data_5663 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5663 _Entry.Title ; Distinctive solution conformation of phosphatase inhibitor CPI-17 substituted with aspartate at the phosphorylation site threonine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-16 _Entry.Accession_date 2003-01-16 _Entry.Last_release_date 2004-03-15 _Entry.Original_release_date 2004-03-15 _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 Ohki Shin-ya . . . 5663 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5663 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 5663 '15N chemical shifts' 100 5663 '1H chemical shifts' 594 5663 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 . . 2004-03-15 2003-01-16 original author . 5663 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5662 'CPI-17 22-120 domain (natural sequence)' 5663 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5663 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12595264 _Citation.Full_citation . _Citation.Title ; Distinctive solution conformation of phosphatase inhibitor CPI-17 substituted with aspartate at the phosphorylation-site threonine residue. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 326 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1539 _Citation.Page_last 1547 _Citation.Year 2003 _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 S. Ohki . . . 5663 1 2 M. Eto . . . 5663 1 3 M. Shimizu . . . 5663 1 4 R. Takada . . . 5663 1 5 D. Brautigan . L. . 5663 1 6 M. Kainosho . . . 5663 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CPI-17 5663 1 inhibitor 5663 1 'protein phosphatase-1' 5663 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CPI-17_T38D _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CPI-17_T38D _Assembly.Entry_ID 5663 _Assembly.ID 1 _Assembly.Name 'CPI-17(22-120) mutant T38D' _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 'not reported' _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 5663 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 'CPI-17 22-120 T38D' 1 $CPI-17_(22-120)_T38D . . . native . . . . . 5663 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CPI-17(22-120) mutant T38D' system 5663 1 T38D abbreviation 5663 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CPI-17_(22-120)_T38D _Entity.Sf_category entity _Entity.Sf_framecode CPI-17_(22-120)_T38D _Entity.Entry_ID 5663 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CPI-17 mutant T38D' _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 ; GPGGSPGGLQKRHARVDVKY DRRELQRRLDVEKWIDGRLE ELYRGREADMPDEVNIDELL ELESEEERSRKIQGLLKSCT NPTENFVQELLVKLRGLHK ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 5175 . CPI-17 . . . . . 86.87 86 98.84 98.84 4.92e-51 . . . . 5663 1 2 no BMRB 5662 . CPI-17_(22-120) . . . . . 100.00 99 98.99 98.99 1.06e-61 . . . . 5663 1 3 no PDB 1J2M . "Solution Structure Of Cpi-17(22-120)" . . . . . 100.00 99 98.99 98.99 1.06e-61 . . . . 5663 1 4 no PDB 1J2N . "Solution Structure Of Cpi-17(22-120) T38d" . . . . . 100.00 99 100.00 100.00 1.53e-62 . . . . 5663 1 5 no PDB 1K5O . "Cpi-17(35-120) Deletion Mutant" . . . . . 86.87 86 98.84 98.84 4.92e-51 . . . . 5663 1 6 no PDB 2RLT . "Phosphorylated Cpi-17 (22-120)" . . . . . 100.00 99 98.99 98.99 1.31e-61 . . . . 5663 1 7 no DBJ BAA22995 . "17-kDa PKC-potentiated inhibitory protein of PP1 [Sus scrofa]" . . . . . 100.00 147 98.99 98.99 5.47e-62 . . . . 5663 1 8 no REF NP_001179999 . "protein phosphatase 1 regulatory subunit 14A [Bos taurus]" . . . . . 100.00 147 96.97 97.98 1.08e-60 . . . . 5663 1 9 no REF NP_999502 . "protein phosphatase 1 regulatory subunit 14A [Sus scrofa]" . . . . . 100.00 147 98.99 98.99 5.47e-62 . . . . 5663 1 10 no REF XP_004015712 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A [Ovis aries]" . . . . . 100.00 153 96.97 97.98 1.27e-60 . . . . 5663 1 11 no REF XP_004330765 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A-like, partial [Tursiops truncatus]" . . . . . 73.74 99 97.26 97.26 2.23e-40 . . . . 5663 1 12 no REF XP_006215130 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A [Vicugna pacos]" . . . . . 100.00 147 96.97 97.98 5.83e-60 . . . . 5663 1 13 no SP O18734 . "RecName: Full=Protein phosphatase 1 regulatory subunit 14A; AltName: Full=17 kDa PKC-potentiated inhibitory protein of PP1; Alt" . . . . . 100.00 147 98.99 98.99 5.47e-62 . . . . 5663 1 14 no TPG DAA19818 . "TPA: protein phosphatase 1, regulatory (inhibitor) subunit 14A-like [Bos taurus]" . . . . . 100.00 147 96.97 97.98 1.08e-60 . . . . 5663 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CPI-17 mutant T38D' common 5663 1 T38D abbreviation 5663 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 22 GLY . 5663 1 2 23 PRO . 5663 1 3 24 GLY . 5663 1 4 25 GLY . 5663 1 5 26 SER . 5663 1 6 27 PRO . 5663 1 7 28 GLY . 5663 1 8 29 GLY . 5663 1 9 30 LEU . 5663 1 10 31 GLN . 5663 1 11 32 LYS . 5663 1 12 33 ARG . 5663 1 13 34 HIS . 5663 1 14 35 ALA . 5663 1 15 36 ARG . 5663 1 16 37 VAL . 5663 1 17 38 ASP . 5663 1 18 39 VAL . 5663 1 19 40 LYS . 5663 1 20 41 TYR . 5663 1 21 42 ASP . 5663 1 22 43 ARG . 5663 1 23 44 ARG . 5663 1 24 45 GLU . 5663 1 25 46 LEU . 5663 1 26 47 GLN . 5663 1 27 48 ARG . 5663 1 28 49 ARG . 5663 1 29 50 LEU . 5663 1 30 51 ASP . 5663 1 31 52 VAL . 5663 1 32 53 GLU . 5663 1 33 54 LYS . 5663 1 34 55 TRP . 5663 1 35 56 ILE . 5663 1 36 57 ASP . 5663 1 37 58 GLY . 5663 1 38 59 ARG . 5663 1 39 60 LEU . 5663 1 40 61 GLU . 5663 1 41 62 GLU . 5663 1 42 63 LEU . 5663 1 43 64 TYR . 5663 1 44 65 ARG . 5663 1 45 66 GLY . 5663 1 46 67 ARG . 5663 1 47 68 GLU . 5663 1 48 69 ALA . 5663 1 49 70 ASP . 5663 1 50 71 MET . 5663 1 51 72 PRO . 5663 1 52 73 ASP . 5663 1 53 74 GLU . 5663 1 54 75 VAL . 5663 1 55 76 ASN . 5663 1 56 77 ILE . 5663 1 57 78 ASP . 5663 1 58 79 GLU . 5663 1 59 80 LEU . 5663 1 60 81 LEU . 5663 1 61 82 GLU . 5663 1 62 83 LEU . 5663 1 63 84 GLU . 5663 1 64 85 SER . 5663 1 65 86 GLU . 5663 1 66 87 GLU . 5663 1 67 88 GLU . 5663 1 68 89 ARG . 5663 1 69 90 SER . 5663 1 70 91 ARG . 5663 1 71 92 LYS . 5663 1 72 93 ILE . 5663 1 73 94 GLN . 5663 1 74 95 GLY . 5663 1 75 96 LEU . 5663 1 76 97 LEU . 5663 1 77 98 LYS . 5663 1 78 99 SER . 5663 1 79 100 CYS . 5663 1 80 101 THR . 5663 1 81 102 ASN . 5663 1 82 103 PRO . 5663 1 83 104 THR . 5663 1 84 105 GLU . 5663 1 85 106 ASN . 5663 1 86 107 PHE . 5663 1 87 108 VAL . 5663 1 88 109 GLN . 5663 1 89 110 GLU . 5663 1 90 111 LEU . 5663 1 91 112 LEU . 5663 1 92 113 VAL . 5663 1 93 114 LYS . 5663 1 94 115 LEU . 5663 1 95 116 ARG . 5663 1 96 117 GLY . 5663 1 97 118 LEU . 5663 1 98 119 HIS . 5663 1 99 120 LYS . 5663 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5663 1 . PRO 2 2 5663 1 . GLY 3 3 5663 1 . GLY 4 4 5663 1 . SER 5 5 5663 1 . PRO 6 6 5663 1 . GLY 7 7 5663 1 . GLY 8 8 5663 1 . LEU 9 9 5663 1 . GLN 10 10 5663 1 . LYS 11 11 5663 1 . ARG 12 12 5663 1 . HIS 13 13 5663 1 . ALA 14 14 5663 1 . ARG 15 15 5663 1 . VAL 16 16 5663 1 . ASP 17 17 5663 1 . VAL 18 18 5663 1 . LYS 19 19 5663 1 . TYR 20 20 5663 1 . ASP 21 21 5663 1 . ARG 22 22 5663 1 . ARG 23 23 5663 1 . GLU 24 24 5663 1 . LEU 25 25 5663 1 . GLN 26 26 5663 1 . ARG 27 27 5663 1 . ARG 28 28 5663 1 . LEU 29 29 5663 1 . ASP 30 30 5663 1 . VAL 31 31 5663 1 . GLU 32 32 5663 1 . LYS 33 33 5663 1 . TRP 34 34 5663 1 . ILE 35 35 5663 1 . ASP 36 36 5663 1 . GLY 37 37 5663 1 . ARG 38 38 5663 1 . LEU 39 39 5663 1 . GLU 40 40 5663 1 . GLU 41 41 5663 1 . LEU 42 42 5663 1 . TYR 43 43 5663 1 . ARG 44 44 5663 1 . GLY 45 45 5663 1 . ARG 46 46 5663 1 . GLU 47 47 5663 1 . ALA 48 48 5663 1 . ASP 49 49 5663 1 . MET 50 50 5663 1 . PRO 51 51 5663 1 . ASP 52 52 5663 1 . GLU 53 53 5663 1 . VAL 54 54 5663 1 . ASN 55 55 5663 1 . ILE 56 56 5663 1 . ASP 57 57 5663 1 . GLU 58 58 5663 1 . LEU 59 59 5663 1 . LEU 60 60 5663 1 . GLU 61 61 5663 1 . LEU 62 62 5663 1 . GLU 63 63 5663 1 . SER 64 64 5663 1 . GLU 65 65 5663 1 . GLU 66 66 5663 1 . GLU 67 67 5663 1 . ARG 68 68 5663 1 . SER 69 69 5663 1 . ARG 70 70 5663 1 . LYS 71 71 5663 1 . ILE 72 72 5663 1 . GLN 73 73 5663 1 . GLY 74 74 5663 1 . LEU 75 75 5663 1 . LEU 76 76 5663 1 . LYS 77 77 5663 1 . SER 78 78 5663 1 . CYS 79 79 5663 1 . THR 80 80 5663 1 . ASN 81 81 5663 1 . PRO 82 82 5663 1 . THR 83 83 5663 1 . GLU 84 84 5663 1 . ASN 85 85 5663 1 . PHE 86 86 5663 1 . VAL 87 87 5663 1 . GLN 88 88 5663 1 . GLU 89 89 5663 1 . LEU 90 90 5663 1 . LEU 91 91 5663 1 . VAL 92 92 5663 1 . LYS 93 93 5663 1 . LEU 94 94 5663 1 . ARG 95 95 5663 1 . GLY 96 96 5663 1 . LEU 97 97 5663 1 . HIS 98 98 5663 1 . LYS 99 99 5663 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 5663 _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 $CPI-17_(22-120)_T38D . 9913 organism . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 5663 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 5663 _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 $CPI-17_(22-120)_T38D . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5663 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5663 _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 'CPI-17 mutant T38D' '[U-13C; U-15N]' . . 1 $CPI-17_(22-120)_T38D . . 1.0 . . mM . . . . 5663 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 5663 _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 6.8 0.2 n/a 5663 1 temperature 298 0.1 K 5663 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5663 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5663 _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 unknown unknown . 0 'spectrometer information not available' . . 5663 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 5663 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5663 1 stop_ 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 5663 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5663 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5663 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5663 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 5663 _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 . 5663 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 GLY HA2 H 1 4.15 . . . . . . . . . . . 5663 1 2 . 1 1 1 1 GLY HA3 H 1 4.05 . . . . . . . . . . . 5663 1 3 . 1 1 1 1 GLY H H 1 8.22 . . . . . . . . . . . 5663 1 4 . 1 1 1 1 GLY N N 15 110.23 . . . . . . . . . . . 5663 1 5 . 1 1 1 1 GLY C C 13 176.49 . . . . . . . . . . . 5663 1 6 . 1 1 1 1 GLY CA C 13 44.55 . . . . . . . . . . . 5663 1 7 . 1 1 2 2 PRO HA H 1 4.45 . . . . . . . . . . . 5663 1 8 . 1 1 2 2 PRO HB2 H 1 2.28 . . . . . . . . . . . 5663 1 9 . 1 1 2 2 PRO HB3 H 1 1.97 . . . . . . . . . . . 5663 1 10 . 1 1 2 2 PRO CA C 13 63.84 . . . . . . . . . . . 5663 1 11 . 1 1 2 2 PRO CB C 13 31.71 . . . . . . . . . . . 5663 1 12 . 1 1 2 2 PRO HG2 H 1 2.01 . . . . . . . . . . . 5663 1 13 . 1 1 2 2 PRO HD2 H 1 3.73 . . . . . . . . . . . 5663 1 14 . 1 1 2 2 PRO HD3 H 1 3.83 . . . . . . . . . . . 5663 1 15 . 1 1 3 3 GLY HA2 H 1 4.06 . . . . . . . . . . . 5663 1 16 . 1 1 3 3 GLY HA3 H 1 4.16 . . . . . . . . . . . 5663 1 17 . 1 1 3 3 GLY H H 1 8.49 . . . . . . . . . . . 5663 1 18 . 1 1 3 3 GLY N N 15 109.38 . . . . . . . . . . . 5663 1 19 . 1 1 3 3 GLY C C 13 177.74 . . . . . . . . . . . 5663 1 20 . 1 1 3 3 GLY CA C 13 45.33 . . . . . . . . . . . 5663 1 21 . 1 1 4 4 GLY HA2 H 1 3.84 . . . . . . . . . . . 5663 1 22 . 1 1 4 4 GLY H H 1 8.23 . . . . . . . . . . . 5663 1 23 . 1 1 4 4 GLY N N 15 108.61 . . . . . . . . . . . 5663 1 24 . 1 1 4 4 GLY C C 13 174.8 . . . . . . . . . . . 5663 1 25 . 1 1 4 4 GLY CA C 13 44.92 . . . . . . . . . . . 5663 1 26 . 1 1 5 5 SER HA H 1 4.77 . . . . . . . . . . . 5663 1 27 . 1 1 5 5 SER HB2 H 1 3.83 . . . . . . . . . . . 5663 1 28 . 1 1 5 5 SER HB3 H 1 3.9 . . . . . . . . . . . 5663 1 29 . 1 1 5 5 SER H H 1 8.26 . . . . . . . . . . . 5663 1 30 . 1 1 5 5 SER N N 15 116.96 . . . . . . . . . . . 5663 1 31 . 1 1 5 5 SER C C 13 176.48 . . . . . . . . . . . 5663 1 32 . 1 1 5 5 SER CA C 13 59.34 . . . . . . . . . . . 5663 1 33 . 1 1 5 5 SER CB C 13 41.42 . . . . . . . . . . . 5663 1 34 . 1 1 6 6 PRO HA H 1 4.78 . . . . . . . . . . . 5663 1 35 . 1 1 6 6 PRO HB2 H 1 3.83 . . . . . . . . . . . 5663 1 36 . 1 1 6 6 PRO CA C 13 63.56 . . . . . . . . . . . 5663 1 37 . 1 1 6 6 PRO CB C 13 31.83 . . . . . . . . . . . 5663 1 38 . 1 1 6 6 PRO HG2 H 1 1.97 . . . . . . . . . . . 5663 1 39 . 1 1 6 6 PRO HG3 H 1 2.18 . . . . . . . . . . . 5663 1 40 . 1 1 6 6 PRO HD2 H 1 2.33 . . . . . . . . . . . 5663 1 41 . 1 1 7 7 GLY HA2 H 1 3.93 . . . . . . . . . . . 5663 1 42 . 1 1 7 7 GLY HA3 H 1 3.96 . . . . . . . . . . . 5663 1 43 . 1 1 7 7 GLY H H 1 8.61 . . . . . . . . . . . 5663 1 44 . 1 1 7 7 GLY N N 15 109.73 . . . . . . . . . . . 5663 1 45 . 1 1 7 7 GLY C C 13 177.97 . . . . . . . . . . . 5663 1 46 . 1 1 7 7 GLY CA C 13 45.32 . . . . . . . . . . . 5663 1 47 . 1 1 8 8 GLY HA2 H 1 4.04 . . . . . . . . . . . 5663 1 48 . 1 1 8 8 GLY HA3 H 1 3.96 . . . . . . . . . . . 5663 1 49 . 1 1 8 8 GLY H H 1 8.23 . . . . . . . . . . . 5663 1 50 . 1 1 8 8 GLY N N 15 108.61 . . . . . . . . . . . 5663 1 51 . 1 1 8 8 GLY C C 13 174.8 . . . . . . . . . . . 5663 1 52 . 1 1 8 8 GLY CA C 13 44.57 . . . . . . . . . . . 5663 1 53 . 1 1 9 9 LEU HA H 1 4.3 . . . . . . . . . . . 5663 1 54 . 1 1 9 9 LEU HB2 H 1 1.6 . . . . . . . . . . . 5663 1 55 . 1 1 9 9 LEU H H 1 8.18 . . . . . . . . . . . 5663 1 56 . 1 1 9 9 LEU N N 15 121.69 . . . . . . . . . . . 5663 1 57 . 1 1 9 9 LEU C C 13 174.89 . . . . . . . . . . . 5663 1 58 . 1 1 9 9 LEU CA C 13 56.37 . . . . . . . . . . . 5663 1 59 . 1 1 9 9 LEU CB C 13 45.1 . . . . . . . . . . . 5663 1 60 . 1 1 9 9 LEU HG H 1 1.35 . . . . . . . . . . . 5663 1 61 . 1 1 9 9 LEU HD11 H 1 0.9 . . . . . . . . . . . 5663 1 62 . 1 1 9 9 LEU HD12 H 1 0.9 . . . . . . . . . . . 5663 1 63 . 1 1 9 9 LEU HD13 H 1 0.9 . . . . . . . . . . . 5663 1 64 . 1 1 9 9 LEU HD21 H 1 0.85 . . . . . . . . . . . 5663 1 65 . 1 1 9 9 LEU HD22 H 1 0.85 . . . . . . . . . . . 5663 1 66 . 1 1 9 9 LEU HD23 H 1 0.85 . . . . . . . . . . . 5663 1 67 . 1 1 10 10 GLN HA H 1 4.29 . . . . . . . . . . . 5663 1 68 . 1 1 10 10 GLN HB2 H 1 2.35 . . . . . . . . . . . 5663 1 69 . 1 1 10 10 GLN CA C 13 55.26 . . . . . . . . . . . 5663 1 70 . 1 1 10 10 GLN CB C 13 42.05 . . . . . . . . . . . 5663 1 71 . 1 1 10 10 GLN NE2 N 15 112.71 . . . . . . . . . . . 5663 1 72 . 1 1 10 10 GLN HG2 H 1 1.97 . . . . . . . . . . . 5663 1 73 . 1 1 10 10 GLN HG3 H 1 2.63 . . . . . . . . . . . 5663 1 74 . 1 1 11 11 LYS HA H 1 3.72 . . . . . . . . . . . 5663 1 75 . 1 1 11 11 LYS HB2 H 1 1.7 . . . . . . . . . . . 5663 1 76 . 1 1 11 11 LYS H H 1 8.35 . . . . . . . . . . . 5663 1 77 . 1 1 11 11 LYS N N 15 122.04 . . . . . . . . . . . 5663 1 78 . 1 1 11 11 LYS C C 13 176.59 . . . . . . . . . . . 5663 1 79 . 1 1 11 11 LYS CA C 13 56.3 . . . . . . . . . . . 5663 1 80 . 1 1 11 11 LYS CB C 13 28.89 . . . . . . . . . . . 5663 1 81 . 1 1 11 11 LYS HG2 H 1 0.95 . . . . . . . . . . . 5663 1 82 . 1 1 11 11 LYS HD2 H 1 1.5 . . . . . . . . . . . 5663 1 83 . 1 1 12 12 ARG HA H 1 3.73 . . . . . . . . . . . 5663 1 84 . 1 1 12 12 ARG HB2 H 1 1.7 . . . . . . . . . . . 5663 1 85 . 1 1 12 12 ARG HB3 H 1 1.9 . . . . . . . . . . . 5663 1 86 . 1 1 12 12 ARG H H 1 8.22 . . . . . . . . . . . 5663 1 87 . 1 1 12 12 ARG N N 15 120.85 . . . . . . . . . . . 5663 1 88 . 1 1 12 12 ARG C C 13 176.47 . . . . . . . . . . . 5663 1 89 . 1 1 12 12 ARG CA C 13 55.42 . . . . . . . . . . . 5663 1 90 . 1 1 12 12 ARG CB C 13 41.0 . . . . . . . . . . . 5663 1 91 . 1 1 12 12 ARG HG2 H 1 1.47 . . . . . . . . . . . 5663 1 92 . 1 1 12 12 ARG HG3 H 1 1.43 . . . . . . . . . . . 5663 1 93 . 1 1 12 12 ARG HD2 H 1 3.23 . . . . . . . . . . . 5663 1 94 . 1 1 12 12 ARG HD3 H 1 3.0 . . . . . . . . . . . 5663 1 95 . 1 1 13 13 HIS HA H 1 4.59 . . . . . . . . . . . 5663 1 96 . 1 1 13 13 HIS HB2 H 1 3.16 . . . . . . . . . . . 5663 1 97 . 1 1 13 13 HIS HB3 H 1 3.03 . . . . . . . . . . . 5663 1 98 . 1 1 13 13 HIS H H 1 8.31 . . . . . . . . . . . 5663 1 99 . 1 1 13 13 HIS N N 15 122.77 . . . . . . . . . . . 5663 1 100 . 1 1 13 13 HIS C C 13 176.08 . . . . . . . . . . . 5663 1 101 . 1 1 13 13 HIS CA C 13 56.3 . . . . . . . . . . . 5663 1 102 . 1 1 13 13 HIS CB C 13 31.23 . . . . . . . . . . . 5663 1 103 . 1 1 13 13 HIS HE1 H 1 7.44 . . . . . . . . . . . 5663 1 104 . 1 1 13 13 HIS HD2 H 1 7.67 . . . . . . . . . . . 5663 1 105 . 1 1 14 14 ALA HA H 1 4.31 . . . . . . . . . . . 5663 1 106 . 1 1 14 14 ALA HB1 H 1 1.35 . . . . . . . . . . . 5663 1 107 . 1 1 14 14 ALA HB2 H 1 1.35 . . . . . . . . . . . 5663 1 108 . 1 1 14 14 ALA HB3 H 1 1.35 . . . . . . . . . . . 5663 1 109 . 1 1 14 14 ALA H H 1 8.31 . . . . . . . . . . . 5663 1 110 . 1 1 14 14 ALA N N 15 125.31 . . . . . . . . . . . 5663 1 111 . 1 1 14 14 ALA C C 13 174.88 . . . . . . . . . . . 5663 1 112 . 1 1 14 14 ALA CA C 13 52.42 . . . . . . . . . . . 5663 1 113 . 1 1 14 14 ALA CB C 13 15.07 . . . . . . . . . . . 5663 1 114 . 1 1 15 15 ARG HA H 1 4.33 . . . . . . . . . . . 5663 1 115 . 1 1 15 15 ARG HB2 H 1 1.85 . . . . . . . . . . . 5663 1 116 . 1 1 15 15 ARG H H 1 8.43 . . . . . . . . . . . 5663 1 117 . 1 1 15 15 ARG N N 15 121.15 . . . . . . . . . . . 5663 1 118 . 1 1 15 15 ARG C C 13 177.62 . . . . . . . . . . . 5663 1 119 . 1 1 15 15 ARG CA C 13 58.51 . . . . . . . . . . . 5663 1 120 . 1 1 15 15 ARG CB C 13 29.08 . . . . . . . . . . . 5663 1 121 . 1 1 15 15 ARG HG2 H 1 1.65 . . . . . . . . . . . 5663 1 122 . 1 1 15 15 ARG HD2 H 1 3.18 . . . . . . . . . . . 5663 1 123 . 1 1 16 16 VAL HA H 1 4.14 . . . . . . . . . . . 5663 1 124 . 1 1 16 16 VAL HB H 1 2.09 . . . . . . . . . . . 5663 1 125 . 1 1 16 16 VAL CA C 13 62.41 . . . . . . . . . . . 5663 1 126 . 1 1 16 16 VAL CB C 13 30.88 . . . . . . . . . . . 5663 1 127 . 