1 1 13 13 LEU N N 15 117.518 0.15 . 1 . . . . 13 L N . 6860 1 133 . 1 1 14 14 GLU H H 1 7.867 0.05 . 1 . . . . 14 E H . 6860 1 134 . 1 1 14 14 GLU HA H 1 3.935 0.05 . 1 . . . . 14 E HA . 6860 1 135 . 1 1 14 14 GLU HB2 H 1 2.085 0.05 . 2 . . . . 14 E HB2 . 6860 1 136 . 1 1 14 14 GLU HB3 H 1 2.180 0.05 . 2 . . . . 14 E HB3 . 6860 1 137 . 1 1 14 14 GLU HG2 H 1 2.047 0.05 . 2 . . . . 14 E HG2 . 6860 1 138 . 1 1 14 14 GLU HG3 H 1 2.428 0.05 . 2 . . . . 14 E HG3 . 6860 1 139 . 1 1 14 14 GLU C C 13 178.326 0.15 . 1 . . . . 14 E C . 6860 1 140 . 1 1 14 14 GLU CA C 13 59.368 0.15 . 1 . . . . 14 E CA . 6860 1 141 . 1 1 14 14 GLU CB C 13 30.147 0.15 . 1 . . . . 14 E CB . 6860 1 142 . 1 1 14 14 GLU CG C 13 36.075 0.15 . 1 . . . . 14 E CG . 6860 1 143 . 1 1 14 14 GLU N N 15 119.135 0.15 . 1 . . . . 14 E N . 6860 1 144 . 1 1 15 15 MET H H 1 7.773 0.05 . 1 . . . . 15 M H . 6860 1 145 . 1 1 15 15 MET HA H 1 3.936 0.05 . 1 . . . . 15 M HA . 6860 1 146 . 1 1 15 15 MET HB2 H 1 2.037 0.05 . 1 . . . . 15 M HB2 . 6860 1 147 . 1 1 15 15 MET HG2 H 1 2.338 0.05 . 2 . . . . 15 M HG2 . 6860 1 148 . 1 1 15 15 MET HG3 H 1 2.972 0.05 . 2 . . . . 15 M HG3 . 6860 1 149 . 1 1 15 15 MET HE1 H 1 1.892 0.05 . 1 . . . . 15 M QE . 6860 1 150 . 1 1 15 15 MET HE2 H 1 1.892 0.05 . 1 . . . . 15 M QE . 6860 1 151 . 1 1 15 15 MET HE3 H 1 1.892 0.05 . 1 . . . . 15 M QE . 6860 1 152 . 1 1 15 15 MET C C 13 177.886 0.15 . 1 . . . . 15 M C . 6860 1 153 . 1 1 15 15 MET CA C 13 59.465 0.15 . 1 . . . . 15 M CA . 6860 1 154 . 1 1 15 15 MET CB C 13 33.987 0.15 . 1 . . . . 15 M CB . 6860 1 155 . 1 1 15 15 MET CG C 13 34.518 0.15 . 1 . . . . 15 M CG . 6860 1 156 . 1 1 15 15 MET CE C 13 17.977 0.15 . 1 . . . . 15 M CE . 6860 1 157 . 1 1 15 15 MET N N 15 117.884 0.15 . 1 . . . . 15 M N . 6860 1 158 . 1 1 16 16 MET H H 1 8.145 0.05 . 1 . . . . 16 M H . 6860 1 159 . 1 1 16 16 MET HA H 1 4.159 0.05 . 1 . . . . 16 M HA . 6860 1 160 . 1 1 16 16 MET HB2 H 1 2.043 0.05 . 1 . . . . 16 M HB2 . 6860 1 161 . 1 1 16 16 MET HG2 H 1 2.326 0.05 . 2 . . . . 16 M HG2 . 6860 1 162 . 1 1 16 16 MET HG3 H 1 2.108 0.05 . 2 . . . . 16 M HG3 . 6860 1 163 . 1 1 16 16 MET HE1 H 1 1.961 0.05 . 1 . . . . 16 M QE . 6860 1 164 . 1 1 16 16 MET HE2 H 1 1.961 0.05 . 1 . . . . 16 M QE . 6860 1 165 . 1 1 16 16 MET HE3 H 1 1.961 0.05 . 1 . . . . 16 M QE . 6860 1 166 . 1 1 16 16 MET C C 13 177.835 0.15 . 1 . . . . 16 M C . 6860 1 167 . 1 1 16 16 MET CA C 13 57.397 0.15 . 1 . . . . 16 M CA . 6860 1 168 . 1 1 16 16 MET CB C 13 31.867 0.15 . 1 . . . . 16 M CB . 6860 1 169 . 1 1 16 16 MET CG C 13 32.144 0.15 . 1 . . . . 16 M CG . 6860 1 170 . 1 1 16 16 MET CE C 13 16.464 0.15 . 1 . . . . 16 M CE . 6860 1 171 . 1 1 16 16 MET N N 15 119.555 0.15 . 1 . . . . 16 M N . 6860 1 172 . 1 1 17 17 GLU H H 1 7.761 0.05 . 1 . . . . 17 E H . 6860 1 173 . 1 1 17 17 GLU HA H 1 4.117 0.05 . 1 . . . . 17 E HA . 6860 1 174 . 1 1 17 17 GLU HB2 H 1 2.100 0.05 . 1 . . . . 17 E HB2 . 6860 1 175 . 1 1 17 17 GLU HG2 H 1 2.494 0.05 . 1 . . . . 17 E HG2 . 6860 1 176 . 1 1 17 17 GLU C C 13 175.994 0.15 . 1 . . . . 17 E C . 6860 1 177 . 1 1 17 17 GLU CA C 13 57.392 0.15 . 1 . . . . 17 E CA . 6860 1 178 . 1 1 17 17 GLU CB C 13 29.432 0.15 . 1 . . . . 17 E CB . 6860 1 179 . 1 1 17 17 GLU CG C 13 36.260 0.15 . 1 . . . . 17 E CG . 6860 1 180 . 1 1 17 17 GLU N N 15 118.216 0.15 . 1 . . . . 17 E N . 6860 1 181 . 1 1 18 18 LEU H H 1 7.201 0.05 . 1 . . . . 18 L H . 6860 1 182 . 1 1 18 18 LEU HA H 1 4.111 0.05 . 1 . . . . 18 L HA . 6860 1 183 . 1 1 18 18 LEU HB2 H 1 1.308 0.05 . 2 . . . . 18 L HB2 . 6860 1 184 . 1 1 18 18 LEU HB3 H 1 1.997 0.05 . 2 . . . . 18 L HB3 . 6860 1 185 . 1 1 18 18 LEU HD11 H 1 0.900 0.05 . 2 . . . . 18 L QD1 . 6860 1 186 . 1 1 18 18 LEU HD12 H 1 0.900 0.05 . 2 . . . . 18 L QD1 . 6860 1 187 . 1 1 18 18 LEU HD13 H 1 0.900 0.05 . 2 . . . . 18 L QD1 . 6860 1 188 . 1 1 18 18 LEU HD21 H 1 0.842 0.05 . 2 . . . . 18 L QD2 . 6860 1 189 . 1 1 18 18 LEU HD22 H 1 0.842 0.05 . 2 . . . . 18 L QD2 . 6860 1 190 . 1 1 18 18 LEU HD23 H 1 0.842 0.05 . 2 . . . . 18 L QD2 . 6860 1 191 . 1 1 18 18 LEU C C 13 175.781 0.15 . 1 . . . . 18 L C . 6860 1 192 . 1 1 18 18 LEU CA C 13 56.366 0.15 . 1 . . . . 18 L CA . 6860 1 193 . 1 1 18 18 LEU CB C 13 42.030 0.15 . 1 . . . . 18 L CB . 6860 1 194 . 1 1 18 18 LEU CD1 C 13 22.603 0.15 . 2 . . . . 18 L CD1 . 6860 1 195 . 1 1 18 18 LEU CD2 C 13 25.729 0.15 . 2 . . . . 18 L CD2 . 6860 1 196 . 1 1 18 18 LEU N N 15 117.448 0.15 . 1 . . . . 18 L N . 6860 1 197 . 1 1 19 19 ASP H H 1 7.789 0.05 . 1 . . . . 19 D H . 6860 1 198 . 1 1 19 19 ASP HA H 1 4.360 0.05 . 1 . . . . 19 D HA . 6860 1 199 . 1 1 19 19 ASP HB2 H 1 2.417 0.05 . 2 . . . . 19 D HB2 . 6860 1 200 . 1 1 19 19 ASP HB3 H 1 3.109 0.05 . 2 . . . . 19 D HB3 . 6860 1 201 . 1 1 19 19 ASP C C 13 173.765 0.15 . 1 . . . . 19 D C . 6860 1 202 . 1 1 19 19 ASP CA C 13 54.851 0.15 . 1 . . . . 19 D CA . 6860 1 203 . 1 1 19 19 ASP CB C 13 39.115 0.15 . 1 . . . . 19 D CB . 6860 1 204 . 1 1 19 19 ASP N N 15 115.844 0.15 . 1 . . . . 19 D N . 6860 1 205 . 1 1 20 20 ILE H H 1 8.142 0.05 . 1 . . . . 20 I H . 6860 1 206 . 1 1 20 20 ILE HA H 1 4.128 0.05 . 1 . . . . 20 I HA . 6860 1 207 . 1 1 20 20 ILE HB H 1 1.421 0.05 . 1 . . . . 20 I HB . 6860 1 208 . 1 1 20 20 ILE HG12 H 1 0.942 0.05 . 2 . . . . 20 I HG12 . 6860 1 209 . 1 1 20 20 ILE HG13 H 1 1.440 0.05 . 2 . . . . 20 I HG13 . 6860 1 210 . 1 1 20 20 ILE HG21 H 1 0.604 0.05 . 1 . . . . 20 I QG2 . 6860 1 211 . 1 1 20 20 ILE HG22 H 1 0.604 0.05 . 1 . . . . 20 I QG2 . 6860 1 212 . 1 1 20 20 ILE HG23 H 1 0.604 0.05 . 1 . . . . 20 I QG2 . 6860 1 213 . 1 1 20 20 ILE HD11 H 1 0.648 0.05 . 1 . . . . 20 I QD1 . 6860 1 214 . 1 1 20 20 ILE HD12 H 1 0.648 0.05 . 1 . . . . 20 I QD1 . 6860 1 215 . 1 1 20 20 ILE HD13 H 1 0.648 0.05 . 1 . . . . 20 I QD1 . 6860 1 216 . 1 1 20 20 ILE C C 13 174.710 0.15 . 1 . . . . 20 I C . 6860 1 217 . 1 1 20 20 ILE CA C 13 60.465 0.15 . 1 . . . . 20 I CA . 6860 1 218 . 1 1 20 20 ILE CB C 13 40.407 0.15 . 1 . . . . 20 I CB . 6860 1 219 . 1 1 20 20 ILE CG1 C 13 27.145 0.15 . 1 . . . . 20 I CG1 . 6860 1 220 . 1 1 20 20 ILE CG2 C 13 17.506 0.15 . 1 . . . . 20 I CG2 . 6860 1 221 . 1 1 20 20 ILE CD1 C 13 13.687 0.15 . 1 . . . . 20 I CD1 . 6860 1 222 . 1 1 20 20 ILE N N 15 117.287 0.15 . 1 . . . . 20 I N . 6860 1 223 . 1 1 21 21 GLY H H 1 8.207 0.05 . 1 . . . . 21 G H . 6860 1 224 . 1 1 21 21 GLY HA2 H 1 3.889 0.05 . 2 . . . . 21 G HA2 . 6860 1 225 . 1 1 21 21 GLY HA3 H 1 3.924 0.05 . 2 . . . . 21 G HA3 . 6860 1 226 . 1 1 21 21 GLY C C 13 172.162 0.15 . 1 . . . . 21 G C . 6860 1 227 . 1 1 21 21 GLY CA C 13 45.017 0.15 . 1 . . . . 21 G CA . 6860 1 228 . 1 1 21 21 GLY N N 15 110.656 0.15 . 1 . . . . 21 G N . 6860 1 229 . 1 1 22 22 ASP H H 1 7.727 0.05 . 1 . . . . 22 D H . 6860 1 230 . 1 1 22 22 ASP HA H 1 4.794 0.05 . 1 . . . . 22 D HA . 6860 1 231 . 1 1 22 22 ASP HB2 H 1 2.799 0.05 . 2 . . . . 22 D HB2 . 6860 1 232 . 1 1 22 22 ASP HB3 H 1 3.043 0.05 . 2 . . . . 22 D HB3 . 6860 1 233 . 1 1 22 22 ASP C C 13 174.884 0.15 . 1 . . . . 22 D C . 6860 1 234 . 1 1 22 22 ASP CA C 13 52.471 0.15 . 1 . . . . 22 D CA . 6860 1 235 . 1 1 22 22 ASP CB C 13 42.069 0.15 . 1 . . . . 22 D CB . 6860 1 236 . 1 1 22 22 ASP N N 15 119.305 0.15 . 1 . . . . 22 D N . 6860 1 237 . 1 1 23 23 ALA H H 1 8.644 0.05 . 1 . . . . 23 A H . 6860 1 238 . 1 1 23 23 ALA HA H 1 4.120 0.05 . 1 . . . . 23 A HA . 6860 1 239 . 1 1 23 23 ALA HB1 H 1 1.548 0.05 . 1 . . . . 23 A QB . 6860 1 240 . 1 1 23 23 ALA HB2 H 1 1.548 0.05 . 1 . . . . 23 A QB . 6860 1 241 . 1 1 23 23 ALA HB3 H 1 1.548 0.05 . 1 . . . . 23 A QB . 6860 1 242 . 1 1 23 23 ALA C C 13 179.546 0.15 . 1 . . . . 23 A C . 6860 1 243 . 1 1 23 23 ALA CA C 13 55.609 0.15 . 1 . . . . 23 A CA . 6860 1 244 . 1 1 23 23 ALA CB C 13 18.573 0.15 . 1 . . . . 23 A CB . 6860 1 245 . 1 1 23 23 ALA N N 15 122.468 0.15 . 1 . . . . 23 A N . 6860 1 246 . 1 1 24 24 THR H H 1 8.238 0.05 . 1 . . . . 24 T H . 6860 1 247 . 1 1 24 24 THR HA H 1 4.184 0.05 . 1 . . . . 24 T HA . 6860 1 248 . 1 1 24 24 THR HB H 1 4.380 0.05 . 1 . . . . 24 T HB . 6860 1 249 . 1 1 24 24 THR HG21 H 1 1.348 0.05 . 1 . . . . 24 T QG2 . 6860 1 250 . 1 1 24 24 THR HG22 H 1 1.348 0.05 . 1 . . . . 24 T QG2 . 6860 1 251 . 1 1 24 24 THR HG23 H 1 1.348 0.05 . 1 . . . . 24 T QG2 . 6860 1 252 . 1 1 24 24 THR C C 13 174.841 0.15 . 1 . . . . 24 T C . 6860 1 253 . 1 1 24 24 THR CA C 13 66.241 0.15 . 1 . . . . 24 T CA . 6860 1 254 . 1 1 24 24 THR CB C 13 68.376 0.15 . 1 . . . . 24 T CB . 6860 1 255 . 1 1 24 24 THR CG2 C 13 22.168 0.15 . 1 . . . . 24 T CG2 . 6860 1 256 . 1 1 24 24 THR N N 15 114.824 0.15 . 1 . . . . 24 T N . 6860 1 257 . 1 1 25 25 GLN H H 1 8.037 0.05 . 1 . . . . 25 Q H . 6860 1 258 . 1 1 25 25 GLN HA H 1 4.095 0.05 . 1 . . . . 25 Q HA . 6860 1 259 . 1 1 25 25 GLN HB2 H 1 2.080 0.05 . 2 . . . . 25 Q HB2 . 6860 1 260 . 1 1 25 25 GLN HB3 H 1 2.287 0.05 . 2 . . . . 25 Q HB3 . 6860 1 261 . 1 1 25 25 GLN HG2 H 1 2.450 0.05 . 2 . . . . 25 Q HG2 . 6860 1 262 . 1 1 25 25 GLN HG3 H 1 2.685 0.05 . 2 . . . . 25 Q HG3 . 6860 1 263 . 1 1 25 25 GLN HE21 H 1 7.606 0.05 . 2 . . . . 25 Q HE21 . 6860 1 264 . 1 1 25 25 GLN HE22 H 1 7.101 0.05 . 2 . . . . 25 Q HE22 . 6860 1 265 . 1 1 25 25 GLN C C 13 177.603 0.15 . 1 . . . . 25 Q C . 6860 1 266 . 1 1 25 25 GLN CA C 13 59.261 0.15 . 1 . . . . 25 Q CA . 6860 1 267 . 1 1 25 25 GLN CB C 13 28.437 0.15 . 1 . . . . 25 Q CB . 6860 1 268 . 1 1 25 25 GLN CG C 13 34.801 0.15 . 1 . . . . 25 Q CG . 6860 1 269 . 1 1 25 25 GLN N N 15 122.518 0.15 . 1 . . . . 25 Q N . 6860 1 270 . 1 1 25 25 GLN NE2 N 15 109.900 0.15 . 1 . . . . 25 Q NE2 . 6860 1 271 . 1 1 26 26 VAL H H 1 7.994 0.05 . 1 . . . . 26 V H . 6860 1 272 . 1 1 26 26 VAL HA H 1 3.469 0.05 . 1 . . . . 26 V HA . 6860 1 273 . 1 1 26 26 VAL HB H 1 2.085 0.05 . 1 . . . . 26 V HB . 6860 1 274 . 1 1 26 26 VAL HG11 H 1 0.638 0.05 . 1 . . . . 26 V QG1 . 6860 1 275 . 1 1 26 26 VAL HG12 H 1 0.638 0.05 . 1 . . . . 26 V QG1 . 6860 1 276 . 1 1 26 26 VAL HG13 H 1 0.638 0.05 . 1 . . . . 26 V QG1 . 6860 1 277 . 1 1 26 26 VAL HG21 H 1 0.935 0.05 . 1 . . . . 26 V QG2 . 6860 1 278 . 1 1 26 26 VAL HG22 H 1 0.935 0.05 . 1 . . . . 26 V QG2 . 6860 1 279 . 1 1 26 26 VAL HG23 H 1 0.935 0.05 . 1 . . . . 26 V QG2 . 6860 1 280 . 1 1 26 26 VAL C C 13 175.552 0.15 . 1 . . . . 26 V C . 6860 1 281 . 1 1 26 26 VAL CA C 13 66.909 0.15 . 1 . . . . 26 V CA . 6860 1 282 . 1 1 26 26 VAL CB C 13 31.582 0.15 . 1 . . . . 26 V CB . 6860 1 283 . 1 1 26 26 VAL CG1 C 13 22.135 0.15 . 2 . . . . 26 V CG1 . 6860 1 284 . 1 1 26 26 VAL CG2 C 13 23.443 0.15 . 2 . . . . 26 V CG2 . 6860 1 285 . 1 1 26 26 VAL N N 15 119.112 0.15 . 1 . . . . 26 V N . 6860 1 286 . 1 1 27 27 TYR H H 1 8.003 0.05 . 1 . . . . 27 Y H . 6860 1 287 . 1 1 27 27 TYR HA H 1 4.357 0.05 . 1 . . . . 27 Y HA . 6860 1 288 . 1 1 27 27 TYR HB2 H 1 3.289 0.05 . 2 . . . . 27 Y HB2 . 6860 1 289 . 1 1 27 27 TYR HB3 H 1 3.501 0.05 . 2 . . . . 27 Y HB3 . 6860 1 290 . 1 1 27 27 TYR HD1 H 1 7.086 0.05 . 1 . . . . 27 Y QD . 6860 1 291 . 1 1 27 27 TYR HD2 H 1 7.086 0.05 . 1 . . . . 27 Y QD . 6860 1 292 . 1 1 27 27 TYR HE1 H 1 6.767 0.05 . 1 . . . . 27 Y QE . 6860 1 293 . 1 1 27 27 TYR HE2 H 1 6.767 0.05 . 1 . . . . 27 Y QE . 6860 1 294 . 