data_6385 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6385 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for pleckstrin human DEP domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-10 _Entry.Accession_date 2004-11-10 _Entry.Last_release_date 2005-01-14 _Entry.Original_release_date 2005-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Concepcion Civera . . . 6385 2 Bernd Simon . . . 6385 3 Gunter Stier . . . 6385 4 Michael Sattler . . . 6385 5 Maria Macias . J. . 6385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6385 coupling_constants 1 6385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1087 6385 '13C chemical shifts' 328 6385 '15N chemical shifts' 112 6385 'coupling constants' 71 6385 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 1 . . 2005-01-14 2004-11-10 original author . 6385 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6385 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15573383 _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 2 _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 354 _Citation.Page_last 366 _Citation.Year 2005 _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 Concepcion Civera . . . 6385 1 2 Bernd Simon . . . 6385 1 3 Gunter Stier . . . 6385 1 4 Michael Sattler . . . 6385 1 5 Maria Macias . J. . 6385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_h-_DEP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_h-_DEP _Assembly.Entry_ID 6385 _Assembly.ID 1 _Assembly.Name 'human pleckstrin Dep domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6385 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DEP monomer' 1 $DEP_monomer . . . native . . . . . 6385 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human pleckstrin Dep domain' system 6385 1 'h- DEP' abbreviation 6385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DEP_monomer _Entity.Sf_category entity _Entity.Sf_framecode DEP_monomer _Entity.Entry_ID 6385 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pleckstrin _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 ; METIDLGALYLSMKDTEKGI KELNLEKDKKIFNHCFTGNC VIDWLVSNQSVRNRQEGLMI ASSLLNEGYLQPAGDMSKSA VDGTAENPFLDNPDAFYYFP DSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6873 . C-PH . . . . . 99.03 360 100.00 100.00 3.87e-66 . . . . 6385 1 2 no PDB 1W4M . "Structure Of The Human Pleckstrin Dep Domain By Multidimensional Nmr" . . . . . 99.03 103 100.00 100.00 1.10e-68 . . . . 6385 1 3 no PDB 2CSO . "Solution Structure Of The Dep Domain Of Human Pleckstrin" . . . . . 99.03 127 100.00 100.00 1.63e-68 . . . . 6385 1 4 no DBJ BAD92204 . "PLEK protein variant [Homo sapiens]" . . . . . 99.03 308 100.00 100.00 1.87e-66 . . . . 6385 1 5 no DBJ BAG36495 . "unnamed protein product [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.31e-66 . . . . 6385 1 6 no DBJ BAI47103 . "pleckstrin [synthetic construct]" . . . . . 99.03 350 100.00 100.00 3.31e-66 . . . . 6385 1 7 no EMBL CAA30564 . "unnamed protein product [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.93e-66 . . . . 6385 1 8 no EMBL CAG46853 . "PLEK [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.24e-66 . . . . 6385 1 9 no EMBL CAG46876 . "PLEK [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.53e-66 . . . . 6385 1 10 no EMBL CAH04268 . "protein kinase C activity reporter protein [synthetic construct]" . . . . . 99.03 722 100.00 100.00 7.11e-63 . . . . 6385 1 11 no GB AAH18549 . "Pleckstrin [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.24e-66 . . . . 6385 1 12 no GB AAP36299 . "Homo sapiens pleckstrin [synthetic construct]" . . . . . 99.03 351 100.00 100.00 2.92e-66 . . . . 6385 1 13 no GB AAX37008 . "pleckstrin [synthetic construct]" . . . . . 99.03 351 100.00 100.00 3.12e-66 . . . . 6385 1 14 no GB AAX43402 . "pleckstrin [synthetic construct]" . . . . . 99.03 351 100.00 100.00 2.92e-66 . . . . 6385 1 15 no GB AAX93121 . "unknown [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.31e-66 . . . . 6385 1 16 no PRF 1408254A . "protein kinase C substrate protein P47" . . . . . 99.03 350 100.00 100.00 3.76e-66 . . . . 6385 1 17 no REF NP_002655 . "pleckstrin [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.31e-66 . . . . 6385 1 18 no REF XP_001094492 . "PREDICTED: pleckstrin [Macaca mulatta]" . . . . . 99.03 350 100.00 100.00 3.38e-66 . . . . 6385 1 19 no REF XP_002811995 . "PREDICTED: pleckstrin [Pongo abelii]" . . . . . 99.03 350 98.04 98.04 9.94e-65 . . . . 6385 1 20 no REF XP_003262529 . "PREDICTED: pleckstrin [Nomascus leucogenys]" . . . . . 99.03 350 99.02 100.00 1.37e-65 . . . . 6385 1 21 no REF XP_003830964 . "PREDICTED: pleckstrin [Pan paniscus]" . . . . . 99.03 350 100.00 100.00 3.10e-66 . . . . 6385 1 22 no SP P08567 . "RecName: Full=Pleckstrin; AltName: Full=Platelet 47 kDa protein; Short=p47 [Homo sapiens]" . . . . . 99.03 350 100.00 100.00 3.31e-66 . . . . 6385 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID pleckstrin common 6385 1 pleckstrin abbreviation 6385 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 0 MET . 6385 1 2 1 GLU . 6385 1 3 2 THR . 6385 1 4 3 ILE . 6385 1 5 4 ASP . 6385 1 6 5 LEU . 6385 1 7 6 GLY . 6385 1 8 7 ALA . 6385 1 9 8 LEU . 6385 1 10 9 TYR . 6385 1 11 10 LEU . 6385 1 12 11 SER . 6385 1 13 12 MET . 6385 1 14 13 LYS . 6385 1 15 14 ASP . 6385 1 16 15 THR . 6385 1 17 16 GLU . 6385 1 18 17 LYS . 6385 1 19 18 GLY . 6385 1 20 19 ILE . 6385 1 21 20 LYS . 6385 1 22 21 GLU . 6385 1 23 22 LEU . 6385 1 24 23 ASN . 6385 1 25 24 LEU . 6385 1 26 25 GLU . 6385 1 27 26 LYS . 6385 1 28 27 ASP . 6385 1 29 28 LYS . 6385 1 30 29 LYS . 6385 1 31 30 ILE . 6385 1 32 31 PHE . 6385 1 33 32 ASN . 6385 1 34 33 HIS . 6385 1 35 34 CYS . 6385 1 36 35 PHE . 6385 1 37 36 THR . 6385 1 38 37 GLY . 6385 1 39 38 ASN . 6385 1 40 39 CYS . 6385 1 41 40 VAL . 6385 1 42 41 ILE . 6385 1 43 42 ASP . 6385 1 44 43 TRP . 6385 1 45 44 LEU . 6385 1 46 45 VAL . 6385 1 47 46 SER . 6385 1 48 47 ASN . 6385 1 49 48 GLN . 6385 1 50 49 SER . 6385 1 51 50 VAL . 6385 1 52 51 ARG . 6385 1 53 52 ASN . 6385 1 54 53 ARG . 6385 1 55 54 GLN . 6385 1 56 55 GLU . 6385 1 57 56 GLY . 6385 1 58 57 LEU . 6385 1 59 58 MET . 6385 1 60 59 ILE . 6385 1 61 60 ALA . 6385 1 62 61 SER . 6385 1 63 62 SER . 6385 1 64 63 LEU . 6385 1 65 64 LEU . 6385 1 66 65 ASN . 6385 1 67 66 GLU . 6385 1 68 67 GLY . 6385 1 69 68 TYR . 6385 1 70 69 LEU . 6385 1 71 70 GLN . 6385 1 72 71 PRO . 6385 1 73 72 ALA . 6385 1 74 73 GLY . 6385 1 75 74 ASP . 6385 1 76 75 MET . 6385 1 77 76 SER . 6385 1 78 77 LYS . 6385 1 79 78 SER . 6385 1 80 79 ALA . 6385 1 81 80 VAL . 6385 1 82 81 ASP . 6385 1 83 82 GLY . 6385 1 84 83 THR . 6385 1 85 84 ALA . 6385 1 86 85 GLU . 6385 1 87 86 ASN . 6385 1 88 87 PRO . 6385 1 89 88 PHE . 6385 1 90 89 LEU . 6385 1 91 90 ASP . 6385 1 92 91 ASN . 6385 1 93 92 PRO . 6385 1 94 93 ASP . 6385 1 95 94 ALA . 6385 1 96 95 PHE . 6385 1 97 96 TYR . 6385 1 98 97 TYR . 6385 1 99 98 PHE . 6385 1 100 99 PRO . 6385 1 101 100 ASP . 6385 1 102 101 SER . 6385 1 103 102 GLY . 6385 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6385 1 . GLU 2 2 6385 1 . THR 3 3 6385 1 . ILE 4 4 6385 1 . ASP 5 5 6385 1 . LEU 6 6 6385 1 . GLY 7 7 6385 1 . ALA 8 8 6385 1 . LEU 9 9 6385 1 . TYR 10 10 6385 1 . LEU 11 11 6385 1 . SER 12 12 6385 1 . MET 13 13 6385 1 . LYS 14 14 6385 1 . ASP 15 15 6385 1 . THR 16 16 6385 1 . GLU 17 17 6385 1 . LYS 18 18 6385 1 . GLY 19 19 6385 1 . ILE 20 20 6385 1 . LYS 21 21 6385 1 . GLU 22 22 6385 1 . LEU 23 23 6385 1 . ASN 24 24 6385 1 . LEU 25 25 6385 1 . GLU 26 26 6385 1 . LYS 27 27 6385 1 . ASP 28 28 6385 1 . LYS 29 29 6385 1 . LYS 30 30 6385 1 . ILE 31 31 6385 1 . PHE 32 32 6385 1 . ASN 33 33 6385 1 . HIS 34 34 6385 1 . CYS 35 35 6385 1 . PHE 36 36 6385 1 . THR 37 37 6385 1 . GLY 38 38 6385 1 . ASN 39 39 6385 1 . CYS 40 40 6385 1 . VAL 41 41 6385 1 . ILE 42 42 6385 1 . ASP 43 43 6385 1 . TRP 44 44 6385 1 . LEU 45 45 6385 1 . VAL 46 46 6385 1 . SER 47 47 6385 1 . ASN 48 48 6385 1 . GLN 49 49 6385 1 . SER 50 50 6385 1 . VAL 51 51 6385 1 . ARG 52 52 6385 1 . ASN 53 53 6385 1 . ARG 54 54 6385 1 . GLN 55 55 6385 1 . GLU 56 56 6385 1 . GLY 57 57 6385 1 . LEU 58 58 6385 1 . MET 59 59 6385 1 . ILE 60 60 6385 1 . ALA 61 61 6385 1 . SER 62 62 6385 1 . SER 63 63 6385 1 . LEU 64 64 6385 1 . LEU 65 65 6385 1 . ASN 66 66 6385 1 . GLU 67 67 6385 1 . GLY 68 68 6385 1 . TYR 69 69 6385 1 . LEU 70 70 6385 1 . GLN 71 71 6385 1 . PRO 72 72 6385 1 . ALA 73 73 6385 1 . GLY 74 74 6385 1 . ASP 75 75 6385 1 . MET 76 76 6385 1 . SER 77 77 6385 1 . LYS 78 78 6385 1 . SER 79 79 6385 1 . ALA 80 80 6385 1 . VAL 81 81 6385 1 . ASP 82 82 6385 1 . GLY 83 83 6385 1 . THR 84 84 6385 1 . ALA 85 85 6385 1 . GLU 86 86 6385 1 . ASN 87 87 6385 1 . PRO 88 88 6385 1 . PHE 89 89 6385 1 . LEU 90 90 6385 1 . ASP 91 91 6385 1 . ASN 92 92 6385 1 . PRO 93 93 6385 1 . ASP 94 94 6385 1 . ALA 95 95 6385 1 . PHE 96 96 6385 1 . TYR 97 97 6385 1 . TYR 98 98 6385 1 . PHE 99 99 6385 1 . PRO 100 100 6385 1 . ASP 101 101 6385 1 . SER 102 102 6385 1 . GLY 103 103 6385 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 6385 _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 $DEP_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6385 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 6385 _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 $DEP_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6385 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6385 _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 pleckstrin '[U-13C; U-15N]' . . 1 $DEP_monomer . . . 0.5 1.5 mM . . . . 6385 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6385 _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 6.5 0.2 n/a 6385 1 temperature 295 0.2 K 6385 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6385 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6385 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6385 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DRX . 500 . . . 6385 1 2 NMR_spectrometer_2 BRUKER DRX . 600 . . . 6385 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6385 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 3 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 4 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 7 H(CC)(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 8 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 9 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 10 HBCBCCDHD . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 11 HBCBCCDCEHE . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 12 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 13 2DNOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6385 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-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 . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 3 _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 . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _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 . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _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 . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 6 _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 . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CC)(CO)NH _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 . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH _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 . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBCBCCDHD _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 . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HBCBCCDCEHE _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 . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6385 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 2DNOESY _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 . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6385 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6385 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6385 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6385 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_SHIFT_SET_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHIFT_SET_1 _Assigned_chem_shift_list.Entry_ID 6385 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6385 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 53.978 0.000 . 1 . . . . . . . . 6385 1 2 . 1 1 1 1 MET HA H 1 4.414 0.003 . 1 . . . . . . . . 6385 1 3 . 1 1 1 1 MET CB C 13 30.163 0.000 . 1 . . . . . . . . 6385 1 4 . 1 1 1 1 MET HB2 H 1 2.068 0.003 . 1 . . . . . . . . 6385 1 5 . 1 1 2 2 GLU CA C 13 55.014 0.000 . 1 . . . . . . . . 6385 1 6 . 1 1 2 2 GLU HA H 1 4.298 0.010 . 1 . . . . . . . . 6385 1 7 . 1 1 2 2 GLU CB C 13 27.575 0.000 . 1 . . . . . . . . 6385 1 8 . 1 1 2 2 GLU HB2 H 1 2.091 0.007 . 1 . . . . . . . . 6385 1 9 . 1 1 2 2 GLU HB3 H 1 2.041 0.000 . 1 . . . . . . . . 6385 1 10 . 1 1 2 2 GLU CG C 13 34.305 0.000 . 1 . . . . . . . . 6385 1 11 . 1 1 2 2 GLU HG2 H 1 2.301 0.002 . 1 . . . . . . . . 6385 1 12 . 1 1 3 3 THR HA H 1 4.258 0.000 . 1 . . . . . . . . 6385 1 13 . 1 1 3 3 THR CB C 13 67.260 0.000 . 1 . . . . . . . . 6385 1 14 . 1 1 3 3 THR HB H 1 4.280 0.000 . 1 . . . . . . . . 6385 1 15 . 1 1 3 3 THR HG21 H 1 1.201 0.002 . 1 . . . . . . . . 6385 1 16 . 1 1 3 3 THR HG22 H 1 1.201 0.002 . 1 . . . . . . . . 6385 1 17 . 1 1 3 3 THR HG23 H 1 1.201 0.002 . 1 . . . . . . . . 6385 1 18 . 1 1 3 3 THR CG2 C 13 19.651 0.000 . 1 . . . . . . . . 6385 1 19 . 1 1 4 4 ILE CA C 13 58.638 0.000 . 1 . . . . . . . . 6385 1 20 . 1 1 4 4 ILE HA H 1 4.106 0.000 . 1 . . . . . . . . 6385 1 21 . 1 1 4 4 ILE CB C 13 37.243 0.000 . 1 . . . . . . . . 6385 1 22 . 1 1 4 4 ILE HB H 1 1.817 0.000 . 1 . . . . . . . . 6385 1 23 . 1 1 4 4 ILE HG21 H 1 0.818 0.000 . 1 . . . . . . . . 6385 1 24 . 1 1 4 4 ILE HG22 H 1 0.818 0.000 . 1 . . . . . . . . 6385 1 25 . 1 1 4 4 ILE HG23 H 1 0.818 0.000 . 1 . . . . . . . . 6385 1 26 . 1 1 4 4 ILE CG2 C 13 15.150 0.000 . 1 . . . . . . . . 6385 1 27 . 1 1 4 4 ILE CG1 C 13 25.504 0.000 . 1 . . . . . . . . 6385 1 28 . 1 1 4 4 ILE HG12 H 1 1.539 0.000 . 1 . . . . . . . . 6385 1 29 . 1 1 4 4 ILE HG13 H 1 1.155 0.000 . 1 . . . . . . . . 6385 1 30 . 1 1 4 4 ILE HD11 H 1 0.885 0.000 . 1 . . . . . . . . 6385 1 31 . 1 1 4 4 ILE HD12 H 1 0.885 0.000 . 1 . . . . . . . . 6385 1 32 . 1 1 4 4 ILE HD13 H 1 0.885 0.000 . 1 . . . . . . . . 6385 1 33 . 1 1 4 4 ILE CD1 C 13 10.490 0.000 . 1 . . . . . . . . 6385 1 34 . 1 1 5 5 ASP CA C 13 50.755 0.000 . 1 . . . . . . . . 6385 1 35 . 1 1 5 5 ASP HA H 1 4.725 0.000 . 1 . . . . . . . . 6385 1 36 . 1 1 5 5 ASP CB C 13 38.695 0.000 . 1 . . . . . . . . 6385 1 37 . 1 1 5 5 ASP HB2 H 1 2.921 0.000 . 1 . . . . . . . . 6385 1 38 . 1 1 5 5 ASP HB3 H 1 2.580 0.016 . 1 . . . . . . . . 6385 1 39 . 1 1 6 6 LEU CA C 13 55.078 0.000 . 1 . . . . . . . . 6385 1 40 . 1 1 6 6 LEU HA H 1 3.836 0.004 . 1 . . . . . . . . 6385 1 41 . 1 1 6 6 LEU CB C 13 39.093 0.000 . 1 . . . . . . . . 6385 1 42 . 1 1 6 6 LEU HB2 H 1 1.817 0.000 . 1 . . . . . . . . 6385 1 43 . 1 1 6 6 LEU HB3 H 1 1.266 0.000 . 1 . . . . . . . . 6385 1 44 . 1 1 6 6 LEU CG C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 45 . 1 1 6 6 LEU HG H 1 1.818 0.000 . 1 . . . . . . . . 6385 1 46 . 1 1 6 6 LEU HD11 H 1 0.943 0.000 . 1 . . . . . . . . 6385 1 47 . 1 1 6 6 LEU HD12 H 1 0.943 0.000 . 