data_27305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27305 _Entry.Title ; Chemical Shift Assignments of Retinal Degeneration 3 Protein (RD3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-07 _Entry.Accession_date 2017-11-07 _Entry.Last_release_date 2017-11-07 _Entry.Original_release_date 2017-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 James Ames . B. . . 27305 2 Sunghyuk Lim . . . . 27305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 27305 '15N chemical shifts' 142 27305 '1H chemical shifts' 909 27305 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2018-06-06 2017-11-07 update author 'update assignment, etc.' 27305 2 . . 2018-05-25 2017-11-07 update BMRB 'update entry citation' 27305 1 . . 2018-01-22 2017-11-07 original author 'original release' 27305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29327102 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments of retinal degeneration 3 protein (RD3) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167 _Citation.Page_last 170 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sunghyuk Lim . . . . 27305 1 2 Diana Cudia . . . . 27305 1 3 Igor Peshenko . . . . 27305 1 4 Alexander Dizhoor . M. . . 27305 1 5 James Ames . B. . . 27305 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GCAP 27305 1 RD3 27305 1 RetGC 27305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27305 _Assembly.ID 1 _Assembly.Name 'RD3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'a single polypeptide chain' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RD3 monomer' 1 $RD3 A . yes native no no . . . 27305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RD3 _Entity.Sf_category entity _Entity.Sf_framecode RD3 _Entity.Entry_ID 27305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RD3 _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 ; ARSPAEMVLETLMMELTGQM REAERQQRERSNAVRKVCTG VDYSWLASTPDSTYDLSPIE RLQLEDVCVKIHPSYCGPAI LRFRQLLAEQEPEVQEVSQL FRSVLQEVLERMKQEEEAHK LTRQWSLRPRGSLATFETEA EID ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 18 ALA . 27305 1 2 19 ARG . 27305 1 3 20 SER . 27305 1 4 21 PRO . 27305 1 5 22 ALA . 27305 1 6 23 GLU . 27305 1 7 24 MET . 27305 1 8 25 VAL . 27305 1 9 26 LEU . 27305 1 10 27 GLU . 27305 1 11 28 THR . 27305 1 12 29 LEU . 27305 1 13 30 MET . 27305 1 14 31 MET . 27305 1 15 32 GLU . 27305 1 16 33 LEU . 27305 1 17 34 THR . 27305 1 18 35 GLY . 27305 1 19 36 GLN . 27305 1 20 37 MET . 27305 1 21 38 ARG . 27305 1 22 39 GLU . 27305 1 23 40 ALA . 27305 1 24 41 GLU . 27305 1 25 42 ARG . 27305 1 26 43 GLN . 27305 1 27 44 GLN . 27305 1 28 45 ARG . 27305 1 29 46 GLU . 27305 1 30 47 ARG . 27305 1 31 48 SER . 27305 1 32 49 ASN . 27305 1 33 50 ALA . 27305 1 34 51 VAL . 27305 1 35 52 ARG . 27305 1 36 53 LYS . 27305 1 37 54 VAL . 27305 1 38 55 CYS . 27305 1 39 56 THR . 27305 1 40 57 GLY . 27305 1 41 58 VAL . 27305 1 42 59 ASP . 27305 1 43 60 TYR . 27305 1 44 61 SER . 27305 1 45 62 TRP . 27305 1 46 63 LEU . 27305 1 47 64 ALA . 27305 1 48 65 SER . 27305 1 49 66 THR . 27305 1 50 67 PRO . 27305 1 51 68 ASP . 27305 1 52 69 SER . 27305 1 53 70 THR . 27305 1 54 71 TYR . 27305 1 55 72 ASP . 27305 1 56 73 LEU . 27305 1 57 74 SER . 27305 1 58 75 PRO . 27305 1 59 76 ILE . 27305 1 60 77 GLU . 27305 1 61 78 ARG . 27305 1 62 79 LEU . 27305 1 63 80 GLN . 27305 1 64 81 LEU . 27305 1 65 82 GLU . 27305 1 66 83 ASP . 27305 1 67 84 VAL . 27305 1 68 85 CYS . 27305 1 69 86 VAL . 27305 1 70 87 LYS . 27305 1 71 88 ILE . 27305 1 72 89 HIS . 27305 1 73 90 PRO . 27305 1 74 91 SER . 27305 1 75 92 TYR . 27305 1 76 93 CYS . 27305 1 77 94 GLY . 27305 1 78 95 PRO . 27305 1 79 96 ALA . 27305 1 80 97 ILE . 27305 1 81 98 LEU . 27305 1 82 99 ARG . 27305 1 83 100 PHE . 27305 1 84 101 ARG . 27305 1 85 102 GLN . 27305 1 86 103 LEU . 27305 1 87 104 LEU . 27305 1 88 105 ALA . 27305 1 89 106 GLU . 27305 1 90 107 GLN . 27305 1 91 108 GLU . 27305 1 92 109 PRO . 27305 1 93 110 GLU . 27305 1 94 111 VAL . 27305 1 95 112 GLN . 27305 1 96 113 GLU . 27305 1 97 114 VAL . 27305 1 98 115 SER . 27305 1 99 116 GLN . 27305 1 100 117 LEU . 27305 1 101 118 PHE . 27305 1 102 119 ARG . 27305 1 103 120 SER . 27305 1 104 121 VAL . 27305 1 105 122 LEU . 27305 1 106 123 GLN . 27305 1 107 124 GLU . 27305 1 108 125 VAL . 27305 1 109 126 LEU . 27305 1 110 127 GLU . 