1 1 16 16 VAL HG11 H 1 0.92 . . . . . . . . . . . 5663 1 128 . 1 1 16 16 VAL HG12 H 1 0.92 . . . . . . . . . . . 5663 1 129 . 1 1 16 16 VAL HG13 H 1 0.92 . . . . . . . . . . . 5663 1 130 . 1 1 17 17 ASP HA H 1 4.61 . . . . . . . . . . . 5663 1 131 . 1 1 17 17 ASP HB2 H 1 2.69 . . . . . . . . . . . 5663 1 132 . 1 1 17 17 ASP HB3 H 1 2.59 . . . . . . . . . . . 5663 1 133 . 1 1 17 17 ASP H H 1 8.45 . . . . . . . . . . . 5663 1 134 . 1 1 17 17 ASP N N 15 123.88 . . . . . . . . . . . 5663 1 135 . 1 1 17 17 ASP C C 13 175.69 . . . . . . . . . . . 5663 1 136 . 1 1 17 17 ASP CA C 13 54.27 . . . . . . . . . . . 5663 1 137 . 1 1 17 17 ASP CB C 13 40.49 . . . . . . . . . . . 5663 1 138 . 1 1 18 18 VAL HA H 1 4.04 . . . . . . . . . . . 5663 1 139 . 1 1 18 18 VAL HB H 1 1.96 . . . . . . . . . . . 5663 1 140 . 1 1 18 18 VAL H H 1 7.9 . . . . . . . . . . . 5663 1 141 . 1 1 18 18 VAL N N 15 120.02 . . . . . . . . . . . 5663 1 142 . 1 1 18 18 VAL C C 13 177.05 . . . . . . . . . . . 5663 1 143 . 1 1 18 18 VAL CA C 13 62.4 . . . . . . . . . . . 5663 1 144 . 1 1 18 18 VAL CB C 13 31.1 . . . . . . . . . . . 5663 1 145 . 1 1 18 18 VAL HG11 H 1 0.78 . . . . . . . . . . . 5663 1 146 . 1 1 18 18 VAL HG12 H 1 0.78 . . . . . . . . . . . 5663 1 147 . 1 1 18 18 VAL HG13 H 1 0.78 . . . . . . . . . . . 5663 1 148 . 1 1 18 18 VAL HG21 H 1 0.84 . . . . . . . . . . . 5663 1 149 . 1 1 18 18 VAL HG22 H 1 0.84 . . . . . . . . . . . 5663 1 150 . 1 1 18 18 VAL HG23 H 1 0.84 . . . . . . . . . . . 5663 1 151 . 1 1 19 19 LYS HA H 1 4.25 . . . . . . . . . . . 5663 1 152 . 1 1 19 19 LYS HB2 H 1 1.6 . . . . . . . . . . . 5663 1 153 . 1 1 19 19 LYS H H 1 8.27 . . . . . . . . . . . 5663 1 154 . 1 1 19 19 LYS N N 15 123.58 . . . . . . . . . . . 5663 1 155 . 1 1 19 19 LYS C C 13 175.96 . . . . . . . . . . . 5663 1 156 . 1 1 19 19 LYS CA C 13 56.37 . . . . . . . . . . . 5663 1 157 . 1 1 19 19 LYS CB C 13 32.59 . . . . . . . . . . . 5663 1 158 . 1 1 19 19 LYS HE2 H 1 2.9 . . . . . . . . . . . 5663 1 159 . 1 1 19 19 LYS HG2 H 1 1.26 . . . . . . . . . . . 5663 1 160 . 1 1 19 19 LYS HG3 H 1 1.19 . . . . . . . . . . . 5663 1 161 . 1 1 19 19 LYS HD2 H 1 0.9 . . . . . . . . . . . 5663 1 162 . 1 1 19 19 LYS HE3 H 1 2.93 . . . . . . . . . . . 5663 1 163 . 1 1 20 20 TYR HA H 1 4.66 . . . . . . . . . . . 5663 1 164 . 1 1 20 20 TYR HB2 H 1 3.08 . . . . . . . . . . . 5663 1 165 . 1 1 20 20 TYR H H 1 7.86 . . . . . . . . . . . 5663 1 166 . 1 1 20 20 TYR N N 15 120.32 . . . . . . . . . . . 5663 1 167 . 1 1 20 20 TYR C C 13 177.05 . . . . . . . . . . . 5663 1 168 . 1 1 20 20 TYR CA C 13 57.29 . . . . . . . . . . . 5663 1 169 . 1 1 20 20 TYR CB C 13 38.78 . . . . . . . . . . . 5663 1 170 . 1 1 20 20 TYR HE1 H 1 6.77 . . . . . . . . . . . 5663 1 171 . 1 1 20 20 TYR HD1 H 1 7.08 . . . . . . . . . . . 5663 1 172 . 1 1 21 21 ASP HA H 1 4.62 . . . . . . . . . . . 5663 1 173 . 1 1 21 21 ASP HB2 H 1 2.79 . . . . . . . . . . . 5663 1 174 . 1 1 21 21 ASP HB3 H 1 2.86 . . . . . . . . . . . 5663 1 175 . 1 1 21 21 ASP H H 1 8.44 . . . . . . . . . . . 5663 1 176 . 1 1 21 21 ASP N N 15 121.86 . . . . . . . . . . . 5663 1 177 . 1 1 21 21 ASP C C 13 175.52 . . . . . . . . . . . 5663 1 178 . 1 1 21 21 ASP CA C 13 53.69 . . . . . . . . . . . 5663 1 179 . 1 1 21 21 ASP CB C 13 40.83 . . . . . . . . . . . 5663 1 180 . 1 1 22 22 ARG HA H 1 4.11 . . . . . . . . . . . 5663 1 181 . 1 1 22 22 ARG HB2 H 1 1.9 . . . . . . . . . . . 5663 1 182 . 1 1 22 22 ARG H H 1 8.56 . . . . . . . . . . . 5663 1 183 . 1 1 22 22 ARG N N 15 121.77 . . . . . . . . . . . 5663 1 184 . 1 1 22 22 ARG C C 13 176.51 . . . . . . . . . . . 5663 1 185 . 1 1 22 22 ARG CA C 13 60.88 . . . . . . . . . . . 5663 1 186 . 1 1 22 22 ARG CB C 13 27.82 . . . . . . . . . . . 5663 1 187 . 1 1 22 22 ARG HG2 H 1 1.71 . . . . . . . . . . . 5663 1 188 . 1 1 22 22 ARG HG3 H 1 1.63 . . . . . . . . . . . 5663 1 189 . 1 1 22 22 ARG HD2 H 1 3.23 . . . . . . . . . . . 5663 1 190 . 1 1 22 22 ARG HD3 H 1 3.18 . . . . . . . . . . . 5663 1 191 . 1 1 23 23 ARG HA H 1 4.15 . . . . . . . . . . . 5663 1 192 . 1 1 23 23 ARG HB2 H 1 2.0 . . . . . . . . . . . 5663 1 193 . 1 1 23 23 ARG H H 1 8.34 . . . . . . . . . . . 5663 1 194 . 1 1 23 23 ARG N N 15 120.1 . . . . . . . . . . . 5663 1 195 . 1 1 23 23 ARG C C 13 178.08 . . . . . . . . . . . 5663 1 196 . 1 1 23 23 ARG CA C 13 58.88 . . . . . . . . . . . 5663 1 197 . 1 1 23 23 ARG CB C 13 31.3 . . . . . . . . . . . 5663 1 198 . 1 1 23 23 ARG HG2 H 1 3.03 . . . . . . . . . . . 5663 1 199 . 1 1 23 23 ARG HD2 H 1 3.26 . . . . . . . . . . . 5663 1 200 . 1 1 23 23 ARG HD3 H 1 3.17 . . . . . . . . . . . 5663 1 201 . 1 1 24 24 GLU HA H 1 4.08 . . . . . . . . . . . 5663 1 202 . 1 1 24 24 GLU HB2 H 1 1.72 . . . . . . . . . . . 5663 1 203 . 1 1 24 24 GLU H H 1 8.22 . . . . . . . . . . . 5663 1 204 . 1 1 24 24 GLU N N 15 121.31 . . . . . . . . . . . 5663 1 205 . 1 1 24 24 GLU C C 13 175.97 . . . . . . . . . . . 5663 1 206 . 1 1 24 24 GLU CA C 13 57.29 . . . . . . . . . . . 5663 1 207 . 1 1 24 24 GLU CB C 13 31.19 . . . . . . . . . . . 5663 1 208 . 1 1 25 25 LEU HA H 1 4.05 . . . . . . . . . . . 5663 1 209 . 1 1 25 25 LEU HB2 H 1 1.88 . . . . . . . . . . . 5663 1 210 . 1 1 25 25 LEU HB3 H 1 1.71 . . . . . . . . . . . 5663 1 211 . 1 1 25 25 LEU H H 1 8.26 . . . . . . . . . . . 5663 1 212 . 1 1 25 25 LEU N N 15 120.45 . . . . . . . . . . . 5663 1 213 . 1 1 25 25 LEU C C 13 178.81 . . . . . . . . . . . 5663 1 214 . 1 1 25 25 LEU CA C 13 57.97 . . . . . . . . . . . 5663 1 215 . 1 1 25 25 LEU CB C 13 40.88 . . . . . . . . . . . 5663 1 216 . 1 1 25 25 LEU HG H 1 1.65 . . . . . . . . . . . 5663 1 217 . 1 1 25 25 LEU HD11 H 1 0.91 . . . . . . . . . . . 5663 1 218 . 1 1 25 25 LEU HD12 H 1 0.91 . . . . . . . . . . . 5663 1 219 . 1 1 25 25 LEU HD13 H 1 0.91 . . . . . . . . . . . 5663 1 220 . 1 1 26 26 GLN HA H 1 3.93 . . . . . . . . . . . 5663 1 221 . 1 1 26 26 GLN HB2 H 1 2.18 . . . . . . . . . . . 5663 1 222 . 1 1 26 26 GLN H H 1 8.0 . . . . . . . . . . . 5663 1 223 . 1 1 26 26 GLN N N 15 118.41 . . . . . . . . . . . 5663 1 224 . 1 1 26 26 GLN C C 13 178.87 . . . . . . . . . . . 5663 1 225 . 1 1 26 26 GLN CA C 13 57.96 . . . . . . . . . . . 5663 1 226 . 1 1 26 26 GLN CB C 13 26.2 . . . . . . . . . . . 5663 1 227 . 1 1 26 26 GLN NE2 N 15 115.21 . . . . . . . . . . . 5663 1 228 . 1 1 26 26 GLN HG2 H 1 2.41 . . . . . . . . . . . 5663 1 229 . 1 1 27 27 ARG HA H 1 4.15 . . . . . . . . . . . 5663 1 230 . 1 1 27 27 ARG HB2 H 1 2.02 . . . . . . . . . . . 5663 1 231 . 1 1 27 27 ARG HB3 H 1 1.78 . . . . . . . . . . . 5663 1 232 . 1 1 27 27 ARG H H 1 7.91 . . . . . . . . . . . 5663 1 233 . 1 1 27 27 ARG N N 15 118.52 . . . . . . . . . . . 5663 1 234 . 1 1 27 27 ARG C C 13 177.77 . . . . . . . . . . . 5663 1 235 . 1 1 27 27 ARG CA C 13 64.13 . . . . . . . . . . . 5663 1 236 . 1 1 27 27 ARG CB C 13 31.1 . . . . . . . . . . . 5663 1 237 . 1 1 27 27 ARG HG2 H 1 1.6 . . . . . . . . . . . 5663 1 238 . 1 1 27 27 ARG HG3 H 1 1.56 . . . . . . . . . . . 5663 1 239 . 1 1 27 27 ARG HD2 H 1 3.03 . . . . . . . . . . . 5663 1 240 . 1 1 28 28 ARG HA H 1 3.88 . . . . . . . . . . . 5663 1 241 . 1 1 28 28 ARG HB2 H 1 2.42 . . . . . . . . . . . 5663 1 242 . 1 1 28 28 ARG HB3 H 1 2.59 . . . . . . . . . . . 5663 1 243 . 1 1 28 28 ARG H H 1 8.03 . . . . . . . . . . . 5663 1 244 . 1 1 28 28 ARG N N 15 119.47 . . . . . . . . . . . 5663 1 245 . 1 1 28 28 ARG C C 13 180.04 . . . . . . . . . . . 5663 1 246 . 1 1 28 28 ARG CA C 13 59.11 . . . . . . . . . . . 5663 1 247 . 1 1 28 28 ARG CB C 13 29.29 . . . . . . . . . . . 5663 1 248 . 1 1 28 28 ARG HD3 H 1 3.07 . . . . . . . . . . . 5663 1 249 . 1 1 29 29 LEU HA H 1 4.15 . . . . . . . . . . . 5663 1 250 . 1 1 29 29 LEU HB2 H 1 1.86 . . . . . . . . . . . 5663 1 251 . 1 1 29 29 LEU H H 1 8.34 . . . . . . . . . . . 5663 1 252 . 1 1 29 29 LEU N N 15 120.7 . . . . . . . . . . . 5663 1 253 . 1 1 29 29 LEU C C 13 177.6 . . . . . . . . . . . 5663 1 254 . 1 1 29 29 LEU CA C 13 56.98 . . . . . . . . . . . 5663 1 255 . 1 1 29 29 LEU CB C 13 31.16 . . . . . . . . . . . 5663 1 256 . 1 1 29 29 LEU HG H 1 1.78 . . . . . . . . . . . 5663 1 257 . 1 1 29 29 LEU HD11 H 1 0.91 . . . . . . . . . . . 5663 1 258 . 1 1 29 29 LEU HD12 H 1 0.91 . . . . . . . . . . . 5663 1 259 . 1 1 29 29 LEU HD13 H 1 0.91 . . . . . . . . . . . 5663 1 260 . 1 1 30 30 ASP HA H 1 4.5 . . . . . . . . . . . 5663 1 261 . 1 1 30 30 ASP HB2 H 1 2.9 . . . . . . . . . . . 5663 1 262 . 1 1 30 30 ASP HB3 H 1 2.06 . . . . . . . . . . . 5663 1 263 . 1 1 30 30 ASP H H 1 8.4 . . . . . . . . . . . 5663 1 264 . 1 1 30 30 ASP N N 15 119.45 . . . . . . . . . . . 5663 1 265 . 1 1 30 30 ASP C C 13 179.43 . . . . . . . . . . . 5663 1 266 . 1 1 30 30 ASP CA C 13 61.09 . . . . . . . . . . . 5663 1 267 . 1 1 30 30 ASP CB C 13 39.49 . . . . . . . . . . . 5663 1 268 . 1 1 31 31 VAL HA H 1 3.88 . . . . . . . . . . . 5663 1 269 . 