1 . . . . . . . . 6385 1 48 . 1 1 6 6 LEU HD13 H 1 0.943 0.000 . 1 . . . . . . . . 6385 1 49 . 1 1 6 6 LEU HD21 H 1 0.758 0.000 . 1 . . . . . . . . 6385 1 50 . 1 1 6 6 LEU HD22 H 1 0.758 0.000 . 1 . . . . . . . . 6385 1 51 . 1 1 6 6 LEU HD23 H 1 0.758 0.000 . 1 . . . . . . . . 6385 1 52 . 1 1 6 6 LEU CD1 C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 53 . 1 1 6 6 LEU CD2 C 13 20.327 0.000 . 1 . . . . . . . . 6385 1 54 . 1 1 7 7 GLY CA C 13 45.207 0.000 . 1 . . . . . . . . 6385 1 55 . 1 1 7 7 GLY HA2 H 1 3.922 0.000 . 1 . . . . . . . . 6385 1 56 . 1 1 7 7 GLY HA3 H 1 3.539 0.001 . 1 . . . . . . . . 6385 1 57 . 1 1 8 8 ALA CA C 13 52.133 0.000 . 1 . . . . . . . . 6385 1 58 . 1 1 8 8 ALA HA H 1 4.125 0.004 . 1 . . . . . . . . 6385 1 59 . 1 1 8 8 ALA HB1 H 1 1.417 0.003 . 1 . . . . . . . . 6385 1 60 . 1 1 8 8 ALA HB2 H 1 1.417 0.003 . 1 . . . . . . . . 6385 1 61 . 1 1 8 8 ALA HB3 H 1 1.417 0.003 . 1 . . . . . . . . 6385 1 62 . 1 1 8 8 ALA CB C 13 16.263 0.000 . 1 . . . . . . . . 6385 1 63 . 1 1 9 9 LEU CA C 13 55.532 0.000 . 1 . . . . . . . . 6385 1 64 . 1 1 9 9 LEU HA H 1 4.130 0.000 . 1 . . . . . . . . 6385 1 65 . 1 1 9 9 LEU CB C 13 40.078 0.000 . 1 . . . . . . . . 6385 1 66 . 1 1 9 9 LEU HB2 H 1 1.773 0.003 . 1 . . . . . . . . 6385 1 67 . 1 1 9 9 LEU HB3 H 1 1.661 0.000 . 1 . . . . . . . . 6385 1 68 . 1 1 9 9 LEU CG C 13 24.499 0.000 . 1 . . . . . . . . 6385 1 69 . 1 1 9 9 LEU HG H 1 0.875 0.005 . 1 . . . . . . . . 6385 1 70 . 1 1 9 9 LEU HD11 H 1 1.042 0.000 . 1 . . . . . . . . 6385 1 71 . 1 1 9 9 LEU HD12 H 1 1.042 0.000 . 1 . . . . . . . . 6385 1 72 . 1 1 9 9 LEU HD13 H 1 1.042 0.000 . 1 . . . . . . . . 6385 1 73 . 1 1 9 9 LEU HD21 H 1 0.728 0.000 . 1 . . . . . . . . 6385 1 74 . 1 1 9 9 LEU HD22 H 1 0.728 0.000 . 1 . . . . . . . . 6385 1 75 . 1 1 9 9 LEU HD23 H 1 0.728 0.000 . 1 . . . . . . . . 6385 1 76 . 1 1 9 9 LEU CD1 C 13 21.440 0.000 . 1 . . . . . . . . 6385 1 77 . 1 1 10 10 TYR CA C 13 58.120 0.000 . 1 . . . . . . . . 6385 1 78 . 1 1 10 10 TYR HA H 1 3.967 0.004 . 1 . . . . . . . . 6385 1 79 . 1 1 10 10 TYR CB C 13 35.850 0.000 . 1 . . . . . . . . 6385 1 80 . 1 1 10 10 TYR HB2 H 1 2.801 0.002 . 1 . . . . . . . . 6385 1 81 . 1 1 10 10 TYR HB3 H 1 2.467 0.002 . 1 . . . . . . . . 6385 1 82 . 1 1 10 10 TYR HD1 H 1 6.908 0.000 . 1 . . . . . . . . 6385 1 83 . 1 1 10 10 TYR HE1 H 1 6.837 0.003 . 1 . . . . . . . . 6385 1 84 . 1 1 10 10 TYR CD1 C 13 130.668 0.000 . 1 . . . . . . . . 6385 1 85 . 1 1 10 10 TYR CE1 C 13 100.654 0.000 . 1 . . . . . . . . 6385 1 86 . 1 1 11 11 LEU CA C 13 56.127 0.000 . 1 . . . . . . . . 6385 1 87 . 1 1 11 11 LEU HA H 1 3.439 0.004 . 1 . . . . . . . . 6385 1 88 . 1 1 11 11 LEU CB C 13 38.867 0.000 . 1 . . . . . . . . 6385 1 89 . 1 1 11 11 LEU HB2 H 1 1.793 0.005 . 1 . . . . . . . . 6385 1 90 . 1 1 11 11 LEU HB3 H 1 1.396 0.000 . 1 . . . . . . . . 6385 1 91 . 1 1 11 11 LEU CG C 13 20.327 0.000 . 1 . . . . . . . . 6385 1 92 . 1 1 11 11 LEU HG H 1 0.758 0.000 . 1 . . . . . . . . 6385 1 93 . 1 1 11 11 LEU HD11 H 1 0.886 0.000 . 1 . . . . . . . . 6385 1 94 . 1 1 11 11 LEU HD12 H 1 0.886 0.000 . 1 . . . . . . . . 6385 1 95 . 1 1 11 11 LEU HD13 H 1 0.886 0.000 . 1 . . . . . . . . 6385 1 96 . 1 1 11 11 LEU CD1 C 13 22.915 0.000 . 1 . . . . . . . . 6385 1 97 . 1 1 12 12 SER CA C 13 59.673 0.000 . 1 . . . . . . . . 6385 1 98 . 1 1 12 12 SER HA H 1 4.251 0.000 . 1 . . . . . . . . 6385 1 99 . 1 1 12 12 SER CB C 13 60.700 0.000 . 1 . . . . . . . . 6385 1 100 . 1 1 12 12 SER HB2 H 1 4.258 0.000 . 1 . . . . . . . . 6385 1 101 . 1 1 12 12 SER HB3 H 1 4.130 0.000 . 1 . . . . . . . . 6385 1 102 . 1 1 13 13 MET CA C 13 56.567 0.000 . 1 . . . . . . . . 6385 1 103 . 1 1 13 13 MET HA H 1 2.886 0.000 . 1 . . . . . . . . 6385 1 104 . 1 1 13 13 MET CB C 13 31.199 0.000 . 1 . . . . . . . . 6385 1 105 . 1 1 13 13 MET HB2 H 1 1.761 0.002 . 1 . . . . . . . . 6385 1 106 . 1 1 13 13 MET HB3 H 1 1.501 0.004 . 1 . . . . . . . . 6385 1 107 . 1 1 13 13 MET CG C 13 30.500 0.000 . 1 . . . . . . . . 6385 1 108 . 1 1 13 13 MET HG2 H 1 2.039 0.000 . 1 . . . . . . . . 6385 1 109 . 1 1 13 13 MET HG3 H 1 1.045 0.002 . 1 . . . . . . . . 6385 1 110 . 1 1 13 13 MET HE1 H 1 1.754 0.000 . 1 . . . . . . . . 6385 1 111 . 1 1 13 13 MET HE2 H 1 1.754 0.000 . 1 . . . . . . . . 6385 1 112 . 1 1 13 13 MET HE3 H 1 1.754 0.000 . 1 . . . . . . . . 6385 1 113 . 1 1 13 13 MET CE C 13 15.228 0.000 . 1 . . . . . . . . 6385 1 114 . 1 1 14 14 LYS CA C 13 52.943 0.000 . 1 . . . . . . . . 6385 1 115 . 1 1 14 14 LYS HA H 1 3.864 0.002 . 1 . . . . . . . . 6385 1 116 . 1 1 14 14 LYS CB C 13 29.185 0.000 . 1 . . . . . . . . 6385 1 117 . 1 1 14 14 LYS HB2 H 1 1.126 0.003 . 1 . . . . . . . . 6385 1 118 . 1 1 14 14 LYS CG C 13 20.845 0.000 . 1 . . . . . . . . 6385 1 119 . 1 1 14 14 LYS HG2 H 1 0.530 0.000 . 1 . . . . . . . . 6385 1 120 . 1 1 14 14 LYS HG3 H 1 0.448 0.000 . 1 . . . . . . . . 6385 1 121 . 1 1 14 14 LYS CD C 13 26.022 0.000 . 1 . . . . . . . . 6385 1 122 . 1 1 14 14 LYS HD2 H 1 0.804 0.000 . 1 . . . . . . . . 6385 1 123 . 1 1 14 14 LYS CE C 13 38.784 0.000 . 1 . . . . . . . . 6385 1 124 . 1 1 14 14 LYS HE2 H 1 2.574 0.003 . 1 . . . . . . . . 6385 1 125 . 1 1 14 14 LYS HE3 H 1 2.427 0.002 . 1 . . . . . . . . 6385 1 126 . 1 1 15 15 ASP CA C 13 52.943 0.000 . 1 . . . . . . . . 6385 1 127 . 1 1 15 15 ASP HA H 1 4.359 0.000 . 1 . . . . . . . . 6385 1 128 . 1 1 15 15 ASP CB C 13 41.974 0.000 . 1 . . . . . . . . 6385 1 129 . 1 1 15 15 ASP HB2 H 1 2.748 0.005 . 1 . . . . . . . . 6385 1 130 . 1 1 15 15 ASP HB3 H 1 2.599 0.000 . 1 . . . . . . . . 6385 1 131 . 1 1 16 16 THR CA C 13 62.918 0.000 . 1 . . . . . . . . 6385 1 132 . 1 1 16 16 THR HA H 1 3.967 0.000 . 1 . . . . . . . . 6385 1 133 . 1 1 16 16 THR CB C 13 66.696 0.000 . 1 . . . . . . . . 6385 1 134 . 1 1 16 16 THR HB H 1 4.275 0.000 . 1 . . . . . . . . 6385 1 135 . 1 1 16 16 THR HG21 H 1 1.337 0.000 . 1 . . . . . . . . 6385 1 136 . 1 1 16 16 THR HG22 H 1 1.337 0.000 . 1 . . . . . . . . 6385 1 137 . 1 1 16 16 THR HG23 H 1 1.337 0.000 . 1 . . . . . . . . 6385 1 138 . 1 1 16 16 THR CG2 C 13 19.901 0.000 . 1 . . . . . . . . 6385 1 139 . 1 1 17 17 GLU CA C 13 56.049 0.000 . 1 . . . . . . . . 6385 1 140 . 1 1 17 17 GLU HA H 1 4.476 0.000 . 1 . . . . . . . . 6385 1 141 . 1 1 17 17 GLU CB C 13 28.905 0.000 . 1 . . . . . . . . 6385 1 142 . 1 1 17 17 GLU HB2 H 1 2.123 0.000 . 1 . . . . . . . . 6385 1 143 . 1 1 17 17 GLU CG C 13 34.305 0.000 . 1 . . . . . . . . 6385 1 144 . 1 1 17 17 GLU HG2 H 1 2.307 0.000 . 1 . . . . . . . . 6385 1 145 . 1 1 17 17 GLU HG3 H 1 2.203 0.000 . 1 . . . . . . . . 6385 1 146 . 1 1 18 18 LYS CA C 13 53.978 0.000 . 1 . . . . . . . . 6385 1 147 . 1 1 18 18 LYS HA H 1 4.652 0.000 . 1 . . . . . . . . 6385 1 148 . 1 1 18 18 LYS CB C 13 31.278 0.000 . 1 . . . . . . . . 6385 1 149 . 1 1 18 18 LYS HB2 H 1 2.127 0.000 . 1 . . . . . . . . 6385 1 150 . 1 1 18 18 LYS HB3 H 1 1.865 0.000 . 1 . . . . . . . . 6385 1 151 . 1 1 18 18 LYS CG C 13 22.398 0.000 . 1 . . . . . . . . 6385 1 152 . 1 1 18 18 LYS HG2 H 1 1.447 0.000 . 1 . . . . . . . . 6385 1 153 . 1 1 18 18 LYS CD C 13 27.178 0.000 . 1 . . . . . . . . 6385 1 154 . 1 1 18 18 LYS HD2 H 1 1.708 0.000 . 1 . . . . . . . . 6385 1 155 . 1 1 18 18 LYS CE C 13 39.558 0.000 . 1 . . . . . . . . 6385 1 156 . 1 1 18 18 LYS HE2 H 1 3.001 0.000 . 1 . . . . . . . . 6385 1 157 . 1 1 19 19 GLY CA C 13 42.667 0.000 . 1 . . . . . . . . 6385 1 158 . 1 1 19 19 GLY HA2 H 1 4.304 0.000 . 1 . . . . . . . . 6385 1 159 . 1 1 19 19 GLY HA3 H 1 4.003 0.000 . 1 . . . . . . . . 6385 1 160 . 1 1 20 20 ILE CA C 13 58.457 0.000 . 1 . . . . . . . . 6385 1 161 . 1 1 20 20 ILE HA H 1 3.638 0.000 . 1 . . . . . . . . 6385 1 162 . 1 1 20 20 ILE CB C 13 36.342 0.000 . 1 . . . . . . . . 6385 1 163 . 1 1 20 20 ILE HB H 1 0.959 0.000 . 1 . . . . . . . . 6385 1 164 . 1 1 20 20 ILE HG21 H 1 0.183 0.000 . 1 . . . . . . . . 6385 1 165 . 1 1 20 20 ILE HG22 H 1 0.183 0.000 . 1 . . . . . . . . 6385 1 166 . 1 1 20 20 ILE HG23 H 1 0.183 0.000 . 1 . . . . . . . . 6385 1 167 . 1 1 20 20 ILE CG2 C 13 12.123 0.000 . 1 . . . . . . . . 6385 1 168 . 1 1 20 20 ILE CG1 C 13 25.504 0.000 . 1 . . . . . . . . 6385 1 169 . 1 1 20 20 ILE HG12 H 1 0.700 0.000 . 1 . . . . . . . . 6385 1 170 . 1 1 20 20 ILE HG13 H 1 0.467 0.000 . 1 . . . . . . . . 6385 1 171 . 1 1 20 20 ILE HD11 H 1 0.051 0.000 . 1 . . . . . . . . 6385 1 172 . 1 1 20 20 ILE HD12 H 1 0.051 0.000 . 1 . . . . . . . . 6385 1 173 . 1 1 20 20 ILE HD13 H 1 0.051 0.000 . 1 . . . . . . . . 6385 1 174 . 1 1 20 20 ILE CD1 C 13 14.114 0.000 . 1 . . . . . . . . 6385 1 175 . 1 1 21 21 LYS CA C 13 52.943 0.000 . 1 . . . . . . . . 6385 1 176 . 1 1 21 21 LYS HA H 1 4.391 0.000 . 1 . . . . . . . . 6385 1 177 . 1 1 21 21 LYS CB C 13 29.858 0.000 . 1 . . . . . . . . 6385 1 178 . 1 1 21 21 LYS HB2 H 1 1.843 0.000 . 1 . . . . . . . . 6385 1 179 . 1 1 21 21 LYS CG C 13 21.880 0.000 . 1 . . . . . . . . 6385 1 180 . 1 1 21 21 LYS HG2 H 1 1.518 0.000 . 1 . . . . . . . . 6385 1 181 . 1 1 21 21 LYS CD C 13 26.100 0.000 . 1 . . . . . . . . 6385 1 182 . 1 1 21 21 LYS HD2 H 1 1.729 0.000 . 1 . . . . . . . . 6385 1 183 . 1 1 21 21 LYS CE C 13 40.601 0.000 . 1 . . . . . . . . 6385 1 184 . 1 1 21 21 LYS HE2 H 1 3.079 0.000 . 1 . . . . . . . . 6385 1 185 . 1 1 22 22 GLU CA C 13 53.978 0.000 . 1 . . . . . . . . 6385 1 186 . 1 1 22 22 GLU HA H 1 4.476 0.000 . 1 . . . . . . . . 6385 1 187 . 1 1 22 22 GLU CB C 13 28.610 0.000 . 1 . . . . . . . . 6385 1 188 . 1 1 22 22 GLU HB2 H 1 2.109 0.000 . 1 . . . . . . . . 6385 1 189 . 1 1 22 22 GLU HB3 H 1 1.927 0.000 . 1 . . . . . . . . 6385 1 190 . 1 1 22 22 GLU CG C 13 34.305 0.000 . 1 . . . . . . . . 6385 1 191 . 1 1 22 22 GLU HG2 H 1 2.477 0.002 . 1 . . . . . . . . 6385 1 192 . 1 1 22 22 GLU HG3 H 1 2.380 0.001 . 1 . . . . . . . . 6385 1 193 . 1 1 23 23 LEU CA C 13 52.425 0.000 . 1 . . . . . . . . 6385 1 194 . 1 1 23 23 LEU HA H 1 4.622 0.000 . 1 . . . . . . . . 6385 1 195 . 1 1 23 23 LEU CB C 13 42.589 0.000 . 1 . . . . . . . . 6385 1 196 . 1 1 23 23 LEU HB2 H 1 1.753 0.000 . 1 . . . . . . . . 6385 1 197 . 1 1 23 23 LEU HB3 H 1 1.515 0.000 . 1 . . . . . . . . 6385 1 198 . 1 1 23 23 LEU CG C 13 23.950 0.000 . 1 . . . . . . . . 6385 1 199 . 1 1 23 23 LEU HG H 1 1.036 0.009 . 1 . . . . . . . . 6385 1 200 . 1 1 23 23 LEU HD11 H 1 0.965 0.000 . 1 . . . . . . . . 6385 1 201 . 1 1 23 23 LEU HD12 H 1 0.965 0.000 . 1 . . . . . . . . 6385 1 202 . 1 1 23 23 LEU HD13 H 1 0.965 0.000 . 1 . . . . . . . . 6385 1 203 . 1 1 23 23 LEU HD21 H 1 0.753 0.000 . 1 . . . . . . . . 6385 1 204 . 1 1 23 23 LEU HD22 H 1 0.753 0.000 . 1 . . . . . . . . 6385 1 205 . 1 1 23 23 LEU HD23 H 1 0.753 0.000 . 1 . . . . . . . . 6385 1 206 . 1 1 23 23 LEU CD1 C 13 21.362 0.000 . 1 . . . . . . . . 6385 1 207 . 1 1 23 23 LEU CD2 C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 208 . 1 1 24 24 ASN CA C 13 50.432 0.000 . 1 . . . . . . . . 6385 1 209 . 1 1 24 24 ASN HA H 1 5.216 0.001 . 1 . . . . . . . . 6385 1 210 . 1 1 24 24 ASN CB C 13 35.936 0.000 . 1 . . . . . . . . 6385 1 211 . 1 1 24 24 ASN HB2 H 1 2.755 0.000 . 1 . . . . . . . . 6385 1 212 . 1 1 24 24 ASN HB3 H 1 2.682 0.000 . 1 . . . . . . . . 6385 1 213 . 1 1 25 25 LEU CA C 13 51.986 0.000 . 1 . . . . . . . . 6385 1 214 . 1 1 25 25 LEU HA H 1 4.462 0.000 . 1 . . . . . . . . 6385 1 215 . 1 1 25 25 LEU CB C 13 42.070 0.000 . 1 . . . . . . . . 6385 1 216 . 1 1 25 25 LEU HB2 H 1 1.299 0.000 . 1 . . . . . . . . 6385 1 217 . 1 1 25 25 LEU CG C 13 20.845 0.000 . 1 . . . . . . . . 6385 1 218 . 1 1 25 25 LEU HG H 1 0.764 0.000 . 1 . . . . . . . . 6385 1 219 . 1 1 25 25 LEU HD11 H 1 0.460 0.000 . 1 . . . . . . . . 6385 1 220 . 1 1 25 25 LEU HD12 H 1 0.460 0.000 . 1 . . . . . . . . 6385 1 221 . 1 1 25 25 LEU HD13 H 1 0.460 0.000 . 1 . . . . . . . . 6385 1 222 . 1 1 25 25 LEU HD21 H 1 1.368 0.000 . 1 . . . . . . . . 6385 1 223 . 1 1 25 25 LEU HD22 H 1 1.368 0.000 . 1 . . . . . . . . 6385 1 224 . 1 1 25 25 LEU HD23 H 1 1.368 0.000 . 1 . . . . . . . . 6385 1 225 . 1 1 25 25 LEU CD1 C 13 22.915 0.000 . 1 . . . . . . . . 6385 1 226 . 1 1 25 25 LEU CD2 C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 227 . 1 1 26 26 GLU CA C 13 53.461 0.000 . 1 . . . . . . . . 6385 1 228 . 1 1 26 26 GLU HA H 1 4.883 0.000 . 1 . . . . . . . . 6385 1 229 . 1 1 26 26 GLU CB C 13 29.128 0.000 . 1 . . . . . . . . 6385 1 230 . 1 1 26 26 GLU HB2 H 1 1.991 0.000 . 1 . . . . . . . . 6385 1 231 . 1 1 26 26 GLU HB3 H 1 1.868 0.000 . 1 . . . . . . . . 6385 1 232 . 1 1 26 26 GLU CG C 13 34.305 0.000 . 1 . . . . . . . . 6385 1 233 . 1 1 26 26 GLU HG2 H 1 2.090 0.000 . 1 . . . . . . . . 6385 1 234 . 1 1 27 27 LYS CA C 13 54.184 0.000 . 1 . . . . . . . . 6385 1 235 . 1 1 27 27 LYS HA H 1 4.366 0.000 . 1 . . . . . . . . 6385 1 236 . 1 1 27 27 LYS CB C 13 32.234 0.000 . 1 . . . . . . . . 6385 1 237 . 1 1 27 27 LYS HB2 H 1 1.830 0.006 . 1 . . . . . . . . 6385 1 238 . 1 1 27 27 LYS CG C 13 22.536 0.000 . 1 . . . . . . . . 6385 1 239 . 1 1 27 27 LYS HG2 H 1 1.369 0.000 . 1 . . . . . . . . 6385 1 240 . 1 1 27 27 LYS CD C 13 26.540 0.000 . 1 . . . . . . . . 6385 1 241 . 1 1 27 27 LYS HD2 H 1 1.601 0.000 . 1 . . . . . . . . 6385 1 242 . 1 1 27 27 LYS CE C 13 39.482 0.000 . 1 . . . . . . . . 6385 1 243 . 1 1 27 27 LYS HE2 H 1 2.849 0.000 . 1 . . . . . . . . 6385 1 244 . 1 1 28 28 ASP CA C 13 51.986 0.000 . 1 . . . . . . . . 6385 1 245 . 1 1 28 28 ASP HA H 1 4.744 0.000 . 1 . . . . . . . . 6385 1 246 . 1 1 28 28 ASP CB C 13 39.043 0.000 . 1 . . . . . . . . 6385 1 247 . 1 1 28 28 ASP HB2 H 1 2.804 0.000 . 1 . . . . . . . . 6385 1 248 . 1 1 29 29 LYS CA C 13 55.014 0.000 . 1 . . . . . . . . 6385 1 249 . 1 1 29 29 LYS HA H 1 3.991 0.000 . 1 . . . . . . . . 6385 1 250 . 1 1 29 29 LYS CB C 13 29.128 0.000 . 1 . . . . . . . . 6385 1 251 . 1 1 29 29 LYS HB2 H 1 1.953 0.000 . 1 . . . . . . . . 6385 1 252 . 1 1 29 29 LYS CG C 13 23.433 0.000 . 1 . . . . . . . . 6385 1 253 . 1 1 29 29 LYS HG2 H 1 1.424 0.000 . 1 . . . . . . . . 6385 1 254 . 1 1 29 29 LYS CD C 13 26.540 0.000 . 1 . . . . . . . . 6385 1 255 . 1 1 29 29 LYS HD2 H 1 1.665 0.000 . 1 . . . . . . . . 6385 1 256 . 1 1 29 29 LYS CE C 13 39.482 0.000 . 1 . . . . . . . . 6385 1 257 . 1 1 29 29 LYS HE2 H 1 2.985 0.004 . 1 . . . . . . . . 6385 1 258 . 1 1 30 30 LYS CA C 13 54.056 0.000 . 1 . . . . . . . . 6385 1 259 . 1 1 30 30 LYS HA H 1 4.255 0.000 . 1 . . . . . . . . 6385 1 260 . 1 1 30 30 LYS CB C 13 31.199 0.000 . 1 . . . . . . . . 6385 1 261 . 1 1 30 30 LYS HB2 H 1 1.792 0.000 . 1 . . . . . . . . 6385 1 262 . 1 1 30 30 LYS HB3 H 1 1.622 0.004 . 1 . . . . . . . . 6385 1 263 . 1 1 30 30 LYS CG C 13 22.398 0.000 . 1 . . . . . . . . 6385 1 264 . 1 1 30 30 LYS HG2 H 1 1.336 0.000 . 1 . . . . . . . . 6385 1 265 . 1 1 30 30 LYS HG3 H 1 1.215 0.000 . 1 . . . . . . . . 6385 1 266 . 1 1 30 30 LYS CD C 13 26.540 0.000 . 1 . . . . . . . . 6385 1 267 . 1 1 30 30 LYS HD2 H 1 1.632 0.000 . 1 . . . . . . . . 6385 1 268 . 1 1 30 30 LYS CE C 13 39.482 0.000 . 1 . . . . . . . . 6385 1 269 . 1 1 30 30 LYS HE2 H 1 2.923 0.000 . 1 . . . . . . . . 6385 1 270 . 1 1 31 31 ILE CA C 13 58.120 0.000 . 1 . . . . . . . . 6385 1 271 . 1 1 31 31 ILE HA H 1 4.201 0.000 . 1 . . . . . . . . 6385 1 272 . 1 1 31 31 ILE CB C 13 36.454 0.000 . 1 . . . . . . . . 6385 1 273 . 1 1 31 31 ILE HB H 1 1.526 0.000 . 1 . . . . . . . . 6385 1 274 . 1 1 31 31 ILE HG21 H 1 0.555 0.000 . 1 . . . . . . . . 6385 1 275 . 1 1 31 31 ILE HG22 H 1 0.555 0.000 . 1 . . . . . . . . 