27305 1 111 128 ARG . 27305 1 112 129 MET . 27305 1 113 130 LYS . 27305 1 114 131 GLN . 27305 1 115 132 GLU . 27305 1 116 133 GLU . 27305 1 117 134 GLU . 27305 1 118 135 ALA . 27305 1 119 136 HIS . 27305 1 120 137 LYS . 27305 1 121 138 LEU . 27305 1 122 139 THR . 27305 1 123 140 ARG . 27305 1 124 141 GLN . 27305 1 125 142 TRP . 27305 1 126 143 SER . 27305 1 127 144 LEU . 27305 1 128 145 ARG . 27305 1 129 146 PRO . 27305 1 130 147 ARG . 27305 1 131 148 GLY . 27305 1 132 149 SER . 27305 1 133 150 LEU . 27305 1 134 151 ALA . 27305 1 135 152 THR . 27305 1 136 153 PHE . 27305 1 137 154 GLU . 27305 1 138 155 THR . 27305 1 139 156 GLU . 27305 1 140 157 ALA . 27305 1 141 158 GLU . 27305 1 142 159 ILE . 27305 1 143 160 ASP . 27305 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 . ALA 1 1 27305 1 . ARG 2 2 27305 1 . SER 3 3 27305 1 . PRO 4 4 27305 1 . ALA 5 5 27305 1 . GLU 6 6 27305 1 . MET 7 7 27305 1 . VAL 8 8 27305 1 . LEU 9 9 27305 1 . GLU 10 10 27305 1 . THR 11 11 27305 1 . LEU 12 12 27305 1 . MET 13 13 27305 1 . MET 14 14 27305 1 . GLU 15 15 27305 1 . LEU 16 16 27305 1 . THR 17 17 27305 1 . GLY 18 18 27305 1 . GLN 19 19 27305 1 . MET 20 20 27305 1 . ARG 21 21 27305 1 . GLU 22 22 27305 1 . ALA 23 23 27305 1 . GLU 24 24 27305 1 . ARG 25 25 27305 1 . GLN 26 26 27305 1 . GLN 27 27 27305 1 . ARG 28 28 27305 1 . GLU 29 29 27305 1 . ARG 30 30 27305 1 . SER 31 31 27305 1 . ASN 32 32 27305 1 . ALA 33 33 27305 1 . VAL 34 34 27305 1 . ARG 35 35 27305 1 . LYS 36 36 27305 1 . VAL 37 37 27305 1 . CYS 38 38 27305 1 . THR 39 39 27305 1 . GLY 40 40 27305 1 . VAL 41 41 27305 1 . ASP 42 42 27305 1 . TYR 43 43 27305 1 . SER 44 44 27305 1 . TRP 45 45 27305 1 . LEU 46 46 27305 1 . ALA 47 47 27305 1 . SER 48 48 27305 1 . THR 49 49 27305 1 . PRO 50 50 27305 1 . ASP 51 51 27305 1 . SER 52 52 27305 1 . THR 53 53 27305 1 . TYR 54 54 27305 1 . ASP 55 55 27305 1 . LEU 56 56 27305 1 . SER 57 57 27305 1 . PRO 58 58 27305 1 . ILE 59 59 27305 1 . GLU 60 60 27305 1 . ARG 61 61 27305 1 . LEU 62 62 27305 1 . GLN 63 63 27305 1 . LEU 64 64 27305 1 . GLU 65 65 27305 1 . ASP 66 66 27305 1 . VAL 67 67 27305 1 . CYS 68 68 27305 1 . VAL 69 69 27305 1 . LYS 70 70 27305 1 . ILE 71 71 27305 1 . HIS 72 72 27305 1 . PRO 73 73 27305 1 . SER 74 74 27305 1 . TYR 75 75 27305 1 . CYS 76 76 27305 1 . GLY 77 77 27305 1 . PRO 78 78 27305 1 . ALA 79 79 27305 1 . ILE 80 80 27305 1 . LEU 81 81 27305 1 . ARG 82 82 27305 1 . PHE 83 83 27305 1 . ARG 84 84 27305 1 . GLN 85 85 27305 1 . LEU 86 86 27305 1 . LEU 87 87 27305 1 . ALA 88 88 27305 1 . GLU 89 89 27305 1 . GLN 90 90 27305 1 . GLU 91 91 27305 1 . PRO 92 92 27305 1 . GLU 93 93 27305 1 . VAL 94 94 27305 1 . GLN 95 95 27305 1 . GLU 96 96 27305 1 . VAL 97 97 27305 1 . SER 98 98 27305 1 . GLN 99 99 27305 1 . LEU 100 100 27305 1 . PHE 101 101 27305 1 . ARG 102 102 27305 1 . SER 103 103 27305 1 . VAL 104 104 27305 1 . LEU 105 105 27305 1 . GLN 106 106 27305 1 . GLU 107 107 27305 1 . VAL 108 108 27305 1 . LEU 109 109 27305 1 . GLU 110 110 27305 1 . ARG 111 111 27305 1 . MET 112 112 27305 1 . LYS 113 113 27305 1 . GLN 114 114 27305 1 . GLU 115 115 27305 1 . GLU 116 116 27305 1 . GLU 117 117 27305 1 . ALA 118 118 27305 1 . HIS 119 119 27305 1 . LYS 120 120 27305 1 . LEU 121 121 27305 1 . THR 122 122 27305 1 . ARG 123 123 27305 1 . GLN 124 124 27305 1 . TRP 125 125 27305 1 . SER 126 126 27305 1 . LEU 127 127 27305 1 . ARG 128 128 27305 1 . PRO 129 129 27305 1 . ARG 130 130 27305 1 . GLY 131 131 27305 1 . SER 132 132 27305 1 . LEU 133 133 27305 1 . ALA 134 134 27305 1 . THR 135 135 27305 1 . PHE 136 136 27305 1 . GLU 137 137 27305 1 . THR 138 138 27305 1 . GLU 139 139 27305 1 . ALA 140 140 27305 1 . GLU 141 141 27305 1 . ILE 142 142 27305 1 . ASP 143 143 27305 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 27305 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RD3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27305 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 27305 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RD3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-11d . . . 27305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27305 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . . . . . 5 . . mM . . . . 27305 2 2 DTT '[U-99% 2H]' . . . . . . 3 . . mM . . . . 