1 1 31 31 VAL HB H 1 2.32 . . . . . . . . . . . 5663 1 270 . 1 1 31 31 VAL H H 1 7.92 . . . . . . . . . . . 5663 1 271 . 1 1 31 31 VAL N N 15 122.14 . . . . . . . . . . . 5663 1 272 . 1 1 31 31 VAL C C 13 180.2 . . . . . . . . . . . 5663 1 273 . 1 1 31 31 VAL CA C 13 57.6 . . . . . . . . . . . 5663 1 274 . 1 1 31 31 VAL CB C 13 39.64 . . . . . . . . . . . 5663 1 275 . 1 1 31 31 VAL HG11 H 1 1.07 . . . . . . . . . . . 5663 1 276 . 1 1 31 31 VAL HG12 H 1 1.07 . . . . . . . . . . . 5663 1 277 . 1 1 31 31 VAL HG13 H 1 1.07 . . . . . . . . . . . 5663 1 278 . 1 1 31 31 VAL HG21 H 1 0.95 . . . . . . . . . . . 5663 1 279 . 1 1 31 31 VAL HG22 H 1 0.95 . . . . . . . . . . . 5663 1 280 . 1 1 31 31 VAL HG23 H 1 0.95 . . . . . . . . . . . 5663 1 281 . 1 1 32 32 GLU HA H 1 3.99 . . . . . . . . . . . 5663 1 282 . 1 1 32 32 GLU HB2 H 1 2.19 . . . . . . . . . . . 5663 1 283 . 1 1 32 32 GLU HB3 H 1 2.34 . . . . . . . . . . . 5663 1 284 . 1 1 32 32 GLU H H 1 8.57 . . . . . . . . . . . 5663 1 285 . 1 1 32 32 GLU N N 15 121.29 . . . . . . . . . . . 5663 1 286 . 1 1 32 32 GLU C C 13 177.6 . . . . . . . . . . . 5663 1 287 . 1 1 32 32 GLU CA C 13 60.75 . . . . . . . . . . . 5663 1 288 . 1 1 32 32 GLU CB C 13 31.08 . . . . . . . . . . . 5663 1 289 . 1 1 32 32 GLU HG2 H 1 2.59 . . . . . . . . . . . 5663 1 290 . 1 1 33 33 LYS HA H 1 4.2 . . . . . . . . . . . 5663 1 291 . 1 1 33 33 LYS HB2 H 1 2.02 . . . . . . . . . . . 5663 1 292 . 1 1 33 33 LYS H H 1 8.44 . . . . . . . . . . . 5663 1 293 . 1 1 33 33 LYS N N 15 118.43 . . . . . . . . . . . 5663 1 294 . 1 1 33 33 LYS C C 13 179.06 . . . . . . . . . . . 5663 1 295 . 1 1 33 33 LYS CA C 13 57.63 . . . . . . . . . . . 5663 1 296 . 1 1 33 33 LYS CB C 13 30.52 . . . . . . . . . . . 5663 1 297 . 1 1 33 33 LYS HE2 H 1 3.03 . . . . . . . . . . . 5663 1 298 . 1 1 33 33 LYS HG2 H 1 1.7 . . . . . . . . . . . 5663 1 299 . 1 1 33 33 LYS HG3 H 1 1.59 . . . . . . . . . . . 5663 1 300 . 1 1 33 33 LYS HD2 H 1 1.79 . . . . . . . . . . . 5663 1 301 . 1 1 33 33 LYS HE3 H 1 3.03 . . . . . . . . . . . 5663 1 302 . 1 1 34 34 TRP HA H 1 4.26 . . . . . . . . . . . 5663 1 303 . 1 1 34 34 TRP HB2 H 1 3.79 . . . . . . . . . . . 5663 1 304 . 1 1 34 34 TRP HB3 H 1 3.41 . . . . . . . . . . . 5663 1 305 . 1 1 34 34 TRP H H 1 8.16 . . . . . . . . . . . 5663 1 306 . 1 1 34 34 TRP N N 15 123.09 . . . . . . . . . . . 5663 1 307 . 1 1 34 34 TRP C C 13 179.65 . . . . . . . . . . . 5663 1 308 . 1 1 34 34 TRP CA C 13 61.89 . . . . . . . . . . . 5663 1 309 . 1 1 34 34 TRP CB C 13 26.07 . . . . . . . . . . . 5663 1 310 . 1 1 34 34 TRP HZ2 H 1 7.68 . . . . . . . . . . . 5663 1 311 . 1 1 34 34 TRP HD1 H 1 7.42 . . . . . . . . . . . 5663 1 312 . 1 1 34 34 TRP HE3 H 1 7.18 . . . . . . . . . . . 5663 1 313 . 1 1 34 34 TRP HH2 H 1 7.05 . . . . . . . . . . . 5663 1 314 . 1 1 34 34 TRP HZ3 H 1 6.72 . . . . . . . . . . . 5663 1 315 . 1 1 35 35 ILE HA H 1 3.26 . . . . . . . . . . . 5663 1 316 . 1 1 35 35 ILE HB H 1 2.31 . . . . . . . . . . . 5663 1 317 . 1 1 35 35 ILE H H 1 9.12 . . . . . . . . . . . 5663 1 318 . 1 1 35 35 ILE N N 15 120.76 . . . . . . . . . . . 5663 1 319 . 1 1 35 35 ILE C C 13 178.72 . . . . . . . . . . . 5663 1 320 . 1 1 35 35 ILE CA C 13 66.74 . . . . . . . . . . . 5663 1 321 . 1 1 35 35 ILE CB C 13 37.37 . . . . . . . . . . . 5663 1 322 . 1 1 35 35 ILE HG21 H 1 1.05 . . . . . . . . . . . 5663 1 323 . 1 1 35 35 ILE HG22 H 1 1.05 . . . . . . . . . . . 5663 1 324 . 1 1 35 35 ILE HG23 H 1 1.05 . . . . . . . . . . . 5663 1 325 . 1 1 36 36 ASP HA H 1 4.3 . . . . . . . . . . . 5663 1 326 . 1 1 36 36 ASP HB2 H 1 2.79 . . . . . . . . . . . 5663 1 327 . 1 1 36 36 ASP HB3 H 1 2.7 . . . . . . . . . . . 5663 1 328 . 1 1 36 36 ASP H H 1 7.99 . . . . . . . . . . . 5663 1 329 . 1 1 36 36 ASP N N 15 118.84 . . . . . . . . . . . 5663 1 330 . 1 1 36 36 ASP C C 13 177.31 . . . . . . . . . . . 5663 1 331 . 1 1 36 36 ASP CA C 13 59.64 . . . . . . . . . . . 5663 1 332 . 1 1 36 36 ASP CB C 13 39.71 . . . . . . . . . . . 5663 1 333 . 1 1 37 37 GLY HA2 H 1 3.86 . . . . . . . . . . . 5663 1 334 . 1 1 37 37 GLY H H 1 7.83 . . . . . . . . . . . 5663 1 335 . 1 1 37 37 GLY N N 15 105.03 . . . . . . . . . . . 5663 1 336 . 1 1 37 37 GLY C C 13 179.33 . . . . . . . . . . . 5663 1 337 . 1 1 37 37 GLY CA C 13 46.99 . . . . . . . . . . . 5663 1 338 . 1 1 38 38 ARG HA H 1 4.07 . . . . . . . . . . . 5663 1 339 . 1 1 38 38 ARG HB2 H 1 1.48 . . . . . . . . . . . 5663 1 340 . 1 1 38 38 ARG HB3 H 1 1.38 . . . . . . . . . . . 5663 1 341 . 1 1 38 38 ARG H H 1 7.85 . . . . . . . . . . . 5663 1 342 . 1 1 38 38 ARG N N 15 121.0 . . . . . . . . . . . 5663 1 343 . 1 1 38 38 ARG C C 13 177.02 . . . . . . . . . . . 5663 1 344 . 1 1 38 38 ARG CA C 13 54.3 . . . . . . . . . . . 5663 1 345 . 1 1 38 38 ARG CB C 13 30.86 . . . . . . . . . . . 5663 1 346 . 1 1 38 38 ARG HD2 H 1 2.96 . . . . . . . . . . . 5663 1 347 . 1 1 39 39 LEU HA H 1 3.83 . . . . . . . . . . . 5663 1 348 . 1 1 39 39 LEU HB2 H 1 2.01 . . . . . . . . . . . 5663 1 349 . 1 1 39 39 LEU HB3 H 1 1.32 . . . . . . . . . . . 5663 1 350 . 1 1 39 39 LEU H H 1 8.86 . . . . . . . . . . . 5663 1 351 . 1 1 39 39 LEU N N 15 119.87 . . . . . . . . . . . 5663 1 352 . 1 1 39 39 LEU C C 13 179.84 . . . . . . . . . . . 5663 1 353 . 1 1 39 39 LEU CA C 13 57.96 . . . . . . . . . . . 5663 1 354 . 1 1 39 39 LEU CB C 13 40.92 . . . . . . . . . . . 5663 1 355 . 1 1 39 39 LEU HG H 1 1.81 . . . . . . . . . . . 5663 1 356 . 1 1 39 39 LEU HD11 H 1 0.74 . . . . . . . . . . . 5663 1 357 . 1 1 39 39 LEU HD12 H 1 0.74 . . . . . . . . . . . 5663 1 358 . 1 1 39 39 LEU HD13 H 1 0.74 . . . . . . . . . . . 5663 1 359 . 1 1 39 39 LEU HD21 H 1 0.57 . . . . . . . . . . . 5663 1 360 . 1 1 39 39 LEU HD22 H 1 0.57 . . . . . . . . . . . 5663 1 361 . 1 1 39 39 LEU HD23 H 1 0.57 . . . . . . . . . . . 5663 1 362 . 1 1 40 40 GLU HA H 1 3.9 . . . . . . . . . . . 5663 1 363 . 1 1 40 40 GLU HB2 H 1 2.03 . . . . . . . . . . . 5663 1 364 . 1 1 40 40 GLU H H 1 7.63 . . . . . . . . . . . 5663 1 365 . 1 1 40 40 GLU N N 15 117.54 . . . . . . . . . . . 5663 1 366 . 1 1 40 40 GLU C C 13 178.86 . . . . . . . . . . . 5663 1 367 . 1 1 40 40 GLU CA C 13 59.69 . . . . . . . . . . . 5663 1 368 . 1 1 40 40 GLU CB C 13 27.14 . . . . . . . . . . . 5663 1 369 . 1 1 40 40 GLU HG2 H 1 2.47 . . . . . . . . . . . 5663 1 370 . 1 1 40 40 GLU HG3 H 1 2.17 . . . . . . . . . . . 5663 1 371 . 1 1 41 41 GLU HA H 1 3.98 . . . . . . . . . . . 5663 1 372 . 1 1 41 41 GLU HB2 H 1 2.16 . . . . . . . . . . . 5663 1 373 . 1 1 41 41 GLU HB3 H 1 2.0 . . . . . . . . . . . 5663 1 374 . 1 1 41 41 GLU H H 1 6.89 . . . . . . . . . . . 5663 1 375 . 1 1 41 41 GLU N N 15 116.07 . . . . . . . . . . . 5663 1 376 . 1 1 41 41 GLU C C 13 178.37 . . . . . . . . . . . 5663 1 377 . 1 1 41 41 GLU CA C 13 58.73 . . . . . . . . . . . 5663 1 378 . 1 1 41 41 GLU CB C 13 27.85 . . . . . . . . . . . 5663 1 379 . 1 1 41 41 GLU HG2 H 1 2.35 . . . . . . . . . . . 5663 1 380 . 1 1 41 41 GLU HG3 H 1 2.3 . . . . . . . . . . . 5663 1 381 . 1 1 42 42 LEU HA H 1 3.79 . . . . . . . . . . . 5663 1 382 . 1 1 42 42 LEU HB2 H 1 1.66 . . . . . . . . . . . 5663 1 383 . 1 1 42 42 LEU HB3 H 1 1.28 . . . . . . . . . . . 5663 1 384 . 1 1 42 42 LEU H H 1 8.48 . . . . . . . . . . . 5663 1 385 . 1 1 42 42 LEU N N 15 120.53 . . . . . . . . . . . 5663 1 386 . 1 1 42 42 LEU C C 13 179.05 . . . . . . . . . . . 5663 1 387 . 1 1 42 42 LEU CA C 13 57.68 . . . . . . . . . . . 5663 1 388 . 1 1 42 42 LEU CB C 13 42.17 . . . . . . . . . . . 5663 1 389 . 1 1 42 42 LEU HG H 1 1.58 . . . . . . . . . . . 5663 1 390 . 1 1 42 42 LEU HD11 H 1 0.73 . . . . . . . . . . . 5663 1 391 . 1 1 42 42 LEU HD12 H 1 0.73 . . . . . . . . . . . 5663 1 392 . 1 1 42 42 LEU HD13 H 1 0.73 . . . . . . . . . . . 5663 1 393 . 1 1 42 42 LEU HD21 H 1 0.3 . . . . . . . . . . . 5663 1 394 . 1 1 42 42 LEU HD22 H 1 0.3 . . . . . . . . . . . 5663 1 395 . 1 1 42 42 LEU HD23 H 1 0.3 . . . . . . . . . . . 5663 1 396 . 1 1 43 43 TYR HA H 1 4.26 . . . . . . . . . . . 5663 1 397 . 1 1 43 43 TYR HB2 H 1 2.61 . . . . . . . . . . . 5663 1 398 . 1 1 43 43 TYR HB3 H 1 3.33 . . . . . . . . . . . 5663 1 399 . 1 1 43 43 TYR H H 1 7.91 . . . . . . . . . . . 5663 1 400 . 1 1 43 43 TYR N N 15 114.37 . . . . . . . . . . . 5663 1 401 . 1 1 43 43 TYR C C 13 178.3 . . . . . . . . . . . 5663 1 402 . 1 1 43 43 TYR CA C 13 55.07 . . . . . . . . . . . 5663 1 403 . 1 1 43 43 TYR CB C 13 35.48 . . . . . . . . . . . 5663 1 404 . 1 1 43 43 TYR HD1 H 1 7.28 . . . . . . . . . . . 5663 1 405 . 1 1 43 43 TYR HE1 H 1 6.45 . . . . . . . . . . . 5663 1 406 . 1 1 44 44 ARG HA H 1 4.14 . . . . . . . . . . . 5663 1 407 . 1 1 44 44 ARG HB2 H 1 2.15 . . . . . . . . . . . 5663 1 408 . 1 1 44 44 ARG HB3 H 1 1.69 . . . . . . . . . . . 5663 1 409 . 1 1 44 44 ARG H H 1 6.85 . . . . . . . . . . . 5663 1 410 . 1 1 44 44 ARG N N 15 123.13 . . . . . . . . . . . 