6385 1 276 . 1 1 31 31 ILE HG23 H 1 0.555 0.000 . 1 . . . . . . . . 6385 1 277 . 1 1 31 31 ILE CG2 C 13 15.150 0.000 . 1 . . . . . . . . 6385 1 278 . 1 1 31 31 ILE CG1 C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 279 . 1 1 31 31 ILE HG12 H 1 1.189 0.000 . 1 . . . . . . . . 6385 1 280 . 1 1 31 31 ILE HG13 H 1 0.941 0.000 . 1 . . . . . . . . 6385 1 281 . 1 1 31 31 ILE HD11 H 1 0.658 0.000 . 1 . . . . . . . . 6385 1 282 . 1 1 31 31 ILE HD12 H 1 0.658 0.000 . 1 . . . . . . . . 6385 1 283 . 1 1 31 31 ILE HD13 H 1 0.658 0.000 . 1 . . . . . . . . 6385 1 284 . 1 1 31 31 ILE CD1 C 13 10.568 0.000 . 1 . . . . . . . . 6385 1 285 . 1 1 32 32 PHE CA C 13 55.092 0.000 . 1 . . . . . . . . 6385 1 286 . 1 1 32 32 PHE HA H 1 4.435 0.000 . 1 . . . . . . . . 6385 1 287 . 1 1 32 32 PHE CB C 13 36.978 0.000 . 1 . . . . . . . . 6385 1 288 . 1 1 32 32 PHE HB2 H 1 2.998 0.000 . 1 . . . . . . . . 6385 1 289 . 1 1 32 32 PHE HB3 H 1 2.581 0.003 . 1 . . . . . . . . 6385 1 290 . 1 1 32 32 PHE HD1 H 1 6.952 0.000 . 1 . . . . . . . . 6385 1 291 . 1 1 32 32 PHE HE1 H 1 7.136 0.004 . 1 . . . . . . . . 6385 1 292 . 1 1 32 32 PHE CD1 C 13 129.275 0.000 . 1 . . . . . . . . 6385 1 293 . 1 1 32 32 PHE CE1 C 13 126.890 0.000 . 1 . . . . . . . . 6385 1 294 . 1 1 32 32 PHE CZ C 13 128.340 0.000 . 1 . . . . . . . . 6385 1 295 . 1 1 32 32 PHE HZ H 1 7.155 0.012 . 1 . . . . . . . . 6385 1 296 . 1 1 33 33 ASN CA C 13 51.390 0.000 . 1 . . . . . . . . 6385 1 297 . 1 1 33 33 ASN HA H 1 4.669 0.000 . 1 . . . . . . . . 6385 1 298 . 1 1 33 33 ASN CB C 13 36.972 0.000 . 1 . . . . . . . . 6385 1 299 . 1 1 33 33 ASN HB2 H 1 2.482 0.000 . 1 . . . . . . . . 6385 1 300 . 1 1 33 33 ASN HB3 H 1 2.397 0.000 . 1 . . . . . . . . 6385 1 301 . 1 1 34 34 HIS CA C 13 53.978 0.000 . 1 . . . . . . . . 6385 1 302 . 1 1 34 34 HIS HA H 1 4.344 0.000 . 1 . . . . . . . . 6385 1 303 . 1 1 34 34 HIS CB C 13 25.504 0.000 . 1 . . . . . . . . 6385 1 304 . 1 1 34 34 HIS HB2 H 1 3.397 0.000 . 1 . . . . . . . . 6385 1 305 . 1 1 34 34 HIS CD2 C 13 51.908 0.000 . 1 . . . . . . . . 6385 1 306 . 1 1 34 34 HIS CE1 C 13 68.552 0.000 . 1 . . . . . . . . 6385 1 307 . 1 1 34 34 HIS HD2 H 1 7.249 0.007 . 1 . . . . . . . . 6385 1 308 . 1 1 34 34 HIS HE1 H 1 8.438 0.006 . 1 . . . . . . . . 6385 1 309 . 1 1 35 35 CYS CA C 13 55.532 0.000 . 1 . . . . . . . . 6385 1 310 . 1 1 35 35 CYS HA H 1 5.138 0.000 . 1 . . . . . . . . 6385 1 311 . 1 1 35 35 CYS CB C 13 29.206 0.000 . 1 . . . . . . . . 6385 1 312 . 1 1 35 35 CYS HB2 H 1 2.676 0.011 . 1 . . . . . . . . 6385 1 313 . 1 1 36 36 PHE CA C 13 52.425 0.000 . 1 . . . . . . . . 6385 1 314 . 1 1 36 36 PHE HA H 1 5.144 0.000 . 1 . . . . . . . . 6385 1 315 . 1 1 36 36 PHE CB C 13 38.450 0.000 . 1 . . . . . . . . 6385 1 316 . 1 1 36 36 PHE HB2 H 1 3.509 0.000 . 1 . . . . . . . . 6385 1 317 . 1 1 36 36 PHE HB3 H 1 3.065 0.005 . 1 . . . . . . . . 6385 1 318 . 1 1 36 36 PHE HD1 H 1 6.721 0.043 . 1 . . . . . . . . 6385 1 319 . 1 1 36 36 PHE HE1 H 1 6.637 0.004 . 1 . . . . . . . . 6385 1 320 . 1 1 36 36 PHE CD1 C 13 129.615 0.000 . 1 . . . . . . . . 6385 1 321 . 1 1 36 36 PHE CE1 C 13 127.669 0.000 . 1 . . . . . . . . 6385 1 322 . 1 1 36 36 PHE CZ C 13 125.991 0.000 . 1 . . . . . . . . 6385 1 323 . 1 1 36 36 PHE HZ H 1 5.700 0.002 . 1 . . . . . . . . 6385 1 324 . 1 1 37 37 THR CA C 13 58.638 0.000 . 1 . . . . . . . . 6385 1 325 . 1 1 37 37 THR HA H 1 5.553 0.000 . 1 . . . . . . . . 6385 1 326 . 1 1 37 37 THR CB C 13 69.588 0.000 . 1 . . . . . . . . 6385 1 327 . 1 1 37 37 THR HB H 1 4.805 0.000 . 1 . . . . . . . . 6385 1 328 . 1 1 37 37 THR HG21 H 1 1.157 0.000 . 1 . . . . . . . . 6385 1 329 . 1 1 37 37 THR HG22 H 1 1.157 0.000 . 1 . . . . . . . . 6385 1 330 . 1 1 37 37 THR HG23 H 1 1.157 0.000 . 1 . . . . . . . . 6385 1 331 . 1 1 37 37 THR CG2 C 13 21.440 0.000 . 1 . . . . . . . . 6385 1 332 . 1 1 38 38 GLY CA C 13 46.213 0.000 . 1 . . . . . . . . 6385 1 333 . 1 1 38 38 GLY HA2 H 1 4.871 0.000 . 1 . . . . . . . . 6385 1 334 . 1 1 38 38 GLY HA3 H 1 4.099 0.000 . 1 . . . . . . . . 6385 1 335 . 1 1 39 39 ASN CA C 13 54.101 0.000 . 1 . . . . . . . . 6385 1 336 . 1 1 39 39 ASN HA H 1 4.772 0.001 . 1 . . . . . . . . 6385 1 337 . 1 1 39 39 ASN CB C 13 34.904 0.000 . 1 . . . . . . . . 6385 1 338 . 1 1 39 39 ASN HB2 H 1 2.647 0.000 . 1 . . . . . . . . 6385 1 339 . 1 1 39 39 ASN HB3 H 1 2.527 0.000 . 1 . . . . . . . . 6385 1 340 . 1 1 40 40 CYS CA C 13 60.191 0.000 . 1 . . . . . . . . 6385 1 341 . 1 1 40 40 CYS HA H 1 4.322 0.000 . 1 . . . . . . . . 6385 1 342 . 1 1 40 40 CYS CB C 13 23.978 0.000 . 1 . . . . . . . . 6385 1 343 . 1 1 40 40 CYS HB2 H 1 3.335 0.000 . 1 . . . . . . . . 6385 1 344 . 1 1 40 40 CYS HB3 H 1 3.276 0.000 . 1 . . . . . . . . 6385 1 345 . 1 1 41 41 VAL CA C 13 64.109 0.000 . 1 . . . . . . . . 6385 1 346 . 1 1 41 41 VAL HA H 1 3.568 0.001 . 1 . . . . . . . . 6385 1 347 . 1 1 41 41 VAL CB C 13 29.206 0.000 . 1 . . . . . . . . 6385 1 348 . 1 1 41 41 VAL HB H 1 2.529 0.000 . 1 . . . . . . . . 6385 1 349 . 1 1 41 41 VAL HG11 H 1 0.574 0.000 . 1 . . . . . . . . 6385 1 350 . 1 1 41 41 VAL HG12 H 1 0.574 0.000 . 1 . . . . . . . . 6385 1 351 . 1 1 41 41 VAL HG13 H 1 0.574 0.000 . 1 . . . . . . . . 6385 1 352 . 1 1 41 41 VAL HG21 H 1 1.179 0.000 . 1 . . . . . . . . 6385 1 353 . 1 1 41 41 VAL HG22 H 1 1.179 0.000 . 1 . . . . . . . . 6385 1 354 . 1 1 41 41 VAL HG23 H 1 1.179 0.000 . 1 . . . . . . . . 6385 1 355 . 1 1 41 41 VAL CG1 C 13 17.738 0.000 . 1 . . . . . . . . 6385 1 356 . 1 1 41 41 VAL CG2 C 13 21.440 0.000 . 1 . . . . . . . . 6385 1 357 . 1 1 42 42 ILE CA C 13 61.744 0.000 . 1 . . . . . . . . 6385 1 358 . 1 1 42 42 ILE HA H 1 3.612 0.000 . 1 . . . . . . . . 6385 1 359 . 1 1 42 42 ILE CB C 13 33.787 0.000 . 1 . . . . . . . . 6385 1 360 . 1 1 42 42 ILE HB H 1 2.158 0.000 . 1 . . . . . . . . 6385 1 361 . 1 1 42 42 ILE HG21 H 1 0.920 0.001 . 1 . . . . . . . . 6385 1 362 . 1 1 42 42 ILE HG22 H 1 0.920 0.001 . 1 . . . . . . . . 6385 1 363 . 1 1 42 42 ILE HG23 H 1 0.920 0.001 . 1 . . . . . . . . 6385 1 364 . 1 1 42 42 ILE CG2 C 13 16.185 0.000 . 1 . . . . . . . . 6385 1 365 . 1 1 42 42 ILE CG1 C 13 26.022 0.000 . 1 . . . . . . . . 6385 1 366 . 1 1 42 42 ILE HG12 H 1 1.387 0.000 . 1 . . . . . . . . 6385 1 367 . 1 1 42 42 ILE HG13 H 1 0.779 0.004 . 1 . . . . . . . . 6385 1 368 . 1 1 42 42 ILE HD11 H 1 0.635 0.003 . 1 . . . . . . . . 6385 1 369 . 1 1 42 42 ILE HD12 H 1 0.635 0.003 . 1 . . . . . . . . 6385 1 370 . 1 1 42 42 ILE HD13 H 1 0.635 0.003 . 1 . . . . . . . . 6385 1 371 . 1 1 42 42 ILE CD1 C 13 9.015 0.000 . 1 . . . . . . . . 6385 1 372 . 1 1 43 43 ASP CA C 13 55.532 0.000 . 1 . . . . . . . . 6385 1 373 . 1 1 43 43 ASP HA H 1 4.236 0.006 . 1 . . . . . . . . 6385 1 374 . 1 1 43 43 ASP CB C 13 38.007 0.000 . 1 . . . . . . . . 6385 1 375 . 1 1 43 43 ASP HB2 H 1 2.936 0.000 . 1 . . . . . . . . 6385 1 376 . 1 1 43 43 ASP HB3 H 1 2.752 0.000 . 1 . . . . . . . . 6385 1 377 . 1 1 44 44 TRP CA C 13 60.191 0.000 . 1 . . . . . . . . 6385 1 378 . 1 1 44 44 TRP HA H 1 4.011 0.000 . 1 . . . . . . . . 6385 1 379 . 1 1 44 44 TRP CB C 13 26.617 0.000 . 1 . . . . . . . . 6385 1 380 . 1 1 44 44 TRP HB2 H 1 3.567 0.000 . 1 . . . . . . . . 6385 1 381 . 1 1 44 44 TRP HB3 H 1 3.335 0.000 . 1 . . . . . . . . 6385 1 382 . 1 1 44 44 TRP CD1 C 13 125.016 0.000 . 1 . . . . . . . . 6385 1 383 . 1 1 44 44 TRP CE3 C 13 119.408 0.000 . 1 . . . . . . . . 6385 1 384 . 1 1 44 44 TRP HD1 H 1 7.140 0.005 . 1 . . . . . . . . 6385 1 385 . 1 1 44 44 TRP HE3 H 1 7.204 0.000 . 1 . . . . . . . . 6385 1 386 . 1 1 44 44 TRP CZ3 C 13 120.761 0.000 . 1 . . . . . . . . 6385 1 387 . 1 1 44 44 TRP CZ2 C 13 113.513 0.000 . 1 . . . . . . . . 6385 1 388 . 1 1 44 44 TRP HZ3 H 1 6.854 0.002 . 1 . . . . . . . . 6385 1 389 . 1 1 44 44 TRP CH2 C 13 121.496 0.000 . 1 . . . . . . . . 6385 1 390 . 1 1 44 44 TRP HZ2 H 1 7.187 0.000 . 1 . . . . . . . . 6385 1 391 . 1 1 44 44 TRP HH2 H 1 6.942 0.000 . 1 . . . . . . . . 6385 1 392 . 1 1 45 45 LEU CA C 13 55.532 0.000 . 1 . . . . . . . . 6385 1 393 . 1 1 45 45 LEU HA H 1 3.974 0.000 . 1 . . . . . . . . 6385 1 394 . 1 1 45 45 LEU CB C 13 40.596 0.000 . 1 . . . . . . . . 6385 1 395 . 1 1 45 45 LEU HB2 H 1 2.171 0.003 . 1 . . . . . . . . 6385 1 396 . 1 1 45 45 LEU HB3 H 1 1.349 0.000 . 1 . . . . . . . . 6385 1 397 . 1 1 45 45 LEU CG C 13 24.286 0.000 . 1 . . . . . . . . 6385 1 398 . 1 1 45 45 LEU HG H 1 2.243 0.000 . 1 . . . . . . . . 6385 1 399 . 1 1 45 45 LEU HD11 H 1 1.121 0.002 . 1 . . . . . . . . 6385 1 400 . 1 1 45 45 LEU HD12 H 1 1.121 0.002 . 1 . . . . . . . . 6385 1 401 . 1 1 45 45 LEU HD13 H 1 1.121 0.002 . 1 . . . . . . . . 6385 1 402 . 1 1 45 45 LEU HD21 H 1 0.777 0.005 . 1 . . . . . . . . 6385 1 403 . 1 1 45 45 LEU HD22 H 1 0.777 0.005 . 1 . . . . . . . . 6385 1 404 . 1 1 45 45 LEU HD23 H 1 0.777 0.005 . 1 . . . . . . . . 6385 1 405 . 1 1 45 45 LEU CD1 C 13 22.993 0.000 . 1 . . . . . . . . 6385 1 406 . 1 1 45 45 LEU CD2 C 13 25.504 0.000 . 1 . . . . . . . . 6385 1 407 . 1 1 46 46 VAL CA C 13 63.375 0.000 . 1 . . . . . . . . 6385 1 408 . 1 1 46 46 VAL HA H 1 3.641 0.004 . 1 . . . . . . . . 6385 1 409 . 1 1 46 46 VAL CB C 13 28.610 0.000 . 1 . . . . . . . . 6385 1 410 . 1 1 46 46 VAL HB H 1 2.057 0.004 . 1 . . . . . . . . 6385 1 411 . 1 1 46 46 VAL HG11 H 1 0.751 0.002 . 1 . . . . . . . . 6385 1 412 . 1 1 46 46 VAL HG12 H 1 0.751 0.002 . 1 . . . . . . . . 6385 1 413 . 1 1 46 46 VAL HG13 H 1 0.751 0.002 . 1 . . . . . . . . 6385 1 414 . 1 1 46 46 VAL HG21 H 1 0.816 0.002 . 1 . . . . . . . . 6385 1 415 . 1 1 46 46 VAL HG22 H 1 0.816 0.002 . 1 . . . . . . . . 6385 1 416 . 1 1 46 46 VAL HG23 H 1 0.816 0.002 . 1 . . . . . . . . 6385 1 417 . 1 1 46 46 VAL CG1 C 13 19.369 0.000 . 1 . . . . . . . . 6385 1 418 . 1 1 47 47 SER CA C 13 59.234 0.000 . 1 . . . . . . . . 6385 1 419 . 1 1 47 47 SER HA H 1 4.146 0.000 . 1 . . . . . . . . 6385 1 420 . 1 1 47 47 SER CB C 13 60.540 0.000 . 1 . . . . . . . . 6385 1 421 . 1 1 47 47 SER HB2 H 1 3.838 0.000 . 1 . . . . . . . . 6385 1 422 . 1 1 48 48 ASN CA C 13 50.872 0.000 . 1 . . . . . . . . 6385 1 423 . 1 1 48 48 ASN HA H 1 4.413 0.000 . 1 . . . . . . . . 6385 1 424 . 1 1 48 48 ASN CB C 13 35.936 0.000 . 1 . . . . . . . . 6385 1 425 . 1 1 48 48 ASN HB2 H 1 2.033 0.000 . 1 . . . . . . . . 6385 1 426 . 1 1 48 48 ASN HB3 H 1 1.735 0.000 . 1 . . . . . . . . 6385 1 427 . 1 1 49 49 GLN CA C 13 54.496 0.000 . 1 . . . . . . . . 6385 1 428 . 1 1 49 49 GLN HA H 1 4.003 0.000 . 1 . . . . . . . . 6385 1 429 . 1 1 49 49 GLN CB C 13 23.433 0.000 . 1 . . . . . . . . 6385 1 430 . 1 1 49 49 GLN HB2 H 1 2.217 0.002 . 1 . . . . . . . . 6385 1 431 . 1 1 49 49 GLN CG C 13 32.053 0.000 . 1 . . . . . . . . 6385 1 432 . 1 1 49 49 GLN HG2 H 1 2.223 0.000 . 1 . . . . . . . . 6385 1 433 . 1 1 50 50 SER CA C 13 59.156 0.000 . 1 . . . . . . . . 6385 1 434 . 1 1 50 50 SER HA H 1 4.196 0.000 . 1 . . . . . . . . 6385 1 435 . 1 1 50 50 SER CB C 13 61.304 0.000 . 1 . . . . . . . . 6385 1 436 . 1 1 50 50 SER HB2 H 1 3.828 0.000 . 1 . . . . . . . . 6385 1 437 . 1 1 51 51 VAL CA C 13 56.254 0.000 . 1 . . . . . . . . 6385 1 438 . 1 1 51 51 VAL HA H 1 4.498 0.000 . 1 . . . . . . . . 6385 1 439 . 1 1 51 51 VAL CB C 13 32.515 0.000 . 1 . . . . . . . . 6385 1 440 . 1 1 51 51 VAL HB H 1 2.319 0.000 . 1 . . . . . . . . 6385 1 441 . 1 1 51 51 VAL HG11 H 1 0.754 0.006 . 1 . . . . . . . . 6385 1 442 . 1 1 51 51 VAL HG12 H 1 0.754 0.006 . 1 . . . . . . . . 6385 1 443 . 1 1 51 51 VAL HG13 H 1 0.754 0.006 . 1 . . . . . . . . 6385 1 444 . 1 1 51 51 VAL HG21 H 1 0.493 0.000 . 1 . . . . . . . . 6385 1 445 . 1 1 51 51 VAL HG22 H 1 0.493 0.000 . 1 . . . . . . . . 6385 1 446 . 1 1 51 51 VAL HG23 H 1 0.493 0.000 . 1 . . . . . . . . 6385 1 447 . 1 1 51 51 VAL CG1 C 13 20.405 0.000 . 1 . . . . . . . . 6385 1 448 . 1 1 51 51 VAL CG2 C 13 17.016 0.000 . 1 . . . . . . . . 6385 1 449 . 1 1 52 52 ARG CA C 13 55.040 0.000 . 1 . . . . . . . . 6385 1 450 . 1 1 52 52 ARG HA H 1 4.209 0.000 . 1 . . . . . . . . 6385 1 451 . 1 1 52 52 ARG CB C 13 29.206 0.000 . 1 . . . . . . . . 6385 1 452 . 1 1 52 52 ARG HB2 H 1 1.850 0.000 . 1 . . . . . . . . 6385 1 453 . 1 1 52 52 ARG HB3 H 1 1.761 0.000 . 1 . . . . . . . . 6385 1 454 . 1 1 52 52 ARG CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 455 . 1 1 52 52 ARG HG2 H 1 1.721 0.000 . 1 . . . . . . . . 6385 1 456 . 1 1 52 52 ARG CD C 13 41.103 0.000 . 1 . . . . . . . . 6385 1 457 . 1 1 52 52 ARG HD2 H 1 3.212 0.000 . 1 . . . . . . . . 6385 1 458 . 1 1 53 53 ASN CA C 13 49.595 0.000 . 1 . . . . . . . . 6385 1 459 . 1 1 53 53 ASN HA H 1 4.714 0.000 . 1 . . . . . . . . 6385 1 460 . 1 1 53 53 ASN CB C 13 37.100 0.000 . 1 . . . . . . . . 6385 1 461 . 1 1 53 53 ASN HB2 H 1 3.177 0.000 . 1 . . . . . . . . 6385 1 462 . 1 1 54 54 ARG CA C 13 57.938 0.000 . 1 . . . . . . . . 6385 1 463 . 1 1 54 54 ARG HA H 1 3.640 0.000 . 1 . . . . . . . . 6385 1 464 . 1 1 54 54 ARG CB C 13 28.610 0.000 . 1 . . . . . . . . 6385 1 465 . 1 1 54 54 ARG HB2 H 1 1.977 0.000 . 1 . . . . . . . . 6385 1 466 . 1 1 54 54 ARG HB3 H 1 1.813 0.008 . 1 . . . . . . . . 6385 1 467 . 1 1 54 54 ARG CG C 13 26.617 0.000 . 1 . . . . . . . . 6385 1 468 . 1 1 54 54 ARG HG2 H 1 1.973 0.001 . 1 . . . . . . . . 6385 1 469 . 1 1 54 54 ARG HG3 H 1 1.214 0.001 . 1 . . . . . . . . 6385 1 470 . 1 1 54 54 ARG CD C 13 40.078 0.000 . 1 . . . . . . . . 6385 1 471 . 1 1 54 54 ARG HD2 H 1 3.434 0.000 . 1 . . . . . . . . 6385 1 472 . 1 1 54 54 ARG HD3 H 1 2.980 0.000 . 1 . . . . . . . . 6385 1 473 . 1 1 55 55 GLN CA C 13 57.602 0.000 . 1 . . . . . . . . 6385 1 474 . 1 1 55 55 GLN HA H 1 4.085 0.000 . 1 . . . . . . . . 6385 1 475 . 1 1 55 55 GLN CB C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 476 . 1 1 55 55 GLN HB2 H 1 2.186 0.000 . 1 . . . . . . . . 6385 1 477 . 1 1 55 55 GLN HB3 H 1 2.115 0.000 . 1 . . . . . . . . 6385 1 478 . 1 1 55 55 GLN CG C 13 31.795 0.000 . 1 . . . . . . . . 6385 1 479 . 1 1 55 55 GLN HG2 H 1 2.435 0.000 . 1 . . . . . . . . 6385 1 480 . 1 1 56 56 GLU CA C 13 57.680 0.000 . 1 . . . . . . . . 6385 1 481 . 1 1 56 56 GLU HA H 1 4.123 0.000 . 1 . . . . . . . . 6385 1 482 . 1 1 56 56 GLU CB C 13 27.653 0.000 . 1 . . . . . . . . 6385 1 483 . 1 1 56 56 GLU HB2 H 1 2.076 0.000 . 1 . . . . . . . . 6385 1 484 . 1 1 56 56 GLU CG C 13 34.705 0.000 . 1 . . . . . . . . 6385 1 485 . 1 1 56 56 GLU HG2 H 1 2.586 0.000 . 1 . . . . . . . . 6385 1 486 . 1 1 56 56 GLU HG3 H 1 2.296 0.000 . 1 . . . . . . . . 6385 1 487 . 1 1 57 57 GLY CA C 13 46.341 0.000 . 1 . . . . . . . . 6385 1 488 . 1 1 57 57 GLY HA2 H 1 3.675 0.000 . 1 . . . . . . . . 6385 1 489 . 1 1 57 57 GLY HA3 H 1 3.451 0.005 . 1 . . . . . . . . 6385 1 490 . 1 1 58 58 LEU CA C 13 56.567 0.000 . 1 . . . . . . . . 6385 1 491 . 1 1 58 58 LEU HA H 1 3.802 0.001 . 1 . . . . . . . . 6385 1 492 . 1 1 58 58 LEU CB C 13 40.078 0.000 . 1 . . . . . . . . 6385 1 493 . 1 1 58 58 LEU HB2 H 1 1.904 0.006 . 1 . . . . . . . . 6385 1 494 . 1 1 58 58 LEU HB3 H 1 1.716 0.006 . 1 . . . . . . . . 6385 1 495 . 1 1 58 58 LEU CG C 13 22.728 0.000 . 1 . . . . . . . . 6385 1 496 . 1 1 58 58 LEU HG H 1 1.080 0.007 . 1 . . . . . . . . 6385 1 497 . 1 1 58 58 LEU HD11 H 1 1.709 0.003 . 1 . . . . . . . . 6385 1 498 . 1 1 58 58 LEU HD12 H 1 1.709 0.003 . 1 . . . . . . . . 6385 1 499 . 1 1 58 58 LEU HD13 H 1 1.709 0.003 . 1 . . . . . . . . 6385 1 500 . 1 1 58 58 LEU CD1 C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 501 . 1 1 59 59 MET CA C 13 56.567 0.000 . 1 . . . . . . . . 