1 1 27 27 TYR C C 13 175.856 0.15 . 1 . . . . 27 Y C . 6860 1 295 . 1 1 27 27 TYR CA C 13 62.197 0.15 . 1 . . . . 27 Y CA . 6860 1 296 . 1 1 27 27 TYR CB C 13 38.394 0.15 . 1 . . . . 27 Y CB . 6860 1 297 . 1 1 27 27 TYR N N 15 119.170 0.15 . 1 . . . . 27 Y N . 6860 1 298 . 1 1 28 28 VAL H H 1 8.087 0.05 . 1 . . . . 28 V H . 6860 1 299 . 1 1 28 28 VAL HA H 1 3.652 0.05 . 1 . . . . 28 V HA . 6860 1 300 . 1 1 28 28 VAL HB H 1 2.194 0.05 . 1 . . . . 28 V HB . 6860 1 301 . 1 1 28 28 VAL HG11 H 1 1.147 0.05 . 1 . . . . 28 V QG1 . 6860 1 302 . 1 1 28 28 VAL HG12 H 1 1.147 0.05 . 1 . . . . 28 V QG1 . 6860 1 303 . 1 1 28 28 VAL HG13 H 1 1.147 0.05 . 1 . . . . 28 V QG1 . 6860 1 304 . 1 1 28 28 VAL HG21 H 1 0.988 0.05 . 1 . . . . 28 V QG2 . 6860 1 305 . 1 1 28 28 VAL HG22 H 1 0.988 0.05 . 1 . . . . 28 V QG2 . 6860 1 306 . 1 1 28 28 VAL HG23 H 1 0.988 0.05 . 1 . . . . 28 V QG2 . 6860 1 307 . 1 1 28 28 VAL C C 13 176.134 0.15 . 1 . . . . 28 V C . 6860 1 308 . 1 1 28 28 VAL CA C 13 66.247 0.15 . 1 . . . . 28 V CA . 6860 1 309 . 1 1 28 28 VAL CB C 13 31.241 0.15 . 1 . . . . 28 V CB . 6860 1 310 . 1 1 28 28 VAL CG1 C 13 21.658 0.15 . 1 . . . . 28 V CG1 . 6860 1 311 . 1 1 28 28 VAL CG2 C 13 22.001 0.15 . 1 . . . . 28 V CG2 . 6860 1 312 . 1 1 28 28 VAL N N 15 113.112 0.15 . 1 . . . . 28 V N . 6860 1 313 . 1 1 29 29 ALA H H 1 7.853 0.05 . 1 . . . . 29 A H . 6860 1 314 . 1 1 29 29 ALA HA H 1 3.913 0.05 . 1 . . . . 29 A HA . 6860 1 315 . 1 1 29 29 ALA HB1 H 1 1.491 0.05 . 1 . . . . 29 A QB . 6860 1 316 . 1 1 29 29 ALA HB2 H 1 1.491 0.05 . 1 . . . . 29 A QB . 6860 1 317 . 1 1 29 29 ALA HB3 H 1 1.491 0.05 . 1 . . . . 29 A QB . 6860 1 318 . 1 1 29 29 ALA C C 13 177.850 0.15 . 1 . . . . 29 A C . 6860 1 319 . 1 1 29 29 ALA CA C 13 55.274 0.15 . 1 . . . . 29 A CA . 6860 1 320 . 1 1 29 29 ALA CB C 13 17.876 0.15 . 1 . . . . 29 A CB . 6860 1 321 . 1 1 29 29 ALA N N 15 121.350 0.15 . 1 . . . . 29 A N . 6860 1 322 . 1 1 30 30 PHE H H 1 8.724 0.05 . 1 . . . . 30 F H . 6860 1 323 . 1 1 30 30 PHE HA H 1 4.098 0.05 . 1 . . . . 30 F HA . 6860 1 324 . 1 1 30 30 PHE HB2 H 1 3.318 0.05 . 2 . . . . 30 F HB2 . 6860 1 325 . 1 1 30 30 PHE HD1 H 1 6.829 0.05 . 1 . . . . 30 F QD . 6860 1 326 . 1 1 30 30 PHE HD2 H 1 6.829 0.05 . 1 . . . . 30 F QD . 6860 1 327 . 1 1 30 30 PHE C C 13 175.035 0.15 . 1 . . . . 30 F C . 6860 1 328 . 1 1 30 30 PHE CA C 13 61.264 0.15 . 1 . . . . 30 F CA . 6860 1 329 . 1 1 30 30 PHE CB C 13 38.926 0.15 . 1 . . . . 30 F CB . 6860 1 330 . 1 1 30 30 PHE N N 15 120.478 0.15 . 1 . . . . 30 F N . 6860 1 331 . 1 1 31 31 LEU H H 1 8.146 0.05 . 1 . . . . 31 L H . 6860 1 332 . 1 1 31 31 LEU HA H 1 3.597 0.05 . 1 . . . . 31 L HA . 6860 1 333 . 1 1 31 31 LEU HB2 H 1 1.192 0.05 . 2 . . . . 31 L HB2 . 6860 1 334 . 1 1 31 31 LEU HB3 H 1 1.835 0.05 . 2 . . . . 31 L HB3 . 6860 1 335 . 1 1 31 31 LEU HD11 H 1 0.736 0.05 . 2 . . . . 31 L QD1 . 6860 1 336 . 1 1 31 31 LEU HD12 H 1 0.736 0.05 . 2 . . . . 31 L QD1 . 6860 1 337 . 1 1 31 31 LEU HD13 H 1 0.736 0.05 . 2 . . . . 31 L QD1 . 6860 1 338 . 1 1 31 31 LEU HD21 H 1 0.705 0.05 . 2 . . . . 31 L QD2 . 6860 1 339 . 1 1 31 31 LEU HD22 H 1 0.705 0.05 . 2 . . . . 31 L QD2 . 6860 1 340 . 1 1 31 31 LEU HD23 H 1 0.705 0.05 . 2 . . . . 31 L QD2 . 6860 1 341 . 1 1 31 31 LEU C C 13 179.508 0.15 . 1 . . . . 31 L C . 6860 1 342 . 1 1 31 31 LEU CA C 13 57.884 0.15 . 1 . . . . 31 L CA . 6860 1 343 . 1 1 31 31 LEU CB C 13 41.829 0.15 . 1 . . . . 31 L CB . 6860 1 344 . 1 1 31 31 LEU CD1 C 13 22.227 0.15 . 2 . . . . 31 L CD1 . 6860 1 345 . 1 1 31 31 LEU CD2 C 13 25.864 0.15 . 2 . . . . 31 L CD2 . 6860 1 346 . 1 1 31 31 LEU N N 15 118.427 0.15 . 1 . . . . 31 L N . 6860 1 347 . 1 1 32 32 VAL H H 1 7.627 0.05 . 1 . . . . 32 V H . 6860 1 348 . 1 1 32 32 VAL HA H 1 3.464 0.05 . 1 . . . . 32 V HA . 6860 1 349 . 1 1 32 32 VAL HB H 1 1.938 0.05 . 1 . . . . 32 V HB . 6860 1 350 . 1 1 32 32 VAL HG11 H 1 0.853 0.05 . 2 . . . . 32 V QG1 . 6860 1 351 . 1 1 32 32 VAL HG12 H 1 0.853 0.05 . 2 . . . . 32 V QG1 . 6860 1 352 . 1 1 32 32 VAL HG13 H 1 0.853 0.05 . 2 . . . . 32 V QG1 . 6860 1 353 . 1 1 32 32 VAL HG21 H 1 0.860 0.05 . 2 . . . . 32 V QG2 . 6860 1 354 . 1 1 32 32 VAL HG22 H 1 0.860 0.05 . 2 . . . . 32 V QG2 . 6860 1 355 . 1 1 32 32 VAL HG23 H 1 0.860 0.05 . 2 . . . . 32 V QG2 . 6860 1 356 . 1 1 32 32 VAL C C 13 174.956 0.15 . 1 . . . . 32 V C . 6860 1 357 . 1 1 32 32 VAL CA C 13 66.373 0.15 . 1 . . . . 32 V CA . 6860 1 358 . 1 1 32 32 VAL CB C 13 31.121 0.15 . 1 . . . . 32 V CB . 6860 1 359 . 1 1 32 32 VAL CG1 C 13 24.143 0.15 . 2 . . . . 32 V CG1 . 6860 1 360 . 1 1 32 32 VAL CG2 C 13 22.176 0.15 . 2 . . . . 32 V CG2 . 6860 1 361 . 1 1 32 32 VAL N N 15 119.497 0.15 . 1 . . . . 32 V N . 6860 1 362 . 1 1 33 33 TYR H H 1 8.366 0.05 . 1 . . . . 33 Y H . 6860 1 363 . 1 1 33 33 TYR HA H 1 3.485 0.05 . 1 . . . . 33 Y HA . 6860 1 364 . 1 1 33 33 TYR HB2 H 1 3.279 0.05 . 2 . . . . 33 Y HB2 . 6860 1 365 . 1 1 33 33 TYR HB3 H 1 2.764 0.05 . 2 . . . . 33 Y HB3 . 6860 1 366 . 1 1 33 33 TYR HD1 H 1 6.619 0.05 . 1 . . . . 33 Y QD . 6860 1 367 . 1 1 33 33 TYR HD2 H 1 6.619 0.05 . 1 . . . . 33 Y QD . 6860 1 368 . 1 1 33 33 TYR HE1 H 1 6.791 0.05 . 1 . . . . 33 Y QE . 6860 1 369 . 1 1 33 33 TYR HE2 H 1 6.791 0.05 . 1 . . . . 33 Y QE . 6860 1 370 . 1 1 33 33 TYR C C 13 174.883 0.15 . 1 . . . . 33 Y C . 6860 1 371 . 1 1 33 33 TYR CA C 13 62.866 0.15 . 1 . . . . 33 Y CA . 6860 1 372 . 1 1 33 33 TYR CB C 13 37.778 0.15 . 1 . . . . 33 Y CB . 6860 1 373 . 1 1 33 33 TYR N N 15 121.842 0.15 . 1 . . . . 33 Y N . 6860 1 374 . 1 1 34 34 LEU H H 1 8.000 0.05 . 1 . . . . 34 L H . 6860 1 375 . 1 1 34 34 LEU HA H 1 3.495 0.05 . 1 . . . . 34 L HA . 6860 1 376 . 1 1 34 34 LEU HB2 H 1 1.476 0.05 . 2 . . . . 34 L HB2 . 6860 1 377 . 1 1 34 34 LEU HB3 H 1 1.220 0.05 . 2 . . . . 34 L HB3 . 6860 1 378 . 1 1 34 34 LEU HG H 1 1.035 0.05 . 1 . . . . 34 L HG . 6860 1 379 . 1 1 34 34 LEU HD11 H 1 0.655 0.05 . 2 . . . . 34 L QD1 . 6860 1 380 . 1 1 34 34 LEU HD12 H 1 0.655 0.05 . 2 . . . . 34 L QD1 . 6860 1 381 . 1 1 34 34 LEU HD13 H 1 0.655 0.05 . 2 . . . . 34 L QD1 . 6860 1 382 . 1 1 34 34 LEU HD21 H 1 0.560 0.05 . 2 . . . . 34 L QD2 . 6860 1 383 . 1 1 34 34 LEU HD22 H 1 0.560 0.05 . 2 . . . . 34 L QD2 . 6860 1 384 . 1 1 34 34 LEU HD23 H 1 0.560 0.05 . 2 . . . . 34 L QD2 . 6860 1 385 . 1 1 34 34 LEU C C 13 178.240 0.15 . 1 . . . . 34 L C . 6860 1 386 . 1 1 34 34 LEU CA C 13 57.453 0.15 . 1 . . . . 34 L CA . 6860 1 387 . 1 1 34 34 LEU CB C 13 41.828 0.15 . 1 . . . . 34 L CB . 6860 1 388 . 1 1 34 34 LEU CD1 C 13 22.050 0.15 . 1 . . . . 34 L CD1 . 6860 1 389 . 1 1 34 34 LEU CD2 C 13 25.941 0.15 . 1 . . . . 34 L CD2 . 6860 1 390 . 1 1 34 34 LEU N N 15 116.692 0.15 . 1 . . . . 34 L N . 6860 1 391 . 1 1 35 35 ASP H H 1 7.688 0.05 . 1 . . . . 35 D H . 6860 1 392 . 1 1 35 35 ASP HA H 1 4.302 0.05 . 1 . . . . 35 D HA . 6860 1 393 . 1 1 35 35 ASP HB2 H 1 2.560 0.05 . 2 . . . . 35 D HB2 . 6860 1 394 . 1 1 35 35 ASP HB3 H 1 2.732 0.05 . 2 . . . . 35 D HB3 . 6860 1 395 . 1 1 35 35 ASP C C 13 177.507 0.15 . 1 . . . . 35 D C . 6860 1 396 . 1 1 35 35 ASP CA C 13 58.196 0.15 . 1 . . . . 35 D CA . 6860 1 397 . 1 1 35 35 ASP CB C 13 43.070 0.15 . 1 . . . . 35 D CB . 6860 1 398 . 1 1 35 35 ASP N N 15 120.507 0.15 . 1 . . . . 35 D N . 6860 1 399 . 1 1 36 36 LEU H H 1 8.482 0.05 . 1 . . . . 36 L H . 6860 1 400 . 1 1 36 36 LEU HA H 1 3.328 0.05 . 1 . . . . 36 L HA . 6860 1 401 . 1 1 36 36 LEU HB2 H 1 -0.082 0.05 . 2 . . . . 36 L HB2 . 6860 1 402 . 1 1 36 36 LEU HB3 H 1 1.212 0.05 . 2 . . . . 36 L HB3 . 6860 1 403 . 1 1 36 36 LEU HG H 1 1.659 0.05 . 1 . . . . 36 L HG . 6860 1 404 . 1 1 36 36 LEU HD11 H 1 -0.195 0.05 . 2 . . . . 36 L QD1 . 6860 1 405 . 1 1 36 36 LEU HD12 H 1 -0.195 0.05 . 2 . . . . 36 L QD1 . 6860 1 406 . 1 1 36 36 LEU HD13 H 1 -0.195 0.05 . 2 . . . . 36 L QD1 . 6860 1 407 . 1 1 36 36 LEU HD21 H 1 -0.506 0.05 . 2 . . . . 36 L QD2 . 6860 1 408 . 1 1 36 36 LEU HD22 H 1 -0.506 0.05 . 2 . . . . 36 L QD2 . 6860 1 409 . 1 1 36 36 LEU HD23 H 1 -0.506 0.05 . 2 . . . . 36 L QD2 . 6860 1 410 . 1 1 36 36 LEU C C 13 176.774 0.15 . 1 . . . . 36 L C . 6860 1 411 . 1 1 36 36 LEU CA C 13 57.461 0.15 . 1 . . . . 36 L CA . 6860 1 412 . 1 1 36 36 LEU CB C 13 41.344 0.15 . 1 . . . . 36 L CB . 6860 1 413 . 1 1 36 36 LEU CG C 13 24.477 0.15 . 1 . . . . 36 L CG . 6860 1 414 . 1 1 36 36 LEU CD1 C 13 25.562 0.15 . 1 . . . . 36 L CD1 . 6860 1 415 . 1 1 36 36 LEU CD2 C 13 20.040 0.15 . 1 . . . . 36 L CD2 . 6860 1 416 . 1 1 36 36 LEU N N 15 117.671 0.15 . 1 . . . . 36 L N . 6860 1 417 . 1 1 37 37 MET H H 1 7.822 0.05 . 1 . . . . 37 M H . 6860 1 418 . 1 1 37 37 MET HA H 1 4.401 0.05 . 1 . . . . 37 M HA . 6860 1 419 . 1 1 37 37 MET HB2 H 1 1.837 0.05 . 2 . . . . 37 M HB2 . 6860 1 420 . 1 1 37 37 MET HB3 H 1 2.083 0.05 . 2 . . . . 37 M HB3 . 6860 1 421 . 1 1 37 37 MET HG2 H 1 1.555 0.05 . 1 . . . . 37 M HG2 . 6860 1 422 . 1 1 37 37 MET HE1 H 1 1.997 0.05 . 1 . . . . 37 M QE . 6860 1 423 . 1 1 37 37 MET HE2 H 1 1.997 0.05 . 1 . . . . 37 M QE . 6860 1 424 . 1 1 37 37 MET HE3 H 1 1.997 0.05 . 1 . . . . 37 M QE . 6860 1 425 . 1 1 37 37 MET C C 13 177.862 0.15 . 1 . . . . 37 M C . 6860 1 426 . 1 1 37 37 MET CA C 13 56.434 0.15 . 1 . . . . 37 M CA . 6860 1 427 . 1 1 37 37 MET CB C 13 31.573 0.15 . 1 . . . . 37 M CB . 6860 1 428 . 1 1 37 37 MET CG C 13 31.253 0.15 . 1 . . . . 37 M CG . 6860 1 429 . 1 1 37 37 MET CE C 13 16.177 0.15 . 1 . . . . 37 M CE . 6860 1 430 . 1 1 37 37 MET N N 15 112.952 0.15 . 1 . . . . 37 M N . 6860 1 431 . 1 1 38 38 GLU H H 1 8.667 0.05 . 1 . . . . 38 E H . 6860 1 432 . 1 1 38 38 GLU HA H 1 4.457 0.05 . 1 . . . . 38 E HA . 6860 1 433 . 1 1 38 38 GLU HB2 H 1 2.123 0.05 . 1 . . . . 38 E HB2 . 6860 1 434 . 1 1 38 38 GLU HG2 H 1 2.333 0.05 . 2 . . . . 38 E HG2 . 6860 1 435 . 1 1 38 38 GLU HG3 H 1 2.185 0.05 . 2 . . . . 38 E HG3 . 6860 1 436 . 1 1 38 38 GLU C C 13 176.582 0.15 . 1 . . . . 38 E C . 6860 1 437 . 1 1 38 38 GLU CA C 13 57.659 0.15 . 1 . . . . 38 E CA . 6860 1 438 . 1 1 38 38 GLU CB C 13 29.936 0.15 . 1 . . . . 38 E CB . 6860 1 439 . 1 1 38 38 GLU CG C 13 36.336 0.15 . 1 . . . . 38 E CG . 6860 1 440 . 1 1 38 38 GLU N N 15 116.463 0.15 . 1 . . . . 38 E N . 6860 1 441 . 1 1 39 39 SER H H 1 7.657 0.05 . 1 . . . . 39 S H . 6860 1 442 . 1 1 39 39 SER HA H 1 4.658 0.05 . 1 . . . . 39 S HA . 6860 1 443 . 1 1 39 39 SER HB2 H 1 4.143 0.05 . 1 . . . . 39 S QB . 6860 1 444 . 1 1 39 39 SER HB3 H 1 4.143 0.05 . 1 . . . . 39 S QB . 6860 1 445 . 1 1 39 39 SER C C 13 175.661 0.15 . 1 . . . . 39 S C . 6860 1 446 . 1 1 39 39 SER CA C 13 60.449 0.15 . 1 . . . . 39 S CA . 6860 1 447 . 1 1 39 39 SER CB C 13 63.341 0.15 . 1 . . . . 39 S CB . 6860 1 448 . 1 1 39 39 SER N N 15 113.870 0.15 . 1 . . . . 39 S N . 6860 1 449 . 1 1 40 40 LYS H H 1 8.165 0.05 . 1 . . . . 40 K H . 6860 1 450 . 1 1 40 40 LYS HA H 1 4.454 0.05 . 1 . . . . 40 K HA . 6860 1 451 . 1 1 40 40 LYS HB2 H 1 2.040 0.05 . 2 . . . . 40 K HB2 . 6860 1 452 . 1 1 40 40 LYS HB3 H 1 2.250 0.05 . 2 . . . . 40 K HB3 . 6860 1 453 . 1 1 40 40 LYS HG2 H 1 1.259 0.05 . 2 . . . . 40 K HG2 . 6860 1 454 . 1 1 40 40 LYS HG3 H 1 1.308 0.05 . 2 . . . . 40 K HG3 . 6860 1 455 . 1 1 40 40 LYS HD2 H 1 1.452 0.05 . 1 . . . . 40 K HD2 . 