5663 1 411 . 1 1 44 44 ARG C C 13 174.19 . . . . . . . . . . . 5663 1 412 . 1 1 44 44 ARG CA C 13 58.78 . . . . . . . . . . . 5663 1 413 . 1 1 44 44 ARG CB C 13 26.91 . . . . . . . . . . . 5663 1 414 . 1 1 44 44 ARG HG2 H 1 1.38 . . . . . . . . . . . 5663 1 415 . 1 1 44 44 ARG HD2 H 1 3.22 . . . . . . . . . . . 5663 1 416 . 1 1 45 45 GLY HA2 H 1 4.34 . . . . . . . . . . . 5663 1 417 . 1 1 45 45 GLY HA3 H 1 3.88 . . . . . . . . . . . 5663 1 418 . 1 1 45 45 GLY H H 1 9.39 . . . . . . . . . . . 5663 1 419 . 1 1 45 45 GLY N N 15 118.83 . . . . . . . . . . . 5663 1 420 . 1 1 45 45 GLY C C 13 178.48 . . . . . . . . . . . 5663 1 421 . 1 1 45 45 GLY CA C 13 45.93 . . . . . . . . . . . 5663 1 422 . 1 1 46 46 ARG HA H 1 4.77 . . . . . . . . . . . 5663 1 423 . 1 1 46 46 ARG HB2 H 1 2.32 . . . . . . . . . . . 5663 1 424 . 1 1 46 46 ARG HB3 H 1 1.53 . . . . . . . . . . . 5663 1 425 . 1 1 46 46 ARG H H 1 8.72 . . . . . . . . . . . 5663 1 426 . 1 1 46 46 ARG N N 15 123.7 . . . . . . . . . . . 5663 1 427 . 1 1 46 46 ARG C C 13 174.2 . . . . . . . . . . . 5663 1 428 . 1 1 46 46 ARG CA C 13 54.27 . . . . . . . . . . . 5663 1 429 . 1 1 46 46 ARG CB C 13 28.44 . . . . . . . . . . . 5663 1 430 . 1 1 46 46 ARG HG2 H 1 1.63 . . . . . . . . . . . 5663 1 431 . 1 1 46 46 ARG HD2 H 1 3.28 . . . . . . . . . . . 5663 1 432 . 1 1 47 47 GLU HA H 1 3.74 . . . . . . . . . . . 5663 1 433 . 1 1 47 47 GLU HB2 H 1 2.01 . . . . . . . . . . . 5663 1 434 . 1 1 47 47 GLU HB3 H 1 2.3 . . . . . . . . . . . 5663 1 435 . 1 1 47 47 GLU H H 1 9.28 . . . . . . . . . . . 5663 1 436 . 1 1 47 47 GLU N N 15 121.31 . . . . . . . . . . . 5663 1 437 . 1 1 47 47 GLU C C 13 177.02 . . . . . . . . . . . 5663 1 438 . 1 1 47 47 GLU CA C 13 62.39 . . . . . . . . . . . 5663 1 439 . 1 1 47 47 GLU CB C 13 25.95 . . . . . . . . . . . 5663 1 440 . 1 1 47 47 GLU HG2 H 1 1.9 . . . . . . . . . . . 5663 1 441 . 1 1 47 47 GLU HG3 H 1 2.62 . . . . . . . . . . . 5663 1 442 . 1 1 48 48 ALA HA H 1 4.13 . . . . . . . . . . . 5663 1 443 . 1 1 48 48 ALA HB1 H 1 1.38 . . . . . . . . . . . 5663 1 444 . 1 1 48 48 ALA HB2 H 1 1.38 . . . . . . . . . . . 5663 1 445 . 1 1 48 48 ALA HB3 H 1 1.38 . . . . . . . . . . . 5663 1 446 . 1 1 48 48 ALA H H 1 8.58 . . . . . . . . . . . 5663 1 447 . 1 1 48 48 ALA N N 15 120.4 . . . . . . . . . . . 5663 1 448 . 1 1 48 48 ALA C C 13 177.09 . . . . . . . . . . . 5663 1 449 . 1 1 48 48 ALA CA C 13 54.1 . . . . . . . . . . . 5663 1 450 . 1 1 48 48 ALA CB C 13 18.12 . . . . . . . . . . . 5663 1 451 . 1 1 49 49 ASP HA H 1 4.67 . . . . . . . . . . . 5663 1 452 . 1 1 49 49 ASP HB2 H 1 2.92 . . . . . . . . . . . 5663 1 453 . 1 1 49 49 ASP H H 1 7.96 . . . . . . . . . . . 5663 1 454 . 1 1 49 49 ASP N N 15 115.7 . . . . . . . . . . . 5663 1 455 . 1 1 49 49 ASP C C 13 178.35 . . . . . . . . . . . 5663 1 456 . 1 1 49 49 ASP CA C 13 55.66 . . . . . . . . . . . 5663 1 457 . 1 1 49 49 ASP CB C 13 44.87 . . . . . . . . . . . 5663 1 458 . 1 1 50 50 MET HA H 1 2.58 . . . . . . . . . . . 5663 1 459 . 1 1 50 50 MET HB2 H 1 1.69 . . . . . . . . . . . 5663 1 460 . 1 1 50 50 MET HB3 H 1 1.5 . . . . . . . . . . . 5663 1 461 . 1 1 50 50 MET H H 1 7.13 . . . . . . . . . . . 5663 1 462 . 1 1 50 50 MET N N 15 121.32 . . . . . . . . . . . 5663 1 463 . 1 1 50 50 MET C C 13 175.05 . . . . . . . . . . . 5663 1 464 . 1 1 50 50 MET CA C 13 54.39 . . . . . . . . . . . 5663 1 465 . 1 1 50 50 MET CB C 13 40.74 . . . . . . . . . . . 5663 1 466 . 1 1 50 50 MET HG2 H 1 2.12 . . . . . . . . . . . 5663 1 467 . 1 1 51 51 PRO HA H 1 4.38 . . . . . . . . . . . 5663 1 468 . 1 1 51 51 PRO HB2 H 1 2.34 . . . . . . . . . . . 5663 1 469 . 1 1 51 51 PRO HB3 H 1 1.71 . . . . . . . . . . . 5663 1 470 . 1 1 51 51 PRO CA C 13 52.11 . . . . . . . . . . . 5663 1 471 . 1 1 51 51 PRO CB C 13 29.08 . . . . . . . . . . . 5663 1 472 . 1 1 51 51 PRO HG2 H 1 1.89 . . . . . . . . . . . 5663 1 473 . 1 1 51 51 PRO HG3 H 1 1.73 . . . . . . . . . . . 5663 1 474 . 1 1 51 51 PRO HD2 H 1 3.34 . . . . . . . . . . . 5663 1 475 . 1 1 51 51 PRO HD3 H 1 2.96 . . . . . . . . . . . 5663 1 476 . 1 1 52 52 ASP HA H 1 4.29 . . . . . . . . . . . 5663 1 477 . 1 1 52 52 ASP HB2 H 1 2.61 . . . . . . . . . . . 5663 1 478 . 1 1 52 52 ASP H H 1 8.43 . . . . . . . . . . . 5663 1 479 . 1 1 52 52 ASP N N 15 121.15 . . . . . . . . . . . 5663 1 480 . 1 1 52 52 ASP C C 13 177.62 . . . . . . . . . . . 5663 1 481 . 1 1 52 52 ASP CA C 13 56.98 . . . . . . . . . . . 5663 1 482 . 1 1 52 52 ASP CB C 13 58.51 . . . . . . . . . . . 5663 1 483 . 1 1 53 53 GLU HA H 1 4.41 . . . . . . . . . . . 5663 1 484 . 1 1 53 53 GLU HB2 H 1 2.04 . . . . . . . . . . . 5663 1 485 . 1 1 53 53 GLU HB3 H 1 1.9 . . . . . . . . . . . 5663 1 486 . 1 1 53 53 GLU H H 1 7.54 . . . . . . . . . . . 5663 1 487 . 1 1 53 53 GLU N N 15 113.89 . . . . . . . . . . . 5663 1 488 . 1 1 53 53 GLU C C 13 176.14 . . . . . . . . . . . 5663 1 489 . 1 1 53 53 GLU CA C 13 55.72 . . . . . . . . . . . 5663 1 490 . 1 1 53 53 GLU CB C 13 30.2 . . . . . . . . . . . 5663 1 491 . 1 1 53 53 GLU HG2 H 1 2.16 . . . . . . . . . . . 5663 1 492 . 1 1 53 53 GLU HG3 H 1 2.0 . . . . . . . . . . . 5663 1 493 . 1 1 54 54 VAL HA H 1 3.93 . . . . . . . . . . . 5663 1 494 . 1 1 54 54 VAL HB H 1 2.16 . . . . . . . . . . . 5663 1 495 . 1 1 54 54 VAL H H 1 8.76 . . . . . . . . . . . 5663 1 496 . 1 1 54 54 VAL N N 15 125.14 . . . . . . . . . . . 5663 1 497 . 1 1 54 54 VAL C C 13 175.28 . . . . . . . . . . . 5663 1 498 . 1 1 54 54 VAL CA C 13 64.01 . . . . . . . . . . . 5663 1 499 . 1 1 54 54 VAL CB C 13 30.14 . . . . . . . . . . . 5663 1 500 . 1 1 54 54 VAL HG11 H 1 0.81 . . . . . . . . . . . 5663 1 501 . 1 1 54 54 VAL HG12 H 1 0.81 . . . . . . . . . . . 5663 1 502 . 1 1 54 54 VAL HG13 H 1 0.81 . . . . . . . . . . . 5663 1 503 . 1 1 54 54 VAL HG21 H 1 0.89 . . . . . . . . . . . 5663 1 504 . 1 1 54 54 VAL HG22 H 1 0.89 . . . . . . . . . . . 5663 1 505 . 1 1 54 54 VAL HG23 H 1 0.89 . . . . . . . . . . . 5663 1 506 . 1 1 55 55 ASN HA H 1 4.67 . . . . . . . . . . . 5663 1 507 . 1 1 55 55 ASN HB2 H 1 2.99 . . . . . . . . . . . 5663 1 508 . 1 1 55 55 ASN HB3 H 1 2.58 . . . . . . . . . . . 5663 1 509 . 1 1 55 55 ASN H H 1 8.78 . . . . . . . . . . . 5663 1 510 . 1 1 55 55 ASN N N 15 125.13 . . . . . . . . . . . 5663 1 511 . 1 1 55 55 ASN C C 13 174.01 . . . . . . . . . . . 5663 1 512 . 1 1 55 55 ASN CA C 13 53.96 . . . . . . . . . . . 5663 1 513 . 1 1 55 55 ASN CB C 13 37.81 . . . . . . . . . . . 5663 1 514 . 1 1 55 55 ASN ND2 N 15 113.33 . . . . . . . . . . . 5663 1 515 . 1 1 56 56 ILE HA H 1 3.62 . . . . . . . . . . . 5663 1 516 . 1 1 56 56 ILE HB H 1 1.81 . . . . . . . . . . . 5663 1 517 . 1 1 56 56 ILE H H 1 8.83 . . . . . . . . . . . 5663 1 518 . 1 1 56 56 ILE N N 15 125.91 . . . . . . . . . . . 5663 1 519 . 1 1 56 56 ILE C C 13 176.22 . . . . . . . . . . . 5663 1 520 . 1 1 56 56 ILE CA C 13 65.21 . . . . . . . . . . . 5663 1 521 . 1 1 56 56 ILE CB C 13 37.4 . . . . . . . . . . . 5663 1 522 . 1 1 56 56 ILE HG12 H 1 0.8 . . . . . . . . . . . 5663 1 523 . 1 1 56 56 ILE HG13 H 1 1.86 . . . . . . . . . . . 5663 1 524 . 1 1 56 56 ILE HG21 H 1 1.1 . . . . . . . . . . . 5663 1 525 . 1 1 56 56 ILE HG22 H 1 1.1 . . . . . . . . . . . 5663 1 526 . 1 1 56 56 ILE HG23 H 1 1.1 . . . . . . . . . . . 5663 1 527 . 1 1 56 56 ILE HD11 H 1 0.86 . . . . . . . . . . . 5663 1 528 . 1 1 56 56 ILE HD12 H 1 0.86 . . . . . . . . . . . 5663 1 529 . 1 1 56 56 ILE HD13 H 1 0.86 . . . . . . . . . . . 5663 1 530 . 1 1 57 57 ASP HA H 1 4.31 . . . . . . . . . . . 5663 1 531 . 1 1 57 57 ASP HB2 H 1 2.8 . . . . . . . . . . . 5663 1 532 . 1 1 57 57 ASP HB3 H 1 2.63 . . . . . . . . . . . 5663 1 533 . 1 1 57 57 ASP H H 1 8.0 . . . . . . . . . . . 5663 1 534 . 1 1 57 57 ASP N N 15 120.16 . . . . . . . . . . . 5663 1 535 . 1 1 57 57 ASP C C 13 176.09 . . . . . . . . . . . 5663 1 536 . 1 1 57 57 ASP CA C 13 58.6 . . . . . . . . . . . 5663 1 537 . 1 1 57 57 ASP CB C 13 39.26 . . . . . . . . . . . 5663 1 538 . 1 1 58 58 GLU HA H 1 3.98 . . . . . . . . . . . 5663 1 539 . 1 1 58 58 GLU HB2 H 1 2.0 . . . . . . . . . . . 5663 1 540 . 1 1 58 58 GLU H H 1 7.81 . . . . . . . . . . . 5663 1 541 . 1 1 58 58 GLU N N 15 118.35 . . . . . . . . . . . 5663 1 542 . 1 1 58 58 GLU C C 13 178.87 . . . . . . . . . . . 5663 1 543 . 1 1 58 58 GLU CA C 13 58.69 . . . . . . . . . . . 5663 1 544 . 1 1 58 58 GLU CB C 13 28.03 . . . . . . . . . . . 5663 1 545 . 1 1 58 58 GLU HG2 H 1 2.16 . . . . . . . . . . . 5663 1 546 . 1 1 59 59 LEU HA H 1 4.09 . . . . . . . . . . . 5663 1 547 . 1 1 59 59 LEU HB2 H 1 2.09 . . . . . . . . . . . 5663 1 548 . 1 1 59 59 LEU HB3 H 1 1.11 . . . . . . . . . . . 5663 1 549 . 1 1 59 59 LEU H H 1 7.36 . . . . . . . . . . . 5663 1 550 . 1 1 59 59 LEU N N 15 117.65 . . . . . . . . . . . 5663 1 551 . 1 1 59 59 LEU C C 13 179.47 . . . . . . . . . . . 5663 1 552 . 