27305 2 3 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 27305 2 4 EDTA '[U-99% 2H]' . . . . . . 50 . . uM . . . . 27305 2 5 RD3 '[U-99% 13C; U-99% 15N]' . . 1 $RD3 . . 0.9 . . mM . . . . 27305 2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27305 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS '[U-99% 2H]' . . . . . . 5 . . mM . . . . 27305 1 2 DTT '[U-99% 2H]' . . . . . . 3 . . mM . . . . 27305 1 3 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 27305 1 4 EDTA '[U-99% 2H]' . . . . . . 50 . . uM . . . . 27305 1 5 RD3 '[U-99% 15N]' . . 1 $RD3 . . 0.9 . . mM . . . . 27305 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27305 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 4 . mM 27305 1 pH 7.4 . pH 27305 1 pressure 1 . atm 27305 1 temperature 273 . K 27305 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27305 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27305 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27305 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27305 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27305 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27305 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27305 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 27305 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 12 '3D H(CC)(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 13 '3D (H)CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27305 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27305 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 internal indirect 0.251449530 . . . . . 27305 1 H 1 water protons . . . . ppm 4.795 internal direct 1.0 . . . . . 27305 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . 27305 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 27305 1 2 '2D 1H-13C HSQC aliphatic' . . . 27305 1 3 '3D HNCO' . . . 27305 1 4 '3D HNCA' . . . 27305 1 5 '3D HNCACB' . . . 27305 1 6 '3D CBCA(CO)NH' . . . 27305 1 7 '3D HBHA(CO)NH' . . . 27305 1 8 '3D HCCH-TOCSY' . . . 27305 1 9 '3D 1H-15N TOCSY' . . . 27305 1 10 '3D 1H-15N NOESY' . . . 27305 1 11 '3D 1H-13C NOESY' . . . 27305 1 12 '3D H(CC)(CO)NH' . . . 27305 1 13 '3D (H)CC(CO)NH' . . . 27305 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.Ambiguity_set_ID _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 ALA HA H 1 4.06 0 . 1 . . . . . 18 ALA HA . 27305 1 2 . 1 1 1 1 ALA HB1 H 1 1.501 0.001 . 1 . . . . . 18 ALA HB . 27305 1 3 . 1 1 1 1 ALA HB2 H 1 1.501 0.001 . 1 . . . . . 18 ALA HB . 27305 1 4 . 1 1 1 1 ALA HB3 H 1 1.501 0.001 . 1 . . . . . 18 ALA HB . 27305 1 5 . 1 1 1 1 ALA CA C 13 51.908 0.002 . 1 . . . . . 18 ALA CA . 27305 1 6 . 1 1 1 1 ALA CB C 13 19.908 0.005 . 1 . . . . . 18 ALA CB . 27305 1 7 . 1 1 2 2 ARG HA H 1 4.48 0.004 . 1 . . . . . 19 ARG HA . 27305 1 8 . 1 1 2 2 ARG HB2 H 1 1.862 0 . 2 . . . . . 19 ARG HB2 . 27305 1 9 . 1 1 2 2 ARG HB3 H 1 1.752 0 . 2 . . . . . 19 ARG HB3 . 27305 1 10 . 1 1 2 2 ARG HG2 H 1 1.699 0.004 . 2 . . . . . 19 ARG HG . 27305 1 11 . 1 1 2 2 ARG HG3 H 1 1.699 0.004 . 2 . . . . . 19 ARG HG . 27305 1 12 . 1 1 2 2 ARG HD2 H 1 3.165 0 . 2 . . . . . 19 ARG HD . 27305 1 13 . 1 1 2 2 ARG HD3 H 1 3.165 0 . 2 . . . . . 19 ARG HD . 27305 1 14 . 1 1 2 2 ARG C C 13 175.815 0 . 1 . . . . . 19 ARG C . 27305 1 15 . 1 1 2 2 ARG CA C 13 56.02 0.04 . 1 . . . . . 19 ARG CA . 27305 1 16 . 1 1 2 2 ARG CB C 13 31.445 0.037 . 1 . . . . . 19 ARG CB . 27305 1 17 . 1 1 2 2 ARG CD C 13 43.639 0 . 1 . . . . . 19 ARG CD . 27305 1 18 . 1 1 3 3 SER H H 1 8.804 0.006 . 1 . . . . . 20 SER H . 27305 1 19 . 1 1 3 3 SER HA H 1 4.771 0.028 . 1 . . . . . 20 SER HA . 27305 1 20 . 1 1 3 3 SER HB2 H 1 3.972 0 . 2 . . . . . 20 SER HB . 27305 1 21 . 1 1 3 3 SER HB3 H 1 3.972 0 . 2 . . . . . 20 SER HB . 27305 1 22 . 1 1 3 3 SER CA C 13 56.565 0.048 . 1 . . . . . 20 SER CA . 27305 1 23 . 1 1 3 3 SER CB C 13 63.562 0 . 1 . . . . . 20 SER CB . 27305 1 24 . 1 1 3 3 SER N N 15 119.868 0.064 . 1 . . . . . 20 SER N . 27305 1 25 . 1 1 4 4 PRO HA H 1 4.314 0.006 . 1 . . . . . 21 PRO HA . 27305 1 26 . 1 1 4 4 PRO HB2 H 1 2.316 0.002 . 2 . . . . . 21 PRO HB2 . 27305 1 27 . 1 1 4 4 PRO HB3 H 1 1.993 0.001 . 2 . . . . . 21 PRO HB3 . 27305 1 28 . 1 1 4 4 PRO C C 13 178.442 0 . 1 . . . . . 21 PRO C . 27305 1 29 . 