6860 1 456 . 1 1 40 40 LYS HE2 H 1 2.933 0.05 . 2 . . . . 40 K HE2 . 6860 1 457 . 1 1 40 40 LYS HE3 H 1 2.850 0.05 . 2 . . . . 40 K HE3 . 6860 1 458 . 1 1 40 40 LYS C C 13 174.970 0.15 . 1 . . . . 40 K C . 6860 1 459 . 1 1 40 40 LYS CA C 13 55.753 0.15 . 1 . . . . 40 K CA . 6860 1 460 . 1 1 40 40 LYS CB C 13 32.337 0.15 . 1 . . . . 40 K CB . 6860 1 461 . 1 1 40 40 LYS CG C 13 25.079 0.15 . 1 . . . . 40 K CG . 6860 1 462 . 1 1 40 40 LYS CD C 13 27.925 0.15 . 1 . . . . 40 K CD . 6860 1 463 . 1 1 40 40 LYS CE C 13 42.513 0.15 . 1 . . . . 40 K CE . 6860 1 464 . 1 1 40 40 LYS N N 15 116.671 0.15 . 1 . . . . 40 K N . 6860 1 465 . 1 1 41 41 SER H H 1 7.017 0.05 . 1 . . . . 41 S H . 6860 1 466 . 1 1 41 41 SER HA H 1 4.209 0.05 . 1 . . . . 41 S HA . 6860 1 467 . 1 1 41 41 SER HB2 H 1 4.128 0.05 . 2 . . . . 41 S HB2 . 6860 1 468 . 1 1 41 41 SER HB3 H 1 3.930 0.05 . 2 . . . . 41 S HB3 . 6860 1 469 . 1 1 41 41 SER C C 13 173.770 0.15 . 1 . . . . 41 S C . 6860 1 470 . 1 1 41 41 SER CA C 13 58.435 0.15 . 1 . . . . 41 S CA . 6860 1 471 . 1 1 41 41 SER CB C 13 61.700 0.15 . 1 . . . . 41 S CB . 6860 1 472 . 1 1 41 41 SER N N 15 109.989 0.15 . 1 . . . . 41 S N . 6860 1 473 . 1 1 42 42 TRP H H 1 8.876 0.05 . 1 . . . . 42 W H . 6860 1 474 . 1 1 42 42 TRP HA H 1 4.698 0.05 . 1 . . . . 42 W HA . 6860 1 475 . 1 1 42 42 TRP HB2 H 1 2.533 0.05 . 2 . . . . 42 W HB2 . 6860 1 476 . 1 1 42 42 TRP HB3 H 1 3.101 0.05 . 2 . . . . 42 W HB3 . 6860 1 477 . 1 1 42 42 TRP HE1 H 1 10.062 0.05 . 1 . . . . 42 W HE1 . 6860 1 478 . 1 1 42 42 TRP C C 13 174.477 0.15 . 1 . . . . 42 W C . 6860 1 479 . 1 1 42 42 TRP CA C 13 59.443 0.15 . 1 . . . . 42 W CA . 6860 1 480 . 1 1 42 42 TRP CB C 13 28.203 0.15 . 1 . . . . 42 W CB . 6860 1 481 . 1 1 42 42 TRP N N 15 121.116 0.15 . 1 . . . . 42 W N . 6860 1 482 . 1 1 42 42 TRP NE1 N 15 129.356 0.15 . 1 . . . . 42 W NE1 . 6860 1 483 . 1 1 43 43 HIS H H 1 8.132 0.05 . 1 . . . . 43 H H . 6860 1 484 . 1 1 43 43 HIS HA H 1 4.445 0.05 . 1 . . . . 43 H HA . 6860 1 485 . 1 1 43 43 HIS HB2 H 1 3.085 0.05 . 2 . . . . 43 H HB2 . 6860 1 486 . 1 1 43 43 HIS HB3 H 1 2.948 0.05 . 2 . . . . 43 H HB3 . 6860 1 487 . 1 1 43 43 HIS HE1 H 1 7.219 0.05 . 1 . . . . 43 H HE1 . 6860 1 488 . 1 1 43 43 HIS C C 13 174.405 0.15 . 1 . . . . 43 H C . 6860 1 489 . 1 1 43 43 HIS CA C 13 58.556 0.15 . 1 . . . . 43 H CA . 6860 1 490 . 1 1 43 43 HIS CB C 13 29.430 0.15 . 1 . . . . 43 H CB . 6860 1 491 . 1 1 43 43 HIS N N 15 119.397 0.15 . 1 . . . . 43 H N . 6860 1 492 . 1 1 44 44 GLU H H 1 8.140 0.05 . 1 . . . . 44 E H . 6860 1 493 . 1 1 44 44 GLU HA H 1 4.432 0.05 . 1 . . . . 44 E HA . 6860 1 494 . 1 1 44 44 GLU HB2 H 1 1.925 0.05 . 1 . . . . 44 E HB2 . 6860 1 495 . 1 1 44 44 GLU HG2 H 1 2.159 0.05 . 2 . . . . 44 E HG2 . 6860 1 496 . 1 1 44 44 GLU HG3 H 1 2.205 0.05 . 2 . . . . 44 E HG3 . 6860 1 497 . 1 1 44 44 GLU C C 13 173.010 0.15 . 1 . . . . 44 E C . 6860 1 498 . 1 1 44 44 GLU CA C 13 56.421 0.15 . 1 . . . . 44 E CA . 6860 1 499 . 1 1 44 44 GLU CB C 13 33.285 0.15 . 1 . . . . 44 E CB . 6860 1 500 . 1 1 44 44 GLU CG C 13 36.441 0.15 . 1 . . . . 44 E CG . 6860 1 501 . 1 1 44 44 GLU N N 15 116.181 0.15 . 1 . . . . 44 E N . 6860 1 502 . 1 1 45 45 VAL H H 1 8.428 0.05 . 1 . . . . 45 V H . 6860 1 503 . 1 1 45 45 VAL HA H 1 4.492 0.05 . 1 . . . . 45 V HA . 6860 1 504 . 1 1 45 45 VAL HB H 1 2.029 0.05 . 1 . . . . 45 V HB . 6860 1 505 . 1 1 45 45 VAL HG11 H 1 0.829 0.05 . 1 . . . . 45 V QG1 . 6860 1 506 . 1 1 45 45 VAL HG12 H 1 0.829 0.05 . 1 . . . . 45 V QG1 . 6860 1 507 . 1 1 45 45 VAL HG13 H 1 0.829 0.05 . 1 . . . . 45 V QG1 . 6860 1 508 . 1 1 45 45 VAL HG21 H 1 0.798 0.05 . 1 . . . . 45 V QG2 . 6860 1 509 . 1 1 45 45 VAL HG22 H 1 0.798 0.05 . 1 . . . . 45 V QG2 . 6860 1 510 . 1 1 45 45 VAL HG23 H 1 0.798 0.05 . 1 . . . . 45 V QG2 . 6860 1 511 . 1 1 45 45 VAL C C 13 172.339 0.15 . 1 . . . . 45 V C . 6860 1 512 . 1 1 45 45 VAL CA C 13 63.071 0.15 . 1 . . . . 45 V CA . 6860 1 513 . 1 1 45 45 VAL CB C 13 35.145 0.15 . 1 . . . . 45 V CB . 6860 1 514 . 1 1 45 45 VAL CG1 C 13 23.823 0.15 . 2 . . . . 45 V CG1 . 6860 1 515 . 1 1 45 45 VAL CG2 C 13 23.458 0.15 . 2 . . . . 45 V CG2 . 6860 1 516 . 1 1 45 45 VAL N N 15 123.272 0.15 . 1 . . . . 45 V N . 6860 1 517 . 1 1 46 46 ASN H H 1 9.050 0.05 . 1 . . . . 46 N H . 6860 1 518 . 1 1 46 46 ASN HA H 1 5.261 0.05 . 1 . . . . 46 N HA . 6860 1 519 . 1 1 46 46 ASN HB2 H 1 2.775 0.05 . 1 . . . . 46 N QB . 6860 1 520 . 1 1 46 46 ASN HB3 H 1 2.775 0.05 . 1 . . . . 46 N QB . 6860 1 521 . 1 1 46 46 ASN HD21 H 1 7.738 0.05 . 2 . . . . 46 N HD21 . 6860 1 522 . 1 1 46 46 ASN HD22 H 1 7.336 0.05 . 2 . . . . 46 N HD22 . 6860 1 523 . 1 1 46 46 ASN C C 13 172.845 0.15 . 1 . . . . 46 N C . 6860 1 524 . 1 1 46 46 ASN CA C 13 51.895 0.15 . 1 . . . . 46 N CA . 6860 1 525 . 1 1 46 46 ASN CB C 13 42.322 0.15 . 1 . . . . 46 N CB . 6860 1 526 . 1 1 46 46 ASN N N 15 123.901 0.15 . 1 . . . . 46 N N . 6860 1 527 . 1 1 46 46 ASN ND2 N 15 115.360 0.15 . 1 . . . . 46 N ND2 . 6860 1 528 . 1 1 47 47 CYS H H 1 9.039 0.05 . 1 . . . . 47 C H . 6860 1 529 . 1 1 47 47 CYS HA H 1 5.160 0.05 . 1 . . . . 47 C HA . 6860 1 530 . 1 1 47 47 CYS HB2 H 1 2.484 0.05 . 1 . . . . 47 C HB2 . 6860 1 531 . 1 1 47 47 CYS HB3 H 1 2.826 0.05 . 1 . . . . 47 C HB3 . 6860 1 532 . 1 1 47 47 CYS C C 13 172.454 0.15 . 1 . . . . 47 C C . 6860 1 533 . 1 1 47 47 CYS CA C 13 56.473 0.15 . 1 . . . . 47 C CA . 6860 1 534 . 1 1 47 47 CYS CB C 13 29.297 0.15 . 1 . . . . 47 C CB . 6860 1 535 . 1 1 47 47 CYS N N 15 119.663 0.15 . 1 . . . . 47 C N . 6860 1 536 . 1 1 48 48 VAL H H 1 9.083 0.05 . 1 . . . . 48 V H . 6860 1 537 . 1 1 48 48 VAL HA H 1 4.344 0.05 . 1 . . . . 48 V HA . 6860 1 538 . 1 1 48 48 VAL HB H 1 1.949 0.05 . 1 . . . . 48 V HB . 6860 1 539 . 1 1 48 48 VAL HG11 H 1 0.862 0.05 . 1 . . . . 48 V QG1 . 6860 1 540 . 1 1 48 48 VAL HG12 H 1 0.862 0.05 . 1 . . . . 48 V QG1 . 6860 1 541 . 1 1 48 48 VAL HG13 H 1 0.862 0.05 . 1 . . . . 48 V QG1 . 6860 1 542 . 1 1 48 48 VAL C C 13 173.307 0.15 . 1 . . . . 48 V C . 6860 1 543 . 1 1 48 48 VAL CA C 13 61.368 0.15 . 1 . . . . 48 V CA . 6860 1 544 . 1 1 48 48 VAL CB C 13 35.345 0.15 . 1 . . . . 48 V CB . 6860 1 545 . 1 1 48 48 VAL CG1 C 13 21.066 0.15 . 1 . . . . 48 V CG1 . 6860 1 546 . 1 1 48 48 VAL N N 15 124.672 0.15 . 1 . . . . 48 V N . 6860 1 547 . 1 1 49 49 GLY H H 1 9.019 0.05 . 1 . . . . 49 G H . 6860 1 548 . 1 1 49 49 GLY HA2 H 1 3.460 0.05 . 2 . . . . 49 G HA2 . 6860 1 549 . 1 1 49 49 GLY HA3 H 1 4.539 0.05 . 2 . . . . 49 G HA3 . 6860 1 550 . 1 1 49 49 GLY C C 13 171.278 0.15 . 1 . . . . 49 G C . 6860 1 551 . 1 1 49 49 GLY CA C 13 45.075 0.15 . 1 . . . . 49 G CA . 6860 1 552 . 1 1 49 49 GLY N N 15 113.131 0.15 . 1 . . . . 49 G N . 6860 1 553 . 1 1 50 50 LEU H H 1 8.747 0.05 . 1 . . . . 50 L H . 6860 1 554 . 1 1 50 50 LEU HA H 1 5.102 0.05 . 1 . . . . 50 L HA . 6860 1 555 . 1 1 50 50 LEU HB2 H 1 1.881 0.05 . 2 . . . . 50 L HB2 . 6860 1 556 . 1 1 50 50 LEU HB3 H 1 1.442 0.05 . 2 . . . . 50 L HB3 . 6860 1 557 . 1 1 50 50 LEU HG H 1 1.553 0.05 . 1 . . . . 50 L HG . 6860 1 558 . 1 1 50 50 LEU HD11 H 1 0.886 0.05 . 2 . . . . 50 L QD1 . 6860 1 559 . 1 1 50 50 LEU HD12 H 1 0.886 0.05 . 2 . . . . 50 L QD1 . 6860 1 560 . 1 1 50 50 LEU HD13 H 1 0.886 0.05 . 2 . . . . 50 L QD1 . 6860 1 561 . 1 1 50 50 LEU HD21 H 1 0.802 0.05 . 2 . . . . 50 L QD2 . 6860 1 562 . 1 1 50 50 LEU HD22 H 1 0.802 0.05 . 2 . . . . 50 L QD2 . 6860 1 563 . 1 1 50 50 LEU HD23 H 1 0.802 0.05 . 2 . . . . 50 L QD2 . 6860 1 564 . 1 1 50 50 LEU CA C 13 51.417 0.15 . 1 . . . . 50 L CA . 6860 1 565 . 1 1 50 50 LEU CB C 13 41.754 0.15 . 1 . . . . 50 L CB . 6860 1 566 . 1 1 50 50 LEU CG C 13 26.741 0.15 . 1 . . . . 50 L CG . 6860 1 567 . 1 1 50 50 LEU CD1 C 13 23.898 0.15 . 2 . . . . 50 L CD1 . 6860 1 568 . 1 1 50 50 LEU CD2 C 13 26.553 0.15 . 2 . . . . 50 L CD2 . 6860 1 569 . 1 1 50 50 LEU N N 15 124.471 0.15 . 1 . . . . 50 L N . 6860 1 570 . 1 1 51 51 PRO HA H 1 4.106 0.05 . 1 . . . . 51 P HA . 6860 1 571 . 1 1 51 51 PRO HB2 H 1 2.074 0.05 . 2 . . . . 51 P HB2 . 6860 1 572 . 1 1 51 51 PRO HB3 H 1 2.398 0.05 . 2 . . . . 51 P HB3 . 6860 1 573 . 1 1 51 51 PRO HG2 H 1 2.167 0.05 . 2 . . . . 51 P HG2 . 6860 1 574 . 1 1 51 51 PRO HG3 H 1 2.068 0.05 . 2 . . . . 51 P HG3 . 6860 1 575 . 1 1 51 51 PRO HD2 H 1 3.682 0.05 . 2 . . . . 51 P HD2 . 6860 1 576 . 1 1 51 51 PRO HD3 H 1 4.045 0.05 . 2 . . . . 51 P HD3 . 6860 1 577 . 1 1 51 51 PRO C C 13 178.422 0.15 . 1 . . . . 51 P C . 6860 1 578 . 1 1 51 51 PRO CA C 13 65.680 0.15 . 1 . . . . 51 P CA . 6860 1 579 . 1 1 51 51 PRO CB C 13 31.939 0.15 . 1 . . . . 51 P CB . 6860 1 580 . 1 1 51 51 PRO CG C 13 27.542 0.15 . 1 . . . . 51 P CG . 6860 1 581 . 1 1 51 51 PRO CD C 13 51.342 0.15 . 1 . . . . 51 P CD . 6860 1 582 . 1 1 52 52 GLU H H 1 9.721 0.05 . 1 . . . . 52 E H . 6860 1 583 . 1 1 52 52 GLU HA H 1 4.176 0.05 . 1 . . . . 52 E HA . 6860 1 584 . 1 1 52 52 GLU HB2 H 1 2.049 0.05 . 2 . . . . 52 E HB2 . 6860 1 585 . 1 1 52 52 GLU HB3 H 1 2.067 0.05 . 2 . . . . 52 E HB3 . 6860 1 586 . 1 1 52 52 GLU HG2 H 1 2.295 0.05 . 2 . . . . 52 E HG2 . 6860 1 587 . 1 1 52 52 GLU HG3 H 1 2.380 0.05 . 2 . . . . 52 E HG3 . 6860 1 588 . 1 1 52 52 GLU C C 13 176.146 0.15 . 1 . . . . 52 E C . 6860 1 589 . 1 1 52 52 GLU CA C 13 59.158 0.15 . 1 . . . . 52 E CA . 6860 1 590 . 1 1 52 52 GLU CB C 13 28.442 0.15 . 1 . . . . 52 E CB . 6860 1 591 . 1 1 52 52 GLU CG C 13 36.410 0.15 . 1 . . . . 52 E CG . 6860 1 592 . 1 1 52 52 GLU N N 15 118.552 0.15 . 1 . . . . 52 E N . 6860 1 593 . 1 1 53 53 LEU H H 1 7.089 0.05 . 1 . . . . 53 L H . 6860 1 594 . 1 1 53 53 LEU HA H 1 4.511 0.05 . 1 . . . . 53 L HA . 6860 1 595 . 1 1 53 53 LEU HB2 H 1 1.562 0.05 . 2 . . . . 53 L HB2 . 6860 1 596 . 1 1 53 53 LEU HB3 H 1 1.455 0.05 . 2 . . . . 53 L HB3 . 6860 1 597 . 1 1 53 53 LEU HD11 H 1 0.783 0.05 . 2 . . . . 53 L QD1 . 6860 1 598 . 1 1 53 53 LEU HD12 H 1 0.783 0.05 . 2 . . . . 53 L QD1 . 6860 1 599 . 1 1 53 53 LEU HD13 H 1 0.783 0.05 . 2 . . . . 53 L QD1 . 6860 1 600 . 1 1 53 53 LEU HD21 H 1 0.762 0.05 . 2 . . . . 53 L QD2 . 6860 1 601 . 1 1 53 53 LEU HD22 H 1 0.762 0.05 . 2 . . . . 53 L QD2 . 6860 1 602 . 1 1 53 53 LEU HD23 H 1 0.762 0.05 . 2 . . . . 53 L QD2 . 6860 1 603 . 1 1 53 53 LEU C C 13 174.027 0.15 . 1 . . . . 53 L C . 6860 1 604 . 1 1 53 53 LEU CA C 13 53.825 0.15 . 1 . . . . 53 L CA . 6860 1 605 . 1 1 53 53 LEU CB C 13 43.825 0.15 . 1 . . . . 53 L CB . 6860 1 606 . 1 1 53 53 LEU CD1 C 13 23.253 0.15 . 2 . . . . 53 L CD1 . 6860 1 607 . 1 1 53 53 LEU CD2 C 13 25.928 0.15 . 2 . . . . 53 L CD2 . 6860 1 608 . 1 1 53 53 LEU N N 15 116.763 0.15 . 1 . . . . 53 L N . 6860 1 609 . 1 1 54 54 GLN H H 1 7.964 0.05 . 1 . . . . 54 Q H . 6860 1 610 . 1 1 54 54 GLN HA H 1 3.591 0.05 . 1 . . . . 54 Q HA . 6860 1 611 . 1 1 54 54 GLN HB2 H 1 2.253 0.05 . 1 . . . . 54 Q HB2 . 6860 1 612 . 1 1 54 54 GLN HG2 H 1 2.338 0.05 . 2 . . . . 54 Q HG2 . 6860 1 613 . 1 1 54 54 GLN HG3 H 1 2.419 0.05 . 2 . . . . 54 Q HG3 . 6860 1 614 . 1 1 54 54 GLN HE21 H 1 6.984 0.05 . 2 . . . . 54 Q HE21 . 6860 1 615 . 1 1 54 54 GLN HE22 H 1 7.708 0.05 . 2 . . . . 54 Q HE22 . 6860 1 616 . 1 1 54 54 GLN C C 13 172.604 0.15 . 1 . . . . 54 Q C . 6860 1 617 . 1 1 54 54 GLN CA C 13 56.961 0.15 . 1 . . . . 