1 1 59 59 LEU CA C 13 57.65 . . . . . . . . . . . 5663 1 553 . 1 1 59 59 LEU CB C 13 42.11 . . . . . . . . . . . 5663 1 554 . 1 1 59 59 LEU HG H 1 1.93 . . . . . . . . . . . 5663 1 555 . 1 1 59 59 LEU HD11 H 1 0.84 . . . . . . . . . . . 5663 1 556 . 1 1 59 59 LEU HD12 H 1 0.84 . . . . . . . . . . . 5663 1 557 . 1 1 59 59 LEU HD13 H 1 0.84 . . . . . . . . . . . 5663 1 558 . 1 1 59 59 LEU HD21 H 1 0.76 . . . . . . . . . . . 5663 1 559 . 1 1 59 59 LEU HD22 H 1 0.76 . . . . . . . . . . . 5663 1 560 . 1 1 59 59 LEU HD23 H 1 0.76 . . . . . . . . . . . 5663 1 561 . 1 1 60 60 LEU HA H 1 4.09 . . . . . . . . . . . 5663 1 562 . 1 1 60 60 LEU HB2 H 1 1.95 . . . . . . . . . . . 5663 1 563 . 1 1 60 60 LEU HB3 H 1 1.38 . . . . . . . . . . . 5663 1 564 . 1 1 60 60 LEU H H 1 8.22 . . . . . . . . . . . 5663 1 565 . 1 1 60 60 LEU N N 15 116.8 . . . . . . . . . . . 5663 1 566 . 1 1 60 60 LEU C C 13 178.76 . . . . . . . . . . . 5663 1 567 . 1 1 60 60 LEU CA C 13 56.36 . . . . . . . . . . . 5663 1 568 . 1 1 60 60 LEU CB C 13 44.69 . . . . . . . . . . . 5663 1 569 . 1 1 60 60 LEU HD11 H 1 0.83 . . . . . . . . . . . 5663 1 570 . 1 1 60 60 LEU HD12 H 1 0.83 . . . . . . . . . . . 5663 1 571 . 1 1 60 60 LEU HD13 H 1 0.83 . . . . . . . . . . . 5663 1 572 . 1 1 60 60 LEU HD21 H 1 0.77 . . . . . . . . . . . 5663 1 573 . 1 1 60 60 LEU HD22 H 1 0.77 . . . . . . . . . . . 5663 1 574 . 1 1 60 60 LEU HD23 H 1 0.77 . . . . . . . . . . . 5663 1 575 . 1 1 61 61 GLU HA H 1 4.04 . . . . . . . . . . . 5663 1 576 . 1 1 61 61 GLU HB2 H 1 2.05 . . . . . . . . . . . 5663 1 577 . 1 1 61 61 GLU HB3 H 1 2.08 . . . . . . . . . . . 5663 1 578 . 1 1 61 61 GLU H H 1 7.28 . . . . . . . . . . . 5663 1 579 . 1 1 61 61 GLU N N 15 116.0 . . . . . . . . . . . 5663 1 580 . 1 1 61 61 GLU C C 13 178.33 . . . . . . . . . . . 5663 1 581 . 1 1 61 61 GLU CA C 13 57.36 . . . . . . . . . . . 5663 1 582 . 1 1 61 61 GLU CB C 13 28.08 . . . . . . . . . . . 5663 1 583 . 1 1 61 61 GLU HG2 H 1 2.42 . . . . . . . . . . . 5663 1 584 . 1 1 61 61 GLU HG3 H 1 2.34 . . . . . . . . . . . 5663 1 585 . 1 1 62 62 LEU HA H 1 4.45 . . . . . . . . . . . 5663 1 586 . 1 1 62 62 LEU HB2 H 1 2.12 . . . . . . . . . . . 5663 1 587 . 1 1 62 62 LEU HB3 H 1 1.25 . . . . . . . . . . . 5663 1 588 . 1 1 62 62 LEU H H 1 7.16 . . . . . . . . . . . 5663 1 589 . 1 1 62 62 LEU N N 15 119.66 . . . . . . . . . . . 5663 1 590 . 1 1 62 62 LEU C C 13 177.14 . . . . . . . . . . . 5663 1 591 . 1 1 62 62 LEU CA C 13 53.92 . . . . . . . . . . . 5663 1 592 . 1 1 62 62 LEU CB C 13 40.89 . . . . . . . . . . . 5663 1 593 . 1 1 62 62 LEU HG H 1 2.0 . . . . . . . . . . . 5663 1 594 . 1 1 62 62 LEU HD11 H 1 0.9 . . . . . . . . . . . 5663 1 595 . 1 1 62 62 LEU HD12 H 1 0.9 . . . . . . . . . . . 5663 1 596 . 1 1 62 62 LEU HD13 H 1 0.9 . . . . . . . . . . . 5663 1 597 . 1 1 63 63 GLU HA H 1 4.13 . . . . . . . . . . . 5663 1 598 . 1 1 63 63 GLU HB2 H 1 2.15 . . . . . . . . . . . 5663 1 599 . 1 1 63 63 GLU HB3 H 1 2.11 . . . . . . . . . . . 5663 1 600 . 1 1 63 63 GLU H H 1 8.76 . . . . . . . . . . . 5663 1 601 . 1 1 63 63 GLU N N 15 122.9 . . . . . . . . . . . 5663 1 602 . 1 1 63 63 GLU C C 13 177.04 . . . . . . . . . . . 5663 1 603 . 1 1 63 63 GLU CA C 13 58.38 . . . . . . . . . . . 5663 1 604 . 1 1 63 63 GLU CB C 13 28.61 . . . . . . . . . . . 5663 1 605 . 1 1 63 63 GLU HG2 H 1 2.24 . . . . . . . . . . . 5663 1 606 . 1 1 63 63 GLU HG3 H 1 2.35 . . . . . . . . . . . 5663 1 607 . 1 1 64 64 SER HA H 1 4.77 . . . . . . . . . . . 5663 1 608 . 1 1 64 64 SER HB2 H 1 4.25 . . . . . . . . . . . 5663 1 609 . 1 1 64 64 SER HB3 H 1 3.9 . . . . . . . . . . . 5663 1 610 . 1 1 64 64 SER H H 1 7.81 . . . . . . . . . . . 5663 1 611 . 1 1 64 64 SER N N 15 111.57 . . . . . . . . . . . 5663 1 612 . 1 1 64 64 SER C C 13 177.04 . . . . . . . . . . . 5663 1 613 . 1 1 64 64 SER CA C 13 56.33 . . . . . . . . . . . 5663 1 614 . 1 1 64 64 SER CB C 13 67.39 . . . . . . . . . . . 5663 1 615 . 1 1 65 65 GLU HA H 1 3.94 . . . . . . . . . . . 5663 1 616 . 1 1 65 65 GLU HB2 H 1 1.98 . . . . . . . . . . . 5663 1 617 . 1 1 65 65 GLU H H 1 9.17 . . . . . . . . . . . 5663 1 618 . 1 1 65 65 GLU N N 15 127.07 . . . . . . . . . . . 5663 1 619 . 1 1 65 65 GLU C C 13 175.7 . . . . . . . . . . . 5663 1 620 . 1 1 65 65 GLU CA C 13 57.41 . . . . . . . . . . . 5663 1 621 . 1 1 65 65 GLU CB C 13 27.42 . . . . . . . . . . . 5663 1 622 . 1 1 65 65 GLU HG2 H 1 2.48 . . . . . . . . . . . 5663 1 623 . 1 1 65 65 GLU HG3 H 1 2.33 . . . . . . . . . . . 5663 1 624 . 1 1 66 66 GLU HA H 1 4.08 . . . . . . . . . . . 5663 1 625 . 1 1 66 66 GLU HB2 H 1 1.97 . . . . . . . . . . . 5663 1 626 . 1 1 66 66 GLU HB3 H 1 2.06 . . . . . . . . . . . 5663 1 627 . 1 1 66 66 GLU H H 1 8.7 . . . . . . . . . . . 5663 1 628 . 1 1 66 66 GLU N N 15 120.5 . . . . . . . . . . . 5663 1 629 . 1 1 66 66 GLU C C 13 178.78 . . . . . . . . . . . 5663 1 630 . 1 1 66 66 GLU CA C 13 60.01 . . . . . . . . . . . 5663 1 631 . 1 1 66 66 GLU CB C 13 26.9 . . . . . . . . . . . 5663 1 632 . 1 1 66 66 GLU HG2 H 1 2.3 . . . . . . . . . . . 5663 1 633 . 1 1 67 67 GLU HA H 1 4.05 . . . . . . . . . . . 5663 1 634 . 1 1 67 67 GLU HB2 H 1 2.16 . . . . . . . . . . . 5663 1 635 . 1 1 67 67 GLU HB3 H 1 2.0 . . . . . . . . . . . 5663 1 636 . 1 1 67 67 GLU H H 1 7.7 . . . . . . . . . . . 5663 1 637 . 1 1 67 67 GLU N N 15 118.9 . . . . . . . . . . . 5663 1 638 . 1 1 67 67 GLU C C 13 179.24 . . . . . . . . . . . 5663 1 639 . 1 1 67 67 GLU CA C 13 59.16 . . . . . . . . . . . 5663 1 640 . 1 1 67 67 GLU CB C 13 28.66 . . . . . . . . . . . 5663 1 641 . 1 1 67 67 GLU HG2 H 1 2.37 . . . . . . . . . . . 5663 1 642 . 1 1 67 67 GLU HG3 H 1 2.32 . . . . . . . . . . . 5663 1 643 . 1 1 68 68 ARG HA H 1 3.88 . . . . . . . . . . . 5663 1 644 . 1 1 68 68 ARG HB2 H 1 2.05 . . . . . . . . . . . 5663 1 645 . 1 1 68 68 ARG HB3 H 1 2.02 . . . . . . . . . . . 5663 1 646 . 1 1 68 68 ARG H H 1 8.12 . . . . . . . . . . . 5663 1 647 . 1 1 68 68 ARG N N 15 119.63 . . . . . . . . . . . 5663 1 648 . 1 1 68 68 ARG C C 13 178.81 . . . . . . . . . . . 5663 1 649 . 1 1 68 68 ARG CA C 13 62.25 . . . . . . . . . . . 5663 1 650 . 1 1 68 68 ARG CB C 13 29.29 . . . . . . . . . . . 5663 1 651 . 1 1 68 68 ARG HG2 H 1 2.4 . . . . . . . . . . . 5663 1 652 . 1 1 68 68 ARG HG3 H 1 2.32 . . . . . . . . . . . 5663 1 653 . 1 1 68 68 ARG HD2 H 1 2.93 . . . . . . . . . . . 5663 1 654 . 1 1 68 68 ARG HD3 H 1 2.89 . . . . . . . . . . . 5663 1 655 . 1 1 69 69 SER HA H 1 3.89 . . . . . . . . . . . 5663 1 656 . 1 1 69 69 SER HB2 H 1 4.0 . . . . . . . . . . . 5663 1 657 . 1 1 69 69 SER HB3 H 1 3.97 . . . . . . . . . . . 5663 1 658 . 1 1 69 69 SER H H 1 8.66 . . . . . . . . . . . 5663 1 659 . 1 1 69 69 SER N N 15 113.48 . . . . . . . . . . . 5663 1 660 . 1 1 69 69 SER C C 13 177.58 . . . . . . . . . . . 5663 1 661 . 1 1 69 69 SER CA C 13 61.88 . . . . . . . . . . . 5663 1 662 . 1 1 69 69 SER CB C 13 63.46 . . . . . . . . . . . 5663 1 663 . 1 1 70 70 ARG HA H 1 4.05 . . . . . . . . . . . 5663 1 664 . 1 1 70 70 ARG HB2 H 1 1.91 . . . . . . . . . . . 5663 1 665 . 1 1 70 70 ARG H H 1 7.93 . . . . . . . . . . . 5663 1 666 . 1 1 70 70 ARG N N 15 119.42 . . . . . . . . . . . 5663 1 667 . 1 1 70 70 ARG C C 13 179.5 . . . . . . . . . . . 5663 1 668 . 1 1 70 70 ARG CA C 13 59.75 . . . . . . . . . . . 5663 1 669 . 1 1 70 70 ARG CB C 13 30.04 . . . . . . . . . . . 5663 1 670 . 1 1 70 70 ARG HD2 H 1 3.26 . . . . . . . . . . . 5663 1 671 . 1 1 70 70 ARG HD3 H 1 3.18 . . . . . . . . . . . 5663 1 672 . 1 1 71 71 LYS HA H 1 4.2 . . . . . . . . . . . 5663 1 673 . 1 1 71 71 LYS HB2 H 1 1.8 . . . . . . . . . . . 5663 1 674 . 1 1 71 71 LYS HB3 H 1 1.65 . . . . . . . . . . . 5663 1 675 . 1 1 71 71 LYS H H 1 7.93 . . . . . . . . . . . 5663 1 676 . 1 1 71 71 LYS N N 15 120.88 . . . . . . . . . . . 5663 1 677 . 1 1 71 71 LYS C C 13 179.77 . . . . . . . . . . . 5663 1 678 . 1 1 71 71 LYS CA C 13 58.6 . . . . . . . . . . . 5663 1 679 . 1 1 71 71 LYS CB C 13 29.77 . . . . . . . . . . . 5663 1 680 . 1 1 71 71 LYS HE2 H 1 2.95 . . . . . . . . . . . 5663 1 681 . 1 1 71 71 LYS HG2 H 1 0.91 . . . . . . . . . . . 5663 1 682 . 1 1 71 71 LYS HD2 H 1 1.89 . . . . . . . . . . . 5663 1 683 . 1 1 71 71 LYS HE3 H 1 2.93 . . . . . . . . . . . 5663 1 684 . 1 1 72 72 ILE HA H 1 3.26 . . . . . . . . . . . 5663 1 685 . 1 1 72 72 ILE HB H 1 2.31 . . . . . . . . . . . 5663 1 686 . 1 1 72 72 ILE H H 1 8.4 . . . . . . . . . . . 5663 1 687 . 1 1 72 72 ILE N N 15 119.45 . . . . . . . . . . . 5663 1 688 . 1 1 72 72 ILE C C 13 179.43 . . . . . . . . . . . 5663 1 689 . 1 1 72 72 ILE CA C 13 65.64 . . . . . . . . . . . 5663 1 690 . 1 1 72 72 ILE CB C 13 39.49 . . . . . . . . . . . 5663 1 691 . 1 1 72 72 ILE HG12 H 1 1.05 . . . . . . . . . . . 5663 1 692 . 1 1 72 72 ILE HG13 H 1 2.05 . . . . . . . . . . . 5663 1 693 . 1 1 72 72 ILE HG21 H 1 2.01 . . . . . . . . . . . 5663 1 694 . 