1 1 4 4 PRO CA C 13 65.772 0.022 . 1 . . . . . 21 PRO CA . 27305 1 30 . 1 1 4 4 PRO CB C 13 31.782 0.002 . 1 . . . . . 21 PRO CB . 27305 1 31 . 1 1 5 5 ALA H H 1 8.03 0.011 . 1 . . . . . 22 ALA H . 27305 1 32 . 1 1 5 5 ALA HA H 1 4.336 0.011 . 1 . . . . . 22 ALA HA . 27305 1 33 . 1 1 5 5 ALA HB1 H 1 1.452 0.009 . 1 . . . . . 22 ALA HB . 27305 1 34 . 1 1 5 5 ALA HB2 H 1 1.452 0.009 . 1 . . . . . 22 ALA HB . 27305 1 35 . 1 1 5 5 ALA HB3 H 1 1.452 0.009 . 1 . . . . . 22 ALA HB . 27305 1 36 . 1 1 5 5 ALA C C 13 179.571 0 . 1 . . . . . 22 ALA C . 27305 1 37 . 1 1 5 5 ALA CA C 13 54.956 0.038 . 1 . . . . . 22 ALA CA . 27305 1 38 . 1 1 5 5 ALA CB C 13 18.827 0.019 . 1 . . . . . 22 ALA CB . 27305 1 39 . 1 1 5 5 ALA N N 15 118.803 0.065 . 1 . . . . . 22 ALA N . 27305 1 40 . 1 1 6 6 GLU H H 1 7.653 0.013 . 1 . . . . . 23 GLU H . 27305 1 41 . 1 1 6 6 GLU HA H 1 3.96 0.004 . 1 . . . . . 23 GLU HA . 27305 1 42 . 1 1 6 6 GLU HB2 H 1 2.306 0 . 2 . . . . . 23 GLU HB . 27305 1 43 . 1 1 6 6 GLU HB3 H 1 2.306 0 . 2 . . . . . 23 GLU HB . 27305 1 44 . 1 1 6 6 GLU HG2 H 1 2.059 0 . 2 . . . . . 23 GLU HG . 27305 1 45 . 1 1 6 6 GLU HG3 H 1 2.059 0 . 2 . . . . . 23 GLU HG . 27305 1 46 . 1 1 6 6 GLU C C 13 180.591 0 . 1 . . . . . 23 GLU C . 27305 1 47 . 1 1 6 6 GLU CA C 13 59.107 0.087 . 1 . . . . . 23 GLU CA . 27305 1 48 . 1 1 6 6 GLU CB C 13 30.038 0 . 1 . . . . . 23 GLU CB . 27305 1 49 . 1 1 6 6 GLU N N 15 116.735 0.048 . 1 . . . . . 23 GLU N . 27305 1 50 . 1 1 7 7 MET H H 1 8.402 0.004 . 1 . . . . . 24 MET H . 27305 1 51 . 1 1 7 7 MET HE1 H 1 2.124 0 . 1 . . . . . 24 MET HE . 27305 1 52 . 1 1 7 7 MET HE2 H 1 2.124 0 . 1 . . . . . 24 MET HE . 27305 1 53 . 1 1 7 7 MET HE3 H 1 2.124 0 . 1 . . . . . 24 MET HE . 27305 1 54 . 1 1 7 7 MET C C 13 179.061 0 . 1 . . . . . 24 MET C . 27305 1 55 . 1 1 7 7 MET CA C 13 58.68 0 . 1 . . . . . 24 MET CA . 27305 1 56 . 1 1 7 7 MET CB C 13 34.321 0 . 1 . . . . . 24 MET CB . 27305 1 57 . 1 1 7 7 MET CE C 13 16.885 0.015 . 1 . . . . . 24 MET CE . 27305 1 58 . 1 1 7 7 MET N N 15 120.693 0.044 . 1 . . . . . 24 MET N . 27305 1 59 . 1 1 8 8 VAL H H 1 8.279 0.007 . 1 . . . . . 25 VAL H . 27305 1 60 . 1 1 8 8 VAL HA H 1 3.617 0.007 . 1 . . . . . 25 VAL HA . 27305 1 61 . 1 1 8 8 VAL HB H 1 2.274 0.013 . 1 . . . . . 25 VAL HB . 27305 1 62 . 1 1 8 8 VAL HG11 H 1 1.008 0.005 . 1 . . . . . 25 VAL HG1 . 27305 1 63 . 1 1 8 8 VAL HG12 H 1 1.008 0.005 . 1 . . . . . 25 VAL HG1 . 27305 1 64 . 1 1 8 8 VAL HG13 H 1 1.008 0.005 . 1 . . . . . 25 VAL HG1 . 27305 1 65 . 1 1 8 8 VAL HG21 H 1 1.058 0.003 . 1 . . . . . 25 VAL HG2 . 27305 1 66 . 1 1 8 8 VAL HG22 H 1 1.058 0.003 . 1 . . . . . 25 VAL HG2 . 27305 1 67 . 1 1 8 8 VAL HG23 H 1 1.058 0.003 . 1 . . . . . 25 VAL HG2 . 27305 1 68 . 1 1 8 8 VAL C C 13 177.139 0 . 1 . . . . . 25 VAL C . 27305 1 69 . 1 1 8 8 VAL CA C 13 67.47 0.039 . 1 . . . . . 25 VAL CA . 27305 1 70 . 1 1 8 8 VAL CB C 13 31.896 0.044 . 1 . . . . . 25 VAL CB . 27305 1 71 . 1 1 8 8 VAL CG1 C 13 22.029 0.063 . 1 . . . . . 25 VAL CG1 . 27305 1 72 . 1 1 8 8 VAL CG2 C 13 23.495 0.05 . 1 . . . . . 25 VAL CG2 . 27305 1 73 . 1 1 8 8 VAL N N 15 124.278 0.024 . 1 . . . . . 25 VAL N . 27305 1 74 . 1 1 9 9 LEU H H 1 8.047 0.006 . 1 . . . . . 26 LEU H . 27305 1 75 . 1 1 9 9 LEU HA H 1 3.814 0.004 . 1 . . . . . 26 LEU HA . 27305 1 76 . 1 1 9 9 LEU HB2 H 1 2.009 0.004 . 1 . . . . . 26 LEU HB2 . 27305 1 77 . 1 1 9 9 LEU HB3 H 1 1.614 0.004 . 1 . . . . . 26 LEU HB3 . 27305 1 78 . 1 1 9 9 LEU HG H 1 1.632 0.008 . 1 . . . . . 26 LEU HG . 27305 1 79 . 1 1 9 9 LEU HD11 H 1 1.048 0.004 . 1 . . . . . 26 LEU HD1 . 27305 1 80 . 1 1 9 9 LEU HD12 H 1 1.048 0.004 . 1 . . . . . 26 LEU HD1 . 27305 1 81 . 1 1 9 9 LEU HD13 H 1 1.048 0.004 . 1 . . . . . 26 LEU HD1 . 27305 1 82 . 1 1 9 9 LEU HD21 H 1 0.935 0.007 . 1 . . . . . 26 LEU HD2 . 27305 1 83 . 1 1 9 9 LEU HD22 H 1 0.935 0.007 . 1 . . . . . 26 LEU HD2 . 27305 1 84 . 1 1 9 9 LEU HD23 H 1 0.935 0.007 . 1 . . . . . 26 LEU HD2 . 27305 1 85 . 1 1 9 9 LEU C C 13 179.609 0 . 1 . . . . . 26 LEU C . 27305 1 86 . 1 1 9 9 LEU CA C 13 59.542 0.02 . 1 . . . . . 26 LEU CA . 27305 1 87 . 1 1 9 9 LEU CB C 13 42.211 0.02 . 1 . . . . . 26 LEU CB . 27305 1 88 . 1 1 9 9 LEU CG C 13 27.556 0.006 . 1 . . . . . 26 LEU CG . 27305 1 89 . 1 1 9 9 LEU CD1 C 13 25.778 0.029 . 1 . . . . . 26 LEU CD1 . 27305 1 90 . 