54 Q CA . 6860 1 618 . 1 1 54 54 GLN CB C 13 26.545 0.15 . 1 . . . . 54 Q CB . 6860 1 619 . 1 1 54 54 GLN CG C 13 34.331 0.15 . 1 . . . . 54 Q CG . 6860 1 620 . 1 1 54 54 GLN N N 15 115.489 0.15 . 1 . . . . 54 Q N . 6860 1 621 . 1 1 54 54 GLN NE2 N 15 113.633 0.15 . 1 . . . . 54 Q NE2 . 6860 1 622 . 1 1 55 55 LEU H H 1 7.139 0.05 . 1 . . . . 55 L H . 6860 1 623 . 1 1 55 55 LEU HA H 1 4.750 0.05 . 1 . . . . 55 L HA . 6860 1 624 . 1 1 55 55 LEU HB2 H 1 1.308 0.05 . 2 . . . . 55 L HB2 . 6860 1 625 . 1 1 55 55 LEU HB3 H 1 1.503 0.05 . 2 . . . . 55 L HB3 . 6860 1 626 . 1 1 55 55 LEU HD21 H 1 0.794 0.05 . 1 . . . . 55 L QD2 . 6860 1 627 . 1 1 55 55 LEU HD22 H 1 0.794 0.05 . 1 . . . . 55 L QD2 . 6860 1 628 . 1 1 55 55 LEU HD23 H 1 0.794 0.05 . 1 . . . . 55 L QD2 . 6860 1 629 . 1 1 55 55 LEU C C 13 173.475 0.15 . 1 . . . . 55 L C . 6860 1 630 . 1 1 55 55 LEU CA C 13 53.698 0.15 . 1 . . . . 55 L CA . 6860 1 631 . 1 1 55 55 LEU CB C 13 47.859 0.15 . 1 . . . . 55 L CB . 6860 1 632 . 1 1 55 55 LEU CD2 C 13 25.261 0.15 . 1 . . . . 55 L CD2 . 6860 1 633 . 1 1 55 55 LEU N N 15 116.422 0.15 . 1 . . . . 55 L N . 6860 1 634 . 1 1 56 56 ILE H H 1 8.223 0.05 . 1 . . . . 56 I H . 6860 1 635 . 1 1 56 56 ILE HA H 1 4.540 0.05 . 1 . . . . 56 I HA . 6860 1 636 . 1 1 56 56 ILE HB H 1 1.597 0.05 . 1 . . . . 56 I HB . 6860 1 637 . 1 1 56 56 ILE HG21 H 1 0.715 0.05 . 1 . . . . 56 I QG2 . 6860 1 638 . 1 1 56 56 ILE HG22 H 1 0.715 0.05 . 1 . . . . 56 I QG2 . 6860 1 639 . 1 1 56 56 ILE HG23 H 1 0.715 0.05 . 1 . . . . 56 I QG2 . 6860 1 640 . 1 1 56 56 ILE HD11 H 1 0.826 0.05 . 1 . . . . 56 I QD1 . 6860 1 641 . 1 1 56 56 ILE HD12 H 1 0.826 0.05 . 1 . . . . 56 I QD1 . 6860 1 642 . 1 1 56 56 ILE HD13 H 1 0.826 0.05 . 1 . . . . 56 I QD1 . 6860 1 643 . 1 1 56 56 ILE C C 13 173.938 0.15 . 1 . . . . 56 I C . 6860 1 644 . 1 1 56 56 ILE CA C 13 61.020 0.15 . 1 . . . . 56 I CA . 6860 1 645 . 1 1 56 56 ILE CB C 13 39.403 0.15 . 1 . . . . 56 I CB . 6860 1 646 . 1 1 56 56 ILE CG2 C 13 17.116 0.15 . 1 . . . . 56 I CG2 . 6860 1 647 . 1 1 56 56 ILE CD1 C 13 14.511 0.15 . 1 . . . . 56 I CD1 . 6860 1 648 . 1 1 56 56 ILE N N 15 122.792 0.15 . 1 . . . . 56 I N . 6860 1 649 . 1 1 57 57 CYS H H 1 8.995 0.05 . 1 . . . . 57 C H . 6860 1 650 . 1 1 57 57 CYS HA H 1 5.036 0.05 . 1 . . . . 57 C HA . 6860 1 651 . 1 1 57 57 CYS HB2 H 1 2.634 0.05 . 2 . . . . 57 C HB2 . 6860 1 652 . 1 1 57 57 CYS HB3 H 1 2.781 0.05 . 2 . . . . 57 C HB3 . 6860 1 653 . 1 1 57 57 CYS C C 13 170.483 0.15 . 1 . . . . 57 C C . 6860 1 654 . 1 1 57 57 CYS CA C 13 56.484 0.15 . 1 . . . . 57 C CA . 6860 1 655 . 1 1 57 57 CYS CB C 13 30.545 0.15 . 1 . . . . 57 C CB . 6860 1 656 . 1 1 57 57 CYS N N 15 121.575 0.15 . 1 . . . . 57 C N . 6860 1 657 . 1 1 58 58 LEU H H 1 9.076 0.05 . 1 . . . . 58 L H . 6860 1 658 . 1 1 58 58 LEU HA H 1 5.472 0.05 . 1 . . . . 58 L HA . 6860 1 659 . 1 1 58 58 LEU HB2 H 1 1.730 0.05 . 2 . . . . 58 L HB2 . 6860 1 660 . 1 1 58 58 LEU HB3 H 1 1.297 0.05 . 2 . . . . 58 L HB3 . 6860 1 661 . 1 1 58 58 LEU HG H 1 1.576 0.05 . 1 . . . . 58 L HG . 6860 1 662 . 1 1 58 58 LEU HD11 H 1 0.871 0.05 . 1 . . . . 58 L QD1 . 6860 1 663 . 1 1 58 58 LEU HD12 H 1 0.871 0.05 . 1 . . . . 58 L QD1 . 6860 1 664 . 1 1 58 58 LEU HD13 H 1 0.871 0.05 . 1 . . . . 58 L QD1 . 6860 1 665 . 1 1 58 58 LEU HD21 H 1 0.864 0.05 . 1 . . . . 58 L QD2 . 6860 1 666 . 1 1 58 58 LEU HD22 H 1 0.864 0.05 . 1 . . . . 58 L QD2 . 6860 1 667 . 1 1 58 58 LEU HD23 H 1 0.864 0.05 . 1 . . . . 58 L QD2 . 6860 1 668 . 1 1 58 58 LEU C C 13 174.009 0.15 . 1 . . . . 58 L C . 6860 1 669 . 1 1 58 58 LEU CA C 13 52.851 0.15 . 1 . . . . 58 L CA . 6860 1 670 . 1 1 58 58 LEU CB C 13 42.177 0.15 . 1 . . . . 58 L CB . 6860 1 671 . 1 1 58 58 LEU CG C 13 27.891 0.15 . 1 . . . . 58 L CG . 6860 1 672 . 1 1 58 58 LEU CD1 C 13 24.321 0.15 . 2 . . . . 58 L CD1 . 6860 1 673 . 1 1 58 58 LEU CD2 C 13 25.793 0.15 . 2 . . . . 58 L CD2 . 6860 1 674 . 1 1 58 58 LEU N N 15 121.895 0.15 . 1 . . . . 58 L N . 6860 1 675 . 1 1 59 59 VAL H H 1 8.966 0.05 . 1 . . . . 59 V H . 6860 1 676 . 1 1 59 59 VAL HA H 1 5.488 0.05 . 1 . . . . 59 V HA . 6860 1 677 . 1 1 59 59 VAL HB H 1 1.985 0.05 . 1 . . . . 59 V HB . 6860 1 678 . 1 1 59 59 VAL HG11 H 1 1.007 0.05 . 1 . . . . 59 V QG1 . 6860 1 679 . 1 1 59 59 VAL HG12 H 1 1.007 0.05 . 1 . . . . 59 V QG1 . 6860 1 680 . 1 1 59 59 VAL HG13 H 1 1.007 0.05 . 1 . . . . 59 V QG1 . 6860 1 681 . 1 1 59 59 VAL C C 13 176.034 0.15 . 1 . . . . 59 V C . 6860 1 682 . 1 1 59 59 VAL CA C 13 59.820 0.15 . 1 . . . . 59 V CA . 6860 1 683 . 1 1 59 59 VAL CB C 13 34.786 0.15 . 1 . . . . 59 V CB . 6860 1 684 . 1 1 59 59 VAL CG1 C 13 21.873 0.15 . 1 . . . . 59 V CG1 . 6860 1 685 . 1 1 59 59 VAL N N 15 121.702 0.15 . 1 . . . . 59 V N . 6860 1 686 . 1 1 60 60 GLY H H 1 9.258 0.05 . 1 . . . . 60 G H . 6860 1 687 . 1 1 60 60 GLY HA2 H 1 4.673 0.05 . 2 . . . . 60 G HA2 . 6860 1 688 . 1 1 60 60 GLY HA3 H 1 4.804 0.05 . 2 . . . . 60 G HA3 . 6860 1 689 . 1 1 60 60 GLY C C 13 169.831 0.15 . 1 . . . . 60 G C . 6860 1 690 . 1 1 60 60 GLY CA C 13 46.399 0.15 . 1 . . . . 60 G CA . 6860 1 691 . 1 1 60 60 GLY N N 15 114.126 0.15 . 1 . . . . 60 G N . 6860 1 692 . 1 1 61 61 THR H H 1 8.834 0.05 . 1 . . . . 61 T H . 6860 1 693 . 1 1 61 61 THR HA H 1 4.418 0.05 . 1 . . . . 61 T HA . 6860 1 694 . 1 1 61 61 THR HB H 1 3.924 0.05 . 1 . . . . 61 T HB . 6860 1 695 . 1 1 61 61 THR HG21 H 1 1.082 0.05 . 1 . . . . 61 T QG2 . 6860 1 696 . 1 1 61 61 THR HG22 H 1 1.082 0.05 . 1 . . . . 61 T QG2 . 6860 1 697 . 1 1 61 61 THR HG23 H 1 1.082 0.05 . 1 . . . . 61 T QG2 . 6860 1 698 . 1 1 61 61 THR C C 13 171.985 0.15 . 1 . . . . 61 T C . 6860 1 699 . 1 1 61 61 THR CA C 13 60.634 0.15 . 1 . . . . 61 T CA . 6860 1 700 . 1 1 61 61 THR CB C 13 70.983 0.15 . 1 . . . . 61 T CB . 6860 1 701 . 1 1 61 61 THR CG2 C 13 21.972 0.15 . 1 . . . . 61 T CG2 . 6860 1 702 . 1 1 61 61 THR N N 15 114.856 0.15 . 1 . . . . 61 T N . 6860 1 703 . 1 1 62 62 GLU H H 1 8.502 0.05 . 1 . . . . 62 E H . 6860 1 704 . 1 1 62 62 GLU HA H 1 2.867 0.05 . 1 . . . . 62 E HA . 6860 1 705 . 1 1 62 62 GLU HB2 H 1 0.103 0.05 . 2 . . . . 62 E HB2 . 6860 1 706 . 1 1 62 62 GLU HB3 H 1 1.367 0.05 . 2 . . . . 62 E HB3 . 6860 1 707 . 1 1 62 62 GLU HG2 H 1 1.047 0.05 . 2 . . . . 62 E HG2 . 6860 1 708 . 1 1 62 62 GLU HG3 H 1 1.500 0.05 . 2 . . . . 62 E HG3 . 6860 1 709 . 1 1 62 62 GLU C C 13 174.650 0.15 . 1 . . . . 62 E C . 6860 1 710 . 1 1 62 62 GLU CA C 13 58.785 0.15 . 1 . . . . 62 E CA . 6860 1 711 . 1 1 62 62 GLU CB C 13 28.981 0.15 . 1 . . . . 62 E CB . 6860 1 712 . 1 1 62 62 GLU CG C 13 34.495 0.15 . 1 . . . . 62 E CG . 6860 1 713 . 1 1 62 62 GLU N N 15 129.915 0.15 . 1 . . . . 62 E N . 6860 1 714 . 1 1 63 63 ILE H H 1 6.928 0.05 . 1 . . . . 63 I H . 6860 1 715 . 1 1 63 63 ILE HA H 1 4.038 0.05 . 1 . . . . 63 I HA . 6860 1 716 . 1 1 63 63 ILE HB H 1 1.425 0.05 . 1 . . . . 63 I HB . 6860 1 717 . 1 1 63 63 ILE HG12 H 1 0.926 0.05 . 2 . . . . 63 I HG12 . 6860 1 718 . 1 1 63 63 ILE HG13 H 1 1.191 0.05 . 2 . . . . 63 I HG13 . 6860 1 719 . 1 1 63 63 ILE HG21 H 1 0.841 0.05 . 1 . . . . 63 I QG2 . 6860 1 720 . 1 1 63 63 ILE HG22 H 1 0.841 0.05 . 1 . . . . 63 I QG2 . 6860 1 721 . 1 1 63 63 ILE HG23 H 1 0.841 0.05 . 1 . . . . 63 I QG2 . 6860 1 722 . 1 1 63 63 ILE HD11 H 1 0.719 0.05 . 1 . . . . 63 I QD1 . 6860 1 723 . 1 1 63 63 ILE HD12 H 1 0.719 0.05 . 1 . . . . 63 I QD1 . 6860 1 724 . 1 1 63 63 ILE HD13 H 1 0.719 0.05 . 1 . . . . 63 I QD1 . 6860 1 725 . 1 1 63 63 ILE C C 13 173.482 0.15 . 1 . . . . 63 I C . 6860 1 726 . 1 1 63 63 ILE CA C 13 58.664 0.15 . 1 . . . . 63 I CA . 6860 1 727 . 1 1 63 63 ILE CB C 13 40.009 0.15 . 1 . . . . 63 I CB . 6860 1 728 . 1 1 63 63 ILE CG1 C 13 27.003 0.15 . 1 . . . . 63 I CG1 . 6860 1 729 . 1 1 63 63 ILE CG2 C 13 16.843 0.15 . 1 . . . . 63 I CG2 . 6860 1 730 . 1 1 63 63 ILE CD1 C 13 11.921 0.15 . 1 . . . . 63 I CD1 . 6860 1 731 . 1 1 63 63 ILE N N 15 117.075 0.15 . 1 . . . . 63 I N . 6860 1 732 . 1 1 64 64 GLU H H 1 8.585 0.05 . 1 . . . . 64 E H . 6860 1 733 . 1 1 64 64 GLU HA H 1 3.427 0.05 . 1 . . . . 64 E HA . 6860 1 734 . 1 1 64 64 GLU HB2 H 1 1.047 0.05 . 2 . . . . 64 E HB2 . 6860 1 735 . 1 1 64 64 GLU HB3 H 1 1.614 0.05 . 2 . . . . 64 E HB3 . 6860 1 736 . 1 1 64 64 GLU HG2 H 1 1.917 0.05 . 2 . . . . 64 E HG2 . 6860 1 737 . 1 1 64 64 GLU HG3 H 1 1.777 0.05 . 2 . . . . 64 E HG3 . 6860 1 738 . 1 1 64 64 GLU C C 13 175.186 0.15 . 1 . . . . 64 E C . 6860 1 739 . 1 1 64 64 GLU CA C 13 58.703 0.15 . 1 . . . . 64 E CA . 6860 1 740 . 1 1 64 64 GLU CB C 13 28.999 0.15 . 1 . . . . 64 E CB . 6860 1 741 . 1 1 64 64 GLU CG C 13 35.419 0.15 . 1 . . . . 64 E CG . 6860 1 742 . 1 1 64 64 GLU N N 15 126.422 0.15 . 1 . . . . 64 E N . 6860 1 743 . 1 1 65 65 GLY H H 1 8.754 0.05 . 1 . . . . 65 G H . 6860 1 744 . 1 1 65 65 GLY HA2 H 1 3.631 0.05 . 2 . . . . 65 G HA2 . 6860 1 745 . 1 1 65 65 GLY HA3 H 1 4.287 0.05 . 2 . . . . 65 G HA3 . 6860 1 746 . 1 1 65 65 GLY C C 13 174.005 0.15 . 1 . . . . 65 G C . 6860 1 747 . 1 1 65 65 GLY CA C 13 44.954 0.15 . 1 . . . . 65 G CA . 6860 1 748 . 1 1 65 65 GLY N N 15 114.614 0.15 . 1 . . . . 65 G N . 6860 1 749 . 1 1 66 66 GLU H H 1 7.760 0.05 . 1 . . . . 66 E H . 6860 1 750 . 1 1 66 66 GLU HA H 1 4.462 0.05 . 1 . . . . 66 E HA . 6860 1 751 . 1 1 66 66 GLU HB2 H 1 2.148 0.05 . 1 . . . . 66 E HB2 . 6860 1 752 . 1 1 66 66 GLU HG2 H 1 2.135 0.05 . 2 . . . . 66 E HG2 . 6860 1 753 . 1 1 66 66 GLU HG3 H 1 2.224 0.05 . 2 . . . . 66 E HG3 . 6860 1 754 . 1 1 66 66 GLU C C 13 175.255 0.15 . 1 . . . . 66 E C . 6860 1 755 . 1 1 66 66 GLU CA C 13 55.582 0.15 . 1 . . . . 66 E CA . 6860 1 756 . 1 1 66 66 GLU CB C 13 30.654 0.15 . 1 . . . . 66 E CB . 6860 1 757 . 1 1 66 66 GLU CG C 13 36.621 0.15 . 1 . . . . 66 E CG . 6860 1 758 . 1 1 66 66 GLU N N 15 119.292 0.15 . 1 . . . . 66 E N . 6860 1 759 . 1 1 67 67 GLY H H 1 8.262 0.05 . 1 . . . . 67 G H . 6860 1 760 . 1 1 67 67 GLY HA2 H 1 3.875 0.05 . 2 . . . . 67 G HA2 . 6860 1 761 . 1 1 67 67 GLY HA3 H 1 4.088 0.05 . 2 . . . . 67 G HA3 . 6860 1 762 . 1 1 67 67 GLY C C 13 172.197 0.15 . 1 . . . . 67 G C . 6860 1 763 . 1 1 67 67 GLY CA C 13 44.845 0.15 . 1 . . . . 67 G CA . 6860 1 764 . 1 1 67 67 GLY N N 15 106.161 0.15 . 1 . . . . 67 G N . 6860 1 765 . 1 1 68 68 LEU H H 1 8.142 0.05 . 1 . . . . 68 L H . 6860 1 766 . 1 1 68 68 LEU HA H 1 4.491 0.05 . 1 . . . . 68 L HA . 6860 1 767 . 1 1 68 68 LEU HB2 H 1 1.318 0.05 . 2 . . . . 68 L HB2 . 6860 1 768 . 1 1 68 68 LEU HB3 H 1 1.677 0.05 . 2 . . . . 68 L HB3 . 6860 1 769 . 1 1 68 68 LEU HD11 H 1 0.834 0.05 . 2 . . . . 68 L QD1 . 6860 1 770 . 1 1 68 68 LEU HD12 H 1 0.834 0.05 . 2 . . . . 68 L QD1 . 6860 1 771 . 1 1 68 68 LEU HD13 H 1 0.834 0.05 . 2 . . . . 68 L QD1 . 6860 1 772 . 1 1 68 68 LEU HD21 H 1 0.899 0.05 . 2 . . . . 68 L QD2 . 6860 1 773 . 1 1 68 68 LEU HD22 H 1 0.899 0.05 . 2 . . . . 68 L QD2 . 6860 1 774 . 1 1 68 68 LEU HD23 H 1 0.899 0.05 . 2 . . . . 68 L QD2 . 6860 1 775 . 1 1 68 68 LEU C C 13 176.194 0.15 . 1 . . . . 68 L C . 6860 1 776 . 1 1 68 68 LEU CA C 13 55.123 0.15 . 1 . . . . 68 L CA . 6860 1 777 . 1 1 68 68 LEU CB C 13 44.527 0.15 . 1 . . . . 68 L CB . 6860 1 778 . 1 1 68 68 LEU CD1 C 13 23.599 0.15 . 2 . . . . 68 L CD1 . 6860 1 779 . 