6385 1 502 . 1 1 59 59 MET HA H 1 4.218 0.000 . 1 . . . . . . . . 6385 1 503 . 1 1 59 59 MET CB C 13 29.646 0.000 . 1 . . . . . . . . 6385 1 504 . 1 1 59 59 MET HB2 H 1 2.318 0.000 . 1 . . . . . . . . 6385 1 505 . 1 1 59 59 MET CG C 13 29.578 0.000 . 1 . . . . . . . . 6385 1 506 . 1 1 59 59 MET HG2 H 1 2.802 0.000 . 1 . . . . . . . . 6385 1 507 . 1 1 59 59 MET HG3 H 1 2.661 0.000 . 1 . . . . . . . . 6385 1 508 . 1 1 59 59 MET HE1 H 1 1.970 0.007 . 1 . . . . . . . . 6385 1 509 . 1 1 59 59 MET HE2 H 1 1.970 0.007 . 1 . . . . . . . . 6385 1 510 . 1 1 59 59 MET HE3 H 1 1.970 0.007 . 1 . . . . . . . . 6385 1 511 . 1 1 59 59 MET CE C 13 15.228 0.000 . 1 . . . . . . . . 6385 1 512 . 1 1 60 60 ILE CA C 13 60.528 0.000 . 1 . . . . . . . . 6385 1 513 . 1 1 60 60 ILE HA H 1 3.806 0.000 . 1 . . . . . . . . 6385 1 514 . 1 1 60 60 ILE CB C 13 34.305 0.000 . 1 . . . . . . . . 6385 1 515 . 1 1 60 60 ILE HB H 1 1.915 0.000 . 1 . . . . . . . . 6385 1 516 . 1 1 60 60 ILE HG21 H 1 0.704 0.000 . 1 . . . . . . . . 6385 1 517 . 1 1 60 60 ILE HG22 H 1 0.704 0.000 . 1 . . . . . . . . 6385 1 518 . 1 1 60 60 ILE HG23 H 1 0.704 0.000 . 1 . . . . . . . . 6385 1 519 . 1 1 60 60 ILE CG2 C 13 16.185 0.000 . 1 . . . . . . . . 6385 1 520 . 1 1 60 60 ILE CG1 C 13 26.022 0.000 . 1 . . . . . . . . 6385 1 521 . 1 1 60 60 ILE HG12 H 1 1.426 0.000 . 1 . . . . . . . . 6385 1 522 . 1 1 60 60 ILE HD11 H 1 0.774 0.000 . 1 . . . . . . . . 6385 1 523 . 1 1 60 60 ILE HD12 H 1 0.774 0.000 . 1 . . . . . . . . 6385 1 524 . 1 1 60 60 ILE HD13 H 1 0.774 0.000 . 1 . . . . . . . . 6385 1 525 . 1 1 60 60 ILE CD1 C 13 8.937 0.000 . 1 . . . . . . . . 6385 1 526 . 1 1 61 61 ALA CA C 13 53.461 0.000 . 1 . . . . . . . . 6385 1 527 . 1 1 61 61 ALA HA H 1 3.458 0.003 . 1 . . . . . . . . 6385 1 528 . 1 1 61 61 ALA HB1 H 1 -0.062 0.000 . 1 . . . . . . . . 6385 1 529 . 1 1 61 61 ALA HB2 H 1 -0.062 0.000 . 1 . . . . . . . . 6385 1 530 . 1 1 61 61 ALA HB3 H 1 -0.062 0.000 . 1 . . . . . . . . 6385 1 531 . 1 1 61 61 ALA CB C 13 13.620 0.000 . 1 . . . . . . . . 6385 1 532 . 1 1 62 62 SER CA C 13 61.226 0.000 . 1 . . . . . . . . 6385 1 533 . 1 1 62 62 SER HA H 1 4.145 0.004 . 1 . . . . . . . . 6385 1 534 . 1 1 63 63 SER CA C 13 60.191 0.000 . 1 . . . . . . . . 6385 1 535 . 1 1 63 63 SER HA H 1 4.442 0.000 . 1 . . . . . . . . 6385 1 536 . 1 1 63 63 SER CB C 13 60.191 0.000 . 1 . . . . . . . . 6385 1 537 . 1 1 63 63 SER HB2 H 1 4.185 0.000 . 1 . . . . . . . . 6385 1 538 . 1 1 63 63 SER HB3 H 1 4.039 0.004 . 1 . . . . . . . . 6385 1 539 . 1 1 64 64 LEU CA C 13 56.049 0.000 . 1 . . . . . . . . 6385 1 540 . 1 1 64 64 LEU HA H 1 4.100 0.000 . 1 . . . . . . . . 6385 1 541 . 1 1 64 64 LEU CB C 13 40.078 0.000 . 1 . . . . . . . . 6385 1 542 . 1 1 64 64 LEU HB2 H 1 2.198 0.000 . 1 . . . . . . . . 6385 1 543 . 1 1 64 64 LEU HB3 H 1 1.258 0.000 . 1 . . . . . . . . 6385 1 544 . 1 1 64 64 LEU CG C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 545 . 1 1 64 64 LEU HG H 1 1.801 0.000 . 1 . . . . . . . . 6385 1 546 . 1 1 64 64 LEU HD11 H 1 0.708 0.010 . 1 . . . . . . . . 6385 1 547 . 1 1 64 64 LEU HD12 H 1 0.708 0.010 . 1 . . . . . . . . 6385 1 548 . 1 1 64 64 LEU HD13 H 1 0.708 0.010 . 1 . . . . . . . . 6385 1 549 . 1 1 64 64 LEU HD21 H 1 0.737 0.000 . 1 . . . . . . . . 6385 1 550 . 1 1 64 64 LEU HD22 H 1 0.737 0.000 . 1 . . . . . . . . 6385 1 551 . 1 1 64 64 LEU HD23 H 1 0.737 0.000 . 1 . . . . . . . . 6385 1 552 . 1 1 64 64 LEU CD1 C 13 23.951 0.000 . 1 . . . . . . . . 6385 1 553 . 1 1 64 64 LEU CD2 C 13 22.398 0.000 . 1 . . . . . . . . 6385 1 554 . 1 1 65 65 LEU CA C 13 55.532 0.000 . 1 . . . . . . . . 6385 1 555 . 1 1 65 65 LEU HA H 1 4.534 0.004 . 1 . . . . . . . . 6385 1 556 . 1 1 65 65 LEU CB C 13 41.117 0.000 . 1 . . . . . . . . 6385 1 557 . 1 1 65 65 LEU HB2 H 1 2.219 0.000 . 1 . . . . . . . . 6385 1 558 . 1 1 65 65 LEU HB3 H 1 1.667 0.001 . 1 . . . . . . . . 6385 1 559 . 1 1 65 65 LEU CG C 13 24.288 0.000 . 1 . . . . . . . . 6385 1 560 . 1 1 65 65 LEU HG H 1 1.805 0.000 . 1 . . . . . . . . 6385 1 561 . 1 1 65 65 LEU HD11 H 1 1.079 0.001 . 1 . . . . . . . . 6385 1 562 . 1 1 65 65 LEU HD12 H 1 1.079 0.001 . 1 . . . . . . . . 6385 1 563 . 1 1 65 65 LEU HD13 H 1 1.079 0.001 . 1 . . . . . . . . 6385 1 564 . 1 1 65 65 LEU HD21 H 1 1.086 0.000 . 1 . . . . . . . . 6385 1 565 . 1 1 65 65 LEU HD22 H 1 1.086 0.000 . 1 . . . . . . . . 6385 1 566 . 1 1 65 65 LEU HD23 H 1 1.086 0.000 . 1 . . . . . . . . 6385 1 567 . 1 1 65 65 LEU CD1 C 13 22.398 0.000 . 1 . . . . . . . . 6385 1 568 . 1 1 65 65 LEU CD2 C 13 24.469 0.000 . 1 . . . . . . . . 6385 1 569 . 1 1 66 66 ASN CA C 13 53.280 0.000 . 1 . . . . . . . . 6385 1 570 . 1 1 66 66 ASN HA H 1 4.476 0.000 . 1 . . . . . . . . 6385 1 571 . 1 1 66 66 ASN CB C 13 36.412 0.000 . 1 . . . . . . . . 6385 1 572 . 1 1 66 66 ASN HB2 H 1 3.044 0.002 . 1 . . . . . . . . 6385 1 573 . 1 1 66 66 ASN HB3 H 1 2.950 0.000 . 1 . . . . . . . . 6385 1 574 . 1 1 67 67 GLU CA C 13 53.978 0.000 . 1 . . . . . . . . 6385 1 575 . 1 1 67 67 GLU HA H 1 4.350 0.000 . 1 . . . . . . . . 6385 1 576 . 1 1 67 67 GLU CB C 13 27.578 0.000 . 1 . . . . . . . . 6385 1 577 . 1 1 67 67 GLU HB2 H 1 2.266 0.000 . 1 . . . . . . . . 6385 1 578 . 1 1 67 67 GLU HB3 H 1 1.920 0.003 . 1 . . . . . . . . 6385 1 579 . 1 1 67 67 GLU CG C 13 34.580 0.000 . 1 . . . . . . . . 6385 1 580 . 1 1 67 67 GLU HG2 H 1 2.422 0.000 . 1 . . . . . . . . 6385 1 581 . 1 1 68 68 GLY CA C 13 43.346 0.000 . 1 . . . . . . . . 6385 1 582 . 1 1 68 68 GLY HA2 H 1 4.040 0.000 . 1 . . . . . . . . 6385 1 583 . 1 1 68 68 GLY HA3 H 1 3.752 0.000 . 1 . . . . . . . . 6385 1 584 . 1 1 69 69 TYR CA C 13 57.680 0.000 . 1 . . . . . . . . 6385 1 585 . 1 1 69 69 TYR HA H 1 3.971 0.002 . 1 . . . . . . . . 6385 1 586 . 1 1 69 69 TYR CB C 13 37.055 0.000 . 1 . . . . . . . . 6385 1 587 . 1 1 69 69 TYR HB2 H 1 2.875 0.000 . 1 . . . . . . . . 6385 1 588 . 1 1 69 69 TYR HB3 H 1 2.618 0.002 . 1 . . . . . . . . 6385 1 589 . 1 1 69 69 TYR HD1 H 1 6.340 0.002 . 1 . . . . . . . . 6385 1 590 . 1 1 69 69 TYR HE1 H 1 6.600 0.000 . 1 . . . . . . . . 6385 1 591 . 1 1 69 69 TYR CD1 C 13 129.633 0.000 . 1 . . . . . . . . 6385 1 592 . 1 1 69 69 TYR CE1 C 13 115.837 0.000 . 1 . . . . . . . . 6385 1 593 . 1 1 70 70 LEU CA C 13 50.328 0.000 . 1 . . . . . . . . 6385 1 594 . 1 1 70 70 LEU HA H 1 5.069 0.000 . 1 . . . . . . . . 6385 1 595 . 1 1 70 70 LEU CB C 13 45.039 0.000 . 1 . . . . . . . . 6385 1 596 . 1 1 70 70 LEU HB2 H 1 1.396 0.002 . 1 . . . . . . . . 6385 1 597 . 1 1 70 70 LEU CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 598 . 1 1 70 70 LEU HG H 1 1.617 0.000 . 1 . . . . . . . . 6385 1 599 . 1 1 70 70 LEU HD11 H 1 0.994 0.000 . 1 . . . . . . . . 6385 1 600 . 1 1 70 70 LEU HD12 H 1 0.994 0.000 . 1 . . . . . . . . 6385 1 601 . 1 1 70 70 LEU HD13 H 1 0.994 0.000 . 1 . . . . . . . . 6385 1 602 . 1 1 70 70 LEU HD21 H 1 0.803 0.000 . 1 . . . . . . . . 6385 1 603 . 1 1 70 70 LEU HD22 H 1 0.803 0.000 . 1 . . . . . . . . 6385 1 604 . 1 1 70 70 LEU HD23 H 1 0.803 0.000 . 1 . . . . . . . . 6385 1 605 . 1 1 70 70 LEU CD1 C 13 23.433 0.000 . 1 . . . . . . . . 6385 1 606 . 1 1 70 70 LEU CD2 C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 607 . 1 1 71 71 GLN CA C 13 49.878 0.000 . 1 . . . . . . . . 6385 1 608 . 1 1 71 71 GLN HA H 1 4.871 0.000 . 1 . . . . . . . . 6385 1 609 . 1 1 71 71 GLN CB C 13 29.128 0.000 . 1 . . . . . . . . 6385 1 610 . 1 1 71 71 GLN HB2 H 1 1.811 0.000 . 1 . . . . . . . . 6385 1 611 . 1 1 71 71 GLN HB3 H 1 0.736 0.000 . 1 . . . . . . . . 6385 1 612 . 1 1 71 71 GLN CG C 13 31.199 0.000 . 1 . . . . . . . . 6385 1 613 . 1 1 71 71 GLN HG2 H 1 2.138 0.002 . 1 . . . . . . . . 6385 1 614 . 1 1 71 71 GLN HG3 H 1 1.993 0.006 . 1 . . . . . . . . 6385 1 615 . 1 1 72 72 PRO CD C 13 48.284 0.001 . 1 . . . . . . . . 6385 1 616 . 1 1 72 72 PRO CA C 13 60.191 0.000 . 1 . . . . . . . . 6385 1 617 . 1 1 72 72 PRO HA H 1 4.591 0.000 . 1 . . . . . . . . 6385 1 618 . 1 1 72 72 PRO CB C 13 29.831 0.000 . 1 . . . . . . . . 6385 1 619 . 1 1 72 72 PRO HB2 H 1 1.992 0.004 . 1 . . . . . . . . 6385 1 620 . 1 1 72 72 PRO HB3 H 1 1.811 0.003 . 1 . . . . . . . . 6385 1 621 . 1 1 72 72 PRO CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 622 . 1 1 72 72 PRO HG2 H 1 2.302 0.000 . 1 . . . . . . . . 6385 1 623 . 1 1 72 72 PRO HG3 H 1 2.126 0.000 . 1 . . . . . . . . 6385 1 624 . 1 1 72 72 PRO HD2 H 1 3.847 0.002 . 1 . . . . . . . . 6385 1 625 . 1 1 72 72 PRO HD3 H 1 3.739 0.004 . 1 . . . . . . . . 6385 1 626 . 1 1 73 73 ALA CA C 13 48.879 0.000 . 1 . . . . . . . . 6385 1 627 . 1 1 73 73 ALA HA H 1 4.578 0.000 . 1 . . . . . . . . 6385 1 628 . 1 1 73 73 ALA HB1 H 1 1.114 0.000 . 1 . . . . . . . . 6385 1 629 . 1 1 73 73 ALA HB2 H 1 1.114 0.000 . 1 . . . . . . . . 6385 1 630 . 1 1 73 73 ALA HB3 H 1 1.114 0.000 . 1 . . . . . . . . 6385 1 631 . 1 1 73 73 ALA CB C 13 19.291 0.000 . 1 . . . . . . . . 6385 1 632 . 1 1 74 74 GLY CA C 13 42.667 0.000 . 1 . . . . . . . . 6385 1 633 . 1 1 74 74 GLY HA2 H 1 3.972 0.008 . 1 . . . . . . . . 6385 1 634 . 1 1 74 74 GLY HA3 H 1 3.835 0.008 . 1 . . . . . . . . 6385 1 635 . 1 1 75 75 ASP CA C 13 55.092 0.000 . 1 . . . . . . . . 6385 1 636 . 1 1 75 75 ASP HA H 1 4.392 0.000 . 1 . . . . . . . . 6385 1 637 . 1 1 75 75 ASP CB C 13 39.043 0.000 . 1 . . . . . . . . 6385 1 638 . 1 1 75 75 ASP HB2 H 1 2.684 0.000 . 1 . . . . . . . . 6385 1 639 . 1 1 75 75 ASP HB3 H 1 2.583 0.000 . 1 . . . . . . . . 6385 1 640 . 1 1 76 76 MET CA C 13 56.049 0.000 . 1 . . . . . . . . 6385 1 641 . 1 1 76 76 MET HA H 1 4.221 0.000 . 1 . . . . . . . . 6385 1 642 . 1 1 76 76 MET CB C 13 29.646 0.000 . 1 . . . . . . . . 6385 1 643 . 1 1 76 76 MET HB2 H 1 2.070 0.000 . 1 . . . . . . . . 6385 1 644 . 1 1 76 76 MET HG2 H 1 2.433 0.000 . 1 . . . . . . . . 6385 1 645 . 1 1 76 76 MET HG3 H 1 2.304 0.000 . 1 . . . . . . . . 6385 1 646 . 1 1 76 76 MET HE1 H 1 2.135 0.005 . 1 . . . . . . . . 6385 1 647 . 1 1 76 76 MET HE2 H 1 2.135 0.005 . 1 . . . . . . . . 6385 1 648 . 1 1 76 76 MET HE3 H 1 2.135 0.005 . 1 . . . . . . . . 6385 1 649 . 1 1 76 76 MET CE C 13 15.228 0.000 . 1 . . . . . . . . 6385 1 650 . 1 1 77 77 SER CA C 13 57.956 0.000 . 1 . . . . . . . . 6385 1 651 . 1 1 77 77 SER HA H 1 4.181 0.006 . 1 . . . . . . . . 6385 1 652 . 1 1 77 77 SER CB C 13 60.709 0.000 . 1 . . . . . . . . 6385 1 653 . 1 1 77 77 SER HB2 H 1 3.607 0.000 . 1 . . . . . . . . 6385 1 654 . 1 1 77 77 SER HB3 H 1 3.479 0.002 . 1 . . . . . . . . 6385 1 655 . 1 1 78 78 LYS CA C 13 56.049 0.000 . 1 . . . . . . . . 6385 1 656 . 1 1 78 78 LYS HA H 1 4.100 0.001 . 1 . . . . . . . . 6385 1 657 . 1 1 78 78 LYS CB C 13 30.163 0.000 . 1 . . . . . . . . 6385 1 658 . 1 1 78 78 LYS HB2 H 1 1.827 0.000 . 1 . . . . . . . . 6385 1 659 . 1 1 78 78 LYS CG C 13 23.665 0.000 . 1 . . . . . . . . 6385 1 660 . 1 1 78 78 LYS HG2 H 1 1.545 0.003 . 1 . . . . . . . . 6385 1 661 . 1 1 78 78 LYS HG3 H 1 1.368 0.004 . 1 . . . . . . . . 6385 1 662 . 1 1 78 78 LYS CD C 13 26.539 0.000 . 1 . . . . . . . . 6385 1 663 . 1 1 78 78 LYS HD2 H 1 1.648 0.000 . 1 . . . . . . . . 6385 1 664 . 1 1 78 78 LYS CE C 13 39.482 0.000 . 1 . . . . . . . . 6385 1 665 . 1 1 78 78 LYS HE2 H 1 2.988 0.000 . 1 . . . . . . . . 6385 1 666 . 1 1 79 79 SER CA C 13 58.120 0.000 . 1 . . . . . . . . 6385 1 667 . 1 1 79 79 SER HA H 1 4.312 0.000 . 1 . . . . . . . . 6385 1 668 . 1 1 79 79 SER CB C 13 60.787 0.000 . 1 . . . . . . . . 6385 1 669 . 1 1 79 79 SER HB2 H 1 3.940 0.000 . 1 . . . . . . . . 6385 1 670 . 1 1 80 80 ALA CA C 13 50.872 0.000 . 1 . . . . . . . . 6385 1 671 . 1 1 80 80 ALA HA H 1 4.342 0.000 . 1 . . . . . . . . 6385 1 672 . 1 1 80 80 ALA HB1 H 1 1.463 0.008 . 1 . . . . . . . . 6385 1 673 . 1 1 80 80 ALA HB2 H 1 1.463 0.008 . 1 . . . . . . . . 6385 1 674 . 1 1 80 80 ALA HB3 H 1 1.463 0.008 . 1 . . . . . . . . 6385 1 675 . 1 1 80 80 ALA CB C 13 17.298 0.000 . 1 . . . . . . . . 6385 1 676 . 1 1 81 81 VAL CA C 13 60.709 0.000 . 1 . . . . . . . . 6385 1 677 . 1 1 81 81 VAL HA H 1 4.094 0.000 . 1 . . . . . . . . 6385 1 678 . 1 1 81 81 VAL CB C 13 29.461 0.000 . 1 . . . . . . . . 6385 1 679 . 1 1 81 81 VAL HB H 1 2.252 0.001 . 1 . . . . . . . . 6385 1 680 . 1 1 81 81 VAL HG11 H 1 1.070 0.004 . 1 . . . . . . . . 6385 1 681 . 1 1 81 81 VAL HG12 H 1 1.070 0.004 . 1 . . . . . . . . 6385 1 682 . 1 1 81 81 VAL HG13 H 1 1.070 0.004 . 1 . . . . . . . . 6385 1 683 . 1 1 81 81 VAL CG1 C 13 18.228 0.000 . 1 . . . . . . . . 6385 1 684 . 1 1 82 82 ASP CA C 13 51.908 0.000 . 1 . . . . . . . . 6385 1 685 . 1 1 82 82 ASP HA H 1 4.656 0.000 . 1 . . . . . . . . 6385 1 686 . 1 1 82 82 ASP CB C 13 38.965 0.000 . 1 . . . . . . . . 6385 1 687 . 1 1 82 82 ASP HB2 H 1 2.734 0.000 . 1 . . . . . . . . 6385 1 688 . 1 1 82 82 ASP HB3 H 1 2.734 0.000 . 1 . . . . . . . . 6385 1 689 . 1 1 83 83 GLY CA C 13 43.106 0.000 . 1 . . . . . . . . 6385 1 690 . 1 1 83 83 GLY HA2 H 1 4.084 0.003 . 1 . . . . . . . . 6385 1 691 . 1 1 84 84 THR CA C 13 59.228 0.000 . 1 . . . . . . . . 6385 1 692 . 1 1 84 84 THR HA H 1 4.354 0.000 . 1 . . . . . . . . 6385 1 693 . 1 1 84 84 THR CB C 13 66.999 0.000 . 1 . . . . . . . . 6385 1 694 . 1 1 84 84 THR HB H 1 4.282 0.000 . 1 . . . . . . . . 6385 1 695 . 1 1 84 84 THR HG21 H 1 1.203 0.000 . 1 . . . . . . . . 6385 1 696 . 1 1 84 84 THR HG22 H 1 1.203 0.000 . 1 . . . . . . . . 6385 1 697 . 1 1 84 84 THR HG23 H 1 1.203 0.000 . 1 . . . . . . . . 6385 1 698 . 1 1 84 84 THR CG2 C 13 19.651 0.000 . 1 . . . . . . . . 6385 1 699 . 1 1 85 85 ALA CA C 13 50.354 0.000 . 1 . . . . . . . . 6385 1 700 . 1 1 85 85 ALA HA H 1 4.351 0.000 . 1 . . . . . . . . 6385 1 701 . 1 1 85 85 ALA HB1 H 1 1.421 0.000 . 1 . . . . . . . . 6385 1 702 . 1 1 85 85 ALA HB2 H 1 1.421 0.000 . 1 . . . . . . . . 6385 1 703 . 1 1 85 85 ALA HB3 H 1 1.421 0.000 . 1 . . . . . . . . 6385 1 704 . 1 1 85 85 ALA CB C 13 17.298 0.000 . 1 . . . . . . . . 6385 1 705 . 1 1 86 86 GLU CA C 13 56.567 0.000 . 1 . . . . . . . . 6385 1 706 . 1 1 86 86 GLU HA H 1 4.131 0.000 . 1 . . . . . . . . 6385 1 707 . 1 1 86 86 GLU CB C 13 28.610 0.000 . 1 . . . . . . . . 6385 1 708 . 1 1 86 86 GLU HB2 H 1 2.057 0.000 . 1 . . . . . . . . 6385 1 709 . 1 1 86 86 GLU CG C 13 34.383 0.000 . 1 . . . . . . . . 6385 1 710 . 1 1 86 86 GLU HG2 H 1 2.294 0.000 . 1 . . . . . . . . 6385 1 711 . 1 1 86 86 GLU HG3 H 1 2.279 0.000 . 1 . . . . . . . . 6385 1 712 . 1 1 87 87 ASN CA C 13 49.397 0.000 . 1 . . . . . . . . 6385 1 713 . 1 1 87 87 ASN HA H 1 5.153 0.000 . 1 . . . . . . . . 6385 1 714 . 1 1 87 87 ASN CB C 13 37.489 0.000 . 1 . . . . . . . . 6385 1 715 . 1 1 87 87 ASN HB2 H 1 2.757 0.000 . 1 . . . . . . . . 6385 1 716 . 1 1 88 88 PRO CD C 13 48.284 0.000 . 1 . . . . . . . . 6385 1 717 . 1 1 88 88 PRO CA C 13 61.175 0.000 . 1 . . . . . . . . 6385 1 718 . 1 1 88 88 PRO HA H 1 4.467 0.002 . 1 . . . . . . . . 6385 1 719 . 1 1 88 88 PRO CB C 13 30.163 0.000 . 1 . . . . . . . . 6385 1 720 . 1 1 88 88 PRO HB2 H 1 2.300 0.001 . 1 . . . . . . . . 6385 1 721 . 1 1 88 88 PRO HB3 H 1 2.020 0.000 . 1 . . . . . . . . 6385 1 722 . 1 1 88 88 PRO CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 723 . 1 1 88 88 PRO HG2 H 1 2.214 0.004 . 1 . . . . . . . . 6385 1 724 . 1 1 88 88 PRO HG3 H 1 1.924 0.002 . 1 . . . . . . . . 6385 1 725 . 1 1 88 88 PRO HD2 H 1 3.822 0.000 . 1 . . . . . . . . 6385 1 726 . 1 1 88 88 PRO HD3 H 1 3.708 0.004 . 1 . . . . . . . . 6385 1 727 . 1 1 89 89 PHE CA C 13 56.560 0.000 . 1 . . . . . . . . 6385 1 728 . 