1 1 9 9 LEU CD2 C 13 25.313 0.036 . 1 . . . . . 26 LEU CD2 . 27305 1 91 . 1 1 9 9 LEU N N 15 119.891 0.041 . 1 . . . . . 26 LEU N . 27305 1 92 . 1 1 10 10 GLU H H 1 8.022 0.008 . 1 . . . . . 27 GLU H . 27305 1 93 . 1 1 10 10 GLU HA H 1 4.002 0 . 1 . . . . . 27 GLU HA . 27305 1 94 . 1 1 10 10 GLU HB2 H 1 2.138 0.018 . 2 . . . . . 27 GLU HB . 27305 1 95 . 1 1 10 10 GLU HB3 H 1 2.138 0.018 . 2 . . . . . 27 GLU HB . 27305 1 96 . 1 1 10 10 GLU HG2 H 1 2.32 0.009 . 2 . . . . . 27 GLU HG . 27305 1 97 . 1 1 10 10 GLU HG3 H 1 2.32 0.009 . 2 . . . . . 27 GLU HG . 27305 1 98 . 1 1 10 10 GLU C C 13 178.921 0 . 1 . . . . . 27 GLU C . 27305 1 99 . 1 1 10 10 GLU CA C 13 59.651 0.024 . 1 . . . . . 27 GLU CA . 27305 1 100 . 1 1 10 10 GLU CB C 13 30.018 0 . 1 . . . . . 27 GLU CB . 27305 1 101 . 1 1 10 10 GLU N N 15 116.914 0.056 . 1 . . . . . 27 GLU N . 27305 1 102 . 1 1 11 11 THR H H 1 8.271 0.006 . 1 . . . . . 28 THR H . 27305 1 103 . 1 1 11 11 THR HA H 1 3.912 0.018 . 1 . . . . . 28 THR HA . 27305 1 104 . 1 1 11 11 THR HB H 1 4.315 0.014 . 1 . . . . . 28 THR HB . 27305 1 105 . 1 1 11 11 THR HG21 H 1 1.261 0.014 . 1 . . . . . 28 THR HG2 . 27305 1 106 . 1 1 11 11 THR HG22 H 1 1.261 0.014 . 1 . . . . . 28 THR HG2 . 27305 1 107 . 1 1 11 11 THR HG23 H 1 1.261 0.014 . 1 . . . . . 28 THR HG2 . 27305 1 108 . 1 1 11 11 THR C C 13 177.26 0 . 1 . . . . . 28 THR C . 27305 1 109 . 1 1 11 11 THR CA C 13 67.205 0.066 . 1 . . . . . 28 THR CA . 27305 1 110 . 1 1 11 11 THR CB C 13 69.395 0.005 . 1 . . . . . 28 THR CB . 27305 1 111 . 1 1 11 11 THR CG2 C 13 21.562 0 . 1 . . . . . 28 THR CG2 . 27305 1 112 . 1 1 11 11 THR N N 15 115.935 0.041 . 1 . . . . . 28 THR N . 27305 1 113 . 1 1 12 12 LEU H H 1 8.778 0.01 . 1 . . . . . 29 LEU H . 27305 1 114 . 1 1 12 12 LEU HA H 1 4.246 0.005 . 1 . . . . . 29 LEU HA . 27305 1 115 . 1 1 12 12 LEU HB2 H 1 1.704 0 . 2 . . . . . 29 LEU HB . 27305 1 116 . 1 1 12 12 LEU HB3 H 1 1.704 0 . 2 . . . . . 29 LEU HB . 27305 1 117 . 1 1 12 12 LEU HG H 1 1.231 0.007 . 1 . . . . . 29 LEU HG . 27305 1 118 . 1 1 12 12 LEU HD11 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 119 . 1 1 12 12 LEU HD12 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 120 . 1 1 12 12 LEU HD13 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 121 . 1 1 12 12 LEU HD21 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 122 . 1 1 12 12 LEU HD22 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 123 . 1 1 12 12 LEU HD23 H 1 0.917 0.008 . 1 . . . . . 29 LEU HD . 27305 1 124 . 1 1 12 12 LEU C C 13 178.581 0 . 1 . . . . . 29 LEU C . 27305 1 125 . 1 1 12 12 LEU CA C 13 58.486 0.078 . 1 . . . . . 29 LEU CA . 27305 1 126 . 1 1 12 12 LEU CB C 13 41.878 0 . 1 . . . . . 29 LEU CB . 27305 1 127 . 1 1 12 12 LEU CD1 C 13 25.084 0.014 . 1 . . . . . 29 LEU CD . 27305 1 128 . 1 1 12 12 LEU CD2 C 13 25.084 0.014 . 1 . . . . . 29 LEU CD . 27305 1 129 . 1 1 12 12 LEU N N 15 121.367 0.031 . 1 . . . . . 29 LEU N . 27305 1 130 . 1 1 13 13 MET H H 1 8.711 0.009 . 1 . . . . . 30 MET H . 27305 1 131 . 1 1 13 13 MET HA H 1 3.967 0.001 . 1 . . . . . 30 MET HA . 27305 1 132 . 1 1 13 13 MET HB2 H 1 2.207 0.008 . 2 . . . . . 30 MET HB . 27305 1 133 . 1 1 13 13 MET HB3 H 1 2.207 0.008 . 2 . . . . . 30 MET HB . 27305 1 134 . 1 1 13 13 MET HE1 H 1 1.958 0.006 . 1 . . . . . 30 MET HE . 27305 1 135 . 1 1 13 13 MET HE2 H 1 1.958 0.006 . 1 . . . . . 30 MET HE . 27305 1 136 . 1 1 13 13 MET HE3 H 1 1.958 0.006 . 1 . . . . . 30 MET HE . 27305 1 137 . 1 1 13 13 MET C C 13 179.255 0 . 1 . . . . . 30 MET C . 27305 1 138 . 1 1 13 13 MET CA C 13 56.469 0.058 . 1 . . . . . 30 MET CA . 27305 1 139 . 1 1 13 13 MET CB C 13 35.138 0 . 1 . . . . . 30 MET CB . 27305 1 140 . 1 1 13 13 MET CE C 13 16.125 0.014 . 1 . . . . . 30 MET CE . 27305 1 141 . 1 1 13 13 MET N N 15 116.227 0.04 . 1 . . . . . 30 MET N . 27305 1 142 . 1 1 14 14 MET H H 1 7.624 0.011 . 1 . . . . . 31 MET H . 27305 1 143 . 1 1 14 14 MET HA H 1 4.376 0 . 1 . . . . . 31 MET HA . 27305 1 144 . 1 1 14 14 MET HB2 H 1 2.276 0.008 . 2 . . . . . 31 MET HB . 27305 1 145 . 1 1 14 14 MET HB3 H 1 2.276 0.008 . 2 . . . . . 31 MET HB . 27305 1 146 . 1 1 14 14 MET HG2 H 1 2.315 0.016 . 2 . . . . . 31 MET HG . 27305 1 147 . 1 1 14 14 MET HG3 H 1 2.315 0.016 . 2 . . . . . 31 MET HG . 27305 1 148 . 1 1 14 14 MET HE1 H 1 2.069 0.001 . 