1 1 68 68 LEU CD2 C 13 25.448 0.15 . 2 . . . . 68 L CD2 . 6860 1 780 . 1 1 68 68 LEU N N 15 120.269 0.15 . 1 . . . . 68 L N . 6860 1 781 . 1 1 69 69 GLN H H 1 9.253 0.05 . 1 . . . . 69 Q H . 6860 1 782 . 1 1 69 69 GLN HA H 1 4.770 0.05 . 1 . . . . 69 Q HA . 6860 1 783 . 1 1 69 69 GLN HB2 H 1 2.035 0.05 . 1 . . . . 69 Q HB2 . 6860 1 784 . 1 1 69 69 GLN HG2 H 1 2.658 0.05 . 2 . . . . 69 Q HG2 . 6860 1 785 . 1 1 69 69 GLN HG3 H 1 2.297 0.05 . 2 . . . . 69 Q HG3 . 6860 1 786 . 1 1 69 69 GLN HE21 H 1 7.478 0.05 . 2 . . . . 69 Q HE21 . 6860 1 787 . 1 1 69 69 GLN HE22 H 1 6.825 0.05 . 2 . . . . 69 Q HE22 . 6860 1 788 . 1 1 69 69 GLN C C 13 173.607 0.15 . 1 . . . . 69 Q C . 6860 1 789 . 1 1 69 69 GLN CA C 13 54.736 0.15 . 1 . . . . 69 Q CA . 6860 1 790 . 1 1 69 69 GLN CB C 13 33.782 0.15 . 1 . . . . 69 Q CB . 6860 1 791 . 1 1 69 69 GLN CG C 13 34.742 0.15 . 1 . . . . 69 Q CG . 6860 1 792 . 1 1 69 69 GLN N N 15 119.336 0.15 . 1 . . . . 69 Q N . 6860 1 793 . 1 1 69 69 GLN NE2 N 15 114.767 0.15 . 1 . . . . 69 Q NE2 . 6860 1 794 . 1 1 70 70 THR H H 1 8.803 0.05 . 1 . . . . 70 T H . 6860 1 795 . 1 1 70 70 THR HA H 1 5.033 0.05 . 1 . . . . 70 T HA . 6860 1 796 . 1 1 70 70 THR HB H 1 4.134 0.05 . 1 . . . . 70 T HB . 6860 1 797 . 1 1 70 70 THR HG21 H 1 1.065 0.05 . 1 . . . . 70 T QG2 . 6860 1 798 . 1 1 70 70 THR HG22 H 1 1.065 0.05 . 1 . . . . 70 T QG2 . 6860 1 799 . 1 1 70 70 THR HG23 H 1 1.065 0.05 . 1 . . . . 70 T QG2 . 6860 1 800 . 1 1 70 70 THR C C 13 172.596 0.15 . 1 . . . . 70 T C . 6860 1 801 . 1 1 70 70 THR CA C 13 62.768 0.15 . 1 . . . . 70 T CA . 6860 1 802 . 1 1 70 70 THR CB C 13 69.990 0.15 . 1 . . . . 70 T CB . 6860 1 803 . 1 1 70 70 THR CG2 C 13 21.989 0.15 . 1 . . . . 70 T CG2 . 6860 1 804 . 1 1 70 70 THR N N 15 118.372 0.15 . 1 . . . . 70 T N . 6860 1 805 . 1 1 71 71 VAL H H 1 9.882 0.05 . 1 . . . . 71 V H . 6860 1 806 . 1 1 71 71 VAL HA H 1 5.239 0.05 . 1 . . . . 71 V HA . 6860 1 807 . 1 1 71 71 VAL HB H 1 2.005 0.05 . 1 . . . . 71 V HB . 6860 1 808 . 1 1 71 71 VAL HG11 H 1 0.875 0.05 . 1 . . . . 71 V QG1 . 6860 1 809 . 1 1 71 71 VAL HG12 H 1 0.875 0.05 . 1 . . . . 71 V QG1 . 6860 1 810 . 1 1 71 71 VAL HG13 H 1 0.875 0.05 . 1 . . . . 71 V QG1 . 6860 1 811 . 1 1 71 71 VAL C C 13 174.015 0.15 . 1 . . . . 71 V C . 6860 1 812 . 1 1 71 71 VAL CA C 13 60.577 0.15 . 1 . . . . 71 V CA . 6860 1 813 . 1 1 71 71 VAL CB C 13 34.149 0.15 . 1 . . . . 71 V CB . 6860 1 814 . 1 1 71 71 VAL CG1 C 13 22.406 0.15 . 1 . . . . 71 V CG1 . 6860 1 815 . 1 1 71 71 VAL N N 15 129.063 0.15 . 1 . . . . 71 V N . 6860 1 816 . 1 1 72 72 VAL H H 1 9.491 0.05 . 1 . . . . 72 V H . 6860 1 817 . 1 1 72 72 VAL HA H 1 4.672 0.05 . 1 . . . . 72 V HA . 6860 1 818 . 1 1 72 72 VAL HB H 1 2.141 0.05 . 1 . . . . 72 V HB . 6860 1 819 . 1 1 72 72 VAL HG11 H 1 0.845 0.05 . 1 . . . . 72 V QG1 . 6860 1 820 . 1 1 72 72 VAL HG12 H 1 0.845 0.05 . 1 . . . . 72 V QG1 . 6860 1 821 . 1 1 72 72 VAL HG13 H 1 0.845 0.05 . 1 . . . . 72 V QG1 . 6860 1 822 . 1 1 72 72 VAL HG21 H 1 0.644 0.05 . 1 . . . . 72 V QG2 . 6860 1 823 . 1 1 72 72 VAL HG22 H 1 0.644 0.05 . 1 . . . . 72 V QG2 . 6860 1 824 . 1 1 72 72 VAL HG23 H 1 0.644 0.05 . 1 . . . . 72 V QG2 . 6860 1 825 . 1 1 72 72 VAL CA C 13 59.568 0.15 . 1 . . . . 72 V CA . 6860 1 826 . 1 1 72 72 VAL CB C 13 34.057 0.15 . 1 . . . . 72 V CB . 6860 1 827 . 1 1 72 72 VAL CG1 C 13 20.668 0.15 . 2 . . . . 72 V CG1 . 6860 1 828 . 1 1 72 72 VAL CG2 C 13 22.095 0.15 . 2 . . . . 72 V CG2 . 6860 1 829 . 1 1 72 72 VAL N N 15 128.521 0.15 . 1 . . . . 72 V N . 6860 1 830 . 1 1 73 73 PRO HA H 1 5.368 0.05 . 1 . . . . 73 P HA . 6860 1 831 . 1 1 73 73 PRO HB2 H 1 2.050 0.05 . 1 . . . . 73 P HB2 . 6860 1 832 . 1 1 73 73 PRO HB3 H 1 1.932 0.05 . 1 . . . . 73 P HB3 . 6860 1 833 . 1 1 73 73 PRO HG2 H 1 1.624 0.05 . 1 . . . . 73 P HG2 . 6860 1 834 . 1 1 73 73 PRO HD2 H 1 4.058 0.05 . 1 . . . . 73 P HD2 . 6860 1 835 . 1 1 73 73 PRO HD3 H 1 4.273 0.05 . 1 . . . . 73 P HD3 . 6860 1 836 . 1 1 73 73 PRO C C 13 175.079 0.15 . 1 . . . . 73 P C . 6860 1 837 . 1 1 73 73 PRO CA C 13 61.324 0.15 . 1 . . . . 73 P CA . 6860 1 838 . 1 1 73 73 PRO CB C 13 33.089 0.15 . 1 . . . . 73 P CB . 6860 1 839 . 1 1 73 73 PRO CG C 13 27.962 0.15 . 1 . . . . 73 P CG . 6860 1 840 . 1 1 73 73 PRO CD C 13 51.339 0.15 . 1 . . . . 73 P CD . 6860 1 841 . 1 1 74 74 THR H H 1 9.103 0.05 . 1 . . . . 74 T H . 6860 1 842 . 1 1 74 74 THR HA H 1 5.191 0.05 . 1 . . . . 74 T HA . 6860 1 843 . 1 1 74 74 THR HB H 1 4.031 0.05 . 1 . . . . 74 T HB . 6860 1 844 . 1 1 74 74 THR HG21 H 1 1.063 0.05 . 1 . . . . 74 T QG2 . 6860 1 845 . 1 1 74 74 THR HG22 H 1 1.063 0.05 . 1 . . . . 74 T QG2 . 6860 1 846 . 1 1 74 74 THR HG23 H 1 1.063 0.05 . 1 . . . . 74 T QG2 . 6860 1 847 . 1 1 74 74 THR CA C 13 57.986 0.15 . 1 . . . . 74 T CA . 6860 1 848 . 1 1 74 74 THR CB C 13 72.212 0.15 . 1 . . . . 74 T CB . 6860 1 849 . 1 1 74 74 THR CG2 C 13 20.486 0.15 . 1 . . . . 74 T CG2 . 6860 1 850 . 1 1 74 74 THR N N 15 118.075 0.15 . 1 . . . . 74 T N . 6860 1 851 . 1 1 75 75 PRO HA H 1 5.015 0.05 . 1 . . . . 75 P HA . 6860 1 852 . 1 1 75 75 PRO HB2 H 1 2.524 0.05 . 1 . . . . 75 P HB2 . 6860 1 853 . 1 1 75 75 PRO HB3 H 1 2.130 0.05 . 1 . . . . 75 P HB3 . 6860 1 854 . 1 1 75 75 PRO HG2 H 1 2.077 0.05 . 1 . . . . 75 P HG2 . 6860 1 855 . 1 1 75 75 PRO HG3 H 1 2.246 0.05 . 1 . . . . 75 P HG3 . 6860 1 856 . 1 1 75 75 PRO HD2 H 1 3.863 0.05 . 1 . . . . 75 P HD2 . 6860 1 857 . 1 1 75 75 PRO HD3 H 1 4.123 0.05 . 1 . . . . 75 P HD3 . 6860 1 858 . 1 1 75 75 PRO C C 13 178.704 0.15 . 1 . . . . 75 P C . 6860 1 859 . 1 1 75 75 PRO CA C 13 63.038 0.15 . 1 . . . . 75 P CA . 6860 1 860 . 1 1 75 75 PRO CB C 13 32.529 0.15 . 1 . . . . 75 P CB . 6860 1 861 . 1 1 75 75 PRO CG C 13 27.687 0.15 . 1 . . . . 75 P CG . 6860 1 862 . 1 1 75 75 PRO CD C 13 51.397 0.15 . 1 . . . . 75 P CD . 6860 1 863 . 1 1 76 76 ILE H H 1 8.221 0.05 . 1 . . . . 76 I H . 6860 1 864 . 1 1 76 76 ILE HA H 1 4.218 0.05 . 1 . . . . 76 I HA . 6860 1 865 . 1 1 76 76 ILE HB H 1 1.690 0.05 . 1 . . . . 76 I HB . 6860 1 866 . 1 1 76 76 ILE HG12 H 1 1.711 0.05 . 1 . . . . 76 I HG12 . 6860 1 867 . 1 1 76 76 ILE HG21 H 1 1.242 0.05 . 1 . . . . 76 I QG2 . 6860 1 868 . 1 1 76 76 ILE HG22 H 1 1.242 0.05 . 1 . . . . 76 I QG2 . 6860 1 869 . 1 1 76 76 ILE HG23 H 1 1.242 0.05 . 1 . . . . 76 I QG2 . 6860 1 870 . 1 1 76 76 ILE HD11 H 1 1.126 0.05 . 1 . . . . 76 I QD1 . 6860 1 871 . 1 1 76 76 ILE HD12 H 1 1.126 0.05 . 1 . . . . 76 I QD1 . 6860 1 872 . 1 1 76 76 ILE HD13 H 1 1.126 0.05 . 1 . . . . 76 I QD1 . 6860 1 873 . 1 1 76 76 ILE C C 13 172.375 0.15 . 1 . . . . 76 I C . 6860 1 874 . 1 1 76 76 ILE CA C 13 63.509 0.15 . 1 . . . . 76 I CA . 6860 1 875 . 1 1 76 76 ILE CB C 13 39.322 0.15 . 1 . . . . 76 I CB . 6860 1 876 . 1 1 76 76 ILE CG1 C 13 29.924 0.15 . 1 . . . . 76 I CG1 . 6860 1 877 . 1 1 76 76 ILE CG2 C 13 17.177 0.15 . 1 . . . . 76 I CG2 . 6860 1 878 . 1 1 76 76 ILE CD1 C 13 16.033 0.15 . 1 . . . . 76 I CD1 . 6860 1 879 . 1 1 76 76 ILE N N 15 122.273 0.15 . 1 . . . . 76 I N . 6860 1 880 . 1 1 77 77 THR H H 1 6.984 0.05 . 1 . . . . 77 T H . 6860 1 881 . 1 1 77 77 THR HA H 1 4.227 0.05 . 1 . . . . 77 T HA . 6860 1 882 . 1 1 77 77 THR HB H 1 4.544 0.05 . 1 . . . . 77 T HB . 6860 1 883 . 1 1 77 77 THR HG21 H 1 1.346 0.05 . 1 . . . . 77 T QG2 . 6860 1 884 . 1 1 77 77 THR HG22 H 1 1.346 0.05 . 1 . . . . 77 T QG2 . 6860 1 885 . 1 1 77 77 THR HG23 H 1 1.346 0.05 . 1 . . . . 77 T QG2 . 6860 1 886 . 1 1 77 77 THR C C 13 173.531 0.15 . 1 . . . . 77 T C . 6860 1 887 . 1 1 77 77 THR CA C 13 61.435 0.15 . 1 . . . . 77 T CA . 6860 1 888 . 1 1 77 77 THR CB C 13 68.944 0.15 . 1 . . . . 77 T CB . 6860 1 889 . 1 1 77 77 THR CG2 C 13 22.678 0.15 . 1 . . . . 77 T CG2 . 6860 1 890 . 1 1 77 77 THR N N 15 105.803 0.15 . 1 . . . . 77 T N . 6860 1 891 . 1 1 78 78 ALA H H 1 7.647 0.05 . 1 . . . . 78 A H . 6860 1 892 . 1 1 78 78 ALA HA H 1 4.757 0.05 . 1 . . . . 78 A HA . 6860 1 893 . 1 1 78 78 ALA HB1 H 1 1.554 0.05 . 1 . . . . 78 A QB . 6860 1 894 . 1 1 78 78 ALA HB2 H 1 1.554 0.05 . 1 . . . . 78 A QB . 6860 1 895 . 1 1 78 78 ALA HB3 H 1 1.554 0.05 . 1 . . . . 78 A QB . 6860 1 896 . 1 1 78 78 ALA C C 13 173.520 0.15 . 1 . . . . 78 A C . 6860 1 897 . 1 1 78 78 ALA CA C 13 51.164 0.15 . 1 . . . . 78 A CA . 6860 1 898 . 1 1 78 78 ALA CB C 13 20.011 0.15 . 1 . . . . 78 A CB . 6860 1 899 . 1 1 78 78 ALA N N 15 126.635 0.15 . 1 . . . . 78 A N . 6860 1 900 . 1 1 79 79 SER H H 1 7.884 0.05 . 1 . . . . 79 S H . 6860 1 901 . 1 1 79 79 SER HA H 1 4.386 0.05 . 1 . . . . 79 S HA . 6860 1 902 . 1 1 79 79 SER HB2 H 1 3.614 0.05 . 1 . . . . 79 S HB2 . 6860 1 903 . 1 1 79 79 SER C C 13 176.077 0.15 . 1 . . . . 79 S C . 6860 1 904 . 1 1 79 79 SER CA C 13 57.465 0.15 . 1 . . . . 79 S CA . 6860 1 905 . 1 1 79 79 SER CB C 13 65.285 0.15 . 1 . . . . 79 S CB . 6860 1 906 . 1 1 79 79 SER N N 15 115.272 0.15 . 1 . . . . 79 S N . 6860 1 907 . 1 1 80 80 LEU H H 1 7.700 0.05 . 1 . . . . 80 L H . 6860 1 908 . 1 1 80 80 LEU HA H 1 4.912 0.05 . 1 . . . . 80 L HA . 6860 1 909 . 1 1 80 80 LEU HB2 H 1 1.799 0.05 . 1 . . . . 80 L HB2 . 6860 1 910 . 1 1 80 80 LEU HB3 H 1 2.083 0.05 . 1 . . . . 80 L HB3 . 6860 1 911 . 1 1 80 80 LEU HG H 1 1.926 0.05 . 1 . . . . 80 L HG . 6860 1 912 . 1 1 80 80 LEU HD11 H 1 1.044 0.05 . 1 . . . . 80 L QD1 . 6860 1 913 . 1 1 80 80 LEU HD12 H 1 1.044 0.05 . 1 . . . . 80 L QD1 . 6860 1 914 . 1 1 80 80 LEU HD13 H 1 1.044 0.05 . 1 . . . . 80 L QD1 . 6860 1 915 . 1 1 80 80 LEU C C 13 173.927 0.15 . 1 . . . . 80 L C . 6860 1 916 . 1 1 80 80 LEU CA C 13 53.829 0.15 . 1 . . . . 80 L CA . 6860 1 917 . 1 1 80 80 LEU CB C 13 45.990 0.15 . 1 . . . . 80 L CB . 6860 1 918 . 1 1 80 80 LEU CG C 13 26.394 0.15 . 1 . . . . 80 L CG . 6860 1 919 . 1 1 80 80 LEU CD1 C 13 24.429 0.15 . 1 . . . . 80 L CD1 . 6860 1 920 . 1 1 80 80 LEU N N 15 121.507 0.15 . 1 . . . . 80 L N . 6860 1 921 . 1 1 81 81 SER H H 1 7.885 0.05 . 1 . . . . 81 S H . 6860 1 922 . 1 1 81 81 SER HA H 1 5.269 0.05 . 1 . . . . 81 S HA . 6860 1 923 . 1 1 81 81 SER HB2 H 1 4.215 0.05 . 2 . . . . 81 S HB2 . 6860 1 924 . 1 1 81 81 SER HB3 H 1 3.733 0.05 . 2 . . . . 81 S HB3 . 6860 1 925 . 1 1 81 81 SER C C 13 175.756 0.15 . 1 . . . . 81 S C . 6860 1 926 . 1 1 81 81 SER CA C 13 55.507 0.15 . 1 . . . . 81 S CA . 6860 1 927 . 1 1 81 81 SER CB C 13 65.966 0.15 . 1 . . . . 81 S CB . 6860 1 928 . 1 1 81 81 SER N N 15 118.323 0.15 . 1 . . . . 81 S N . 6860 1 929 . 1 1 82 82 HIS H H 1 8.935 0.05 . 1 . . . . 82 H H . 6860 1 930 . 1 1 82 82 HIS HA H 1 4.407 0.05 . 1 . . . . 82 H HA . 6860 1 931 . 1 1 82 82 HIS HB2 H 1 3.296 0.05 . 1 . . . . 82 H HB2 . 6860 1 932 . 1 1 82 82 HIS C C 13 176.550 0.15 . 1 . . . . 82 H C . 6860 1 933 . 1 1 82 82 HIS CA C 13 60.960 0.15 . 1 . . . . 82 H CA . 6860 1 934 . 1 1 82 82 HIS CB C 13 30.755 0.15 . 1 . . . . 82 H CB . 6860 1 935 . 1 1 82 82 HIS N N 15 124.042 0.15 . 1 . . . . 82 H N . 6860 1 936 . 1 1 83 83 ASN H H 1 8.435 0.05 . 1 . . . . 83 N H . 6860 1 937 . 1 1 83 83 ASN HA H 1 4.439 0.05 . 1 . . . . 83 N HA . 6860 1 938 . 1 1 83 83 ASN HB2 H 1 2.764 0.05 . 1 . . . . 83 N HB2 . 6860 1 939 . 1 1 83 83 ASN HD21 H 1 7.750 0.05 . 2 . . . . 83 N HD21 . 6860 1 940 . 1 1 83 83 ASN HD22 H 1 7.063 0.05 . 2 . . . . 83 N HD22 . 6860 1 941 . 