1 1 89 89 PHE HA H 1 3.954 0.000 . 1 . . . . . . . . 6385 1 729 . 1 1 89 89 PHE CB C 13 39.317 0.000 . 1 . . . . . . . . 6385 1 730 . 1 1 89 89 PHE HB2 H 1 2.801 0.000 . 1 . . . . . . . . 6385 1 731 . 1 1 89 89 PHE HB3 H 1 2.512 0.000 . 1 . . . . . . . . 6385 1 732 . 1 1 89 89 PHE HD1 H 1 6.575 0.000 . 1 . . . . . . . . 6385 1 733 . 1 1 89 89 PHE HE1 H 1 6.509 0.015 . 1 . . . . . . . . 6385 1 734 . 1 1 89 89 PHE CD1 C 13 127.677 0.000 . 1 . . . . . . . . 6385 1 735 . 1 1 89 89 PHE CE1 C 13 129.222 0.000 . 1 . . . . . . . . 6385 1 736 . 1 1 89 89 PHE CZ C 13 126.891 0.000 . 1 . . . . . . . . 6385 1 737 . 1 1 89 89 PHE HZ H 1 6.791 0.000 . 1 . . . . . . . . 6385 1 738 . 1 1 90 90 LEU CA C 13 51.478 0.000 . 1 . . . . . . . . 6385 1 739 . 1 1 90 90 LEU HA H 1 4.443 0.000 . 1 . . . . . . . . 6385 1 740 . 1 1 90 90 LEU CB C 13 41.631 0.000 . 1 . . . . . . . . 6385 1 741 . 1 1 90 90 LEU HB2 H 1 1.651 0.004 . 1 . . . . . . . . 6385 1 742 . 1 1 90 90 LEU HB3 H 1 0.942 0.006 . 1 . . . . . . . . 6385 1 743 . 1 1 90 90 LEU CG C 13 23.433 0.000 . 1 . . . . . . . . 6385 1 744 . 1 1 90 90 LEU HG H 1 1.456 0.001 . 1 . . . . . . . . 6385 1 745 . 1 1 90 90 LEU HD11 H 1 0.732 0.002 . 1 . . . . . . . . 6385 1 746 . 1 1 90 90 LEU HD12 H 1 0.732 0.002 . 1 . . . . . . . . 6385 1 747 . 1 1 90 90 LEU HD13 H 1 0.732 0.002 . 1 . . . . . . . . 6385 1 748 . 1 1 90 90 LEU HD21 H 1 0.720 0.000 . 1 . . . . . . . . 6385 1 749 . 1 1 90 90 LEU HD22 H 1 0.720 0.000 . 1 . . . . . . . . 6385 1 750 . 1 1 90 90 LEU HD23 H 1 0.720 0.000 . 1 . . . . . . . . 6385 1 751 . 1 1 90 90 LEU CD1 C 13 24.462 0.003 . 1 . . . . . . . . 6385 1 752 . 1 1 90 90 LEU CD2 C 13 20.845 0.000 . 1 . . . . . . . . 6385 1 753 . 1 1 91 91 ASP CA C 13 49.397 0.000 . 1 . . . . . . . . 6385 1 754 . 1 1 91 91 ASP HA H 1 4.398 0.001 . 1 . . . . . . . . 6385 1 755 . 1 1 91 91 ASP CB C 13 37.231 0.000 . 1 . . . . . . . . 6385 1 756 . 1 1 91 91 ASP HB2 H 1 2.978 0.002 . 1 . . . . . . . . 6385 1 757 . 1 1 91 91 ASP HB3 H 1 2.364 0.002 . 1 . . . . . . . . 6385 1 758 . 1 1 92 92 ASN CA C 13 48.878 0.000 . 1 . . . . . . . . 6385 1 759 . 1 1 92 92 ASN HA H 1 5.151 0.000 . 1 . . . . . . . . 6385 1 760 . 1 1 92 92 ASN CB C 13 40.338 0.000 . 1 . . . . . . . . 6385 1 761 . 1 1 92 92 ASN HB2 H 1 2.558 0.002 . 1 . . . . . . . . 6385 1 762 . 1 1 93 93 PRO CD C 13 49.319 0.000 . 1 . . . . . . . . 6385 1 763 . 1 1 93 93 PRO CA C 13 61.700 0.000 . 1 . . . . . . . . 6385 1 764 . 1 1 93 93 PRO HA H 1 4.760 0.000 . 1 . . . . . . . . 6385 1 765 . 1 1 93 93 PRO CB C 13 29.948 0.000 . 1 . . . . . . . . 6385 1 766 . 1 1 93 93 PRO HB2 H 1 2.297 0.000 . 1 . . . . . . . . 6385 1 767 . 1 1 93 93 PRO HB3 H 1 2.087 0.000 . 1 . . . . . . . . 6385 1 768 . 1 1 93 93 PRO CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 769 . 1 1 93 93 PRO HG2 H 1 1.939 0.000 . 1 . . . . . . . . 6385 1 770 . 1 1 93 93 PRO HD2 H 1 3.728 0.003 . 1 . . . . . . . . 6385 1 771 . 1 1 94 94 ASP CA C 13 51.468 0.000 . 1 . . . . . . . . 6385 1 772 . 1 1 94 94 ASP HA H 1 4.692 0.000 . 1 . . . . . . . . 6385 1 773 . 1 1 94 94 ASP CB C 13 39.560 0.000 . 1 . . . . . . . . 6385 1 774 . 1 1 94 94 ASP HB2 H 1 2.679 0.013 . 1 . . . . . . . . 6385 1 775 . 1 1 94 94 ASP HB3 H 1 2.419 0.000 . 1 . . . . . . . . 6385 1 776 . 1 1 95 95 ALA CA C 13 48.358 0.000 . 1 . . . . . . . . 6385 1 777 . 1 1 95 95 ALA HA H 1 4.341 0.000 . 1 . . . . . . . . 6385 1 778 . 1 1 95 95 ALA HB1 H 1 1.326 0.001 . 1 . . . . . . . . 6385 1 779 . 1 1 95 95 ALA HB2 H 1 1.326 0.001 . 1 . . . . . . . . 6385 1 780 . 1 1 95 95 ALA HB3 H 1 1.326 0.001 . 1 . . . . . . . . 6385 1 781 . 1 1 95 95 ALA CB C 13 20.023 0.000 . 1 . . . . . . . . 6385 1 782 . 1 1 96 96 PHE CA C 13 52.425 0.000 . 1 . . . . . . . . 6385 1 783 . 1 1 96 96 PHE HA H 1 5.214 0.000 . 1 . . . . . . . . 6385 1 784 . 1 1 96 96 PHE CB C 13 38.525 0.000 . 1 . . . . . . . . 6385 1 785 . 1 1 96 96 PHE HB2 H 1 2.829 0.000 . 1 . . . . . . . . 6385 1 786 . 1 1 96 96 PHE HB3 H 1 2.517 0.000 . 1 . . . . . . . . 6385 1 787 . 1 1 96 96 PHE HD1 H 1 6.530 0.000 . 1 . . . . . . . . 6385 1 788 . 1 1 96 96 PHE HE1 H 1 7.113 0.000 . 1 . . . . . . . . 6385 1 789 . 1 1 96 96 PHE CD1 C 13 128.972 0.000 . 1 . . . . . . . . 6385 1 790 . 1 1 96 96 PHE CE1 C 13 126.641 0.000 . 1 . . . . . . . . 6385 1 791 . 1 1 96 96 PHE CZ C 13 127.930 0.000 . 1 . . . . . . . . 6385 1 792 . 1 1 96 96 PHE HZ H 1 7.153 0.003 . 1 . . . . . . . . 6385 1 793 . 1 1 97 97 TYR CA C 13 55.050 0.000 . 1 . . . . . . . . 6385 1 794 . 1 1 97 97 TYR HA H 1 5.213 0.000 . 1 . . . . . . . . 6385 1 795 . 1 1 97 97 TYR CB C 13 42.624 0.000 . 1 . . . . . . . . 6385 1 796 . 1 1 97 97 TYR HB2 H 1 2.850 0.001 . 1 . . . . . . . . 6385 1 797 . 1 1 97 97 TYR HB3 H 1 2.307 0.000 . 1 . . . . . . . . 6385 1 798 . 1 1 97 97 TYR HD1 H 1 6.624 0.000 . 1 . . . . . . . . 6385 1 799 . 1 1 97 97 TYR HE1 H 1 6.399 0.004 . 1 . . . . . . . . 6385 1 800 . 1 1 97 97 TYR CD1 C 13 129.893 0.000 . 1 . . . . . . . . 6385 1 801 . 1 1 97 97 TYR CE1 C 13 117.541 0.000 . 1 . . . . . . . . 6385 1 802 . 1 1 98 98 TYR CA C 13 53.461 0.000 . 1 . . . . . . . . 6385 1 803 . 1 1 98 98 TYR HA H 1 4.460 0.000 . 1 . . . . . . . . 6385 1 804 . 1 1 98 98 TYR CB C 13 38.447 0.000 . 1 . . . . . . . . 6385 1 805 . 1 1 98 98 TYR HB2 H 1 3.225 0.001 . 1 . . . . . . . . 6385 1 806 . 1 1 98 98 TYR HB3 H 1 3.033 0.002 . 1 . . . . . . . . 6385 1 807 . 1 1 98 98 TYR HD1 H 1 6.916 0.003 . 1 . . . . . . . . 6385 1 808 . 1 1 98 98 TYR HE1 H 1 6.674 0.001 . 1 . . . . . . . . 6385 1 809 . 1 1 98 98 TYR CD1 C 13 132.964 0.000 . 1 . . . . . . . . 6385 1 810 . 1 1 98 98 TYR CE1 C 13 117.311 0.000 . 1 . . . . . . . . 6385 1 811 . 1 1 99 99 PHE CA C 13 51.908 0.000 . 1 . . . . . . . . 6385 1 812 . 1 1 99 99 PHE HA H 1 5.674 0.000 . 1 . . . . . . . . 6385 1 813 . 1 1 99 99 PHE CB C 13 36.972 0.000 . 1 . . . . . . . . 6385 1 814 . 1 1 99 99 PHE HB2 H 1 3.602 0.000 . 1 . . . . . . . . 6385 1 815 . 1 1 99 99 PHE HB3 H 1 3.175 0.010 . 1 . . . . . . . . 6385 1 816 . 1 1 99 99 PHE HD1 H 1 7.882 0.001 . 1 . . . . . . . . 6385 1 817 . 1 1 99 99 PHE HE1 H 1 7.109 0.002 . 1 . . . . . . . . 6385 1 818 . 1 1 99 99 PHE CD1 C 13 130.130 0.000 . 1 . . . . . . . . 6385 1 819 . 1 1 99 99 PHE CE1 C 13 128.580 0.000 . 1 . . . . . . . . 6385 1 820 . 1 1 99 99 PHE CZ C 13 126.896 0.000 . 1 . . . . . . . . 6385 1 821 . 1 1 99 99 PHE HZ H 1 6.598 0.007 . 1 . . . . . . . . 6385 1 822 . 1 1 100 100 PRO CD C 13 48.801 0.000 . 1 . . . . . . . . 6385 1 823 . 1 1 100 100 PRO CA C 13 61.226 0.000 . 1 . . . . . . . . 6385 1 824 . 1 1 100 100 PRO HA H 1 4.557 0.001 . 1 . . . . . . . . 6385 1 825 . 1 1 100 100 PRO CB C 13 29.724 0.000 . 1 . . . . . . . . 6385 1 826 . 1 1 100 100 PRO HB2 H 1 2.215 0.000 . 1 . . . . . . . . 6385 1 827 . 1 1 100 100 PRO HB3 H 1 2.062 0.000 . 1 . . . . . . . . 6385 1 828 . 1 1 100 100 PRO CG C 13 24.986 0.000 . 1 . . . . . . . . 6385 1 829 . 1 1 100 100 PRO HG2 H 1 2.087 0.000 . 1 . . . . . . . . 6385 1 830 . 1 1 100 100 PRO HG3 H 1 1.919 0.000 . 1 . . . . . . . . 6385 1 831 . 1 1 100 100 PRO HD2 H 1 4.241 0.001 . 1 . . . . . . . . 6385 1 832 . 1 1 100 100 PRO HD3 H 1 3.641 0.007 . 1 . . . . . . . . 6385 1 833 . 1 1 101 101 ASP CA C 13 51.390 0.000 . 1 . . . . . . . . 6385 1 834 . 1 1 101 101 ASP HA H 1 4.695 0.002 . 1 . . . . . . . . 6385 1 835 . 1 1 101 101 ASP CB C 13 39.041 0.000 . 1 . . . . . . . . 6385 1 836 . 1 1 101 101 ASP HB2 H 1 2.666 0.000 . 1 . . . . . . . . 6385 1 837 . 1 1 102 102 SER CA C 13 56.049 0.000 . 1 . . . . . . . . 6385 1 838 . 1 1 102 102 SER HA H 1 4.524 0.002 . 1 . . . . . . . . 6385 1 839 . 1 1 102 102 SER CB C 13 62.262 0.000 . 1 . . . . . . . . 6385 1 840 . 1 1 102 102 SER HB2 H 1 4.006 0.003 . 1 . . . . . . . . 6385 1 841 . 1 1 102 102 SER HB3 H 1 3.951 0.002 . 1 . . . . . . . . 6385 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 6385 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6385 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 118.431 0.000 . 1 . . . . . . . . 6385 2 2 . 1 1 1 1 MET H H 1 8.604 0.008 . 1 . . . . . . . . 6385 2 3 . 1 1 1 1 MET HA H 1 4.448 0.000 . 1 . . . . . . . . 6385 2 4 . 1 1 1 1 MET HB2 H 1 2.611 0.000 . 1 . . . . . . . . 6385 2 5 . 1 1 1 1 MET HG2 H 1 2.082 0.000 . 1 . . . . . . . . 6385 2 6 . 1 1 2 2 GLU N N 15 120.414 0.000 . 1 . . . . . . . . 6385 2 7 . 1 1 2 2 GLU H H 1 8.486 0.000 . 1 . . . . . . . . 6385 2 8 . 1 1 2 2 GLU HA H 1 4.396 0.000 . 1 . . . . . . . . 6385 2 9 . 1 1 2 2 GLU HB2 H 1 2.090 0.000 . 1 . . . . . . . . 6385 2 10 . 1 1 2 2 GLU HG2 H 1 2.334 0.000 . 1 . . . . . . . . 6385 2 11 . 1 1 3 3 THR N N 15 112.816 0.000 . 1 . . . . . . . . 6385 2 12 . 1 1 3 3 THR H H 1 8.034 0.009 . 1 . . . . . . . . 6385 2 13 . 1 1 3 3 THR HA H 1 4.395 0.000 . 1 . . . . . . . . 6385 2 14 . 1 1 3 3 THR HB H 1 4.379 0.000 . 1 . . . . . . . . 6385 2 15 . 1 1 3 3 THR HG21 H 1 1.219 0.000 . 1 . . . . . . . . 6385 2 16 . 1 1 3 3 THR HG22 H 1 1.219 0.000 . 1 . . . . . . . . 6385 2 17 . 1 1 3 3 THR HG23 H 1 1.219 0.000 . 1 . . . . . . . . 6385 2 18 . 1 1 4 4 ILE N N 15 123.497 0.000 . 1 . . . . . . . . 6385 2 19 . 1 1 4 4 ILE H H 1 7.919 0.009 . 1 . . . . . . . . 6385 2 20 . 1 1 4 4 ILE HA H 1 4.090 0.000 . 1 . . . . . . . . 6385 2 21 . 1 1 4 4 ILE HB H 1 1.844 0.000 . 1 . . . . . . . . 6385 2 22 . 1 1 4 4 ILE HG12 H 1 1.543 0.000 . 1 . . . . . . . . 6385 2 23 . 1 1 4 4 ILE HG13 H 1 1.161 0.000 . 1 . . . . . . . . 6385 2 24 . 1 1 4 4 ILE HD11 H 1 0.853 0.000 . 1 . . . . . . . . 6385 2 25 . 1 1 4 4 ILE HD12 H 1 0.853 0.000 . 1 . . . . . . . . 6385 2 26 . 1 1 4 4 ILE HD13 H 1 0.853 0.000 . 1 . . . . . . . . 6385 2 27 . 1 1 5 5 ASP N N 15 126.109 0.000 . 1 . . . . . . . . 6385 2 28 . 1 1 5 5 ASP H H 1 8.383 0.008 . 1 . . . . . . . . 6385 2 29 . 1 1 5 5 ASP HA H 1 4.760 0.000 . 1 . . . . . . . . 6385 2 30 . 1 1 5 5 ASP HB2 H 1 2.941 0.000 . 1 . . . . . . . . 6385 2 31 . 1 1 5 5 ASP HB3 H 1 2.584 0.000 . 1 . . . . . . . . 6385 2 32 . 1 1 6 6 LEU N N 15 127.094 0.000 . 1 . . . . . . . . 6385 2 33 . 1 1 6 6 LEU H H 1 8.744 0.000 . 1 . . . . . . . . 6385 2 34 . 1 1 6 6 LEU HA H 1 3.844 0.000 . 1 . . . . . . . . 6385 2 35 . 1 1 6 6 LEU HB2 H 1 1.828 0.000 . 1 . . . . . . . . 6385 2 36 . 1 1 6 6 LEU HB3 H 1 1.272 0.000 . 1 . . . . . . . . 6385 2 37 . 1 1 6 6 LEU HG H 1 1.844 0.000 . 1 . . . . . . . . 6385 2 38 . 1 1 6 6 LEU HD11 H 1 0.814 0.000 . 1 . . . . . . . . 6385 2 39 . 1 1 6 6 LEU HD12 H 1 0.814 0.000 . 1 . . . . . . . . 6385 2 40 . 1 1 6 6 LEU HD13 H 1 0.814 0.000 . 1 . . . . . . . . 6385 2 41 . 1 1 6 6 LEU HD21 H 1 0.961 0.008 . 1 . . . . . . . . 6385 2 42 . 1 1 6 6 LEU HD22 H 1 0.961 0.008 . 1 . . . . . . . . 6385 2 43 . 1 1 6 6 LEU HD23 H 1 0.961 0.008 . 1 . . . . . . . . 6385 2 44 . 1 1 7 7 GLY N N 15 105.905 0.000 . 1 . . . . . . . . 6385 2 45 . 1 1 7 7 GLY H H 1 8.281 0.010 . 1 . . . . . . . . 6385 2 46 . 1 1 7 7 GLY HA2 H 1 3.921 0.000 . 1 . . . . . . . . 6385 2 47 . 1 1 7 7 GLY HA3 H 1 3.542 0.002 . 1 . . . . . . . . 6385 2 48 . 1 1 8 8 ALA N N 15 124.591 0.000 . 1 . . . . . . . . 6385 2 49 . 1 1 8 8 ALA H H 1 7.741 0.000 . 1 . . . . . . . . 6385 2 50 . 1 1 8 8 ALA HA H 1 4.136 0.000 . 1 . . . . . . . . 6385 2 51 . 1 1 8 8 ALA HB1 H 1 1.447 0.000 . 1 . . . . . . . . 6385 2 52 . 1 1 8 8 ALA HB2 H 1 1.447 0.000 . 1 . . . . . . . . 6385 2 53 . 1 1 8 8 ALA HB3 H 1 1.447 0.000 . 1 . . . . . . . . 6385 2 54 . 1 1 9 9 LEU N N 15 121.405 0.000 . 1 . . . . . . . . 6385 2 55 . 1 1 9 9 LEU H H 1 7.899 0.009 . 1 . . . . . . . . 6385 2 56 . 1 1 9 9 LEU HA H 1 4.151 0.013 . 1 . . . . . . . . 6385 2 57 . 1 1 9 9 LEU HB2 H 1 1.792 0.000 . 1 . . . . . . . . 6385 2 58 . 1 1 9 9 LEU HB3 H 1 1.711 0.005 . 1 . . . . . . . . 6385 2 59 . 1 1 9 9 LEU HD11 H 1 0.918 0.004 . 1 . . . . . . . . 6385 2 60 . 1 1 9 9 LEU HD12 H 1 0.918 0.004 . 1 . . . . . . . . 6385 2 61 . 1 1 9 9 LEU HD13 H 1 0.918 0.004 . 1 . . . . . . . . 6385 2 62 . 1 1 9 9 LEU HD21 H 1 0.765 0.000 . 1 . . . . . . . . 6385 2 63 . 1 1 9 9 LEU HD22 H 1 0.765 0.000 . 1 . . . . . . . . 6385 2 64 . 1 1 9 9 LEU HD23 H 1 0.765 0.000 . 1 . . . . . . . . 6385 2 65 . 1 1 10 10 TYR N N 15 120.153 0.000 . 1 . . . . . . . . 6385 2 66 . 1 1 10 10 TYR H H 1 8.361 0.008 . 1 . . . . . . . . 6385 2 67 . 1 1 10 10 TYR HA H 1 3.989 0.000 . 1 . . . . . . . . 6385 2 68 . 1 1 10 10 TYR HB2 H 1 2.809 0.000 . 1 . . . . . . . . 6385 2 69 . 1 1 10 10 TYR HB3 H 1 2.462 0.000 . 1 . . . . . . . . 6385 2 70 . 1 1 10 10 TYR HD1 H 1 6.919 0.003 . 1 . . . . . . . . 6385 2 71 . 1 1 11 11 LEU N N 15 116.336 0.010 . 1 . . . . . . . . 6385 2 72 . 1 1 11 11 LEU H H 1 7.446 0.005 . 1 . . . . . . . . 6385 2 73 . 1 1 11 11 LEU HA H 1 3.455 0.000 . 1 . . . . . . . . 6385 2 74 . 1 1 11 11 LEU HB2 H 1 1.813 0.000 . 1 . . . . . . . . 6385 2 75 . 1 1 11 11 LEU HB3 H 1 1.408 0.000 . 1 . . . . . . . . 6385 2 76 . 1 1 11 11 LEU HG H 1 0.790 0.000 . 1 . . . . . . . . 6385 2 77 . 1 1 11 11 LEU HD11 H 1 0.904 0.000 . 1 . . . . . . . . 6385 2 78 . 1 1 11 11 LEU HD12 H 1 0.904 0.000 . 1 . . . . . . . . 6385 2 79 . 1 1 11 11 LEU HD13 H 1 0.904 0.000 . 1 . . . . . . . . 6385 2 80 . 1 1 12 12 SER N N 15 115.715 0.000 . 1 . . . . . . . . 6385 2 81 . 1 1 12 12 SER H H 1 7.838 0.000 . 1 . . . . . . . . 6385 2 82 . 1 1 12 12 SER HA H 1 4.301 0.000 . 1 . . . . . . . . 6385 2 83 . 1 1 12 12 SER HB2 H 1 4.247 0.000 . 1 . . . . . . . . 6385 2 84 . 1 1 12 12 SER HB3 H 1 4.159 0.000 . 1 . . . . . . . . 6385 2 85 . 1 1 13 13 MET N N 15 121.299 0.000 . 1 . . . . . . . . 6385 2 86 . 1 1 13 13 MET H H 1 8.041 0.000 . 1 . . . . . . . . 6385 2 87 . 1 1 13 13 MET HA H 1 2.918 0.000 . 1 . . . . . . . . 6385 2 88 . 1 1 13 13 MET HB2 H 1 1.780 0.000 . 1 . . . . . . . . 6385 2 89 . 1 1 13 13 MET HB3 H 1 1.530 0.000 . 1 . . . . . . . . 6385 2 90 . 1 1 13 13 MET HG2 H 1 2.045 0.000 . 1 . . . . . . . . 6385 2 91 . 1 1 13 13 MET HG3 H 1 1.083 0.000 . 1 . . . . . . . . 6385 2 92 . 1 1 14 14 LYS N N 15 115.482 0.000 . 1 . . . . . . . . 6385 2 93 . 1 1 14 14 LYS H H 1 7.145 0.002 . 1 . . . . . . . . 6385 2 94 . 1 1 14 14 LYS HA H 1 3.882 0.000 . 1 . . . . . . . . 6385 2 95 . 1 1 14 14 LYS HB2 H 1 1.149 0.000 . 1 . . . . . . . . 6385 2 96 . 1 1 14 14 LYS HG2 H 1 0.521 0.000 . 1 . . . . . . . . 6385 2 97 . 1 1 14 14 LYS HG3 H 1 0.468 0.000 . 1 . . . . . . . . 6385 2 98 . 1 1 14 14 LYS HD2 H 1 0.829 0.000 . 1 . . . . . . . . 6385 2 99 . 1 1 14 14 LYS HE2 H 1 2.593 0.000 . 1 . . . . . . . . 6385 2 100 . 1 1 15 15 ASP N N 15 121.672 0.000 . 1 . . . . . . . . 6385 2 101 . 1 1 15 15 ASP H H 1 6.872 0.010 . 1 . . . . . . . . 6385 2 102 . 1 1 15 15 ASP HA H 1 4.361 0.000 . 1 . . . . . . . . 6385 2 103 . 1 1 15 15 ASP HB2 H 1 2.753 0.000 . 1 . . . . . . . . 6385 2 104 . 1 1 15 15 ASP HB3 H 1 2.624 0.003 . 1 . . . . . . . . 6385 2 105 . 1 1 16 16 THR N N 15 119.800 0.000 . 1 . . . . . . . . 6385 2 106 . 1 1 16 16 THR H H 1 8.501 0.000 . 1 . . . . . . . . 6385 2 107 . 1 1 16 16 THR HA H 1 3.990 0.000 . 1 . . . . . . . . 6385 2 108 . 1 1 16 16 THR HB H 1 4.283 0.000 . 1 . . . . . . . . 6385 2 109 . 1 1 16 16 THR HG21 H 1 1.365 0.000 . 1 . . . . . . . . 6385 2 110 . 1 1 16 16 THR HG22 H 1 1.365 0.000 . 1 . . . . . . . . 6385 2 111 . 1 1 16 16 THR HG23 H 1 1.365 0.000 . 1 . . . . . . . . 6385 2 112 . 1 1 17 17 GLU N N 15 119.524 0.000 . 1 . . . . . . . . 6385 2 113 . 1 1 17 17 GLU H H 1 8.231 0.000 . 1 . . . . . . . . 6385 2 114 . 1 1 17 17 GLU HA H 1 4.510 0.000 . 1 . . . . . . . . 6385 2 115 . 1 1 17 17 GLU HB2 H 1 2.093 0.000 . 1 . . . . . . . . 