1 . . . . . 31 MET HE . 27305 1 149 . 1 1 14 14 MET HE2 H 1 2.069 0.001 . 1 . . . . . 31 MET HE . 27305 1 150 . 1 1 14 14 MET HE3 H 1 2.069 0.001 . 1 . . . . . 31 MET HE . 27305 1 151 . 1 1 14 14 MET C C 13 178.244 0 . 1 . . . . . 31 MET C . 27305 1 152 . 1 1 14 14 MET CA C 13 58.891 0 . 1 . . . . . 31 MET CA . 27305 1 153 . 1 1 14 14 MET CB C 13 34.383 0 . 1 . . . . . 31 MET CB . 27305 1 154 . 1 1 14 14 MET CE C 13 16.739 0.011 . 1 . . . . . 31 MET CE . 27305 1 155 . 1 1 14 14 MET N N 15 122.91 0.025 . 1 . . . . . 31 MET N . 27305 1 156 . 1 1 15 15 GLU H H 1 8.029 0.008 . 1 . . . . . 32 GLU H . 27305 1 157 . 1 1 15 15 GLU HA H 1 4.597 0.008 . 1 . . . . . 32 GLU HA . 27305 1 158 . 1 1 15 15 GLU HB2 H 1 2.092 0 . 2 . . . . . 32 GLU HB . 27305 1 159 . 1 1 15 15 GLU HB3 H 1 2.092 0 . 2 . . . . . 32 GLU HB . 27305 1 160 . 1 1 15 15 GLU HG2 H 1 2.254 0 . 2 . . . . . 32 GLU HG . 27305 1 161 . 1 1 15 15 GLU HG3 H 1 2.254 0 . 2 . . . . . 32 GLU HG . 27305 1 162 . 1 1 15 15 GLU C C 13 179.333 0 . 1 . . . . . 32 GLU C . 27305 1 163 . 1 1 15 15 GLU CA C 13 59.145 0 . 1 . . . . . 32 GLU CA . 27305 1 164 . 1 1 15 15 GLU CB C 13 27.895 0 . 1 . . . . . 32 GLU CB . 27305 1 165 . 1 1 15 15 GLU N N 15 119.767 0.058 . 1 . . . . . 32 GLU N . 27305 1 166 . 1 1 16 16 LEU H H 1 8.216 0.012 . 1 . . . . . 33 LEU H . 27305 1 167 . 1 1 16 16 LEU HA H 1 3.714 0.013 . 1 . . . . . 33 LEU HA . 27305 1 168 . 1 1 16 16 LEU HB2 H 1 1.692 0.012 . 2 . . . . . 33 LEU HB2 . 27305 1 169 . 1 1 16 16 LEU HB3 H 1 0.194 0.016 . 2 . . . . . 33 LEU HB3 . 27305 1 170 . 1 1 16 16 LEU HG H 1 1.302 0.007 . 1 . . . . . 33 LEU HG . 27305 1 171 . 1 1 16 16 LEU HD11 H 1 0.527 0.009 . 1 . . . . . 33 LEU HD1 . 27305 1 172 . 1 1 16 16 LEU HD12 H 1 0.527 0.009 . 1 . . . . . 33 LEU HD1 . 27305 1 173 . 1 1 16 16 LEU HD13 H 1 0.527 0.009 . 1 . . . . . 33 LEU HD1 . 27305 1 174 . 1 1 16 16 LEU HD21 H 1 0.623 0.004 . 1 . . . . . 33 LEU HD2 . 27305 1 175 . 1 1 16 16 LEU HD22 H 1 0.623 0.004 . 1 . . . . . 33 LEU HD2 . 27305 1 176 . 1 1 16 16 LEU HD23 H 1 0.623 0.004 . 1 . . . . . 33 LEU HD2 . 27305 1 177 . 1 1 16 16 LEU C C 13 178.168 0 . 1 . . . . . 33 LEU C . 27305 1 178 . 1 1 16 16 LEU CA C 13 59.126 0.023 . 1 . . . . . 33 LEU CA . 27305 1 179 . 1 1 16 16 LEU CB C 13 39.434 0.042 . 1 . . . . . 33 LEU CB . 27305 1 180 . 1 1 16 16 LEU CG C 13 26.978 0 . 1 . . . . . 33 LEU CG . 27305 1 181 . 1 1 16 16 LEU CD1 C 13 23.28 0.029 . 1 . . . . . 33 LEU CD1 . 27305 1 182 . 1 1 16 16 LEU CD2 C 13 26.732 0.055 . 1 . . . . . 33 LEU CD2 . 27305 1 183 . 1 1 16 16 LEU N N 15 121.37 0.046 . 1 . . . . . 33 LEU N . 27305 1 184 . 1 1 17 17 THR H H 1 8.416 0.005 . 1 . . . . . 34 THR H . 27305 1 185 . 1 1 17 17 THR HA H 1 3.922 0.007 . 1 . . . . . 34 THR HA . 27305 1 186 . 1 1 17 17 THR HB H 1 4.288 0.007 . 1 . . . . . 34 THR HB . 27305 1 187 . 1 1 17 17 THR HG21 H 1 1.296 0.006 . 1 . . . . . 34 THR HG2 . 27305 1 188 . 1 1 17 17 THR HG22 H 1 1.296 0.006 . 1 . . . . . 34 THR HG2 . 27305 1 189 . 1 1 17 17 THR HG23 H 1 1.296 0.006 . 1 . . . . . 34 THR HG2 . 27305 1 190 . 1 1 17 17 THR C C 13 177.389 0 . 1 . . . . . 34 THR C . 27305 1 191 . 1 1 17 17 THR CA C 13 66.918 0.037 . 1 . . . . . 34 THR CA . 27305 1 192 . 1 1 17 17 THR CB C 13 68.941 0.132 . 1 . . . . . 34 THR CB . 27305 1 193 . 1 1 17 17 THR CG2 C 13 21.628 0.01 . 1 . . . . . 34 THR CG2 . 27305 1 194 . 1 1 17 17 THR N N 15 112.946 0.042 . 1 . . . . . 34 THR N . 27305 1 195 . 1 1 18 18 GLY H H 1 8.399 0.006 . 1 . . . . . 35 GLY H . 27305 1 196 . 1 1 18 18 GLY HA2 H 1 4.024 0.005 . 2 . . . . . 35 GLY HA2 . 27305 1 197 . 1 1 18 18 GLY HA3 H 1 3.83 0 . 2 . . . . . 35 GLY HA3 . 27305 1 198 . 1 1 18 18 GLY C C 13 177.332 0 . 1 . . . . . 35 GLY C . 27305 1 199 . 1 1 18 18 GLY CA C 13 47.24 0.065 . 1 . . . . . 35 GLY CA . 27305 1 200 . 1 1 18 18 GLY N N 15 109.742 0.034 . 1 . . . . . 35 GLY N . 27305 1 201 . 1 1 19 19 GLN H H 1 8.45 0.008 . 1 . . . . . 36 GLN H . 27305 1 202 . 1 1 19 19 GLN HA H 1 4.605 0.008 . 1 . . . . . 36 GLN HA . 27305 1 203 . 1 1 19 19 GLN HB2 H 1 2.115 0.007 . 2 . . . . . 36 GLN HB . 27305 1 204 . 1 1 19 19 GLN HB3 H 1 2.115 0.007 . 2 . . . . . 36 GLN HB . 27305 1 205 . 1 1 19 19 GLN HG2 H 1 2.152 0.009 . 2 . . . . . 36 GLN HG . 27305 1 206 . 1 1 19 19 GLN HG3 H 1 2.152 0.009 . 2 . . . . . 36 GLN HG . 