1 1 83 83 ASN C C 13 174.769 0.15 . 1 . . . . 83 N C . 6860 1 942 . 1 1 83 83 ASN CA C 13 56.575 0.15 . 1 . . . . 83 N CA . 6860 1 943 . 1 1 83 83 ASN CB C 13 38.731 0.15 . 1 . . . . 83 N CB . 6860 1 944 . 1 1 83 83 ASN N N 15 118.543 0.15 . 1 . . . . 83 N N . 6860 1 945 . 1 1 83 83 ASN ND2 N 15 114.922 0.15 . 1 . . . . 83 N ND2 . 6860 1 946 . 1 1 84 84 ARG H H 1 7.716 0.05 . 1 . . . . 84 R H . 6860 1 947 . 1 1 84 84 ARG HA H 1 4.183 0.05 . 1 . . . . 84 R HA . 6860 1 948 . 1 1 84 84 ARG HB2 H 1 1.993 0.05 . 2 . . . . 84 R HB2 . 6860 1 949 . 1 1 84 84 ARG HB3 H 1 2.090 0.05 . 2 . . . . 84 R HB3 . 6860 1 950 . 1 1 84 84 ARG HG2 H 1 0.796 0.05 . 1 . . . . 84 R HG2 . 6860 1 951 . 1 1 84 84 ARG HD2 H 1 3.337 0.05 . 1 . . . . 84 R HD2 . 6860 1 952 . 1 1 84 84 ARG HE H 1 7.412 0.05 . 1 . . . . 84 R HE . 6860 1 953 . 1 1 84 84 ARG C C 13 177.399 0.15 . 1 . . . . 84 R C . 6860 1 954 . 1 1 84 84 ARG CA C 13 59.045 0.15 . 1 . . . . 84 R CA . 6860 1 955 . 1 1 84 84 ARG CB C 13 29.992 0.15 . 1 . . . . 84 R CB . 6860 1 956 . 1 1 84 84 ARG CD C 13 43.503 0.15 . 1 . . . . 84 R CD . 6860 1 957 . 1 1 84 84 ARG N N 15 121.312 0.15 . 1 . . . . 84 R N . 6860 1 958 . 1 1 85 85 ILE H H 1 8.354 0.05 . 1 . . . . 85 I H . 6860 1 959 . 1 1 85 85 ILE HA H 1 3.650 0.05 . 1 . . . . 85 I HA . 6860 1 960 . 1 1 85 85 ILE HB H 1 2.239 0.05 . 1 . . . . 85 I HB . 6860 1 961 . 1 1 85 85 ILE HG21 H 1 1.076 0.05 . 1 . . . . 85 I QG2 . 6860 1 962 . 1 1 85 85 ILE HG22 H 1 1.076 0.05 . 1 . . . . 85 I QG2 . 6860 1 963 . 1 1 85 85 ILE HG23 H 1 1.076 0.05 . 1 . . . . 85 I QG2 . 6860 1 964 . 1 1 85 85 ILE HD11 H 1 1.074 0.05 . 1 . . . . 85 I QD1 . 6860 1 965 . 1 1 85 85 ILE HD12 H 1 1.074 0.05 . 1 . . . . 85 I QD1 . 6860 1 966 . 1 1 85 85 ILE HD13 H 1 1.074 0.05 . 1 . . . . 85 I QD1 . 6860 1 967 . 1 1 85 85 ILE C C 13 176.098 0.15 . 1 . . . . 85 I C . 6860 1 968 . 1 1 85 85 ILE CA C 13 66.704 0.15 . 1 . . . . 85 I CA . 6860 1 969 . 1 1 85 85 ILE CB C 13 38.017 0.15 . 1 . . . . 85 I CB . 6860 1 970 . 1 1 85 85 ILE CG2 C 13 17.287 0.15 . 1 . . . . 85 I CG2 . 6860 1 971 . 1 1 85 85 ILE CD1 C 13 14.589 0.15 . 1 . . . . 85 I CD1 . 6860 1 972 . 1 1 85 85 ILE N N 15 119.321 0.15 . 1 . . . . 85 I N . 6860 1 973 . 1 1 86 86 ARG H H 1 7.690 0.05 . 1 . . . . 86 R H . 6860 1 974 . 1 1 86 86 ARG HA H 1 3.704 0.05 . 1 . . . . 86 R HA . 6860 1 975 . 1 1 86 86 ARG HB2 H 1 2.047 0.05 . 2 . . . . 86 R HB2 . 6860 1 976 . 1 1 86 86 ARG HB3 H 1 1.663 0.05 . 2 . . . . 86 R HB3 . 6860 1 977 . 1 1 86 86 ARG HG2 H 1 1.313 0.05 . 2 . . . . 86 R HG2 . 6860 1 978 . 1 1 86 86 ARG HG3 H 1 1.482 0.05 . 2 . . . . 86 R HG3 . 6860 1 979 . 1 1 86 86 ARG HD2 H 1 3.155 0.05 . 1 . . . . 86 R HD2 . 6860 1 980 . 1 1 86 86 ARG HE H 1 7.735 0.05 . 1 . . . . 86 R HE . 6860 1 981 . 1 1 86 86 ARG C C 13 177.524 0.15 . 1 . . . . 86 R C . 6860 1 982 . 1 1 86 86 ARG CA C 13 59.881 0.15 . 1 . . . . 86 R CA . 6860 1 983 . 1 1 86 86 ARG CB C 13 29.248 0.15 . 1 . . . . 86 R CB . 6860 1 984 . 1 1 86 86 ARG CG C 13 26.829 0.15 . 1 . . . . 86 R CG . 6860 1 985 . 1 1 86 86 ARG CD C 13 43.018 0.15 . 1 . . . . 86 R CD . 6860 1 986 . 1 1 86 86 ARG N N 15 118.362 0.15 . 1 . . . . 86 R N . 6860 1 987 . 1 1 87 87 GLU H H 1 7.884 0.05 . 1 . . . . 87 E H . 6860 1 988 . 1 1 87 87 GLU HA H 1 4.064 0.05 . 1 . . . . 87 E HA . 6860 1 989 . 1 1 87 87 GLU HB2 H 1 2.143 0.05 . 2 . . . . 87 E HB2 . 6860 1 990 . 1 1 87 87 GLU HB3 H 1 2.187 0.05 . 2 . . . . 87 E HB3 . 6860 1 991 . 1 1 87 87 GLU HG2 H 1 2.435 0.05 . 2 . . . . 87 E HG2 . 6860 1 992 . 1 1 87 87 GLU HG3 H 1 2.374 0.05 . 2 . . . . 87 E HG3 . 6860 1 993 . 1 1 87 87 GLU C C 13 178.785 0.15 . 1 . . . . 87 E C . 6860 1 994 . 1 1 87 87 GLU CA C 13 58.999 0.15 . 1 . . . . 87 E CA . 6860 1 995 . 1 1 87 87 GLU CB C 13 29.872 0.15 . 1 . . . . 87 E CB . 6860 1 996 . 1 1 87 87 GLU CG C 13 35.986 0.15 . 1 . . . . 87 E CG . 6860 1 997 . 1 1 87 87 GLU N N 15 118.124 0.15 . 1 . . . . 87 E N . 6860 1 998 . 1 1 88 88 ILE H H 1 8.715 0.05 . 1 . . . . 88 I H . 6860 1 999 . 1 1 88 88 ILE HA H 1 3.305 0.05 . 1 . . . . 88 I HA . 6860 1 1000 . 1 1 88 88 ILE HB H 1 1.474 0.05 . 1 . . . . 88 I HB . 6860 1 1001 . 1 1 88 88 ILE HG12 H 1 0.399 0.05 . 1 . . . . 88 I HG12 . 6860 1 1002 . 1 1 88 88 ILE HG13 H 1 1.841 0.05 . 1 . . . . 88 I HG13 . 6860 1 1003 . 1 1 88 88 ILE HG21 H 1 -0.201 0.05 . 1 . . . . 88 I QG2 . 6860 1 1004 . 1 1 88 88 ILE HG22 H 1 -0.201 0.05 . 1 . . . . 88 I QG2 . 6860 1 1005 . 1 1 88 88 ILE HG23 H 1 -0.201 0.05 . 1 . . . . 88 I QG2 . 6860 1 1006 . 1 1 88 88 ILE HD11 H 1 0.579 0.05 . 1 . . . . 88 I QD1 . 6860 1 1007 . 1 1 88 88 ILE HD12 H 1 0.579 0.05 . 1 . . . . 88 I QD1 . 6860 1 1008 . 1 1 88 88 ILE HD13 H 1 0.579 0.05 . 1 . . . . 88 I QD1 . 6860 1 1009 . 1 1 88 88 ILE C C 13 177.261 0.15 . 1 . . . . 88 I C . 6860 1 1010 . 1 1 88 88 ILE CA C 13 65.822 0.15 . 1 . . . . 88 I CA . 6860 1 1011 . 1 1 88 88 ILE CB C 13 37.370 0.15 . 1 . . . . 88 I CB . 6860 1 1012 . 1 1 88 88 ILE CG1 C 13 29.584 0.15 . 1 . . . . 88 I CG1 . 6860 1 1013 . 1 1 88 88 ILE CG2 C 13 17.060 0.15 . 1 . . . . 88 I CG2 . 6860 1 1014 . 1 1 88 88 ILE CD1 C 13 14.260 0.15 . 1 . . . . 88 I CD1 . 6860 1 1015 . 1 1 88 88 ILE N N 15 122.929 0.15 . 1 . . . . 88 I N . 6860 1 1016 . 1 1 89 89 LEU H H 1 8.486 0.05 . 1 . . . . 89 L H . 6860 1 1017 . 1 1 89 89 LEU HA H 1 3.932 0.05 . 1 . . . . 89 L HA . 6860 1 1018 . 1 1 89 89 LEU HB2 H 1 2.065 0.05 . 1 . . . . 89 L HB2 . 6860 1 1019 . 1 1 89 89 LEU HB3 H 1 1.626 0.05 . 1 . . . . 89 L HB3 . 6860 1 1020 . 1 1 89 89 LEU HD11 H 1 0.884 0.05 . 1 . . . . 89 L QD1 . 6860 1 1021 . 1 1 89 89 LEU HD12 H 1 0.884 0.05 . 1 . . . . 89 L QD1 . 6860 1 1022 . 1 1 89 89 LEU HD13 H 1 0.884 0.05 . 1 . . . . 89 L QD1 . 6860 1 1023 . 1 1 89 89 LEU C C 13 177.919 0.15 . 1 . . . . 89 L C . 6860 1 1024 . 1 1 89 89 LEU CA C 13 59.060 0.15 . 1 . . . . 89 L CA . 6860 1 1025 . 1 1 89 89 LEU CB C 13 41.129 0.15 . 1 . . . . 89 L CB . 6860 1 1026 . 1 1 89 89 LEU CD1 C 13 26.299 0.15 . 2 . . . . 89 L CD1 . 6860 1 1027 . 1 1 89 89 LEU CD2 C 13 26.083 0.15 . 2 . . . . 89 L CD2 . 6860 1 1028 . 1 1 89 89 LEU N N 15 122.696 0.15 . 1 . . . . 89 L N . 6860 1 1029 . 1 1 90 90 LYS H H 1 7.790 0.05 . 1 . . . . 90 K H . 6860 1 1030 . 1 1 90 90 LYS HA H 1 4.061 0.05 . 1 . . . . 90 K HA . 6860 1 1031 . 1 1 90 90 LYS HB2 H 1 1.917 0.05 . 1 . . . . 90 K HB2 . 6860 1 1032 . 1 1 90 90 LYS HG2 H 1 1.440 0.05 . 2 . . . . 90 K HG2 . 6860 1 1033 . 1 1 90 90 LYS HG3 H 1 1.641 0.05 . 2 . . . . 90 K HG3 . 6860 1 1034 . 1 1 90 90 LYS HE2 H 1 2.960 0.05 . 1 . . . . 90 K HE2 . 6860 1 1035 . 1 1 90 90 LYS C C 13 178.432 0.15 . 1 . . . . 90 K C . 6860 1 1036 . 1 1 90 90 LYS CA C 13 59.840 0.15 . 1 . . . . 90 K CA . 6860 1 1037 . 1 1 90 90 LYS CB C 13 32.582 0.15 . 1 . . . . 90 K CB . 6860 1 1038 . 1 1 90 90 LYS CG C 13 25.119 0.15 . 1 . . . . 90 K CG . 6860 1 1039 . 1 1 90 90 LYS N N 15 118.640 0.15 . 1 . . . . 90 K N . 6860 1 1040 . 1 1 91 91 ALA H H 1 8.113 0.05 . 1 . . . . 91 A H . 6860 1 1041 . 1 1 91 91 ALA HA H 1 4.151 0.05 . 1 . . . . 91 A HA . 6860 1 1042 . 1 1 91 91 ALA HB1 H 1 1.418 0.05 . 1 . . . . 91 A QB . 6860 1 1043 . 1 1 91 91 ALA HB2 H 1 1.418 0.05 . 1 . . . . 91 A QB . 6860 1 1044 . 1 1 91 91 ALA HB3 H 1 1.418 0.05 . 1 . . . . 91 A QB . 6860 1 1045 . 1 1 91 91 ALA C C 13 179.147 0.15 . 1 . . . . 91 A C . 6860 1 1046 . 1 1 91 91 ALA CA C 13 54.942 0.15 . 1 . . . . 91 A CA . 6860 1 1047 . 1 1 91 91 ALA CB C 13 18.242 0.15 . 1 . . . . 91 A CB . 6860 1 1048 . 1 1 91 91 ALA N N 15 122.939 0.15 . 1 . . . . 91 A N . 6860 1 1049 . 1 1 92 92 SER H H 1 8.858 0.05 . 1 . . . . 92 S H . 6860 1 1050 . 1 1 92 92 SER HA H 1 4.898 0.05 . 1 . . . . 92 S HA . 6860 1 1051 . 1 1 92 92 SER HB2 H 1 4.102 0.05 . 1 . . . . 92 S HB2 . 6860 1 1052 . 1 1 92 92 SER C C 13 172.440 0.15 . 1 . . . . 92 S C . 6860 1 1053 . 1 1 92 92 SER CA C 13 61.913 0.15 . 1 . . . . 92 S CA . 6860 1 1054 . 1 1 92 92 SER CB C 13 63.081 0.15 . 1 . . . . 92 S CB . 6860 1 1055 . 1 1 92 92 SER N N 15 114.526 0.15 . 1 . . . . 92 S N . 6860 1 1056 . 1 1 93 93 ARG H H 1 7.704 0.05 . 1 . . . . 93 R H . 6860 1 1057 . 1 1 93 93 ARG HA H 1 4.162 0.05 . 1 . . . . 93 R HA . 6860 1 1058 . 1 1 93 93 ARG HB2 H 1 2.084 0.05 . 1 . . . . 93 R HB2 . 6860 1 1059 . 1 1 93 93 ARG C C 13 177.757 0.15 . 1 . . . . 93 R C . 6860 1 1060 . 1 1 93 93 ARG CA C 13 59.544 0.15 . 1 . . . . 93 R CA . 6860 1 1061 . 1 1 93 93 ARG CB C 13 30.343 0.15 . 1 . . . . 93 R CB . 6860 1 1062 . 1 1 93 93 ARG N N 15 121.505 0.15 . 1 . . . . 93 R N . 6860 1 1063 . 1 1 94 94 LYS H H 1 7.456 0.05 . 1 . . . . 94 K H . 6860 1 1064 . 1 1 94 94 LYS HA H 1 4.174 0.05 . 1 . . . . 94 K HA . 6860 1 1065 . 1 1 94 94 LYS HB2 H 1 1.911 0.05 . 2 . . . . 94 K HB2 . 6860 1 1066 . 1 1 94 94 LYS HB3 H 1 2.012 0.05 . 2 . . . . 94 K HB3 . 6860 1 1067 . 1 1 94 94 LYS HG2 H 1 1.570 0.05 . 2 . . . . 94 K HG2 . 6860 1 1068 . 1 1 94 94 LYS HG3 H 1 1.483 0.05 . 2 . . . . 94 K HG3 . 6860 1 1069 . 1 1 94 94 LYS HD2 H 1 1.744 0.05 . 1 . . . . 94 K HD2 . 6860 1 1070 . 1 1 94 94 LYS HE2 H 1 3.012 0.05 . 1 . . . . 94 K HE2 . 6860 1 1071 . 1 1 94 94 LYS C C 13 178.861 0.15 . 1 . . . . 94 K C . 6860 1 1072 . 1 1 94 94 LYS CA C 13 59.030 0.15 . 1 . . . . 94 K CA . 6860 1 1073 . 1 1 94 94 LYS CB C 13 32.239 0.15 . 1 . . . . 94 K CB . 6860 1 1074 . 1 1 94 94 LYS CG C 13 24.850 0.15 . 1 . . . . 94 K CG . 6860 1 1075 . 1 1 94 94 LYS CD C 13 29.210 0.15 . 1 . . . . 94 K CD . 6860 1 1076 . 1 1 94 94 LYS CE C 13 42.046 0.15 . 1 . . . . 94 K CE . 6860 1 1077 . 1 1 94 94 LYS N N 15 119.072 0.15 . 1 . . . . 94 K N . 6860 1 1078 . 1 1 95 95 LEU H H 1 8.148 0.05 . 1 . . . . 95 L H . 6860 1 1079 . 1 1 95 95 LEU HA H 1 4.129 0.05 . 1 . . . . 95 L HA . 6860 1 1080 . 1 1 95 95 LEU HB2 H 1 1.527 0.05 . 2 . . . . 95 L HB2 . 6860 1 1081 . 1 1 95 95 LEU HB3 H 1 1.976 0.05 . 2 . . . . 95 L HB3 . 6860 1 1082 . 1 1 95 95 LEU HD11 H 1 0.882 0.05 . 2 . . . . 95 L QD1 . 6860 1 1083 . 1 1 95 95 LEU HD12 H 1 0.882 0.05 . 2 . . . . 95 L QD1 . 6860 1 1084 . 1 1 95 95 LEU HD13 H 1 0.882 0.05 . 2 . . . . 95 L QD1 . 6860 1 1085 . 1 1 95 95 LEU HD21 H 1 0.842 0.05 . 2 . . . . 95 L QD2 . 6860 1 1086 . 1 1 95 95 LEU HD22 H 1 0.842 0.05 . 2 . . . . 95 L QD2 . 6860 1 1087 . 1 1 95 95 LEU HD23 H 1 0.842 0.05 . 2 . . . . 95 L QD2 . 6860 1 1088 . 1 1 95 95 LEU C C 13 177.274 0.15 . 1 . . . . 95 L C . 6860 1 1089 . 1 1 95 95 LEU CA C 13 57.136 0.15 . 1 . . . . 95 L CA . 6860 1 1090 . 1 1 95 95 LEU CB C 13 41.908 0.15 . 1 . . . . 95 L CB . 6860 1 1091 . 1 1 95 95 LEU CD1 C 13 22.881 0.15 . 2 . . . . 95 L CD1 . 6860 1 1092 . 1 1 95 95 LEU CD2 C 13 25.486 0.15 . 2 . . . . 95 L CD2 . 6860 1 1093 . 1 1 95 95 LEU N N 15 119.717 0.15 . 1 . . . . 95 L N . 6860 1 1094 . 1 1 96 96 GLN H H 1 7.807 0.05 . 1 . . . . 96 Q H . 6860 1 1095 . 1 1 96 96 GLN HA H 1 4.242 0.05 . 1 . . . . 96 Q HA . 6860 1 1096 . 1 1 96 96 GLN HB2 H 1 2.071 0.05 . 2 . . . . 96 Q HB2 . 6860 1 1097 . 1 1 96 96 GLN HB3 H 1 2.360 0.05 . 2 . . . . 96 Q HB3 . 6860 1 1098 . 1 1 96 96 GLN HG2 H 1 2.595 0.05 . 2 . . . . 96 Q HG2 . 6860 1 1099 . 1 1 96 96 GLN HG3 H 1 2.217 0.05 . 2 . . . . 96 Q HG3 . 6860 1 1100 . 1 1 96 96 GLN HE21 H 1 7.249 0.05 . 2 . . . . 96 Q HE21 . 6860 1 1101 . 1 1 96 96 GLN HE22 H 1 6.848 0.05 . 