6385 2 116 . 1 1 17 17 GLU HG2 H 1 2.284 0.000 . 1 . . . . . . . . 6385 2 117 . 1 1 17 17 GLU HG3 H 1 2.205 0.000 . 1 . . . . . . . . 6385 2 118 . 1 1 18 18 LYS N N 15 117.476 0.000 . 1 . . . . . . . . 6385 2 119 . 1 1 18 18 LYS H H 1 8.986 0.000 . 1 . . . . . . . . 6385 2 120 . 1 1 18 18 LYS HA H 1 4.690 0.000 . 1 . . . . . . . . 6385 2 121 . 1 1 18 18 LYS HB2 H 1 2.146 0.000 . 1 . . . . . . . . 6385 2 122 . 1 1 18 18 LYS HB3 H 1 1.869 0.000 . 1 . . . . . . . . 6385 2 123 . 1 1 18 18 LYS HG2 H 1 1.473 0.000 . 1 . . . . . . . . 6385 2 124 . 1 1 19 19 GLY N N 15 109.526 0.000 . 1 . . . . . . . . 6385 2 125 . 1 1 19 19 GLY H H 1 7.633 0.000 . 1 . . . . . . . . 6385 2 126 . 1 1 19 19 GLY HA2 H 1 4.315 0.002 . 1 . . . . . . . . 6385 2 127 . 1 1 19 19 GLY HA3 H 1 4.017 0.000 . 1 . . . . . . . . 6385 2 128 . 1 1 20 20 ILE N N 15 119.753 0.000 . 1 . . . . . . . . 6385 2 129 . 1 1 20 20 ILE H H 1 7.964 0.000 . 1 . . . . . . . . 6385 2 130 . 1 1 20 20 ILE HA H 1 3.648 0.001 . 1 . . . . . . . . 6385 2 131 . 1 1 20 20 ILE HB H 1 0.949 0.000 . 1 . . . . . . . . 6385 2 132 . 1 1 20 20 ILE HG21 H 1 0.028 0.000 . 1 . . . . . . . . 6385 2 133 . 1 1 20 20 ILE HG22 H 1 0.028 0.000 . 1 . . . . . . . . 6385 2 134 . 1 1 20 20 ILE HG23 H 1 0.028 0.000 . 1 . . . . . . . . 6385 2 135 . 1 1 20 20 ILE HG12 H 1 0.724 0.000 . 1 . . . . . . . . 6385 2 136 . 1 1 20 20 ILE HG13 H 1 0.476 0.000 . 1 . . . . . . . . 6385 2 137 . 1 1 20 20 ILE HD11 H 1 0.226 0.000 . 1 . . . . . . . . 6385 2 138 . 1 1 20 20 ILE HD12 H 1 0.226 0.000 . 1 . . . . . . . . 6385 2 139 . 1 1 20 20 ILE HD13 H 1 0.226 0.000 . 1 . . . . . . . . 6385 2 140 . 1 1 21 21 LYS N N 15 126.800 0.000 . 1 . . . . . . . . 6385 2 141 . 1 1 21 21 LYS H H 1 8.153 0.008 . 1 . . . . . . . . 6385 2 142 . 1 1 21 21 LYS HA H 1 4.393 0.000 . 1 . . . . . . . . 6385 2 143 . 1 1 21 21 LYS HB2 H 1 1.846 0.000 . 1 . . . . . . . . 6385 2 144 . 1 1 21 21 LYS HG2 H 1 1.862 0.000 . 1 . . . . . . . . 6385 2 145 . 1 1 21 21 LYS HD2 H 1 1.528 0.000 . 1 . . . . . . . . 6385 2 146 . 1 1 22 22 GLU N N 15 122.726 0.000 . 1 . . . . . . . . 6385 2 147 . 1 1 22 22 GLU H H 1 8.520 0.016 . 1 . . . . . . . . 6385 2 148 . 1 1 22 22 GLU HA H 1 4.476 0.000 . 1 . . . . . . . . 6385 2 149 . 1 1 22 22 GLU HB2 H 1 2.143 0.000 . 1 . . . . . . . . 6385 2 150 . 1 1 22 22 GLU HG2 H 1 2.537 0.000 . 1 . . . . . . . . 6385 2 151 . 1 1 22 22 GLU HG3 H 1 2.374 0.000 . 1 . . . . . . . . 6385 2 152 . 1 1 23 23 LEU N N 15 123.800 0.000 . 1 . . . . . . . . 6385 2 153 . 1 1 23 23 LEU H H 1 9.284 0.000 . 1 . . . . . . . . 6385 2 154 . 1 1 23 23 LEU HA H 1 4.623 0.000 . 1 . . . . . . . . 6385 2 155 . 1 1 23 23 LEU HB2 H 1 1.771 0.000 . 1 . . . . . . . . 6385 2 156 . 1 1 23 23 LEU HB3 H 1 1.516 0.000 . 1 . . . . . . . . 6385 2 157 . 1 1 23 23 LEU HG H 1 1.035 0.000 . 1 . . . . . . . . 6385 2 158 . 1 1 23 23 LEU HD11 H 1 1.013 0.000 . 1 . . . . . . . . 6385 2 159 . 1 1 23 23 LEU HD12 H 1 1.013 0.000 . 1 . . . . . . . . 6385 2 160 . 1 1 23 23 LEU HD13 H 1 1.013 0.000 . 1 . . . . . . . . 6385 2 161 . 1 1 24 24 ASN N N 15 119.092 0.000 . 1 . . . . . . . . 6385 2 162 . 1 1 24 24 ASN H H 1 8.462 0.000 . 1 . . . . . . . . 6385 2 163 . 1 1 24 24 ASN HA H 1 5.251 0.000 . 1 . . . . . . . . 6385 2 164 . 1 1 24 24 ASN HB2 H 1 2.766 0.000 . 1 . . . . . . . . 6385 2 165 . 1 1 24 24 ASN ND2 N 15 112.595 0.000 . 1 . . . . . . . . 6385 2 166 . 1 1 24 24 ASN HD21 H 1 7.572 0.000 . 1 . . . . . . . . 6385 2 167 . 1 1 24 24 ASN HD22 H 1 6.891 0.000 . 1 . . . . . . . . 6385 2 168 . 1 1 25 25 LEU N N 15 124.500 0.000 . 1 . . . . . . . . 6385 2 169 . 1 1 25 25 LEU H H 1 8.204 0.000 . 1 . . . . . . . . 6385 2 170 . 1 1 25 25 LEU HA H 1 4.483 0.000 . 1 . . . . . . . . 6385 2 171 . 1 1 25 25 LEU HB2 H 1 1.346 0.000 . 1 . . . . . . . . 6385 2 172 . 1 1 25 25 LEU HG H 1 0.769 0.000 . 1 . . . . . . . . 6385 2 173 . 1 1 25 25 LEU HD11 H 1 0.474 0.000 . 1 . . . . . . . . 6385 2 174 . 1 1 25 25 LEU HD12 H 1 0.474 0.000 . 1 . . . . . . . . 6385 2 175 . 1 1 25 25 LEU HD13 H 1 0.474 0.000 . 1 . . . . . . . . 6385 2 176 . 1 1 25 25 LEU HD21 H 1 0.779 0.000 . 1 . . . . . . . . 6385 2 177 . 1 1 25 25 LEU HD22 H 1 0.779 0.000 . 1 . . . . . . . . 6385 2 178 . 1 1 25 25 LEU HD23 H 1 0.779 0.000 . 1 . . . . . . . . 6385 2 179 . 1 1 26 26 GLU N N 15 121.100 0.000 . 1 . . . . . . . . 6385 2 180 . 1 1 26 26 GLU H H 1 8.451 0.000 . 1 . . . . . . . . 6385 2 181 . 1 1 26 26 GLU HA H 1 4.902 0.000 . 1 . . . . . . . . 6385 2 182 . 1 1 26 26 GLU HB2 H 1 2.048 0.000 . 1 . . . . . . . . 6385 2 183 . 1 1 26 26 GLU HB3 H 1 1.889 0.000 . 1 . . . . . . . . 6385 2 184 . 1 1 27 27 LYS N N 15 123.000 0.000 . 1 . . . . . . . . 6385 2 185 . 1 1 27 27 LYS H H 1 8.680 0.001 . 1 . . . . . . . . 6385 2 186 . 1 1 27 27 LYS HA H 1 4.390 0.000 . 1 . . . . . . . . 6385 2 187 . 1 1 27 27 LYS HB2 H 1 1.847 0.000 . 1 . . . . . . . . 6385 2 188 . 1 1 27 27 LYS HG2 H 1 1.361 0.000 . 1 . . . . . . . . 6385 2 189 . 1 1 27 27 LYS HD2 H 1 1.616 0.000 . 1 . . . . . . . . 6385 2 190 . 1 1 28 28 ASP N N 15 124.157 0.000 . 1 . . . . . . . . 6385 2 191 . 1 1 28 28 ASP H H 1 9.050 0.000 . 1 . . . . . . . . 6385 2 192 . 1 1 28 28 ASP HA H 1 4.422 0.013 . 1 . . . . . . . . 6385 2 193 . 1 1 28 28 ASP HB2 H 1 2.895 0.000 . 1 . . . . . . . . 6385 2 194 . 1 1 29 29 LYS N N 15 113.697 0.000 . 1 . . . . . . . . 6385 2 195 . 1 1 29 29 LYS H H 1 8.459 0.000 . 1 . . . . . . . . 6385 2 196 . 1 1 29 29 LYS HA H 1 4.043 0.000 . 1 . . . . . . . . 6385 2 197 . 1 1 29 29 LYS HB2 H 1 1.986 0.000 . 1 . . . . . . . . 6385 2 198 . 1 1 29 29 LYS HG2 H 1 1.405 0.000 . 1 . . . . . . . . 6385 2 199 . 1 1 30 30 LYS N N 15 121.074 0.000 . 1 . . . . . . . . 6385 2 200 . 1 1 30 30 LYS H H 1 8.038 0.000 . 1 . . . . . . . . 6385 2 201 . 1 1 30 30 LYS HA H 1 4.257 0.000 . 1 . . . . . . . . 6385 2 202 . 1 1 30 30 LYS HB2 H 1 1.776 0.000 . 1 . . . . . . . . 6385 2 203 . 1 1 30 30 LYS HB3 H 1 1.194 0.000 . 1 . . . . . . . . 6385 2 204 . 1 1 30 30 LYS HG2 H 1 1.366 0.000 . 1 . . . . . . . . 6385 2 205 . 1 1 30 30 LYS HD2 H 1 1.628 0.000 . 1 . . . . . . . . 6385 2 206 . 1 1 31 31 ILE N N 15 120.303 0.000 . 1 . . . . . . . . 6385 2 207 . 1 1 31 31 ILE H H 1 7.815 0.006 . 1 . . . . . . . . 6385 2 208 . 1 1 31 31 ILE HA H 1 4.274 0.000 . 1 . . . . . . . . 6385 2 209 . 1 1 31 31 ILE HB H 1 1.559 0.000 . 1 . . . . . . . . 6385 2 210 . 1 1 31 31 ILE HG21 H 1 0.564 0.000 . 1 . . . . . . . . 6385 2 211 . 1 1 31 31 ILE HG22 H 1 0.564 0.000 . 1 . . . . . . . . 6385 2 212 . 1 1 31 31 ILE HG23 H 1 0.564 0.000 . 1 . . . . . . . . 6385 2 213 . 1 1 31 31 ILE HG12 H 1 1.220 0.000 . 1 . . . . . . . . 6385 2 214 . 1 1 31 31 ILE HG13 H 1 0.978 0.000 . 1 . . . . . . . . 6385 2 215 . 1 1 31 31 ILE HD11 H 1 0.672 0.000 . 1 . . . . . . . . 6385 2 216 . 1 1 31 31 ILE HD12 H 1 0.672 0.000 . 1 . . . . . . . . 6385 2 217 . 1 1 31 31 ILE HD13 H 1 0.672 0.000 . 1 . . . . . . . . 6385 2 218 . 1 1 32 32 PHE N N 15 121.074 0.000 . 1 . . . . . . . . 6385 2 219 . 1 1 32 32 PHE H H 1 8.037 0.000 . 1 . . . . . . . . 6385 2 220 . 1 1 32 32 PHE HA H 1 4.475 0.000 . 1 . . . . . . . . 6385 2 221 . 1 1 32 32 PHE HB2 H 1 3.020 0.000 . 1 . . . . . . . . 6385 2 222 . 1 1 32 32 PHE HD1 H 1 6.951 0.011 . 1 . . . . . . . . 6385 2 223 . 1 1 32 32 PHE HZ H 1 7.162 0.000 . 1 . . . . . . . . 6385 2 224 . 1 1 33 33 ASN N N 15 119.983 0.009 . 1 . . . . . . . . 6385 2 225 . 1 1 33 33 ASN H H 1 8.182 0.000 . 1 . . . . . . . . 6385 2 226 . 1 1 33 33 ASN HA H 1 4.770 0.000 . 1 . . . . . . . . 6385 2 227 . 1 1 33 33 ASN HB2 H 1 2.521 0.000 . 1 . . . . . . . . 6385 2 228 . 1 1 33 33 ASN HB3 H 1 2.377 0.014 . 1 . . . . . . . . 6385 2 229 . 1 1 33 33 ASN ND2 N 15 110.944 0.000 . 1 . . . . . . . . 6385 2 230 . 1 1 33 33 ASN HD21 H 1 6.685 0.010 . 1 . . . . . . . . 6385 2 231 . 1 1 33 33 ASN HD22 H 1 7.358 0.010 . 1 . . . . . . . . 6385 2 232 . 1 1 34 34 HIS N N 15 117.550 0.000 . 1 . . . . . . . . 6385 2 233 . 1 1 34 34 HIS H H 1 8.552 0.008 . 1 . . . . . . . . 6385 2 234 . 1 1 34 34 HIS HA H 1 4.361 0.000 . 1 . . . . . . . . 6385 2 235 . 1 1 34 34 HIS HB2 H 1 3.438 0.000 . 1 . . . . . . . . 6385 2 236 . 1 1 35 35 CYS N N 15 115.569 0.000 . 1 . . . . . . . . 6385 2 237 . 1 1 35 35 CYS H H 1 8.590 0.008 . 1 . . . . . . . . 6385 2 238 . 1 1 35 35 CYS HA H 1 5.185 0.000 . 1 . . . . . . . . 6385 2 239 . 1 1 35 35 CYS HB2 H 1 2.697 0.000 . 1 . . . . . . . . 6385 2 240 . 1 1 36 36 PHE N N 15 115.478 0.007 . 1 . . . . . . . . 6385 2 241 . 1 1 36 36 PHE H H 1 8.394 0.008 . 1 . . . . . . . . 6385 2 242 . 1 1 36 36 PHE HA H 1 5.150 0.000 . 1 . . . . . . . . 6385 2 243 . 1 1 36 36 PHE HB2 H 1 3.536 0.000 . 1 . . . . . . . . 6385 2 244 . 1 1 36 36 PHE HB3 H 1 3.040 0.000 . 1 . . . . . . . . 6385 2 245 . 1 1 36 36 PHE HD1 H 1 6.714 0.000 . 1 . . . . . . . . 6385 2 246 . 1 1 36 36 PHE HE1 H 1 6.752 0.000 . 1 . . . . . . . . 6385 2 247 . 1 1 37 37 THR N N 15 110.173 0.000 . 1 . . . . . . . . 6385 2 248 . 1 1 37 37 THR H H 1 8.957 0.007 . 1 . . . . . . . . 6385 2 249 . 1 1 37 37 THR HA H 1 5.548 0.000 . 1 . . . . . . . . 6385 2 250 . 1 1 37 37 THR HB H 1 4.798 0.000 . 1 . . . . . . . . 6385 2 251 . 1 1 37 37 THR HG21 H 1 1.165 0.000 . 1 . . . . . . . . 6385 2 252 . 1 1 37 37 THR HG22 H 1 1.165 0.000 . 1 . . . . . . . . 6385 2 253 . 1 1 37 37 THR HG23 H 1 1.165 0.000 . 1 . . . . . . . . 6385 2 254 . 1 1 38 38 GLY N N 15 107.970 0.000 . 1 . . . . . . . . 6385 2 255 . 1 1 38 38 GLY H H 1 9.483 0.008 . 1 . . . . . . . . 6385 2 256 . 1 1 38 38 GLY HA2 H 1 4.859 0.008 . 1 . . . . . . . . 6385 2 257 . 1 1 38 38 GLY HA3 H 1 4.120 0.000 . 1 . . . . . . . . 6385 2 258 . 1 1 39 39 ASN N N 15 115.715 0.000 . 1 . . . . . . . . 6385 2 259 . 1 1 39 39 ASN H H 1 8.225 0.000 . 1 . . . . . . . . 6385 2 260 . 1 1 39 39 ASN HA H 1 4.827 0.000 . 1 . . . . . . . . 6385 2 261 . 1 1 39 39 ASN HB2 H 1 2.676 0.000 . 1 . . . . . . . . 6385 2 262 . 1 1 39 39 ASN HB3 H 1 2.527 0.000 . 1 . . . . . . . . 6385 2 263 . 1 1 39 39 ASN ND2 N 15 116.066 0.000 . 1 . . . . . . . . 6385 2 264 . 1 1 39 39 ASN HD21 H 1 8.103 0.000 . 1 . . . . . . . . 6385 2 265 . 1 1 39 39 ASN HD22 H 1 7.242 0.010 . 1 . . . . . . . . 6385 2 266 . 1 1 40 40 CYS N N 15 119.700 0.000 . 1 . . . . . . . . 6385 2 267 . 1 1 40 40 CYS H H 1 7.619 0.005 . 1 . . . . . . . . 6385 2 268 . 1 1 40 40 CYS HA H 1 4.364 0.000 . 1 . . . . . . . . 6385 2 269 . 1 1 40 40 CYS HB2 H 1 3.302 0.000 . 1 . . . . . . . . 6385 2 270 . 1 1 40 40 CYS HB3 H 1 3.279 0.000 . 1 . . . . . . . . 6385 2 271 . 1 1 41 41 VAL N N 15 121.244 0.000 . 1 . . . . . . . . 6385 2 272 . 1 1 41 41 VAL H H 1 7.825 0.000 . 1 . . . . . . . . 6385 2 273 . 1 1 41 41 VAL HA H 1 3.571 0.000 . 1 . . . . . . . . 6385 2 274 . 1 1 41 41 VAL HB H 1 2.521 0.000 . 1 . . . . . . . . 6385 2 275 . 1 1 41 41 VAL HG11 H 1 0.591 0.000 . 1 . . . . . . . . 6385 2 276 . 1 1 41 41 VAL HG12 H 1 0.591 0.000 . 1 . . . . . . . . 6385 2 277 . 1 1 41 41 VAL HG13 H 1 0.591 0.000 . 1 . . . . . . . . 6385 2 278 . 1 1 41 41 VAL HG21 H 1 1.191 0.000 . 1 . . . . . . . . 6385 2 279 . 1 1 41 41 VAL HG22 H 1 1.191 0.000 . 1 . . . . . . . . 6385 2 280 . 1 1 41 41 VAL HG23 H 1 1.191 0.000 . 1 . . . . . . . . 6385 2 281 . 1 1 42 42 ILE N N 15 117.584 0.000 . 1 . . . . . . . . 6385 2 282 . 1 1 42 42 ILE H H 1 7.386 0.000 . 1 . . . . . . . . 6385 2 283 . 1 1 42 42 ILE HA H 1 3.617 0.000 . 1 . . . . . . . . 6385 2 284 . 1 1 42 42 ILE HB H 1 2.175 0.000 . 1 . . . . . . . . 6385 2 285 . 1 1 42 42 ILE HG21 H 1 0.935 0.000 . 1 . . . . . . . . 6385 2 286 . 1 1 42 42 ILE HG22 H 1 0.935 0.000 . 1 . . . . . . . . 6385 2 287 . 1 1 42 42 ILE HG23 H 1 0.935 0.000 . 1 . . . . . . . . 6385 2 288 . 1 1 42 42 ILE HG12 H 1 1.418 0.000 . 1 . . . . . . . . 6385 2 289 . 1 1 42 42 ILE HG13 H 1 0.777 0.000 . 1 . . . . . . . . 6385 2 290 . 1 1 42 42 ILE HD11 H 1 0.650 0.002 . 1 . . . . . . . . 6385 2 291 . 1 1 42 42 ILE HD12 H 1 0.650 0.002 . 1 . . . . . . . . 6385 2 292 . 1 1 42 42 ILE HD13 H 1 0.650 0.002 . 1 . . . . . . . . 6385 2 293 . 1 1 43 43 ASP N N 15 119.263 0.000 . 1 . . . . . . . . 6385 2 294 . 1 1 43 43 ASP H H 1 8.819 0.000 . 1 . . . . . . . . 6385 2 295 . 1 1 43 43 ASP HA H 1 4.259 0.000 . 1 . . . . . . . . 6385 2 296 . 1 1 43 43 ASP HB2 H 1 2.960 0.000 . 1 . . . . . . . . 6385 2 297 . 1 1 43 43 ASP HB3 H 1 2.788 0.000 . 1 . . . . . . . . 6385 2 298 . 1 1 44 44 TRP N N 15 121.438 0.000 . 1 . . . . . . . . 6385 2 299 . 1 1 44 44 TRP H H 1 8.120 0.000 . 1 . . . . . . . . 6385 2 300 . 1 1 44 44 TRP HA H 1 4.014 0.023 . 1 . . . . . . . . 6385 2 301 . 1 1 44 44 TRP HB2 H 1 3.594 0.000 . 1 . . . . . . . . 6385 2 302 . 1 1 44 44 TRP HB3 H 1 3.351 0.000 . 1 . . . . . . . . 6385 2 303 . 1 1 44 44 TRP NE1 N 15 129.773 0.000 . 1 . . . . . . . . 6385 2 304 . 1 1 44 44 TRP HD1 H 1 7.177 0.021 . 1 . . . . . . . . 6385 2 305 . 1 1 44 44 TRP HE3 H 1 7.195 0.000 . 1 . . . . . . . . 6385 2 306 . 1 1 44 44 TRP HE1 H 1 10.539 0.000 . 1 . . . . . . . . 6385 2 307 . 1 1 44 44 TRP HZ3 H 1 6.875 0.000 . 1 . . . . . . . . 6385 2 308 . 1 1 44 44 TRP HZ2 H 1 7.136 0.000 . 1 . . . . . . . . 6385 2 309 . 1 1 44 44 TRP HH2 H 1 6.948 0.000 . 1 . . . . . . . . 6385 2 310 . 1 1 45 45 LEU N N 15 119.336 0.000 . 1 . . . . . . . . 6385 2 311 . 1 1 45 45 LEU H H 1 8.236 0.000 . 1 . . . . . . . . 6385 2 312 . 1 1 45 45 LEU HA H 1 3.997 0.000 . 1 . . . . . . . . 6385 2 313 . 1 1 45 45 LEU HB2 H 1 2.212 0.000 . 1 . . . . . . . . 6385 2 314 . 1 1 45 45 LEU HG H 1 1.149 0.000 . 1 . . . . . . . . 6385 2 315 . 1 1 45 45 LEU HD11 H 1 1.363 0.000 . 1 . . . . . . . . 6385 2 316 . 1 1 45 45 LEU HD12 H 1 1.363 0.000 . 1 . . . . . . . . 6385 2 317 . 1 1 45 45 LEU HD13 H 1 1.363 0.000 . 1 . . . . . . . . 6385 2 318 . 1 1 45 45 LEU HD21 H 1 0.819 0.000 . 1 . . . . . . . . 6385 2 319 . 1 1 45 45 LEU HD22 H 1 0.819 0.000 . 1 . . . . . . . . 6385 2 320 . 1 1 45 45 LEU HD23 H 1 0.819 0.000 . 1 . . . . . . . . 6385 2 321 . 1 1 46 46 VAL N N 15 117.277 0.000 . 1 . . . . . . . . 6385 2 322 . 1 1 46 46 VAL H H 1 8.330 0.000 . 1 . . . . . . . . 6385 2 323 . 1 1 46 46 VAL HA H 1 3.641 0.000 . 1 . . . . . . . . 6385 2 324 . 1 1 46 46 VAL HB H 1 2.094 0.000 . 1 . . . . . . . . 6385 2 325 . 1 1 46 46 VAL HG11 H 1 0.815 0.000 . 1 . . . . . . . . 6385 2 326 . 1 1 46 46 VAL HG12 H 1 0.815 0.000 . 1 . . . . . . . . 6385 2 327 . 1 1 46 46 VAL HG13 H 1 0.815 0.000 . 1 . . . . . . . . 6385 2 328 . 1 1 47 47 SER N N 15 117.000 0.000 . 1 . . . . . . . . 6385 2 329 . 1 1 47 47 SER H H 1 8.493 0.002 . 1 . . . . . . . . 6385 2 330 . 1 1 47 47 SER HA H 1 4.093 0.075 . 1 . . . . . . . . 6385 2 331 . 1 1 47 47 SER HB2 H 1 3.846 0.000 . 1 . . . . . . . . 6385 2 332 . 1 1 48 48 ASN N N 15 116.182 0.000 . 1 . . . . . . . . 6385 2 333 . 1 1 48 48 ASN H H 1 7.637 0.000 . 1 . . . . . . . . 6385 2 334 . 1 1 48 48 ASN HA H 1 4.452 0.007 . 1 . . . . . . . . 6385 2 335 . 1 1 48 48 ASN HB2 H 1 2.068 0.000 . 1 . . . . . . . . 6385 2 336 . 1 1 48 48 ASN HB3 H 1 1.797 0.000 . 1 . . . . . . . . 6385 2 337 . 1 1 48 48 ASN ND2 N 15 111.631 0.000 . 1 . . . . . . . . 6385 2 338 . 1 1 48 48 ASN HD21 H 1 6.281 0.010 . 1 . . . . . . . . 6385 2 339 . 1 1 48 48 ASN HD22 H 1 5.539 0.000 . 1 . . . . . . . . 6385 2 340 . 1 1 49 49 GLN N N 15 112.300 0.000 . 1 . . . . . . . . 6385 2 341 . 1 1 49 49 GLN H H 1 7.837 0.002 . 1 . . . . . . . . 6385 2 342 . 1 1 49 49 GLN HA H 1 4.025 0.007 . 1 . . . . . . . . 6385 2 343 . 1 1 49 49 GLN HB2 H 1 2.238 0.000 . 1 . . . . . . . . 6385 2 344 . 1 1 49 49 GLN HG2 H 1 2.238 0.000 . 