27305 1 207 . 1 1 19 19 GLN HE21 H 1 8.01 0.01 . 2 . . . . . 36 GLN HE21 . 27305 1 208 . 1 1 19 19 GLN HE22 H 1 6.717 0.016 . 2 . . . . . 36 GLN HE22 . 27305 1 209 . 1 1 19 19 GLN C C 13 180.614 0 . 1 . . . . . 36 GLN C . 27305 1 210 . 1 1 19 19 GLN CA C 13 57.487 0.016 . 1 . . . . . 36 GLN CA . 27305 1 211 . 1 1 19 19 GLN CB C 13 26.342 0 . 1 . . . . . 36 GLN CB . 27305 1 212 . 1 1 19 19 GLN CD C 13 178.865 0 . 1 . . . . . 36 GLN CD . 27305 1 213 . 1 1 19 19 GLN N N 15 120.353 0.034 . 1 . . . . . 36 GLN N . 27305 1 214 . 1 1 19 19 GLN NE2 N 15 110.028 0.068 . 1 . . . . . 36 GLN NE2 . 27305 1 215 . 1 1 20 20 MET H H 1 8.826 0.012 . 1 . . . . . 37 MET H . 27305 1 216 . 1 1 20 20 MET HA H 1 3.99 0.014 . 1 . . . . . 37 MET HA . 27305 1 217 . 1 1 20 20 MET HB2 H 1 2.328 0.01 . 2 . . . . . 37 MET HB . 27305 1 218 . 1 1 20 20 MET HB3 H 1 2.328 0.01 . 2 . . . . . 37 MET HB . 27305 1 219 . 1 1 20 20 MET HG2 H 1 2.472 0.017 . 2 . . . . . 37 MET HG . 27305 1 220 . 1 1 20 20 MET HG3 H 1 2.472 0.017 . 2 . . . . . 37 MET HG . 27305 1 221 . 1 1 20 20 MET HE1 H 1 2.197 0.007 . 1 . . . . . 37 MET HE . 27305 1 222 . 1 1 20 20 MET HE2 H 1 2.197 0.007 . 1 . . . . . 37 MET HE . 27305 1 223 . 1 1 20 20 MET HE3 H 1 2.197 0.007 . 1 . . . . . 37 MET HE . 27305 1 224 . 1 1 20 20 MET C C 13 177.38 0 . 1 . . . . . 37 MET C . 27305 1 225 . 1 1 20 20 MET CA C 13 60.916 0.079 . 1 . . . . . 37 MET CA . 27305 1 226 . 1 1 20 20 MET CB C 13 33.802 0 . 1 . . . . . 37 MET CB . 27305 1 227 . 1 1 20 20 MET CE C 13 16.703 0.01 . 1 . . . . . 37 MET CE . 27305 1 228 . 1 1 20 20 MET N N 15 122.702 0.045 . 1 . . . . . 37 MET N . 27305 1 229 . 1 1 21 21 ARG H H 1 7.958 0.005 . 1 . . . . . 38 ARG H . 27305 1 230 . 1 1 21 21 ARG HA H 1 4.264 0 . 1 . . . . . 38 ARG HA . 27305 1 231 . 1 1 21 21 ARG HB2 H 1 1.859 0 . 2 . . . . . 38 ARG HB . 27305 1 232 . 1 1 21 21 ARG HB3 H 1 1.859 0 . 2 . . . . . 38 ARG HB . 27305 1 233 . 1 1 21 21 ARG HD2 H 1 3.292 0.013 . 2 . . . . . 38 ARG HD . 27305 1 234 . 1 1 21 21 ARG HD3 H 1 3.292 0.013 . 2 . . . . . 38 ARG HD . 27305 1 235 . 1 1 21 21 ARG C C 13 180.012 0 . 1 . . . . . 38 ARG C . 27305 1 236 . 1 1 21 21 ARG CA C 13 59.106 0.011 . 1 . . . . . 38 ARG CA . 27305 1 237 . 1 1 21 21 ARG CB C 13 29.907 0 . 1 . . . . . 38 ARG CB . 27305 1 238 . 1 1 21 21 ARG CD C 13 43.527 0 . 1 . . . . . 38 ARG CD . 27305 1 239 . 1 1 21 21 ARG N N 15 117.931 0.064 . 1 . . . . . 38 ARG N . 27305 1 240 . 1 1 22 22 GLU H H 1 7.997 0.005 . 1 . . . . . 39 GLU H . 27305 1 241 . 1 1 22 22 GLU HA H 1 4.395 0.01 . 1 . . . . . 39 GLU HA . 27305 1 242 . 1 1 22 22 GLU HB2 H 1 2.086 0.005 . 2 . . . . . 39 GLU HB . 27305 1 243 . 1 1 22 22 GLU HB3 H 1 2.086 0.005 . 2 . . . . . 39 GLU HB . 27305 1 244 . 1 1 22 22 GLU HG2 H 1 2.168 0 . 2 . . . . . 39 GLU HG . 27305 1 245 . 1 1 22 22 GLU HG3 H 1 2.168 0 . 2 . . . . . 39 GLU HG . 27305 1 246 . 1 1 22 22 GLU C C 13 178.029 0 . 1 . . . . . 39 GLU C . 27305 1 247 . 1 1 22 22 GLU CA C 13 58.358 0.074 . 1 . . . . . 39 GLU CA . 27305 1 248 . 1 1 22 22 GLU N N 15 120.715 0.065 . 1 . . . . . 39 GLU N . 27305 1 249 . 1 1 23 23 ALA H H 1 8.206 0.009 . 1 . . . . . 40 ALA H . 27305 1 250 . 1 1 23 23 ALA HA H 1 4.219 0.003 . 1 . . . . . 40 ALA HA . 27305 1 251 . 1 1 23 23 ALA HB1 H 1 1.445 0.01 . 1 . . . . . 40 ALA HB . 27305 1 252 . 1 1 23 23 ALA HB2 H 1 1.445 0.01 . 1 . . . . . 40 ALA HB . 27305 1 253 . 1 1 23 23 ALA HB3 H 1 1.445 0.01 . 1 . . . . . 40 ALA HB . 27305 1 254 . 1 1 23 23 ALA C C 13 180.652 0 . 1 . . . . . 40 ALA C . 27305 1 255 . 1 1 23 23 ALA CA C 13 55.086 0.038 . 1 . . . . . 40 ALA CA . 27305 1 256 . 1 1 23 23 ALA CB C 13 17.638 0.021 . 1 . . . . . 40 ALA CB . 27305 1 257 . 1 1 23 23 ALA N N 15 122.938 0.039 . 1 . . . . . 40 ALA N . 27305 1 258 . 1 1 24 24 GLU H H 1 8.153 0.007 . 1 . . . . . 41 GLU H . 27305 1 259 . 1 1 24 24 GLU CA C 13 59.79 0.038 . 1 . . . . . 41 GLU CA . 27305 1 260 . 1 1 24 24 GLU CB C 13 29.89 0 . 1 . . . . . 41 GLU CB . 27305 1 261 . 1 1 24 24 GLU N N 15 119.349 0.046 . 1 . . . . . 41 GLU N . 27305 1 262 . 1 1 25 25 ARG C C 13 178.338 0 . 1 . . . . . 42 ARG C . 27305 1 263 . 1 1 26 26 GLN H H 1 8.058 0.007 . 1 . . . . . 43 GLN H . 27305 1 264 . 1 1 26 26 GLN HA H 1 3.963 0.001 . 1 . . . . . 43 GLN HA . 27305 1 265 . 1 1 26 26 GLN HB2 H 1 2.015 0 . 2 . . . . . 