1 1 72 72 ILE HG22 H 1 2.01 . . . . . . . . . . . 5663 1 695 . 1 1 72 72 ILE HG23 H 1 2.01 . . . . . . . . . . . 5663 1 696 . 1 1 72 72 ILE HD11 H 1 0.81 . . . . . . . . . . . 5663 1 697 . 1 1 72 72 ILE HD12 H 1 0.81 . . . . . . . . . . . 5663 1 698 . 1 1 72 72 ILE HD13 H 1 0.81 . . . . . . . . . . . 5663 1 699 . 1 1 73 73 GLN HA H 1 3.88 . . . . . . . . . . . 5663 1 700 . 1 1 73 73 GLN HB2 H 1 2.07 . . . . . . . . . . . 5663 1 701 . 1 1 73 73 GLN H H 1 8.76 . . . . . . . . . . . 5663 1 702 . 1 1 73 73 GLN N N 15 117.42 . . . . . . . . . . . 5663 1 703 . 1 1 73 73 GLN C C 13 177.63 . . . . . . . . . . . 5663 1 704 . 1 1 73 73 GLN CA C 13 59.6 . . . . . . . . . . . 5663 1 705 . 1 1 73 73 GLN CB C 13 26.44 . . . . . . . . . . . 5663 1 706 . 1 1 73 73 GLN NE2 N 15 111.67 . . . . . . . . . . . 5663 1 707 . 1 1 73 73 GLN HG2 H 1 2.46 . . . . . . . . . . . 5663 1 708 . 1 1 73 73 GLN HG3 H 1 2.19 . . . . . . . . . . . 5663 1 709 . 1 1 74 74 GLY HA2 H 1 3.98 . . . . . . . . . . . 5663 1 710 . 1 1 74 74 GLY H H 1 8.01 . . . . . . . . . . . 5663 1 711 . 1 1 74 74 GLY N N 15 105.8 . . . . . . . . . . . 5663 1 712 . 1 1 74 74 GLY C C 13 180.13 . . . . . . . . . . . 5663 1 713 . 1 1 74 74 GLY CA C 13 47.18 . . . . . . . . . . . 5663 1 714 . 1 1 75 75 LEU HA H 1 4.31 . . . . . . . . . . . 5663 1 715 . 1 1 75 75 LEU HB2 H 1 2.23 . . . . . . . . . . . 5663 1 716 . 1 1 75 75 LEU HB3 H 1 1.49 . . . . . . . . . . . 5663 1 717 . 1 1 75 75 LEU H H 1 7.79 . . . . . . . . . . . 5663 1 718 . 1 1 75 75 LEU N N 15 121.71 . . . . . . . . . . . 5663 1 719 . 1 1 75 75 LEU C C 13 176.76 . . . . . . . . . . . 5663 1 720 . 1 1 75 75 LEU CA C 13 57.1 . . . . . . . . . . . 5663 1 721 . 1 1 75 75 LEU CB C 13 42.04 . . . . . . . . . . . 5663 1 722 . 1 1 75 75 LEU HG H 1 2.03 . . . . . . . . . . . 5663 1 723 . 1 1 75 75 LEU HD11 H 1 1.05 . . . . . . . . . . . 5663 1 724 . 1 1 75 75 LEU HD12 H 1 1.05 . . . . . . . . . . . 5663 1 725 . 1 1 75 75 LEU HD13 H 1 1.05 . . . . . . . . . . . 5663 1 726 . 1 1 76 76 LEU HA H 1 4.82 . . . . . . . . . . . 5663 1 727 . 1 1 76 76 LEU HB2 H 1 2.09 . . . . . . . . . . . 5663 1 728 . 1 1 76 76 LEU HB3 H 1 1.76 . . . . . . . . . . . 5663 1 729 . 1 1 76 76 LEU H H 1 7.44 . . . . . . . . . . . 5663 1 730 . 1 1 76 76 LEU N N 15 116.8 . . . . . . . . . . . 5663 1 731 . 1 1 76 76 LEU C C 13 178.84 . . . . . . . . . . . 5663 1 732 . 1 1 76 76 LEU CA C 13 53.84 . . . . . . . . . . . 5663 1 733 . 1 1 76 76 LEU CB C 13 41.31 . . . . . . . . . . . 5663 1 734 . 1 1 76 76 LEU HG H 1 2.05 . . . . . . . . . . . 5663 1 735 . 1 1 76 76 LEU HD11 H 1 0.91 . . . . . . . . . . . 5663 1 736 . 1 1 76 76 LEU HD12 H 1 0.91 . . . . . . . . . . . 5663 1 737 . 1 1 76 76 LEU HD13 H 1 0.91 . . . . . . . . . . . 5663 1 738 . 1 1 76 76 LEU HD21 H 1 0.89 . . . . . . . . . . . 5663 1 739 . 1 1 76 76 LEU HD22 H 1 0.89 . . . . . . . . . . . 5663 1 740 . 1 1 76 76 LEU HD23 H 1 0.89 . . . . . . . . . . . 5663 1 741 . 1 1 77 77 LYS HA H 1 4.15 . . . . . . . . . . . 5663 1 742 . 1 1 77 77 LYS HB2 H 1 2.05 . . . . . . . . . . . 5663 1 743 . 1 1 77 77 LYS HB3 H 1 2.07 . . . . . . . . . . . 5663 1 744 . 1 1 77 77 LYS H H 1 7.28 . . . . . . . . . . . 5663 1 745 . 1 1 77 77 LYS N N 15 121.39 . . . . . . . . . . . 5663 1 746 . 1 1 77 77 LYS C C 13 178.49 . . . . . . . . . . . 5663 1 747 . 1 1 77 77 LYS CA C 13 59.47 . . . . . . . . . . . 5663 1 748 . 1 1 77 77 LYS CB C 13 30.69 . . . . . . . . . . . 5663 1 749 . 1 1 77 77 LYS HE2 H 1 3.17 . . . . . . . . . . . 5663 1 750 . 1 1 77 77 LYS HE3 H 1 3.18 . . . . . . . . . . . 5663 1 751 . 1 1 78 78 SER HA H 1 4.55 . . . . . . . . . . . 5663 1 752 . 1 1 78 78 SER HB2 H 1 4.16 . . . . . . . . . . . 5663 1 753 . 1 1 78 78 SER HB3 H 1 4.0 . . . . . . . . . . . 5663 1 754 . 1 1 78 78 SER H H 1 8.42 . . . . . . . . . . . 5663 1 755 . 1 1 78 78 SER N N 15 111.63 . . . . . . . . . . . 5663 1 756 . 1 1 78 78 SER C C 13 177.59 . . . . . . . . . . . 5663 1 757 . 1 1 78 78 SER CA C 13 57.82 . . . . . . . . . . . 5663 1 758 . 1 1 78 78 SER CB C 13 65.52 . . . . . . . . . . . 5663 1 759 . 1 1 79 79 CYS HA H 1 3.73 . . . . . . . . . . . 5663 1 760 . 1 1 79 79 CYS HB2 H 1 3.13 . . . . . . . . . . . 5663 1 761 . 1 1 79 79 CYS HB3 H 1 2.61 . . . . . . . . . . . 5663 1 762 . 1 1 79 79 CYS H H 1 8.12 . . . . . . . . . . . 5663 1 763 . 1 1 79 79 CYS N N 15 124.3 . . . . . . . . . . . 5663 1 764 . 1 1 79 79 CYS C C 13 174.24 . . . . . . . . . . . 5663 1 765 . 1 1 79 79 CYS CA C 13 61.02 . . . . . . . . . . . 5663 1 766 . 1 1 79 79 CYS CB C 13 25.46 . . . . . . . . . . . 5663 1 767 . 1 1 80 80 THR HA H 1 4.43 . . . . . . . . . . . 5663 1 768 . 1 1 80 80 THR H H 1 8.91 . . . . . . . . . . . 5663 1 769 . 1 1 80 80 THR N N 15 120.12 . . . . . . . . . . . 5663 1 770 . 1 1 80 80 THR C C 13 175.73 . . . . . . . . . . . 5663 1 771 . 1 1 80 80 THR CA C 13 62.5 . . . . . . . . . . . 5663 1 772 . 1 1 80 80 THR CB C 13 68.52 . . . . . . . . . . . 5663 1 773 . 1 1 80 80 THR HG21 H 1 1.16 . . . . . . . . . . . 5663 1 774 . 1 1 80 80 THR HG22 H 1 1.16 . . . . . . . . . . . 5663 1 775 . 1 1 80 80 THR HG23 H 1 1.16 . . . . . . . . . . . 5663 1 776 . 1 1 81 81 ASN HA H 1 5.23 . . . . . . . . . . . 5663 1 777 . 1 1 81 81 ASN HB2 H 1 2.32 . . . . . . . . . . . 5663 1 778 . 1 1 81 81 ASN HB3 H 1 2.73 . . . . . . . . . . . 5663 1 779 . 1 1 81 81 ASN H H 1 7.76 . . . . . . . . . . . 5663 1 780 . 1 1 81 81 ASN N N 15 122.38 . . . . . . . . . . . 5663 1 781 . 1 1 81 81 ASN C C 13 174.27 . . . . . . . . . . . 5663 1 782 . 1 1 81 81 ASN CA C 13 51.51 . . . . . . . . . . . 5663 1 783 . 1 1 81 81 ASN CB C 13 39.63 . . . . . . . . . . . 5663 1 784 . 1 1 81 81 ASN ND2 N 15 116.5 . . . . . . . . . . . 5663 1 785 . 1 1 82 82 PRO HA H 1 4.51 . . . . . . . . . . . 5663 1 786 . 1 1 82 82 PRO HB2 H 1 2.55 . . . . . . . . . . . 5663 1 787 . 1 1 82 82 PRO HB3 H 1 2.02 . . . . . . . . . . . 5663 1 788 . 1 1 82 82 PRO CA C 13 63.95 . . . . . . . . . . . 5663 1 789 . 1 1 82 82 PRO CB C 13 31.98 . . . . . . . . . . . 5663 1 790 . 1 1 82 82 PRO HG2 H 1 2.07 . . . . . . . . . . . 5663 1 791 . 1 1 82 82 PRO HG3 H 1 2.19 . . . . . . . . . . . 5663 1 792 . 1 1 82 82 PRO HD2 H 1 3.67 . . . . . . . . . . . 5663 1 793 . 1 1 82 82 PRO HD3 H 1 3.94 . . . . . . . . . . . 5663 1 794 . 1 1 83 83 THR HA H 1 4.46 . . . . . . . . . . . 5663 1 795 . 1 1 83 83 THR HB H 1 4.58 . . . . . . . . . . . 5663 1 796 . 1 1 83 83 THR H H 1 8.48 . . . . . . . . . . . 5663 1 797 . 1 1 83 83 THR N N 15 112.38 . . . . . . . . . . . 5663 1 798 . 1 1 83 83 THR C C 13 178.79 . . . . . . . . . . . 5663 1 799 . 1 1 83 83 THR CA C 13 61.85 . . . . . . . . . . . 5663 1 800 . 1 1 83 83 THR CB C 13 63.63 . . . . . . . . . . . 5663 1 801 . 1 1 83 83 THR HG21 H 1 1.35 . . . . . . . . . . . 5663 1 802 . 1 1 83 83 THR HG22 H 1 1.35 . . . . . . . . . . . 5663 1 803 . 1 1 83 83 THR HG23 H 1 1.35 . . . . . . . . . . . 5663 1 804 . 1 1 84 84 GLU HA H 1 3.98 . . . . . . . . . . . 5663 1 805 . 1 1 84 84 GLU HB2 H 1 2.02 . . . . . . . . . . . 5663 1 806 . 1 1 84 84 GLU HB3 H 1 2.15 . . . . . . . . . . . 5663 1 807 . 1 1 84 84 GLU H H 1 8.6 . . . . . . . . . . . 5663 1 808 . 1 1 84 84 GLU N N 15 123.89 . . . . . . . . . . . 5663 1 809 . 1 1 84 84 GLU C C 13 175.67 . . . . . . . . . . . 5663 1 810 . 1 1 84 84 GLU CA C 13 61.24 . . . . . . . . . . . 5663 1 811 . 1 1 84 84 GLU CB C 13 26.97 . . . . . . . . . . . 5663 1 812 . 1 1 84 84 GLU HG2 H 1 2.4 . . . . . . . . . . . 5663 1 813 . 1 1 84 84 GLU HG3 H 1 2.35 . . . . . . . . . . . 5663 1 814 . 1 1 85 85 ASN HA H 1 4.52 . . . . . . . . . . . 5663 1 815 . 1 1 85 85 ASN HB2 H 1 2.86 . . . . . . . . . . . 5663 1 816 . 1 1 85 85 ASN H H 1 8.76 . . . . . . . . . . . 5663 1 817 . 1 1 85 85 ASN N N 15 117.47 . . . . . . . . . . . 5663 1 818 . 1 1 85 85 ASN C C 13 178.65 . . . . . . . . . . . 5663 1 819 . 1 1 85 85 ASN CA C 13 56.68 . . . . . . . . . . . 5663 1 820 . 1 1 85 85 ASN CB C 13 36.94 . . . . . . . . . . . 5663 1 821 . 1 1 85 85 ASN ND2 N 15 112.85 . . . . . . . . . . . 5663 1 822 . 1 1 86 86 PHE HA H 1 4.51 . . . . . . . . . . . 5663 1 823 . 1 1 86 86 PHE HB2 H 1 3.35 . . . . . . . . . . . 5663 1 824 . 1 1 86 86 PHE HB3 H 1 3.05 . . . . . . . . . . . 5663 1 825 . 1 1 86 86 PHE H H 1 8.06 . . . . . . . . . . . 5663 1 826 . 1 1 86 86 PHE N N 15 121.47 . . . . . . . . . . . 5663 1 827 . 1 1 86 86 PHE C C 13 174.4 . . . . . . . . . . . 5663 1 828 . 1 1 86 86 PHE CA C 13 61.14 . . . . . . . . . . . 5663 1 829 . 1 1 86 86 PHE CB C 13 37.42 . . . . . . . . . . . 5663 1 830 . 1 1 86 86 PHE HZ H 1 7.0 . . . . . . . . . . . 5663 1 831 . 1 1 86 86 PHE HD1 H 1 6.96 . . . . . . . . . . . 5663 1 832 . 1 1 86 86 PHE HE1 H 1 6.85 . . . . . . . . . . . 5663 1 833 . 1 1 87 87 VAL HA H 1 3.12 . . . . . . . . . . . 5663 1 834 . 1 1 87 87 VAL HB H 1 2.19 . . . . . . . . . . . 5663 1 835 . 1 1 87 87 VAL H H 1 8.4 . . . . . . . . . . . 