2 . . . . 96 Q HE22 . 6860 1 1102 . 1 1 96 96 GLN C C 13 175.371 0.15 . 1 . . . . 96 Q C . 6860 1 1103 . 1 1 96 96 GLN CA C 13 56.397 0.15 . 1 . . . . 96 Q CA . 6860 1 1104 . 1 1 96 96 GLN CB C 13 29.123 0.15 . 1 . . . . 96 Q CB . 6860 1 1105 . 1 1 96 96 GLN CG C 13 34.528 0.15 . 1 . . . . 96 Q CG . 6860 1 1106 . 1 1 96 96 GLN N N 15 114.581 0.15 . 1 . . . . 96 Q N . 6860 1 1107 . 1 1 96 96 GLN NE2 N 15 109.994 0.15 . 1 . . . . 96 Q NE2 . 6860 1 1108 . 1 1 97 97 GLY H H 1 7.802 0.05 . 1 . . . . 97 G H . 6860 1 1109 . 1 1 97 97 GLY HA2 H 1 3.839 0.05 . 2 . . . . 97 G HA2 . 6860 1 1110 . 1 1 97 97 GLY HA3 H 1 4.096 0.05 . 2 . . . . 97 G HA3 . 6860 1 1111 . 1 1 97 97 GLY C C 13 172.636 0.15 . 1 . . . . 97 G C . 6860 1 1112 . 1 1 97 97 GLY CA C 13 46.372 0.15 . 1 . . . . 97 G CA . 6860 1 1113 . 1 1 97 97 GLY N N 15 106.959 0.15 . 1 . . . . 97 G N . 6860 1 1114 . 1 1 98 98 ASP H H 1 8.156 0.05 . 1 . . . . 98 D H . 6860 1 1115 . 1 1 98 98 ASP HA H 1 4.754 0.05 . 1 . . . . 98 D HA . 6860 1 1116 . 1 1 98 98 ASP HB2 H 1 2.926 0.05 . 2 . . . . 98 D HB2 . 6860 1 1117 . 1 1 98 98 ASP HB3 H 1 2.595 0.05 . 2 . . . . 98 D HB3 . 6860 1 1118 . 1 1 98 98 ASP CA C 13 52.882 0.15 . 1 . . . . 98 D CA . 6860 1 1119 . 1 1 98 98 ASP CB C 13 41.603 0.15 . 1 . . . . 98 D CB . 6860 1 1120 . 1 1 98 98 ASP N N 15 118.447 0.15 . 1 . . . . 98 D N . 6860 1 1121 . 1 1 99 99 PRO HA H 1 4.470 0.05 . 1 . . . . 99 P HA . 6860 1 1122 . 1 1 99 99 PRO HB2 H 1 1.997 0.05 . 2 . . . . 99 P HB2 . 6860 1 1123 . 1 1 99 99 PRO HB3 H 1 2.304 0.05 . 2 . . . . 99 P HB3 . 6860 1 1124 . 1 1 99 99 PRO HD2 H 1 3.648 0.05 . 2 . . . . 99 P HD2 . 6860 1 1125 . 1 1 99 99 PRO HD3 H 1 3.861 0.05 . 2 . . . . 99 P HD3 . 6860 1 1126 . 1 1 99 99 PRO C C 13 175.500 0.15 . 1 . . . . 99 P C . 6860 1 1127 . 1 1 99 99 PRO CA C 13 63.601 0.15 . 1 . . . . 99 P CA . 6860 1 1128 . 1 1 99 99 PRO CB C 13 32.423 0.15 . 1 . . . . 99 P CB . 6860 1 1129 . 1 1 99 99 PRO CD C 13 50.939 0.15 . 1 . . . . 99 P CD . 6860 1 1130 . 1 1 100 100 ASP H H 1 8.527 0.05 . 1 . . . . 100 D H . 6860 1 1131 . 1 1 100 100 ASP HA H 1 4.778 0.05 . 1 . . . . 100 D HA . 6860 1 1132 . 1 1 100 100 ASP HB2 H 1 2.597 0.05 . 2 . . . . 100 D HB2 . 6860 1 1133 . 1 1 100 100 ASP HB3 H 1 2.796 0.05 . 2 . . . . 100 D HB3 . 6860 1 1134 . 1 1 100 100 ASP C C 13 174.931 0.15 . 1 . . . . 100 D C . 6860 1 1135 . 1 1 100 100 ASP CA C 13 53.915 0.15 . 1 . . . . 100 D CA . 6860 1 1136 . 1 1 100 100 ASP CB C 13 40.665 0.15 . 1 . . . . 100 D CB . 6860 1 1137 . 1 1 100 100 ASP N N 15 119.340 0.15 . 1 . . . . 100 D N . 6860 1 1138 . 1 1 101 101 LEU H H 1 7.379 0.05 . 1 . . . . 101 L H . 6860 1 1139 . 1 1 101 101 LEU HA H 1 4.682 0.05 . 1 . . . . 101 L HA . 6860 1 1140 . 1 1 101 101 LEU HB2 H 1 1.551 0.05 . 2 . . . . 101 L HB2 . 6860 1 1141 . 1 1 101 101 LEU HB3 H 1 1.647 0.05 . 2 . . . . 101 L HB3 . 6860 1 1142 . 1 1 101 101 LEU HD11 H 1 0.999 0.05 . 2 . . . . 101 L QD1 . 6860 1 1143 . 1 1 101 101 LEU HD12 H 1 0.999 0.05 . 2 . . . . 101 L QD1 . 6860 1 1144 . 1 1 101 101 LEU HD13 H 1 0.999 0.05 . 2 . . . . 101 L QD1 . 6860 1 1145 . 1 1 101 101 LEU HD21 H 1 0.986 0.05 . 2 . . . . 101 L QD2 . 6860 1 1146 . 1 1 101 101 LEU HD22 H 1 0.986 0.05 . 2 . . . . 101 L QD2 . 6860 1 1147 . 1 1 101 101 LEU HD23 H 1 0.986 0.05 . 2 . . . . 101 L QD2 . 6860 1 1148 . 1 1 101 101 LEU CA C 13 52.956 0.15 . 1 . . . . 101 L CA . 6860 1 1149 . 1 1 101 101 LEU CB C 13 43.393 0.15 . 1 . . . . 101 L CB . 6860 1 1150 . 1 1 101 101 LEU CD1 C 13 25.532 0.15 . 2 . . . . 101 L CD1 . 6860 1 1151 . 1 1 101 101 LEU CD2 C 13 23.549 0.15 . 2 . . . . 101 L CD2 . 6860 1 1152 . 1 1 101 101 LEU N N 15 122.107 0.15 . 1 . . . . 101 L N . 6860 1 1153 . 1 1 102 102 PRO HA H 1 4.487 0.05 . 1 . . . . 102 P HA . 6860 1 1154 . 1 1 102 102 PRO HB2 H 1 2.446 0.05 . 2 . . . . 102 P HB2 . 6860 1 1155 . 1 1 102 102 PRO HB3 H 1 1.951 0.05 . 2 . . . . 102 P HB3 . 6860 1 1156 . 1 1 102 102 PRO HD2 H 1 3.629 0.05 . 2 . . . . 102 P HD2 . 6860 1 1157 . 1 1 102 102 PRO HD3 H 1 3.896 0.05 . 2 . . . . 102 P HD3 . 6860 1 1158 . 1 1 102 102 PRO C C 13 175.697 0.15 . 1 . . . . 102 P C . 6860 1 1159 . 1 1 102 102 PRO CA C 13 63.113 0.15 . 1 . . . . 102 P CA . 6860 1 1160 . 1 1 102 102 PRO CB C 13 32.138 0.15 . 1 . . . . 102 P CB . 6860 1 1161 . 1 1 102 102 PRO CG C 13 27.270 0.15 . 1 . . . . 102 P CG . 6860 1 1162 . 1 1 102 102 PRO CD C 13 50.810 0.15 . 1 . . . . 102 P CD . 6860 1 1163 . 1 1 103 103 MET H H 1 9.011 0.05 . 1 . . . . 103 M H . 6860 1 1164 . 1 1 103 103 MET HA H 1 4.769 0.05 . 1 . . . . 103 M HA . 6860 1 1165 . 1 1 103 103 MET HB2 H 1 2.131 0.05 . 2 . . . . 103 M HB2 . 6860 1 1166 . 1 1 103 103 MET HB3 H 1 2.045 0.05 . 2 . . . . 103 M HB3 . 6860 1 1167 . 1 1 103 103 MET HG2 H 1 2.678 0.05 . 1 . . . . 103 M HG2 . 6860 1 1168 . 1 1 103 103 MET HE1 H 1 2.103 0.05 . 1 . . . . 103 M QE . 6860 1 1169 . 1 1 103 103 MET HE2 H 1 2.103 0.05 . 1 . . . . 103 M QE . 6860 1 1170 . 1 1 103 103 MET HE3 H 1 2.103 0.05 . 1 . . . . 103 M QE . 6860 1 1171 . 1 1 103 103 MET C C 13 174.080 0.15 . 1 . . . . 103 M C . 6860 1 1172 . 1 1 103 103 MET CA C 13 54.737 0.15 . 1 . . . . 103 M CA . 6860 1 1173 . 1 1 103 103 MET CB C 13 34.857 0.15 . 1 . . . . 103 M CB . 6860 1 1174 . 1 1 103 103 MET CG C 13 32.914 0.15 . 1 . . . . 103 M CG . 6860 1 1175 . 1 1 103 103 MET CE C 13 17.436 0.15 . 1 . . . . 103 M CE . 6860 1 1176 . 1 1 103 103 MET N N 15 123.334 0.15 . 1 . . . . 103 M N . 6860 1 1177 . 1 1 104 104 SER H H 1 8.239 0.05 . 1 . . . . 104 S H . 6860 1 1178 . 1 1 104 104 SER HA H 1 5.079 0.05 . 1 . . . . 104 S HA . 6860 1 1179 . 1 1 104 104 SER HB2 H 1 3.919 0.05 . 2 . . . . 104 S HB2 . 6860 1 1180 . 1 1 104 104 SER HB3 H 1 3.772 0.05 . 2 . . . . 104 S HB3 . 6860 1 1181 . 1 1 104 104 SER C C 13 171.795 0.15 . 1 . . . . 104 S C . 6860 1 1182 . 1 1 104 104 SER CA C 13 57.641 0.15 . 1 . . . . 104 S CA . 6860 1 1183 . 1 1 104 104 SER CB C 13 66.282 0.15 . 1 . . . . 104 S CB . 6860 1 1184 . 1 1 104 104 SER N N 15 114.434 0.15 . 1 . . . . 104 S N . 6860 1 1185 . 1 1 105 105 PHE H H 1 9.003 0.05 . 1 . . . . 105 F H . 6860 1 1186 . 1 1 105 105 PHE HA H 1 5.209 0.05 . 1 . . . . 105 F HA . 6860 1 1187 . 1 1 105 105 PHE HB2 H 1 3.077 0.05 . 2 . . . . 105 F HB2 . 6860 1 1188 . 1 1 105 105 PHE HB3 H 1 3.027 0.05 . 2 . . . . 105 F HB3 . 6860 1 1189 . 1 1 105 105 PHE HD1 H 1 6.952 0.05 . 1 . . . . 105 F QD . 6860 1 1190 . 1 1 105 105 PHE HD2 H 1 6.952 0.05 . 1 . . . . 105 F QD . 6860 1 1191 . 1 1 105 105 PHE HE1 H 1 7.225 0.05 . 1 . . . . 105 F QE . 6860 1 1192 . 1 1 105 105 PHE HE2 H 1 7.225 0.05 . 1 . . . . 105 F QE . 6860 1 1193 . 1 1 105 105 PHE C C 13 170.688 0.15 . 1 . . . . 105 F C . 6860 1 1194 . 1 1 105 105 PHE CA C 13 56.917 0.15 . 1 . . . . 105 F CA . 6860 1 1195 . 1 1 105 105 PHE CB C 13 41.350 0.15 . 1 . . . . 105 F CB . 6860 1 1196 . 1 1 105 105 PHE N N 15 116.224 0.15 . 1 . . . . 105 F N . 6860 1 1197 . 1 1 106 106 THR H H 1 9.074 0.05 . 1 . . . . 106 T H . 6860 1 1198 . 1 1 106 106 THR HA H 1 4.664 0.05 . 1 . . . . 106 T HA . 6860 1 1199 . 1 1 106 106 THR HB H 1 4.230 0.05 . 1 . . . . 106 T HB . 6860 1 1200 . 1 1 106 106 THR HG21 H 1 1.326 0.05 . 1 . . . . 106 T QG2 . 6860 1 1201 . 1 1 106 106 THR HG22 H 1 1.326 0.05 . 1 . . . . 106 T QG2 . 6860 1 1202 . 1 1 106 106 THR HG23 H 1 1.326 0.05 . 1 . . . . 106 T QG2 . 6860 1 1203 . 1 1 106 106 THR C C 13 171.767 0.15 . 1 . . . . 106 T C . 6860 1 1204 . 1 1 106 106 THR CA C 13 62.162 0.15 . 1 . . . . 106 T CA . 6860 1 1205 . 1 1 106 106 THR CB C 13 70.072 0.15 . 1 . . . . 106 T CB . 6860 1 1206 . 1 1 106 106 THR CG2 C 13 23.457 0.15 . 1 . . . . 106 T CG2 . 6860 1 1207 . 1 1 106 106 THR N N 15 117.469 0.15 . 1 . . . . 106 T N . 6860 1 1208 . 1 1 107 107 LEU H H 1 9.804 0.05 . 1 . . . . 107 L H . 6860 1 1209 . 1 1 107 107 LEU HA H 1 4.750 0.05 . 1 . . . . 107 L HA . 6860 1 1210 . 1 1 107 107 LEU HB2 H 1 2.000 0.05 . 1 . . . . 107 L HB2 . 6860 1 1211 . 1 1 107 107 LEU HB3 H 1 1.427 0.05 . 1 . . . . 107 L HB3 . 6860 1 1212 . 1 1 107 107 LEU HG H 1 1.388 0.05 . 1 . . . . 107 L HG . 6860 1 1213 . 1 1 107 107 LEU HD11 H 1 0.688 0.05 . 2 . . . . 107 L QD1 . 6860 1 1214 . 1 1 107 107 LEU HD12 H 1 0.688 0.05 . 2 . . . . 107 L QD1 . 6860 1 1215 . 1 1 107 107 LEU HD13 H 1 0.688 0.05 . 2 . . . . 107 L QD1 . 6860 1 1216 . 1 1 107 107 LEU HD21 H 1 1.038 0.05 . 2 . . . . 107 L QD2 . 6860 1 1217 . 1 1 107 107 LEU HD22 H 1 1.038 0.05 . 2 . . . . 107 L QD2 . 6860 1 1218 . 1 1 107 107 LEU HD23 H 1 1.038 0.05 . 2 . . . . 107 L QD2 . 6860 1 1219 . 1 1 107 107 LEU C C 13 172.742 0.15 . 1 . . . . 107 L C . 6860 1 1220 . 1 1 107 107 LEU CA C 13 54.151 0.15 . 1 . . . . 107 L CA . 6860 1 1221 . 1 1 107 107 LEU CB C 13 44.486 0.15 . 1 . . . . 107 L CB . 6860 1 1222 . 1 1 107 107 LEU CD1 C 13 25.886 0.15 . 2 . . . . 107 L CD1 . 6860 1 1223 . 1 1 107 107 LEU CD2 C 13 24.150 0.15 . 2 . . . . 107 L CD2 . 6860 1 1224 . 1 1 107 107 LEU N N 15 133.400 0.15 . 1 . . . . 107 L N . 6860 1 1225 . 1 1 108 108 ALA H H 1 8.435 0.05 . 1 . . . . 108 A H . 6860 1 1226 . 1 1 108 108 ALA HA H 1 4.683 0.05 . 1 . . . . 108 A HA . 6860 1 1227 . 1 1 108 108 ALA HB1 H 1 0.815 0.05 . 1 . . . . 108 A QB . 6860 1 1228 . 1 1 108 108 ALA HB2 H 1 0.815 0.05 . 1 . . . . 108 A QB . 6860 1 1229 . 1 1 108 108 ALA HB3 H 1 0.815 0.05 . 1 . . . . 108 A QB . 6860 1 1230 . 1 1 108 108 ALA C C 13 173.052 0.15 . 1 . . . . 108 A C . 6860 1 1231 . 1 1 108 108 ALA CA C 13 49.308 0.15 . 1 . . . . 108 A CA . 6860 1 1232 . 1 1 108 108 ALA CB C 13 22.120 0.15 . 1 . . . . 108 A CB . 6860 1 1233 . 1 1 108 108 ALA N N 15 131.422 0.15 . 1 . . . . 108 A N . 6860 1 1234 . 1 1 109 109 ILE H H 1 8.909 0.05 . 1 . . . . 109 I H . 6860 1 1235 . 1 1 109 109 ILE HA H 1 4.063 0.05 . 1 . . . . 109 I HA . 6860 1 1236 . 1 1 109 109 ILE HB H 1 1.542 0.05 . 1 . . . . 109 I HB . 6860 1 1237 . 1 1 109 109 ILE HG12 H 1 -0.055 0.05 . 1 . . . . 109 I HG12 . 6860 1 1238 . 1 1 109 109 ILE HG13 H 1 1.174 0.05 . 1 . . . . 109 I HG13 . 6860 1 1239 . 1 1 109 109 ILE HG21 H 1 0.568 0.05 . 1 . . . . 109 I QG2 . 6860 1 1240 . 1 1 109 109 ILE HG22 H 1 0.568 0.05 . 1 . . . . 109 I QG2 . 6860 1 1241 . 1 1 109 109 ILE HG23 H 1 0.568 0.05 . 1 . . . . 109 I QG2 . 6860 1 1242 . 1 1 109 109 ILE HD11 H 1 0.247 0.05 . 1 . . . . 109 I QD1 . 6860 1 1243 . 1 1 109 109 ILE HD12 H 1 0.247 0.05 . 1 . . . . 109 I QD1 . 6860 1 1244 . 1 1 109 109 ILE HD13 H 1 0.247 0.05 . 1 . . . . 109 I QD1 . 6860 1 1245 . 1 1 109 109 ILE CA C 13 60.982 0.15 . 1 . . . . 109 I CA . 6860 1 1246 . 1 1 109 109 ILE CB C 13 39.074 0.15 . 1 . . . . 109 I CB . 6860 1 1247 . 1 1 109 109 ILE CG1 C 13 27.233 0.15 . 1 . . . . 109 I CG1 . 6860 1 1248 . 1 1 109 109 ILE CG2 C 13 17.888 0.15 . 1 . . . . 109 I CG2 . 6860 1 1249 . 1 1 109 109 ILE CD1 C 13 14.086 0.15 . 1 . . . . 109 I CD1 . 6860 1 1250 . 1 1 109 109 ILE N N 15 124.415 0.15 . 1 . . . . 109 I N . 6860 1 1251 . 1 1 110 110 VAL H H 1 8.706 0.05 . 1 . . . . 110 V H . 6860 1 1252 . 1 1 110 110 VAL HA H 1 4.324 0.05 . 1 . . . . 110 V HA . 6860 1 1253 . 1 1 110 110 VAL HB H 1 1.861 0.05 . 1 . . . . 110 V HB . 6860 1 1254 . 1 1 110 110 VAL HG11 H 1 0.737 0.05 . 1 . . . . 110 V QG1 . 6860 1 1255 . 1 1 110 110 VAL HG12 H 1 0.737 0.05 . 