1 . . . . . . . . 6385 2 345 . 1 1 49 49 GLN NE2 N 15 111.998 0.000 . 1 . . . . . . . . 6385 2 346 . 1 1 49 49 GLN HE21 H 1 7.373 0.010 . 1 . . . . . . . . 6385 2 347 . 1 1 49 49 GLN HE22 H 1 6.775 0.000 . 1 . . . . . . . . 6385 2 348 . 1 1 50 50 SER N N 15 115.122 0.000 . 1 . . . . . . . . 6385 2 349 . 1 1 50 50 SER H H 1 8.349 0.009 . 1 . . . . . . . . 6385 2 350 . 1 1 50 50 SER HA H 1 4.241 0.005 . 1 . . . . . . . . 6385 2 351 . 1 1 50 50 SER HB2 H 1 3.835 0.011 . 1 . . . . . . . . 6385 2 352 . 1 1 51 51 VAL N N 15 108.400 0.000 . 1 . . . . . . . . 6385 2 353 . 1 1 51 51 VAL H H 1 7.140 0.007 . 1 . . . . . . . . 6385 2 354 . 1 1 51 51 VAL HA H 1 4.513 0.000 . 1 . . . . . . . . 6385 2 355 . 1 1 51 51 VAL HB H 1 2.336 0.000 . 1 . . . . . . . . 6385 2 356 . 1 1 51 51 VAL HG11 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 357 . 1 1 51 51 VAL HG12 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 358 . 1 1 51 51 VAL HG13 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 359 . 1 1 51 51 VAL HG21 H 1 0.523 0.000 . 1 . . . . . . . . 6385 2 360 . 1 1 51 51 VAL HG22 H 1 0.523 0.000 . 1 . . . . . . . . 6385 2 361 . 1 1 51 51 VAL HG23 H 1 0.523 0.000 . 1 . . . . . . . . 6385 2 362 . 1 1 52 52 ARG N N 15 118.321 0.000 . 1 . . . . . . . . 6385 2 363 . 1 1 52 52 ARG H H 1 8.946 0.008 . 1 . . . . . . . . 6385 2 364 . 1 1 52 52 ARG HA H 1 4.223 0.000 . 1 . . . . . . . . 6385 2 365 . 1 1 52 52 ARG HB2 H 1 2.075 0.000 . 1 . . . . . . . . 6385 2 366 . 1 1 52 52 ARG HB3 H 1 1.818 0.000 . 1 . . . . . . . . 6385 2 367 . 1 1 52 52 ARG HG2 H 1 1.787 0.000 . 1 . . . . . . . . 6385 2 368 . 1 1 52 52 ARG HD2 H 1 3.249 0.000 . 1 . . . . . . . . 6385 2 369 . 1 1 53 53 ASN N N 15 109.402 0.000 . 1 . . . . . . . . 6385 2 370 . 1 1 53 53 ASN H H 1 7.301 0.000 . 1 . . . . . . . . 6385 2 371 . 1 1 53 53 ASN HA H 1 4.741 0.000 . 1 . . . . . . . . 6385 2 372 . 1 1 53 53 ASN HB2 H 1 3.217 0.000 . 1 . . . . . . . . 6385 2 373 . 1 1 53 53 ASN ND2 N 15 114.322 0.000 . 1 . . . . . . . . 6385 2 374 . 1 1 53 53 ASN HD21 H 1 7.667 0.000 . 1 . . . . . . . . 6385 2 375 . 1 1 53 53 ASN HD22 H 1 7.007 0.000 . 1 . . . . . . . . 6385 2 376 . 1 1 54 54 ARG N N 15 116.449 0.000 . 1 . . . . . . . . 6385 2 377 . 1 1 54 54 ARG H H 1 8.687 0.000 . 1 . . . . . . . . 6385 2 378 . 1 1 54 54 ARG HA H 1 3.651 0.003 . 1 . . . . . . . . 6385 2 379 . 1 1 54 54 ARG HB2 H 1 2.039 0.000 . 1 . . . . . . . . 6385 2 380 . 1 1 54 54 ARG HB3 H 1 1.833 0.002 . 1 . . . . . . . . 6385 2 381 . 1 1 54 54 ARG HG2 H 1 2.011 0.000 . 1 . . . . . . . . 6385 2 382 . 1 1 54 54 ARG HG3 H 1 1.235 0.007 . 1 . . . . . . . . 6385 2 383 . 1 1 54 54 ARG HD2 H 1 3.444 0.005 . 1 . . . . . . . . 6385 2 384 . 1 1 54 54 ARG HD3 H 1 3.035 0.000 . 1 . . . . . . . . 6385 2 385 . 1 1 54 54 ARG NE N 15 112.265 0.000 . 1 . . . . . . . . 6385 2 386 . 1 1 54 54 ARG HE H 1 9.610 0.000 . 1 . . . . . . . . 6385 2 387 . 1 1 55 55 GLN N N 15 121.088 0.000 . 1 . . . . . . . . 6385 2 388 . 1 1 55 55 GLN H H 1 8.316 0.010 . 1 . . . . . . . . 6385 2 389 . 1 1 55 55 GLN HA H 1 4.104 0.000 . 1 . . . . . . . . 6385 2 390 . 1 1 55 55 GLN HB2 H 1 2.157 0.000 . 1 . . . . . . . . 6385 2 391 . 1 1 55 55 GLN HG2 H 1 2.463 0.000 . 1 . . . . . . . . 6385 2 392 . 1 1 55 55 GLN NE2 N 15 111.935 0.000 . 1 . . . . . . . . 6385 2 393 . 1 1 55 55 GLN HE21 H 1 7.577 0.000 . 1 . . . . . . . . 6385 2 394 . 1 1 55 55 GLN HE22 H 1 6.874 0.000 . 1 . . . . . . . . 6385 2 395 . 1 1 56 56 GLU N N 15 120.900 0.000 . 1 . . . . . . . . 6385 2 396 . 1 1 56 56 GLU H H 1 8.557 0.011 . 1 . . . . . . . . 6385 2 397 . 1 1 56 56 GLU HA H 1 4.096 0.000 . 1 . . . . . . . . 6385 2 398 . 1 1 56 56 GLU HB2 H 1 2.074 0.000 . 1 . . . . . . . . 6385 2 399 . 1 1 56 56 GLU HG2 H 1 2.594 0.000 . 1 . . . . . . . . 6385 2 400 . 1 1 56 56 GLU HG3 H 1 2.335 0.000 . 1 . . . . . . . . 6385 2 401 . 1 1 57 57 GLY N N 15 104.841 0.000 . 1 . . . . . . . . 6385 2 402 . 1 1 57 57 GLY H H 1 8.136 0.000 . 1 . . . . . . . . 6385 2 403 . 1 1 57 57 GLY HA2 H 1 3.684 0.000 . 1 . . . . . . . . 6385 2 404 . 1 1 57 57 GLY HA3 H 1 3.453 0.000 . 1 . . . . . . . . 6385 2 405 . 1 1 58 58 LEU N N 15 123.654 0.000 . 1 . . . . . . . . 6385 2 406 . 1 1 58 58 LEU H H 1 8.471 0.000 . 1 . . . . . . . . 6385 2 407 . 1 1 58 58 LEU HA H 1 3.802 0.000 . 1 . . . . . . . . 6385 2 408 . 1 1 58 58 LEU HB2 H 1 1.915 0.000 . 1 . . . . . . . . 6385 2 409 . 1 1 58 58 LEU HG H 1 1.719 0.000 . 1 . . . . . . . . 6385 2 410 . 1 1 58 58 LEU HD11 H 1 1.087 0.005 . 1 . . . . . . . . 6385 2 411 . 1 1 58 58 LEU HD12 H 1 1.087 0.005 . 1 . . . . . . . . 6385 2 412 . 1 1 58 58 LEU HD13 H 1 1.087 0.005 . 1 . . . . . . . . 6385 2 413 . 1 1 59 59 MET N N 15 120.083 0.000 . 1 . . . . . . . . 6385 2 414 . 1 1 59 59 MET H H 1 7.652 0.000 . 1 . . . . . . . . 6385 2 415 . 1 1 59 59 MET HA H 1 4.179 0.000 . 1 . . . . . . . . 6385 2 416 . 1 1 59 59 MET HB2 H 1 2.802 0.000 . 1 . . . . . . . . 6385 2 417 . 1 1 59 59 MET HB3 H 1 2.675 0.000 . 1 . . . . . . . . 6385 2 418 . 1 1 59 59 MET HG2 H 1 2.632 0.000 . 1 . . . . . . . . 6385 2 419 . 1 1 59 59 MET HG3 H 1 2.326 0.000 . 1 . . . . . . . . 6385 2 420 . 1 1 59 59 MET HE1 H 1 1.901 0.001 . 1 . . . . . . . . 6385 2 421 . 1 1 59 59 MET HE2 H 1 1.901 0.001 . 1 . . . . . . . . 6385 2 422 . 1 1 59 59 MET HE3 H 1 1.901 0.001 . 1 . . . . . . . . 6385 2 423 . 1 1 60 60 ILE N N 15 120.971 0.000 . 1 . . . . . . . . 6385 2 424 . 1 1 60 60 ILE H H 1 7.935 0.001 . 1 . . . . . . . . 6385 2 425 . 1 1 60 60 ILE HA H 1 3.820 0.000 . 1 . . . . . . . . 6385 2 426 . 1 1 60 60 ILE HB H 1 1.927 0.000 . 1 . . . . . . . . 6385 2 427 . 1 1 60 60 ILE HG21 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 428 . 1 1 60 60 ILE HG22 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 429 . 1 1 60 60 ILE HG23 H 1 0.753 0.000 . 1 . . . . . . . . 6385 2 430 . 1 1 60 60 ILE HG12 H 1 1.433 0.000 . 1 . . . . . . . . 6385 2 431 . 1 1 61 61 ALA N N 15 123.307 0.000 . 1 . . . . . . . . 6385 2 432 . 1 1 61 61 ALA H H 1 8.751 0.009 . 1 . . . . . . . . 6385 2 433 . 1 1 61 61 ALA HA H 1 3.456 0.000 . 1 . . . . . . . . 6385 2 434 . 1 1 61 61 ALA HB1 H 1 -0.044 0.000 . 1 . . . . . . . . 6385 2 435 . 1 1 61 61 ALA HB2 H 1 -0.044 0.000 . 1 . . . . . . . . 6385 2 436 . 1 1 61 61 ALA HB3 H 1 -0.044 0.000 . 1 . . . . . . . . 6385 2 437 . 1 1 62 62 SER N N 15 112.375 0.000 . 1 . . . . . . . . 6385 2 438 . 1 1 62 62 SER H H 1 8.156 0.000 . 1 . . . . . . . . 6385 2 439 . 1 1 62 62 SER HA H 1 4.208 0.000 . 1 . . . . . . . . 6385 2 440 . 1 1 62 62 SER HB2 H 1 4.059 0.000 . 1 . . . . . . . . 6385 2 441 . 1 1 63 63 SER N N 15 119.794 0.000 . 1 . . . . . . . . 6385 2 442 . 1 1 63 63 SER H H 1 7.852 0.000 . 1 . . . . . . . . 6385 2 443 . 1 1 63 63 SER HA H 1 4.172 0.005 . 1 . . . . . . . . 6385 2 444 . 1 1 63 63 SER HB2 H 1 4.478 0.000 . 1 . . . . . . . . 6385 2 445 . 1 1 63 63 SER HB3 H 1 4.130 0.000 . 1 . . . . . . . . 6385 2 446 . 1 1 64 64 LEU N N 15 121.321 0.000 . 1 . . . . . . . . 6385 2 447 . 1 1 64 64 LEU H H 1 8.386 0.000 . 1 . . . . . . . . 6385 2 448 . 1 1 64 64 LEU HA H 1 4.132 0.010 . 1 . . . . . . . . 6385 2 449 . 1 1 64 64 LEU HB2 H 1 2.237 0.000 . 1 . . . . . . . . 6385 2 450 . 1 1 64 64 LEU HB3 H 1 1.820 0.000 . 1 . . . . . . . . 6385 2 451 . 1 1 64 64 LEU HG H 1 1.268 0.000 . 1 . . . . . . . . 6385 2 452 . 1 1 64 64 LEU HD11 H 1 0.759 0.000 . 1 . . . . . . . . 6385 2 453 . 1 1 64 64 LEU HD12 H 1 0.759 0.000 . 1 . . . . . . . . 6385 2 454 . 1 1 64 64 LEU HD13 H 1 0.759 0.000 . 1 . . . . . . . . 6385 2 455 . 1 1 64 64 LEU HD21 H 1 0.929 0.000 . 1 . . . . . . . . 6385 2 456 . 1 1 64 64 LEU HD22 H 1 0.929 0.000 . 1 . . . . . . . . 6385 2 457 . 1 1 64 64 LEU HD23 H 1 0.929 0.000 . 1 . . . . . . . . 6385 2 458 . 1 1 65 65 LEU N N 15 120.303 0.000 . 1 . . . . . . . . 6385 2 459 . 1 1 65 65 LEU H H 1 8.169 0.000 . 1 . . . . . . . . 6385 2 460 . 1 1 65 65 LEU HA H 1 4.548 0.000 . 1 . . . . . . . . 6385 2 461 . 1 1 65 65 LEU HB2 H 1 2.238 0.000 . 1 . . . . . . . . 6385 2 462 . 1 1 65 65 LEU HB3 H 1 1.817 0.000 . 1 . . . . . . . . 6385 2 463 . 1 1 65 65 LEU HG H 1 1.706 0.000 . 1 . . . . . . . . 6385 2 464 . 1 1 65 65 LEU HD11 H 1 1.089 0.000 . 1 . . . . . . . . 6385 2 465 . 1 1 65 65 LEU HD12 H 1 1.089 0.000 . 1 . . . . . . . . 6385 2 466 . 1 1 65 65 LEU HD13 H 1 1.089 0.000 . 1 . . . . . . . . 6385 2 467 . 1 1 66 66 ASN N N 15 119.643 0.000 . 1 . . . . . . . . 6385 2 468 . 1 1 66 66 ASN H H 1 8.894 0.000 . 1 . . . . . . . . 6385 2 469 . 1 1 66 66 ASN HA H 1 4.512 0.003 . 1 . . . . . . . . 6385 2 470 . 1 1 66 66 ASN HB2 H 1 3.076 0.000 . 1 . . . . . . . . 6385 2 471 . 1 1 66 66 ASN HB3 H 1 2.969 0.000 . 1 . . . . . . . . 6385 2 472 . 1 1 66 66 ASN ND2 N 15 110.944 0.000 . 1 . . . . . . . . 6385 2 473 . 1 1 66 66 ASN HD21 H 1 6.911 0.001 . 1 . . . . . . . . 6385 2 474 . 1 1 66 66 ASN HD22 H 1 7.619 0.000 . 1 . . . . . . . . 6385 2 475 . 1 1 67 67 GLU N N 15 115.348 0.000 . 1 . . . . . . . . 6385 2 476 . 1 1 67 67 GLU H H 1 8.078 0.000 . 1 . . . . . . . . 6385 2 477 . 1 1 67 67 GLU HA H 1 4.376 0.000 . 1 . . . . . . . . 6385 2 478 . 1 1 67 67 GLU HB2 H 1 2.268 0.000 . 1 . . . . . . . . 6385 2 479 . 1 1 67 67 GLU HB3 H 1 1.923 0.000 . 1 . . . . . . . . 6385 2 480 . 1 1 67 67 GLU HG2 H 1 2.445 0.000 . 1 . . . . . . . . 6385 2 481 . 1 1 68 68 GLY N N 15 106.139 0.000 . 1 . . . . . . . . 6385 2 482 . 1 1 68 68 GLY H H 1 7.796 0.009 . 1 . . . . . . . . 6385 2 483 . 1 1 68 68 GLY HA2 H 1 4.067 0.003 . 1 . . . . . . . . 6385 2 484 . 1 1 68 68 GLY HA3 H 1 3.772 0.000 . 1 . . . . . . . . 6385 2 485 . 1 1 69 69 TYR N N 15 118.211 0.000 . 1 . . . . . . . . 6385 2 486 . 1 1 69 69 TYR H H 1 8.068 0.000 . 1 . . . . . . . . 6385 2 487 . 1 1 69 69 TYR HA H 1 3.994 0.000 . 1 . . . . . . . . 6385 2 488 . 1 1 69 69 TYR HB2 H 1 2.900 0.000 . 1 . . . . . . . . 6385 2 489 . 1 1 69 69 TYR HB3 H 1 2.619 0.000 . 1 . . . . . . . . 6385 2 490 . 1 1 69 69 TYR HD1 H 1 6.336 0.000 . 1 . . . . . . . . 6385 2 491 . 1 1 69 69 TYR HE1 H 1 6.623 0.000 . 1 . . . . . . . . 6385 2 492 . 1 1 70 70 LEU N N 15 110.834 0.000 . 1 . . . . . . . . 6385 2 493 . 1 1 70 70 LEU H H 1 7.027 0.000 . 1 . . . . . . . . 6385 2 494 . 1 1 70 70 LEU HA H 1 5.083 0.000 . 1 . . . . . . . . 6385 2 495 . 1 1 70 70 LEU HB2 H 1 1.394 0.000 . 1 . . . . . . . . 6385 2 496 . 1 1 70 70 LEU HG H 1 1.639 0.000 . 1 . . . . . . . . 6385 2 497 . 1 1 70 70 LEU HD11 H 1 0.763 0.000 . 1 . . . . . . . . 6385 2 498 . 1 1 70 70 LEU HD12 H 1 0.763 0.000 . 1 . . . . . . . . 6385 2 499 . 1 1 70 70 LEU HD13 H 1 0.763 0.000 . 1 . . . . . . . . 6385 2 500 . 1 1 70 70 LEU HD21 H 1 1.057 0.000 . 1 . . . . . . . . 6385 2 501 . 1 1 70 70 LEU HD22 H 1 1.057 0.000 . 1 . . . . . . . . 6385 2 502 . 1 1 70 70 LEU HD23 H 1 1.057 0.000 . 1 . . . . . . . . 6385 2 503 . 1 1 71 71 GLN N N 15 117.900 0.000 . 1 . . . . . . . . 6385 2 504 . 1 1 71 71 GLN H H 1 8.690 0.001 . 1 . . . . . . . . 6385 2 505 . 1 1 71 71 GLN HA H 1 4.872 0.000 . 1 . . . . . . . . 6385 2 506 . 1 1 71 71 GLN HB2 H 1 1.084 0.000 . 1 . . . . . . . . 6385 2 507 . 1 1 71 71 GLN HG2 H 1 1.833 0.000 . 1 . . . . . . . . 6385 2 508 . 1 1 71 71 GLN HG3 H 1 0.741 0.000 . 1 . . . . . . . . 6385 2 509 . 1 1 71 71 GLN NE2 N 15 112.595 0.000 . 1 . . . . . . . . 6385 2 510 . 1 1 71 71 GLN HE21 H 1 7.138 0.009 . 1 . . . . . . . . 6385 2 511 . 1 1 71 71 GLN HE22 H 1 7.563 0.000 . 1 . . . . . . . . 6385 2 512 . 1 1 72 72 PRO HA H 1 4.605 0.000 . 1 . . . . . . . . 6385 2 513 . 1 1 72 72 PRO HB2 H 1 1.997 0.000 . 1 . . . . . . . . 6385 2 514 . 1 1 72 72 PRO HG2 H 1 1.815 0.000 . 1 . . . . . . . . 6385 2 515 . 1 1 72 72 PRO HG3 H 1 2.118 0.000 . 1 . . . . . . . . 6385 2 516 . 1 1 73 73 ALA N N 15 124.800 0.000 . 1 . . . . . . . . 6385 2 517 . 1 1 73 73 ALA H H 1 8.097 0.007 . 1 . . . . . . . . 6385 2 518 . 1 1 73 73 ALA HA H 1 4.600 0.000 . 1 . . . . . . . . 6385 2 519 . 1 1 73 73 ALA HB1 H 1 1.157 0.000 . 1 . . . . . . . . 6385 2 520 . 1 1 73 73 ALA HB2 H 1 1.157 0.000 . 1 . . . . . . . . 6385 2 521 . 1 1 73 73 ALA HB3 H 1 1.157 0.000 . 1 . . . . . . . . 6385 2 522 . 1 1 74 74 GLY N N 15 107.420 0.000 . 1 . . . . . . . . 6385 2 523 . 1 1 74 74 GLY H H 1 8.269 0.000 . 1 . . . . . . . . 6385 2 524 . 1 1 74 74 GLY HA2 H 1 4.000 0.000 . 1 . . . . . . . . 6385 2 525 . 1 1 74 74 GLY HA3 H 1 3.888 0.000 . 1 . . . . . . . . 6385 2 526 . 1 1 75 75 ASP N N 15 117.110 0.000 . 1 . . . . . . . . 6385 2 527 . 1 1 75 75 ASP H H 1 8.218 0.001 . 1 . . . . . . . . 6385 2 528 . 1 1 75 75 ASP HA H 1 4.372 0.000 . 1 . . . . . . . . 6385 2 529 . 1 1 75 75 ASP HB2 H 1 2.681 0.000 . 1 . . . . . . . . 6385 2 530 . 1 1 75 75 ASP HB3 H 1 2.576 0.006 . 1 . . . . . . . . 6385 2 531 . 1 1 76 76 MET N N 15 120.744 0.000 . 1 . . . . . . . . 6385 2 532 . 1 1 76 76 MET H H 1 8.436 0.000 . 1 . . . . . . . . 6385 2 533 . 1 1 76 76 MET HA H 1 4.186 0.000 . 1 . . . . . . . . 6385 2 534 . 1 1 76 76 MET HB2 H 1 2.058 0.000 . 1 . . . . . . . . 6385 2 535 . 1 1 76 76 MET HB3 H 1 1.981 0.000 . 1 . . . . . . . . 6385 2 536 . 1 1 76 76 MET HG2 H 1 2.371 0.000 . 1 . . . . . . . . 6385 2 537 . 1 1 76 76 MET HG3 H 1 1.936 0.000 . 1 . . . . . . . . 6385 2 538 . 1 1 76 76 MET HE1 H 1 1.959 0.000 . 1 . . . . . . . . 6385 2 539 . 1 1 76 76 MET HE2 H 1 1.959 0.000 . 1 . . . . . . . . 6385 2 540 . 1 1 76 76 MET HE3 H 1 1.959 0.000 . 1 . . . . . . . . 6385 2 541 . 1 1 77 77 SER N N 15 115.789 0.000 . 1 . . . . . . . . 6385 2 542 . 1 1 77 77 SER H H 1 8.911 0.001 . 1 . . . . . . . . 6385 2 543 . 1 1 77 77 SER HA H 1 4.168 0.001 . 1 . . . . . . . . 6385 2 544 . 1 1 77 77 SER HB2 H 1 3.598 0.000 . 1 . . . . . . . . 6385 2 545 . 1 1 77 77 SER HB3 H 1 3.444 0.000 . 1 . . . . . . . . 6385 2 546 . 1 1 78 78 LYS N N 15 121.735 0.000 . 1 . . . . . . . . 6385 2 547 . 1 1 78 78 LYS H H 1 7.940 0.010 . 1 . . . . . . . . 6385 2 548 . 1 1 78 78 LYS HA H 1 4.064 0.000 . 1 . . . . . . . . 6385 2 549 . 1 1 78 78 LYS HB2 H 1 1.844 0.000 . 1 . . . . . . . . 6385 2 550 . 1 1 78 78 LYS HG2 H 1 1.355 0.000 . 1 . . . . . . . . 6385 2 551 . 1 1 78 78 LYS HG3 H 1 1.108 0.000 . 1 . . . . . . . . 6385 2 552 . 1 1 78 78 LYS HD2 H 1 1.570 0.000 . 1 . . . . . . . . 6385 2 553 . 1 1 79 79 SER N N 15 114.908 0.000 . 1 . . . . . . . . 6385 2 554 . 1 1 79 79 SER H H 1 8.186 0.001 . 1 . . . . . . . . 6385 2 555 . 1 1 79 79 SER HA H 1 4.332 0.000 . 1 . . . . . . . . 6385 2 556 . 1 1 79 79 SER HB2 H 1 3.979 0.000 . 1 . . . . . . . . 6385 2 557 . 1 1 80 80 ALA N N 15 123.277 0.000 . 1 . . . . . . . . 6385 2 558 . 1 1 80 80 ALA H H 1 7.495 0.010 . 1 . . . . . . . . 6385 2 559 . 1 1 80 80 ALA HA H 1 4.363 0.000 . 1 . . . . . . . . 6385 2 560 . 1 1 80 80 ALA HB1 H 1 1.497 0.000 . 1 . . . . . . . . 6385 2 561 . 1 1 80 80 ALA HB2 H 1 1.497 0.000 . 1 . . . . . . . . 6385 2 562 . 1 1 80 80 ALA HB3 H 1 1.497 0.000 . 1 . . . . . . . . 6385 2 563 . 1 1 81 81 VAL N N 15 116.340 0.000 . 1 . . . . . . . . 6385 2 564 . 1 1 81 81 VAL H H 1 7.455 0.010 . 1 . . . . . . . . 6385 2 565 . 1 1 81 81 VAL HA H 1 4.095 0.012 . 1 . . . . . . . . 6385 2 566 . 1 1 81 81 VAL HB H 1 2.298 0.005 . 1 . . . . . . . . 6385 2 567 . 1 1 81 81 VAL HG11 H 1 1.084 0.002 . 1 . . . . . . . . 6385 2 568 . 1 1 81 81 VAL HG12 H 1 1.084 0.002 . 1 . . . . . . . . 6385 2 569 . 1 1 81 81 VAL HG13 H 1 1.084 0.002 . 1 . . . . . . . . 6385 2 570 . 1 1 82 82 ASP N N 15 120.971 0.000 . 1 . . . . . . . . 6385 2 571 . 1 1 82 82 ASP H H 1 7.950 0.010 . 1 . . . . . . . . 6385 2 572 . 1 1 82 82 ASP HA H 1 4.767 0.000 . 