5663 1 836 . 1 1 87 87 VAL N N 15 118.16 . . . . . . . . . . . 5663 1 837 . 1 1 87 87 VAL C C 13 176.08 . . . . . . . . . . . 5663 1 838 . 1 1 87 87 VAL CA C 13 61.09 . . . . . . . . . . . 5663 1 839 . 1 1 87 87 VAL CB C 13 30.52 . . . . . . . . . . . 5663 1 840 . 1 1 87 87 VAL HG11 H 1 1.12 . . . . . . . . . . . 5663 1 841 . 1 1 87 87 VAL HG12 H 1 1.12 . . . . . . . . . . . 5663 1 842 . 1 1 87 87 VAL HG13 H 1 1.12 . . . . . . . . . . . 5663 1 843 . 1 1 87 87 VAL HG21 H 1 0.93 . . . . . . . . . . . 5663 1 844 . 1 1 87 87 VAL HG22 H 1 0.93 . . . . . . . . . . . 5663 1 845 . 1 1 87 87 VAL HG23 H 1 0.93 . . . . . . . . . . . 5663 1 846 . 1 1 88 88 GLN HA H 1 3.92 . . . . . . . . . . . 5663 1 847 . 1 1 88 88 GLN HB2 H 1 2.15 . . . . . . . . . . . 5663 1 848 . 1 1 88 88 GLN H H 1 7.93 . . . . . . . . . . . 5663 1 849 . 1 1 88 88 GLN N N 15 115.56 . . . . . . . . . . . 5663 1 850 . 1 1 88 88 GLN C C 13 177.35 . . . . . . . . . . . 5663 1 851 . 1 1 88 88 GLN CA C 13 59.04 . . . . . . . . . . . 5663 1 852 . 1 1 88 88 GLN CB C 13 26.32 . . . . . . . . . . . 5663 1 853 . 1 1 88 88 GLN NE2 N 15 112.42 . . . . . . . . . . . 5663 1 854 . 1 1 88 88 GLN HG2 H 1 2.51 . . . . . . . . . . . 5663 1 855 . 1 1 89 89 GLU HA H 1 3.94 . . . . . . . . . . . 5663 1 856 . 1 1 89 89 GLU HB2 H 1 2.42 . . . . . . . . . . . 5663 1 857 . 1 1 89 89 GLU HB3 H 1 2.06 . . . . . . . . . . . 5663 1 858 . 1 1 89 89 GLU H H 1 8.35 . . . . . . . . . . . 5663 1 859 . 1 1 89 89 GLU N N 15 118.55 . . . . . . . . . . . 5663 1 860 . 1 1 89 89 GLU C C 13 179.9 . . . . . . . . . . . 5663 1 861 . 1 1 89 89 GLU CA C 13 60.74 . . . . . . . . . . . 5663 1 862 . 1 1 89 89 GLU CB C 13 28.28 . . . . . . . . . . . 5663 1 863 . 1 1 89 89 GLU HG3 H 1 2.13 . . . . . . . . . . . 5663 1 864 . 1 1 90 90 LEU HA H 1 3.87 . . . . . . . . . . . 5663 1 865 . 1 1 90 90 LEU HB2 H 1 1.84 . . . . . . . . . . . 5663 1 866 . 1 1 90 90 LEU HB3 H 1 1.19 . . . . . . . . . . . 5663 1 867 . 1 1 90 90 LEU H H 1 8.84 . . . . . . . . . . . 5663 1 868 . 1 1 90 90 LEU N N 15 122.31 . . . . . . . . . . . 5663 1 869 . 1 1 90 90 LEU C C 13 179.33 . . . . . . . . . . . 5663 1 870 . 1 1 90 90 LEU CA C 13 57.74 . . . . . . . . . . . 5663 1 871 . 1 1 90 90 LEU CB C 13 39.18 . . . . . . . . . . . 5663 1 872 . 1 1 90 90 LEU HG H 1 1.37 . . . . . . . . . . . 5663 1 873 . 1 1 90 90 LEU HD11 H 1 0.98 . . . . . . . . . . . 5663 1 874 . 1 1 90 90 LEU HD12 H 1 0.98 . . . . . . . . . . . 5663 1 875 . 1 1 90 90 LEU HD13 H 1 0.98 . . . . . . . . . . . 5663 1 876 . 1 1 90 90 LEU HD21 H 1 0.79 . . . . . . . . . . . 5663 1 877 . 1 1 90 90 LEU HD22 H 1 0.79 . . . . . . . . . . . 5663 1 878 . 1 1 90 90 LEU HD23 H 1 0.79 . . . . . . . . . . . 5663 1 879 . 1 1 91 91 LEU HA H 1 3.85 . . . . . . . . . . . 5663 1 880 . 1 1 91 91 LEU HB2 H 1 1.99 . . . . . . . . . . . 5663 1 881 . 1 1 91 91 LEU HB3 H 1 1.46 . . . . . . . . . . . 5663 1 882 . 1 1 91 91 LEU H H 1 8.33 . . . . . . . . . . . 5663 1 883 . 1 1 91 91 LEU N N 15 118.76 . . . . . . . . . . . 5663 1 884 . 1 1 91 91 LEU C C 13 178.29 . . . . . . . . . . . 5663 1 885 . 1 1 91 91 LEU CA C 13 58.8 . . . . . . . . . . . 5663 1 886 . 1 1 91 91 LEU CB C 13 39.91 . . . . . . . . . . . 5663 1 887 . 1 1 91 91 LEU HG H 1 1.95 . . . . . . . . . . . 5663 1 888 . 1 1 91 91 LEU HD11 H 1 0.74 . . . . . . . . . . . 5663 1 889 . 1 1 91 91 LEU HD12 H 1 0.74 . . . . . . . . . . . 5663 1 890 . 1 1 91 91 LEU HD13 H 1 0.74 . . . . . . . . . . . 5663 1 891 . 1 1 91 91 LEU HD21 H 1 0.82 . . . . . . . . . . . 5663 1 892 . 1 1 91 91 LEU HD22 H 1 0.82 . . . . . . . . . . . 5663 1 893 . 1 1 91 91 LEU HD23 H 1 0.82 . . . . . . . . . . . 5663 1 894 . 1 1 92 92 VAL HA H 1 3.42 . . . . . . . . . . . 5663 1 895 . 1 1 92 92 VAL HB H 1 2.07 . . . . . . . . . . . 5663 1 896 . 1 1 92 92 VAL H H 1 7.34 . . . . . . . . . . . 5663 1 897 . 1 1 92 92 VAL N N 15 118.35 . . . . . . . . . . . 5663 1 898 . 1 1 92 92 VAL C C 13 180.7 . . . . . . . . . . . 5663 1 899 . 1 1 92 92 VAL CA C 13 66.88 . . . . . . . . . . . 5663 1 900 . 1 1 92 92 VAL CB C 13 29.88 . . . . . . . . . . . 5663 1 901 . 1 1 92 92 VAL HG11 H 1 1.03 . . . . . . . . . . . 5663 1 902 . 1 1 92 92 VAL HG12 H 1 1.03 . . . . . . . . . . . 5663 1 903 . 1 1 92 92 VAL HG13 H 1 1.03 . . . . . . . . . . . 5663 1 904 . 1 1 92 92 VAL HG21 H 1 0.83 . . . . . . . . . . . 5663 1 905 . 1 1 92 92 VAL HG22 H 1 0.83 . . . . . . . . . . . 5663 1 906 . 1 1 92 92 VAL HG23 H 1 0.83 . . . . . . . . . . . 5663 1 907 . 1 1 93 93 LYS HA H 1 3.83 . . . . . . . . . . . 5663 1 908 . 1 1 93 93 LYS HB2 H 1 1.72 . . . . . . . . . . . 5663 1 909 . 1 1 93 93 LYS HB3 H 1 1.63 . . . . . . . . . . . 5663 1 910 . 1 1 93 93 LYS H H 1 7.88 . . . . . . . . . . . 5663 1 911 . 1 1 93 93 LYS N N 15 121.08 . . . . . . . . . . . 5663 1 912 . 1 1 93 93 LYS C C 13 179.51 . . . . . . . . . . . 5663 1 913 . 1 1 93 93 LYS CA C 13 58.62 . . . . . . . . . . . 5663 1 914 . 1 1 93 93 LYS CB C 13 31.1 . . . . . . . . . . . 5663 1 915 . 1 1 93 93 LYS HG2 H 1 1.04 . . . . . . . . . . . 5663 1 916 . 1 1 93 93 LYS HG3 H 1 0.28 . . . . . . . . . . . 5663 1 917 . 1 1 93 93 LYS HD2 H 1 0.94 . . . . . . . . . . . 5663 1 918 . 1 1 94 94 LEU HA H 1 3.93 . . . . . . . . . . . 5663 1 919 . 1 1 94 94 LEU HB2 H 1 1.91 . . . . . . . . . . . 5663 1 920 . 1 1 94 94 LEU HB3 H 1 1.33 . . . . . . . . . . . 5663 1 921 . 1 1 94 94 LEU H H 1 8.52 . . . . . . . . . . . 5663 1 922 . 1 1 94 94 LEU N N 15 117.46 . . . . . . . . . . . 5663 1 923 . 1 1 94 94 LEU C C 13 180.38 . . . . . . . . . . . 5663 1 924 . 1 1 94 94 LEU CA C 13 57.41 . . . . . . . . . . . 5663 1 925 . 1 1 94 94 LEU CB C 13 40.72 . . . . . . . . . . . 5663 1 926 . 1 1 94 94 LEU HG H 1 1.98 . . . . . . . . . . . 5663 1 927 . 1 1 94 94 LEU HD11 H 1 0.78 . . . . . . . . . . . 5663 1 928 . 1 1 94 94 LEU HD12 H 1 0.78 . . . . . . . . . . . 5663 1 929 . 1 1 94 94 LEU HD13 H 1 0.78 . . . . . . . . . . . 5663 1 930 . 1 1 95 95 ARG HA H 1 4.79 . . . . . . . . . . . 5663 1 931 . 1 1 95 95 ARG HB2 H 1 1.73 . . . . . . . . . . . 5663 1 932 . 1 1 95 95 ARG H H 1 7.44 . . . . . . . . . . . 5663 1 933 . 1 1 95 95 ARG N N 15 117.56 . . . . . . . . . . . 5663 1 934 . 1 1 95 95 ARG C C 13 179.05 . . . . . . . . . . . 5663 1 935 . 1 1 95 95 ARG CA C 13 58.32 . . . . . . . . . . . 5663 1 936 . 1 1 95 95 ARG CB C 13 28.08 . . . . . . . . . . . 5663 1 937 . 1 1 96 96 GLY HA2 H 1 3.97 . . . . . . . . . . . 5663 1 938 . 1 1 96 96 GLY HA3 H 1 4.22 . . . . . . . . . . . 5663 1 939 . 1 1 96 96 GLY H H 1 7.47 . . . . . . . . . . . 5663 1 940 . 1 1 96 96 GLY N N 15 104.31 . . . . . . . . . . . 5663 1 941 . 1 1 96 96 GLY C C 13 177.85 . . . . . . . . . . . 5663 1 942 . 1 1 96 96 GLY CA C 13 45.15 . . . . . . . . . . . 5663 1 943 . 1 1 97 97 LEU HA H 1 4.5 . . . . . . . . . . . 5663 1 944 . 1 1 97 97 LEU HB2 H 1 1.93 . . . . . . . . . . . 5663 1 945 . 1 1 97 97 LEU HB3 H 1 1.55 . . . . . . . . . . . 5663 1 946 . 1 1 97 97 LEU H H 1 7.26 . . . . . . . . . . . 5663 1 947 . 1 1 97 97 LEU N N 15 119.83 . . . . . . . . . . . 5663 1 948 . 1 1 97 97 LEU C C 13 173.91 . . . . . . . . . . . 5663 1 949 . 1 1 97 97 LEU CA C 13 54.1 . . . . . . . . . . . 5663 1 950 . 1 1 97 97 LEU CB C 13 42.26 . . . . . . . . . . . 5663 1 951 . 1 1 97 97 LEU HG H 1 1.86 . . . . . . . . . . . 5663 1 952 . 1 1 97 97 LEU HD11 H 1 0.89 . . . . . . . . . . . 5663 1 953 . 1 1 97 97 LEU HD12 H 1 0.89 . . . . . . . . . . . 5663 1 954 . 1 1 97 97 LEU HD13 H 1 0.89 . . . . . . . . . . . 5663 1 955 . 1 1 97 97 LEU HD21 H 1 0.75 . . . . . . . . . . . 5663 1 956 . 1 1 97 97 LEU HD22 H 1 0.75 . . . . . . . . . . . 5663 1 957 . 1 1 97 97 LEU HD23 H 1 0.75 . . . . . . . . . . . 5663 1 958 . 1 1 98 98 HIS HA H 1 4.62 . . . . . . . . . . . 5663 1 959 . 1 1 98 98 HIS HB2 H 1 3.08 . . . . . . . . . . . 5663 1 960 . 1 1 98 98 HIS HB3 H 1 3.17 . . . . . . . . . . . 5663 1 961 . 1 1 98 98 HIS H H 1 8.58 . . . . . . . . . . . 5663 1 962 . 1 1 98 98 HIS N N 15 118.74 . . . . . . . . . . . 5663 1 963 . 1 1 98 98 HIS C C 13 176.06 . . . . . . . . . . . 5663 1 964 . 1 1 98 98 HIS CA C 13 55.5 . . . . . . . . . . . 5663 1 965 . 1 1 98 98 HIS CB C 13 28.44 . . . . . . . . . . . 5663 1 966 . 1 1 99 99 LYS HA H 1 4.08 . . . . . . . . . . . 5663 1 967 . 1 1 99 99 LYS HB2 H 1 1.72 . . . . . . . . . . . 5663 1 968 . 1 1 99 99 LYS H H 1 8.18 . . . . . . . . . . . 5663 1 969 . 1 1 99 99 LYS N N 15 128.38 . . . . . . . . . . . 5663 1 970 . 1 1 99 99 LYS C C 13 173.9 . . . . . . . . . . . 5663 1 971 . 1 1 99 99 LYS CA C 13 58.26 . . . . . . . . . . . 5663 1 972 . 1 1 99 99 LYS CB C 13 31.63 . . . . . . . . . . . 5663 1 973 . 1 1 99 99 LYS HG2 H 1 1.38 . . . . . . . . . . . 5663 1 974 . 1 1 99 99 LYS HG3 H 1 1.65 . . . . . . . . . . . 5663 1 975 . 1 1 99 99 LYS HD2 H 1 0.81 . . . . . . . . . . . 5663 1 976 . 1 1 99 99 LYS HE2 H 1 2.98 . . . . . . . . . . . 5663 1 stop_ save_