1 . . . . 110 V QG1 . 6860 1 1256 . 1 1 110 110 VAL HG13 H 1 0.737 0.05 . 1 . . . . 110 V QG1 . 6860 1 1257 . 1 1 110 110 VAL HG21 H 1 0.875 0.05 . 1 . . . . 110 V QG2 . 6860 1 1258 . 1 1 110 110 VAL HG22 H 1 0.875 0.05 . 1 . . . . 110 V QG2 . 6860 1 1259 . 1 1 110 110 VAL HG23 H 1 0.875 0.05 . 1 . . . . 110 V QG2 . 6860 1 1260 . 1 1 110 110 VAL C C 13 175.700 0.15 . 1 . . . . 110 V C . 6860 1 1261 . 1 1 110 110 VAL CA C 13 62.316 0.15 . 1 . . . . 110 V CA . 6860 1 1262 . 1 1 110 110 VAL CB C 13 31.876 0.15 . 1 . . . . 110 V CB . 6860 1 1263 . 1 1 110 110 VAL CG1 C 13 21.993 0.15 . 1 . . . . 110 V CG1 . 6860 1 1264 . 1 1 110 110 VAL N N 15 127.457 0.15 . 1 . . . . 110 V N . 6860 1 1265 . 1 1 111 111 GLU H H 1 9.024 0.05 . 1 . . . . 111 E H . 6860 1 1266 . 1 1 111 111 GLU HA H 1 4.403 0.05 . 1 . . . . 111 E HA . 6860 1 1267 . 1 1 111 111 GLU HB3 H 1 2.145 0.05 . 1 . . . . 111 E HB3 . 6860 1 1268 . 1 1 111 111 GLU HG2 H 1 2.347 0.05 . 1 . . . . 111 E HG2 . 6860 1 1269 . 1 1 111 111 GLU C C 13 175.987 0.15 . 1 . . . . 111 E C . 6860 1 1270 . 1 1 111 111 GLU CA C 13 56.842 0.15 . 1 . . . . 111 E CA . 6860 1 1271 . 1 1 111 111 GLU CB C 13 31.044 0.15 . 1 . . . . 111 E CB . 6860 1 1272 . 1 1 111 111 GLU N N 15 129.768 0.15 . 1 . . . . 111 E N . 6860 1 1273 . 1 1 112 112 SER H H 1 9.143 0.05 . 1 . . . . 112 S H . 6860 1 1274 . 1 1 112 112 SER HA H 1 4.394 0.05 . 1 . . . . 112 S HA . 6860 1 1275 . 1 1 112 112 SER HB2 H 1 4.079 0.05 . 1 . . . . 112 S HB2 . 6860 1 1276 . 1 1 112 112 SER C C 13 173.187 0.15 . 1 . . . . 112 S C . 6860 1 1277 . 1 1 112 112 SER CA C 13 60.180 0.15 . 1 . . . . 112 S CA . 6860 1 1278 . 1 1 112 112 SER CB C 13 63.415 0.15 . 1 . . . . 112 S CB . 6860 1 1279 . 1 1 112 112 SER N N 15 115.956 0.15 . 1 . . . . 112 S N . 6860 1 1280 . 1 1 113 113 ASP H H 1 8.133 0.05 . 1 . . . . 113 D H . 6860 1 1281 . 1 1 113 113 ASP HA H 1 4.573 0.05 . 1 . . . . 113 D HA . 6860 1 1282 . 1 1 113 113 ASP HB2 H 1 2.645 0.05 . 2 . . . . 113 D HB2 . 6860 1 1283 . 1 1 113 113 ASP HB3 H 1 3.010 0.05 . 2 . . . . 113 D HB3 . 6860 1 1284 . 1 1 113 113 ASP C C 13 175.430 0.15 . 1 . . . . 113 D C . 6860 1 1285 . 1 1 113 113 ASP CA C 13 54.115 0.15 . 1 . . . . 113 D CA . 6860 1 1286 . 1 1 113 113 ASP CB C 13 40.011 0.15 . 1 . . . . 113 D CB . 6860 1 1287 . 1 1 113 113 ASP N N 15 118.343 0.15 . 1 . . . . 113 D N . 6860 1 1288 . 1 1 114 114 SER H H 1 8.034 0.05 . 1 . . . . 114 S H . 6860 1 1289 . 1 1 114 114 SER HA H 1 4.057 0.05 . 1 . . . . 114 S HA . 6860 1 1290 . 1 1 114 114 SER HB2 H 1 4.220 0.05 . 1 . . . . 114 S HB2 . 6860 1 1291 . 1 1 114 114 SER C C 13 172.209 0.15 . 1 . . . . 114 S C . 6860 1 1292 . 1 1 114 114 SER CA C 13 60.179 0.15 . 1 . . . . 114 S CA . 6860 1 1293 . 1 1 114 114 SER CB C 13 62.702 0.15 . 1 . . . . 114 S CB . 6860 1 1294 . 1 1 114 114 SER N N 15 109.836 0.15 . 1 . . . . 114 S N . 6860 1 1295 . 1 1 115 115 THR H H 1 7.711 0.05 . 1 . . . . 115 T H . 6860 1 1296 . 1 1 115 115 THR HA H 1 4.250 0.05 . 1 . . . . 115 T HA . 6860 1 1297 . 1 1 115 115 THR HG21 H 1 1.146 0.05 . 1 . . . . 115 T QG2 . 6860 1 1298 . 1 1 115 115 THR HG22 H 1 1.146 0.05 . 1 . . . . 115 T QG2 . 6860 1 1299 . 1 1 115 115 THR HG23 H 1 1.146 0.05 . 1 . . . . 115 T QG2 . 6860 1 1300 . 1 1 115 115 THR C C 13 171.500 0.15 . 1 . . . . 115 T C . 6860 1 1301 . 1 1 115 115 THR CA C 13 63.547 0.15 . 1 . . . . 115 T CA . 6860 1 1302 . 1 1 115 115 THR CB C 13 69.595 0.15 . 1 . . . . 115 T CB . 6860 1 1303 . 1 1 115 115 THR N N 15 117.407 0.15 . 1 . . . . 115 T N . 6860 1 1304 . 1 1 116 116 ILE H H 1 8.219 0.05 . 1 . . . . 116 I H . 6860 1 1305 . 1 1 116 116 ILE HA H 1 4.769 0.05 . 1 . . . . 116 I HA . 6860 1 1306 . 1 1 116 116 ILE HB H 1 1.294 0.05 . 1 . . . . 116 I HB . 6860 1 1307 . 1 1 116 116 ILE HG12 H 1 1.592 0.05 . 1 . . . . 116 I HG12 . 6860 1 1308 . 1 1 116 116 ILE HG13 H 1 0.739 0.05 . 1 . . . . 116 I HG13 . 6860 1 1309 . 1 1 116 116 ILE HG21 H 1 0.009 0.05 . 1 . . . . 116 I QG2 . 6860 1 1310 . 1 1 116 116 ILE HG22 H 1 0.009 0.05 . 1 . . . . 116 I QG2 . 6860 1 1311 . 1 1 116 116 ILE HG23 H 1 0.009 0.05 . 1 . . . . 116 I QG2 . 6860 1 1312 . 1 1 116 116 ILE HD11 H 1 0.647 0.05 . 1 . . . . 116 I QD1 . 6860 1 1313 . 1 1 116 116 ILE HD12 H 1 0.647 0.05 . 1 . . . . 116 I QD1 . 6860 1 1314 . 1 1 116 116 ILE HD13 H 1 0.647 0.05 . 1 . . . . 116 I QD1 . 6860 1 1315 . 1 1 116 116 ILE C C 13 174.434 0.15 . 1 . . . . 116 I C . 6860 1 1316 . 1 1 116 116 ILE CA C 13 60.306 0.15 . 1 . . . . 116 I CA . 6860 1 1317 . 1 1 116 116 ILE CB C 13 40.686 0.15 . 1 . . . . 116 I CB . 6860 1 1318 . 1 1 116 116 ILE CG1 C 13 27.702 0.15 . 1 . . . . 116 I CG1 . 6860 1 1319 . 1 1 116 116 ILE CG2 C 13 17.589 0.15 . 1 . . . . 116 I CG2 . 6860 1 1320 . 1 1 116 116 ILE CD1 C 13 14.830 0.15 . 1 . . . . 116 I CD1 . 6860 1 1321 . 1 1 116 116 ILE N N 15 125.480 0.15 . 1 . . . . 116 I N . 6860 1 1322 . 1 1 117 117 VAL H H 1 8.695 0.05 . 1 . . . . 117 V H . 6860 1 1323 . 1 1 117 117 VAL HA H 1 4.315 0.05 . 1 . . . . 117 V HA . 6860 1 1324 . 1 1 117 117 VAL HB H 1 1.801 0.05 . 1 . . . . 117 V HB . 6860 1 1325 . 1 1 117 117 VAL HG11 H 1 0.820 0.05 . 1 . . . . 117 V QG1 . 6860 1 1326 . 1 1 117 117 VAL HG12 H 1 0.820 0.05 . 1 . . . . 117 V QG1 . 6860 1 1327 . 1 1 117 117 VAL HG13 H 1 0.820 0.05 . 1 . . . . 117 V QG1 . 6860 1 1328 . 1 1 117 117 VAL C C 13 172.243 0.15 . 1 . . . . 117 V C . 6860 1 1329 . 1 1 117 117 VAL CA C 13 60.621 0.15 . 1 . . . . 117 V CA . 6860 1 1330 . 1 1 117 117 VAL CB C 13 34.558 0.15 . 1 . . . . 117 V CB . 6860 1 1331 . 1 1 117 117 VAL CG1 C 13 20.898 0.15 . 1 . . . . 117 V CG1 . 6860 1 1332 . 1 1 117 117 VAL N N 15 127.887 0.15 . 1 . . . . 117 V N . 6860 1 1333 . 1 1 118 118 TYR H H 1 8.270 0.05 . 1 . . . . 118 Y H . 6860 1 1334 . 1 1 118 118 TYR HA H 1 5.327 0.05 . 1 . . . . 118 Y HA . 6860 1 1335 . 1 1 118 118 TYR HB2 H 1 2.651 0.05 . 1 . . . . 118 Y HB2 . 6860 1 1336 . 1 1 118 118 TYR HB3 H 1 2.753 0.05 . 1 . . . . 118 Y HB3 . 6860 1 1337 . 1 1 118 118 TYR HD1 H 1 6.928 0.05 . 1 . . . . 118 Y QD . 6860 1 1338 . 1 1 118 118 TYR HD2 H 1 6.928 0.05 . 1 . . . . 118 Y QD . 6860 1 1339 . 1 1 118 118 TYR HE1 H 1 6.410 0.05 . 1 . . . . 118 Y QE . 6860 1 1340 . 1 1 118 118 TYR HE2 H 1 6.410 0.05 . 1 . . . . 118 Y QE . 6860 1 1341 . 1 1 118 118 TYR HH H 1 10.383 0.05 . 1 . . . . 118 Y HH . 6860 1 1342 . 1 1 118 118 TYR C C 13 174.250 0.15 . 1 . . . . 118 Y C . 6860 1 1343 . 1 1 118 118 TYR CA C 13 57.283 0.15 . 1 . . . . 118 Y CA . 6860 1 1344 . 1 1 118 118 TYR CB C 13 39.262 0.15 . 1 . . . . 118 Y CB . 6860 1 1345 . 1 1 118 118 TYR N N 15 124.822 0.15 . 1 . . . . 118 Y N . 6860 1 1346 . 1 1 119 119 TYR H H 1 9.207 0.05 . 1 . . . . 119 Y H . 6860 1 1347 . 1 1 119 119 TYR HA H 1 4.821 0.05 . 1 . . . . 119 Y HA . 6860 1 1348 . 1 1 119 119 TYR HB2 H 1 2.537 0.05 . 1 . . . . 119 Y HB2 . 6860 1 1349 . 1 1 119 119 TYR HB3 H 1 2.684 0.05 . 1 . . . . 119 Y HB3 . 6860 1 1350 . 1 1 119 119 TYR HD1 H 1 6.899 0.05 . 1 . . . . 119 Y QD . 6860 1 1351 . 1 1 119 119 TYR HD2 H 1 6.899 0.05 . 1 . . . . 119 Y QD . 6860 1 1352 . 1 1 119 119 TYR HE1 H 1 6.790 0.05 . 1 . . . . 119 Y QE . 6860 1 1353 . 1 1 119 119 TYR HE2 H 1 6.790 0.05 . 1 . . . . 119 Y QE . 6860 1 1354 . 1 1 119 119 TYR C C 13 171.994 0.15 . 1 . . . . 119 Y C . 6860 1 1355 . 1 1 119 119 TYR CA C 13 58.116 0.15 . 1 . . . . 119 Y CA . 6860 1 1356 . 1 1 119 119 TYR CB C 13 43.544 0.15 . 1 . . . . 119 Y CB . 6860 1 1357 . 1 1 119 119 TYR N N 15 125.153 0.15 . 1 . . . . 119 Y N . 6860 1 1358 . 1 1 120 120 LYS H H 1 7.700 0.05 . 1 . . . . 120 K H . 6860 1 1359 . 1 1 120 120 LYS HA H 1 4.558 0.05 . 1 . . . . 120 K HA . 6860 1 1360 . 1 1 120 120 LYS HB2 H 1 1.464 0.05 . 1 . . . . 120 K HB2 . 6860 1 1361 . 1 1 120 120 LYS HG2 H 1 1.279 0.05 . 1 . . . . 120 K HG2 . 6860 1 1362 . 1 1 120 120 LYS HG3 H 1 1.163 0.05 . 1 . . . . 120 K HG3 . 6860 1 1363 . 1 1 120 120 LYS HD2 H 1 1.513 0.05 . 1 . . . . 120 K HD2 . 6860 1 1364 . 1 1 120 120 LYS HD3 H 1 1.559 0.05 . 1 . . . . 120 K HD3 . 6860 1 1365 . 1 1 120 120 LYS HE2 H 1 2.843 0.05 . 1 . . . . 120 K HE2 . 6860 1 1366 . 1 1 120 120 LYS C C 13 172.017 0.15 . 1 . . . . 120 K C . 6860 1 1367 . 1 1 120 120 LYS CA C 13 57.217 0.15 . 1 . . . . 120 K CA . 6860 1 1368 . 1 1 120 120 LYS CB C 13 33.914 0.15 . 1 . . . . 120 K CB . 6860 1 1369 . 1 1 120 120 LYS CG C 13 25.139 0.15 . 1 . . . . 120 K CG . 6860 1 1370 . 1 1 120 120 LYS CD C 13 29.120 0.15 . 1 . . . . 120 K CD . 6860 1 1371 . 1 1 120 120 LYS CE C 13 41.931 0.15 . 1 . . . . 120 K CE . 6860 1 1372 . 1 1 120 120 LYS N N 15 129.442 0.15 . 1 . . . . 120 K N . 6860 1 1373 . 1 1 121 121 LEU H H 1 8.112 0.05 . 1 . . . . 121 L H . 6860 1 1374 . 1 1 121 121 LEU HA H 1 5.323 0.05 . 1 . . . . 121 L HA . 6860 1 1375 . 1 1 121 121 LEU HB2 H 1 0.786 0.05 . 1 . . . . 121 L HB2 . 6860 1 1376 . 1 1 121 121 LEU HB3 H 1 1.179 0.05 . 1 . . . . 121 L HB3 . 6860 1 1377 . 1 1 121 121 LEU HG H 1 1.650 0.05 . 1 . . . . 121 L HG . 6860 1 1378 . 1 1 121 121 LEU HD11 H 1 1.064 0.05 . 1 . . . . 121 L QD1 . 6860 1 1379 . 1 1 121 121 LEU HD12 H 1 1.064 0.05 . 1 . . . . 121 L QD1 . 6860 1 1380 . 1 1 121 121 LEU HD13 H 1 1.064 0.05 . 1 . . . . 121 L QD1 . 6860 1 1381 . 1 1 121 121 LEU HD21 H 1 0.922 0.05 . 1 . . . . 121 L QD2 . 6860 1 1382 . 1 1 121 121 LEU HD22 H 1 0.922 0.05 . 1 . . . . 121 L QD2 . 6860 1 1383 . 1 1 121 121 LEU HD23 H 1 0.922 0.05 . 1 . . . . 121 L QD2 . 6860 1 1384 . 1 1 121 121 LEU C C 13 175.733 0.15 . 1 . . . . 121 L C . 6860 1 1385 . 1 1 121 121 LEU CA C 13 52.716 0.15 . 1 . . . . 121 L CA . 6860 1 1386 . 1 1 121 121 LEU CB C 13 44.098 0.15 . 1 . . . . 121 L CB . 6860 1 1387 . 1 1 121 121 LEU CD1 C 13 25.826 0.15 . 1 . . . . 121 L CD1 . 6860 1 1388 . 1 1 121 121 LEU CD2 C 13 26.758 0.15 . 1 . . . . 121 L CD2 . 6860 1 1389 . 1 1 121 121 LEU N N 15 123.403 0.15 . 1 . . . . 121 L N . 6860 1 1390 . 1 1 122 122 THR H H 1 8.338 0.05 . 1 . . . . 122 T H . 6860 1 1391 . 1 1 122 122 THR HA H 1 5.097 0.05 . 1 . . . . 122 T HA . 6860 1 1392 . 1 1 122 122 THR HB H 1 4.650 0.05 . 1 . . . . 122 T HB . 6860 1 1393 . 1 1 122 122 THR HG21 H 1 0.934 0.05 . 1 . . . . 122 T QG2 . 6860 1 1394 . 1 1 122 122 THR HG22 H 1 0.934 0.05 . 1 . . . . 122 T QG2 . 6860 1 1395 . 1 1 122 122 THR HG23 H 1 0.934 0.05 . 1 . . . . 122 T QG2 . 6860 1 1396 . 1 1 122 122 THR C C 13 173.221 0.15 . 1 . . . . 122 T C . 6860 1 1397 . 1 1 122 122 THR CA C 13 60.306 0.15 . 1 . . . . 122 T CA . 6860 1 1398 . 1 1 122 122 THR CB C 13 72.473 0.15 . 1 . . . . 122 T CB . 6860 1 1399 . 1 1 122 122 THR CG2 C 13 19.994 0.15 . 1 . . . . 122 T CG2 . 6860 1 1400 . 1 1 122 122 THR N N 15 109.081 0.15 . 1 . . . . 122 T N . 6860 1 1401 . 1 1 123 123 ASP H H 1 8.004 0.05 . 1 . . . . 123 D H . 6860 1 1402 . 1 1 123 123 ASP HA H 1 4.682 0.05 . 1 . . . . 123 D HA . 6860 1 1403 . 1 1 123 123 ASP HB3 H 1 2.810 0.05 . 1 . . . . 123 D HB3 . 6860 1 1404 . 1 1 123 123 ASP CA C 13 56.730 0.15 . 1 . . . . 123 D CA . 6860 1 1405 . 1 1 123 123 ASP CB C 13 43.248 0.15 . 1 . . . . 123 D CB . 6860 1 1406 . 1 1 123 123 ASP N N 15 124.199 0.15 . 1 . . . . 123 D N . 6860 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 1 109 6860 1 1 110 6860 1 1 111 6860 1 1 112 6860 1 stop_ save_