1 . . . . . . . . 6385 2 573 . 1 1 82 82 ASP HB2 H 1 2.763 0.000 . 1 . . . . . . . . 6385 2 574 . 1 1 83 83 GLY N N 15 108.500 0.000 . 1 . . . . . . . . 6385 2 575 . 1 1 83 83 GLY H H 1 8.129 0.000 . 1 . . . . . . . . 6385 2 576 . 1 1 83 83 GLY HA2 H 1 4.093 0.000 . 1 . . . . . . . . 6385 2 577 . 1 1 84 84 THR N N 15 112.400 0.000 . 1 . . . . . . . . 6385 2 578 . 1 1 84 84 THR H H 1 8.194 0.010 . 1 . . . . . . . . 6385 2 579 . 1 1 84 84 THR HA H 1 4.381 0.000 . 1 . . . . . . . . 6385 2 580 . 1 1 84 84 THR HG21 H 1 1.233 0.000 . 1 . . . . . . . . 6385 2 581 . 1 1 84 84 THR HG22 H 1 1.233 0.000 . 1 . . . . . . . . 6385 2 582 . 1 1 84 84 THR HG23 H 1 1.233 0.000 . 1 . . . . . . . . 6385 2 583 . 1 1 85 85 ALA N N 15 125.603 0.000 . 1 . . . . . . . . 6385 2 584 . 1 1 85 85 ALA H H 1 8.311 0.000 . 1 . . . . . . . . 6385 2 585 . 1 1 85 85 ALA HA H 1 4.378 0.000 . 1 . . . . . . . . 6385 2 586 . 1 1 85 85 ALA HB1 H 1 1.437 0.000 . 1 . . . . . . . . 6385 2 587 . 1 1 85 85 ALA HB2 H 1 1.437 0.000 . 1 . . . . . . . . 6385 2 588 . 1 1 85 85 ALA HB3 H 1 1.437 0.000 . 1 . . . . . . . . 6385 2 589 . 1 1 86 86 GLU N N 15 120.080 0.000 . 1 . . . . . . . . 6385 2 590 . 1 1 86 86 GLU H H 1 8.488 0.010 . 1 . . . . . . . . 6385 2 591 . 1 1 86 86 GLU HA H 1 4.179 0.000 . 1 . . . . . . . . 6385 2 592 . 1 1 86 86 GLU HB2 H 1 2.016 0.000 . 1 . . . . . . . . 6385 2 593 . 1 1 86 86 GLU HG2 H 1 2.300 0.000 . 1 . . . . . . . . 6385 2 594 . 1 1 87 87 ASN N N 15 116.670 0.000 . 1 . . . . . . . . 6385 2 595 . 1 1 87 87 ASN H H 1 8.252 0.007 . 1 . . . . . . . . 6385 2 596 . 1 1 87 87 ASN HA H 1 5.174 0.000 . 1 . . . . . . . . 6385 2 597 . 1 1 87 87 ASN HB2 H 1 2.769 0.000 . 1 . . . . . . . . 6385 2 598 . 1 1 87 87 ASN ND2 N 15 113.239 0.000 . 1 . . . . . . . . 6385 2 599 . 1 1 87 87 ASN HD21 H 1 7.706 0.011 . 1 . . . . . . . . 6385 2 600 . 1 1 87 87 ASN HD22 H 1 6.845 0.011 . 1 . . . . . . . . 6385 2 601 . 1 1 88 88 PRO HA H 1 4.468 0.000 . 1 . . . . . . . . 6385 2 602 . 1 1 88 88 PRO HB2 H 1 2.278 0.000 . 1 . . . . . . . . 6385 2 603 . 1 1 88 88 PRO HB3 H 1 1.982 0.000 . 1 . . . . . . . . 6385 2 604 . 1 1 89 89 PHE N N 15 120.400 0.000 . 1 . . . . . . . . 6385 2 605 . 1 1 89 89 PHE H H 1 7.677 0.000 . 1 . . . . . . . . 6385 2 606 . 1 1 89 89 PHE HA H 1 3.945 0.000 . 1 . . . . . . . . 6385 2 607 . 1 1 89 89 PHE HB2 H 1 2.795 0.000 . 1 . . . . . . . . 6385 2 608 . 1 1 89 89 PHE HB3 H 1 2.508 0.000 . 1 . . . . . . . . 6385 2 609 . 1 1 89 89 PHE HD1 H 1 6.577 0.000 . 1 . . . . . . . . 6385 2 610 . 1 1 90 90 LEU N N 15 125.148 0.000 . 1 . . . . . . . . 6385 2 611 . 1 1 90 90 LEU H H 1 6.923 0.000 . 1 . . . . . . . . 6385 2 612 . 1 1 90 90 LEU HA H 1 4.457 0.000 . 1 . . . . . . . . 6385 2 613 . 1 1 90 90 LEU HB2 H 1 1.670 0.000 . 1 . . . . . . . . 6385 2 614 . 1 1 90 90 LEU HB3 H 1 0.957 0.002 . 1 . . . . . . . . 6385 2 615 . 1 1 90 90 LEU HG H 1 1.458 0.000 . 1 . . . . . . . . 6385 2 616 . 1 1 90 90 LEU HD11 H 1 0.744 0.000 . 1 . . . . . . . . 6385 2 617 . 1 1 90 90 LEU HD12 H 1 0.744 0.000 . 1 . . . . . . . . 6385 2 618 . 1 1 90 90 LEU HD13 H 1 0.744 0.000 . 1 . . . . . . . . 6385 2 619 . 1 1 91 91 ASP N N 15 122.499 0.000 . 1 . . . . . . . . 6385 2 620 . 1 1 91 91 ASP H H 1 8.509 0.008 . 1 . . . . . . . . 6385 2 621 . 1 1 91 91 ASP HA H 1 4.412 0.000 . 1 . . . . . . . . 6385 2 622 . 1 1 91 91 ASP HB2 H 1 3.014 0.000 . 1 . . . . . . . . 6385 2 623 . 1 1 91 91 ASP HB3 H 1 2.373 0.000 . 1 . . . . . . . . 6385 2 624 . 1 1 92 92 ASN N N 15 119.753 0.000 . 1 . . . . . . . . 6385 2 625 . 1 1 92 92 ASN H H 1 7.254 0.007 . 1 . . . . . . . . 6385 2 626 . 1 1 92 92 ASN HA H 1 5.161 0.000 . 1 . . . . . . . . 6385 2 627 . 1 1 92 92 ASN HB2 H 1 2.540 0.000 . 1 . . . . . . . . 6385 2 628 . 1 1 92 92 ASN ND2 N 15 113.613 0.000 . 1 . . . . . . . . 6385 2 629 . 1 1 92 92 ASN HD21 H 1 7.764 0.011 . 1 . . . . . . . . 6385 2 630 . 1 1 92 92 ASN HD22 H 1 7.014 0.011 . 1 . . . . . . . . 6385 2 631 . 1 1 93 93 PRO HB2 H 1 1.936 0.000 . 1 . . . . . . . . 6385 2 632 . 1 1 93 93 PRO HB3 H 1 2.072 0.000 . 1 . . . . . . . . 6385 2 633 . 1 1 93 93 PRO HD2 H 1 3.749 0.000 . 1 . . . . . . . . 6385 2 634 . 1 1 94 94 ASP N N 15 116.119 0.000 . 1 . . . . . . . . 6385 2 635 . 1 1 94 94 ASP H H 1 8.551 0.009 . 1 . . . . . . . . 6385 2 636 . 1 1 94 94 ASP HA H 1 4.724 0.000 . 1 . . . . . . . . 6385 2 637 . 1 1 94 94 ASP HB2 H 1 2.675 0.000 . 1 . . . . . . . . 6385 2 638 . 1 1 94 94 ASP HB3 H 1 2.421 0.000 . 1 . . . . . . . . 6385 2 639 . 1 1 95 95 ALA N N 15 122.946 0.000 . 1 . . . . . . . . 6385 2 640 . 1 1 95 95 ALA H H 1 7.142 0.010 . 1 . . . . . . . . 6385 2 641 . 1 1 95 95 ALA HA H 1 4.357 0.000 . 1 . . . . . . . . 6385 2 642 . 1 1 95 95 ALA HB1 H 1 1.352 0.000 . 1 . . . . . . . . 6385 2 643 . 1 1 95 95 ALA HB2 H 1 1.352 0.000 . 1 . . . . . . . . 6385 2 644 . 1 1 95 95 ALA HB3 H 1 1.352 0.000 . 1 . . . . . . . . 6385 2 645 . 1 1 96 96 PHE N N 15 120.964 0.000 . 1 . . . . . . . . 6385 2 646 . 1 1 96 96 PHE H H 1 7.912 0.001 . 1 . . . . . . . . 6385 2 647 . 1 1 96 96 PHE HA H 1 5.215 0.007 . 1 . . . . . . . . 6385 2 648 . 1 1 96 96 PHE HB2 H 1 2.881 0.000 . 1 . . . . . . . . 6385 2 649 . 1 1 96 96 PHE HB3 H 1 2.526 0.000 . 1 . . . . . . . . 6385 2 650 . 1 1 96 96 PHE HD1 H 1 6.520 0.000 . 1 . . . . . . . . 6385 2 651 . 1 1 97 97 TYR N N 15 119.982 0.000 . 1 . . . . . . . . 6385 2 652 . 1 1 97 97 TYR H H 1 9.258 0.009 . 1 . . . . . . . . 6385 2 653 . 1 1 97 97 TYR HA H 1 5.213 0.000 . 1 . . . . . . . . 6385 2 654 . 1 1 97 97 TYR HB2 H 1 2.881 0.000 . 1 . . . . . . . . 6385 2 655 . 1 1 97 97 TYR HB3 H 1 2.336 0.000 . 1 . . . . . . . . 6385 2 656 . 1 1 97 97 TYR HD1 H 1 6.637 0.009 . 1 . . . . . . . . 6385 2 657 . 1 1 97 97 TYR HE1 H 1 6.399 0.003 . 1 . . . . . . . . 6385 2 658 . 1 1 97 97 TYR HH H 1 9.743 0.000 . 1 . . . . . . . . 6385 2 659 . 1 1 98 98 TYR N N 15 113.000 0.000 . 1 . . . . . . . . 6385 2 660 . 1 1 98 98 TYR H H 1 8.694 0.007 . 1 . . . . . . . . 6385 2 661 . 1 1 98 98 TYR HA H 1 4.444 0.000 . 1 . . . . . . . . 6385 2 662 . 1 1 98 98 TYR HB2 H 1 3.225 0.000 . 1 . . . . . . . . 6385 2 663 . 1 1 98 98 TYR HB3 H 1 3.039 0.000 . 1 . . . . . . . . 6385 2 664 . 1 1 98 98 TYR HD1 H 1 6.920 0.000 . 1 . . . . . . . . 6385 2 665 . 1 1 98 98 TYR HE1 H 1 6.645 0.007 . 1 . . . . . . . . 6385 2 666 . 1 1 99 99 PHE N N 15 119.000 0.000 . 1 . . . . . . . . 6385 2 667 . 1 1 99 99 PHE H H 1 9.122 0.001 . 1 . . . . . . . . 6385 2 668 . 1 1 99 99 PHE HA H 1 5.699 0.000 . 1 . . . . . . . . 6385 2 669 . 1 1 99 99 PHE HB3 H 1 3.290 0.000 . 1 . . . . . . . . 6385 2 670 . 1 1 99 99 PHE HD1 H 1 7.895 0.000 . 1 . . . . . . . . 6385 2 671 . 1 1 99 99 PHE HZ H 1 6.613 0.000 . 1 . . . . . . . . 6385 2 672 . 1 1 100 100 PRO HA H 1 4.588 0.000 . 1 . . . . . . . . 6385 2 673 . 1 1 100 100 PRO HD2 H 1 3.643 0.000 . 1 . . . . . . . . 6385 2 674 . 1 1 100 100 PRO HD3 H 1 3.641 0.000 . 1 . . . . . . . . 6385 2 675 . 1 1 101 101 ASP N N 15 119.973 0.000 . 1 . . . . . . . . 6385 2 676 . 1 1 101 101 ASP H H 1 8.523 0.000 . 1 . . . . . . . . 6385 2 677 . 1 1 101 101 ASP HA H 1 4.778 0.000 . 1 . . . . . . . . 6385 2 678 . 1 1 101 101 ASP HB2 H 1 2.833 0.000 . 1 . . . . . . . . 6385 2 679 . 1 1 101 101 ASP HB3 H 1 2.770 0.000 . 1 . . . . . . . . 6385 2 680 . 1 1 102 102 SER N N 15 116.560 0.000 . 1 . . . . . . . . 6385 2 681 . 1 1 102 102 SER H H 1 8.332 0.008 . 1 . . . . . . . . 6385 2 682 . 1 1 102 102 SER HA H 1 4.579 0.000 . 1 . . . . . . . . 6385 2 683 . 1 1 102 102 SER HB2 H 1 4.014 0.000 . 1 . . . . . . . . 6385 2 684 . 1 1 103 103 GLY N N 15 116.890 0.000 . 1 . . . . . . . . 6385 2 685 . 1 1 103 103 GLY H H 1 8.213 0.000 . 1 . . . . . . . . 6385 2 686 . 1 1 103 103 GLY HA2 H 1 3.813 0.000 . 1 . . . . . . . . 6385 2 stop_ save_ ######################## # Coupling constants # ######################## save_JCOUPLING _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JCOUPLING _Coupling_constant_list.Entry_ID 6385 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6385 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 6 6 LEU H . . . . 1 1 6 6 LEU HA . . . 5.66 . . 1.00 . . . . . . . . . . . 6385 1 2 3JHNHA . 1 1 9 9 LEU H . . . . 1 1 9 9 LEU HA . . . 5.66 . . 1.00 . . . . . . . . . . . 6385 1 3 3JHNHA . 1 1 10 10 TYR H . . . . 1 1 10 10 TYR HA . . . 3.49 . . 1.00 . . . . . . . . . . . 6385 1 4 3JHNHA . 1 1 11 11 LEU H . . . . 1 1 11 11 LEU HA . . . 4.30 . . 1.00 . . . . . . . . . . . 6385 1 5 3JHNHA . 1 1 12 12 SER H . . . . 1 1 12 12 SER HA . . . 4.82 . . 1.00 . . . . . . . . . . . 6385 1 6 3JHNHA . 1 1 13 13 MET H . . . . 1 1 13 13 MET HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 7 3JHNHA . 1 1 14 14 LYS H . . . . 1 1 14 14 LYS HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 8 3JHNHA . 1 1 15 15 ASP H . . . . 1 1 15 15 ASP HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 9 3JHNHA . 1 1 16 16 THR H . . . . 1 1 16 16 THR HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 10 3JHNHA . 1 1 17 17 GLU H . . . . 1 1 17 17 GLU HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 11 3JHNHA . 1 1 18 18 LYS H . . . . 1 1 18 18 LYS HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 12 3JHNHA . 1 1 19 19 GLY H . . . . 1 1 19 19 GLY HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 13 3JHNHA . 1 1 20 20 ILE H . . . . 1 1 20 20 ILE HA . . . 4.76 . . 1.00 . . . . . . . . . . . 6385 1 14 3JHNHA . 1 1 21 21 LYS H . . . . 1 1 21 21 LYS HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 15 3JHNHA . 1 1 22 22 GLU H . . . . 1 1 22 22 GLU HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 16 3JHNHA . 1 1 23 23 LEU H . . . . 1 1 23 23 LEU HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 17 3JHNHA . 1 1 24 24 ASN H . . . . 1 1 24 24 ASN HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 18 3JHNHA . 1 1 25 25 LEU H . . . . 1 1 25 25 LEU HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 19 3JHNHA . 1 1 26 26 GLU H . . . . 1 1 26 26 GLU HA . . . 9.58 . . 1.00 . . . . . . . . . . . 6385 1 20 3JHNHA . 1 1 27 27 LYS H . . . . 1 1 27 27 LYS HA . . . 12.39 . . 1.00 . . . . . . . . . . . 6385 1 21 3JHNHA . 1 1 28 28 ASP H . . . . 1 1 28 28 ASP HA . . . 12.39 . . 1.00 . . . . . . . . . . . 6385 1 22 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 12.39 . . 1.00 . . . . . . . . . . . 6385 1 23 3JHNHA . 1 1 30 30 LYS H . . . . 1 1 30 30 LYS HA . . . 12.39 . . 1.00 . . . . . . . . . . . 6385 1 24 3JHNHA . 1 1 34 34 HIS H . . . . 1 1 34 34 HIS HA . . . 12.00 . . 1.00 . . . . . . . . . . . 6385 1 25 3JHNHA . 1 1 35 35 CYS H . . . . 1 1 35 35 CYS HA . . . 12.00 . . 1.00 . . . . . . . . . . . 6385 1 26 3JHNHA . 1 1 36 36 PHE H . . . . 1 1 36 36 PHE HA . . . 7.62 . . 1.00 . . . . . . . . . . . 6385 1 27 3JHNHA . 1 1 37 37 THR H . . . . 1 1 37 37 THR HA . . . 5.66 . . 1.00 . . . . . . . . . . . 6385 1 28 3JHNHA . 1 1 40 40 CYS H . . . . 1 1 40 40 CYS HA . . . 3.43 . . 1.00 . . . . . . . . . . . 6385 1 29 3JHNHA . 1 1 41 41 VAL H . . . . 1 1 41 41 VAL HA . . . 3.34 . . 1.00 . . . . . . . . . . . 6385 1 30 3JHNHA . 1 1 42 42 ILE H . . . . 1 1 42 42 ILE HA . . . 3.12 . . 1.00 . . . . . . . . . . . 6385 1 31 3JHNHA . 1 1 43 43 ASP H . . . . 1 1 43 43 ASP HA . . . 3.01 . . 1.00 . . . . . . . . . . . 6385 1 32 3JHNHA . 1 1 44 44 TRP H . . . . 1 1 44 44 TRP HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 33 3JHNHA . 1 1 47 47 SER H . . . . 1 1 47 47 SER HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 34 3JHNHA . 1 1 48 48 ASN H . . . . 1 1 48 48 ASN HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 35 3JHNHA . 1 1 49 49 GLN H . . . . 1 1 49 49 GLN HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 36 3JHNHA . 1 1 50 50 SER H . . . . 1 1 50 50 SER HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 37 3JHNHA . 1 1 53 53 ASN H . . . . 1 1 53 53 ASN HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 38 3JHNHA . 1 1 54 54 ARG H . . . . 1 1 54 54 ARG HA . . . 3.81 . . 1.00 . . . . . . . . . . . 6385 1 39 3JHNHA . 1 1 58 58 LEU H . . . . 1 1 58 58 LEU HA . . . 4.24 . . 1.00 . . . . . . . . . . . 6385 1 40 3JHNHA . 1 1 59 59 MET H . . . . 1 1 59 59 MET HA . . . 3.62 . . 1.00 . . . . . . . . . . . 6385 1 41 3JHNHA . 1 1 61 61 ALA H . . . . 1 1 61 61 ALA HA . . . 4.48 . . 1.00 . . . . . . . . . . . 6385 1 42 3JHNHA . 1 1 62 62 SER H . . . . 1 1 62 62 SER HA . . . 3.16 . . 1.00 . . . . . . . . . . . 6385 1 43 3JHNHA . 1 1 63 63 SER H . . . . 1 1 63 63 SER HA . . . 3.21 . . 1.00 . . . . . . . . . . . 6385 1 44 3JHNHA . 1 1 64 64 LEU H . . . . 1 1 64 64 LEU HA . . . 3.95 . . 1.00 . . . . . . . . . . . 6385 1 45 3JHNHA . 1 1 65 65 LEU H . . . . 1 1 65 65 LEU HA . . . 1.04 . . 1.00 . . . . . . . . . . . 6385 1 46 3JHNHA . 1 1 66 66 ASN H . . . . 1 1 66 66 ASN HA . . . 4.59 . . 1.00 . . . . . . . . . . . 6385 1 47 3JHNHA . 1 1 69 69 TYR H . . . . 1 1 69 69 TYR HA . . . 4.59 . . 1.00 . . . . . . . . . . . 6385 1 48 3JHNHA . 1 1 70 70 LEU H . . . . 1 1 70 70 LEU HA . . . 10.26 . . 1.00 . . . . . . . . . . . 6385 1 49 3JHNHA . 1 1 71 71 GLN H . . . . 1 1 71 71 GLN HA . . . 10.25 . . 1.00 . . . . . . . . . . . 6385 1 50 3JHNHA . 1 1 73 73 ALA H . . . . 1 1 73 73 ALA HA . . . 9.85 . . 1.00 . . . . . . . . . . . 6385 1 51 3JHNHA . 1 1 75 75 ASP H . . . . 1 1 75 75 ASP HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 52 3JHNHA . 1 1 76 76 MET H . . . . 1 1 76 76 MET HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 53 3JHNHA . 1 1 77 77 SER H . . . . 1 1 77 77 SER HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 54 3JHNHA . 1 1 78 78 LYS H . . . . 1 1 78 78 LYS HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 55 3JHNHA . 1 1 79 79 SER H . . . . 1 1 79 79 SER HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 56 3JHNHA . 1 1 80 80 ALA H . . . . 1 1 80 80 ALA HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 57 3JHNHA . 1 1 81 81 VAL H . . . . 1 1 81 81 VAL HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 58 3JHNHA . 1 1 82 82 ASP H . . . . 1 1 82 82 ASP HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 59 3JHNHA . 1 1 83 83 GLY H . . . . 1 1 83 83 GLY HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 60 3JHNHA . 1 1 84 84 THR H . . . . 1 1 84 84 THR HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 61 3JHNHA . 1 1 85 85 ALA H . . . . 1 1 85 85 ALA HA . . . 3.90 . . 1.00 . . . . . . . . . . . 6385 1 62 3JHNHA . 1 1 87 87 ASN H . . . . 1 1 87 87 ASN HA . . . 10.20 . . 1.00 . . . . . . . . . . . 6385 1 63 3JHNHA . 1 1 89 89 PHE H . . . . 1 1 89 89 PHE HA . . . 8.61 . . 1.00 . . . . . . . . . . . 6385 1 64 3JHNHA . 1 1 90 90 LEU H . . . . 1 1 90 90 LEU HA . . . 10.61 . . 1.00 . . . . . . . . . . . 6385 1 65 3JHNHA . 1 1 91 91 ASP H . . . . 1 1 91 91 ASP HA . . . 8.25 . . 1.00 . . . . . . . . . . . 6385 1 66 3JHNHA . 1 1 92 92 ASN H . . . . 1 1 92 92 ASN HA . . . 10.51 . . 1.00 . . . . . . . . . . . 6385 1 67 3JHNHA . 1 1 94 94 ASP H . . . . 1 1 94 94 ASP HA . . . 10.51 . . 1.00 . . . . . . . . . . . 6385 1 68 3JHNHA . 1 1 96 96 PHE H . . . . 1 1 96 96 PHE HA . . . 8.49 . . 1.00 . . . . . . . . . . . 6385 1 69 3JHNHA . 1 1 97 97 TYR H . . . . 1 1 97 97 TYR HA . . . 10.43 . . 1.00 . . . . . . . . . . . 6385 1 70 3JHNHA . 1 1 98 98 TYR H . . . . 1 1 98 98 TYR HA . . . 9.04 . . 1.00 . . . . . . . . . . . 6385 1 71 3JHNHA . 1 1 99 99 PHE H . . . . 1 1 99 99 PHE HA . . . 9.75 . . 1.00 . . . . . . . . . . . 6385 1 stop_ save_