43 GLN HB . 27305 1 266 . 1 1 26 26 GLN HB3 H 1 2.015 0 . 2 . . . . . 43 GLN HB . 27305 1 267 . 1 1 26 26 GLN HG2 H 1 2.274 0 . 2 . . . . . 43 GLN HG . 27305 1 268 . 1 1 26 26 GLN HG3 H 1 2.274 0 . 2 . . . . . 43 GLN HG . 27305 1 269 . 1 1 26 26 GLN HE21 H 1 7.617 0 . 2 . . . . . 43 GLN HE21 . 27305 1 270 . 1 1 26 26 GLN HE22 H 1 6.77 0 . 2 . . . . . 43 GLN HE22 . 27305 1 271 . 1 1 26 26 GLN C C 13 179.103 0 . 1 . . . . . 43 GLN C . 27305 1 272 . 1 1 26 26 GLN CA C 13 59.828 0.004 . 1 . . . . . 43 GLN CA . 27305 1 273 . 1 1 26 26 GLN CB C 13 29.848 0 . 1 . . . . . 43 GLN CB . 27305 1 274 . 1 1 26 26 GLN N N 15 120.873 0.043 . 1 . . . . . 43 GLN N . 27305 1 275 . 1 1 26 26 GLN NE2 N 15 111.32 0.043 . 1 . . . . . 43 GLN NE2 . 27305 1 276 . 1 1 27 27 GLN H H 1 8.426 0.009 . 1 . . . . . 44 GLN H . 27305 1 277 . 1 1 27 27 GLN HA H 1 3.987 0 . 1 . . . . . 44 GLN HA . 27305 1 278 . 1 1 27 27 GLN HB2 H 1 2.109 0 . 2 . . . . . 44 GLN HB . 27305 1 279 . 1 1 27 27 GLN HB3 H 1 2.109 0 . 2 . . . . . 44 GLN HB . 27305 1 280 . 1 1 27 27 GLN HG2 H 1 2.306 0 . 2 . . . . . 44 GLN HG . 27305 1 281 . 1 1 27 27 GLN HG3 H 1 2.306 0 . 2 . . . . . 44 GLN HG . 27305 1 282 . 1 1 27 27 GLN C C 13 178.667 0 . 1 . . . . . 44 GLN C . 27305 1 283 . 1 1 27 27 GLN CA C 13 58.911 0.069 . 1 . . . . . 44 GLN CA . 27305 1 284 . 1 1 27 27 GLN CB C 13 28.59 0 . 1 . . . . . 44 GLN CB . 27305 1 285 . 1 1 27 27 GLN N N 15 117.963 0.037 . 1 . . . . . 44 GLN N . 27305 1 286 . 1 1 28 28 ARG H H 1 8.135 0.01 . 1 . . . . . 45 ARG H . 27305 1 287 . 1 1 28 28 ARG HB2 H 1 2.255 0 . 2 . . . . . 45 ARG HB . 27305 1 288 . 1 1 28 28 ARG HB3 H 1 2.255 0 . 2 . . . . . 45 ARG HB . 27305 1 289 . 1 1 28 28 ARG HD2 H 1 3.22 0 . 2 . . . . . 45 ARG HD . 27305 1 290 . 1 1 28 28 ARG HD3 H 1 3.22 0 . 2 . . . . . 45 ARG HD . 27305 1 291 . 1 1 28 28 ARG C C 13 178.808 0 . 1 . . . . . 45 ARG C . 27305 1 292 . 1 1 28 28 ARG CA C 13 58.819 0.157 . 1 . . . . . 45 ARG CA . 27305 1 293 . 1 1 28 28 ARG CB C 13 28.447 0 . 1 . . . . . 45 ARG CB . 27305 1 294 . 1 1 28 28 ARG N N 15 119.313 0.091 . 1 . . . . . 45 ARG N . 27305 1 295 . 1 1 29 29 GLU H H 1 8.306 0.006 . 1 . . . . . 46 GLU H . 27305 1 296 . 1 1 29 29 GLU HA H 1 4.154 0.018 . 1 . . . . . 46 GLU HA . 27305 1 297 . 1 1 29 29 GLU HB2 H 1 2.144 0.029 . 2 . . . . . 46 GLU HB . 27305 1 298 . 1 1 29 29 GLU HB3 H 1 2.144 0.029 . 2 . . . . . 46 GLU HB . 27305 1 299 . 1 1 29 29 GLU HG2 H 1 2.445 0.059 . 2 . . . . . 46 GLU HG . 27305 1 300 . 1 1 29 29 GLU HG3 H 1 2.445 0.059 . 2 . . . . . 46 GLU HG . 27305 1 301 . 1 1 29 29 GLU C C 13 178.808 0 . 1 . . . . . 46 GLU C . 27305 1 302 . 1 1 29 29 GLU CA C 13 58.758 0.056 . 1 . . . . . 46 GLU CA . 27305 1 303 . 1 1 29 29 GLU CB C 13 29.427 0.124 . 1 . . . . . 46 GLU CB . 27305 1 304 . 1 1 29 29 GLU N N 15 119.964 0.028 . 1 . . . . . 46 GLU N . 27305 1 305 . 1 1 30 30 ARG H H 1 8.037 0.006 . 1 . . . . . 47 ARG H . 27305 1 306 . 1 1 30 30 ARG HA H 1 4.033 0 . 1 . . . . . 47 ARG HA . 27305 1 307 . 1 1 30 30 ARG HB2 H 1 1.942 0.004 . 2 . . . . . 47 ARG HB . 27305 1 308 . 1 1 30 30 ARG HB3 H 1 1.942 0.004 . 2 . . . . . 47 ARG HB . 27305 1 309 . 1 1 30 30 ARG HG2 H 1 1.664 0.002 . 2 . . . . . 47 ARG HG . 27305 1 310 . 1 1 30 30 ARG HG3 H 1 1.664 0.002 . 2 . . . . . 47 ARG HG . 27305 1 311 . 1 1 30 30 ARG HD2 H 1 3.206 0.007 . 2 . . . . . 47 ARG HD . 27305 1 312 . 1 1 30 30 ARG HD3 H 1 3.206 0.007 . 2 . . . . . 47 ARG HD . 27305 1 313 . 1 1 30 30 ARG C C 13 178.105 0 . 1 . . . . . 47 ARG C . 27305 1 314 . 1 1 30 30 ARG CA C 13 58.544 0.015 . 1 . . . . . 47 ARG CA . 27305 1 315 . 1 1 30 30 ARG CB C 13 30.455 0 . 1 . . . . . 47 ARG CB . 27305 1 316 . 1 1 30 30 ARG N N 15 119.582 0.098 . 1 . . . . . 47 ARG N . 27305 1 317 . 1 1 31 31 SER H H 1 8.117 0.012 . 1 . . . . . 48 SER H . 27305 1 318 . 1 1 31 31 SER HA H 1 4.37 0.007 . 1 . . . . . 48 SER HA . 27305 1 319 . 1 1 31 31 SER HB2 H 1 4.025 0 . 2 . . . . . 48 SER HB2 . 27305 1 320 . 1 1 31 31 SER HB3 H 1 3.99 0.009 . 2 . . . . . 48 SER HB3 . 27305 1 321 . 1 1 31 31 SER C C 13 175.554 0 . 1 . . . . . 48 SER C . 27305 1 322 . 1 1 31 31 SER CA C 13 60.157 0.017 . 1 . . . . . 48 SER CA . 27305 1 323 . 1 1 31 31 SER CB C 13 63.426 0.02 . 1 . . . . . 48 SER CB . 27305 1 324 . 1 1 31 31 SER N N 15 114.92 0.053 . 1 . . . . . 48 SER N . 27305 1 325 . 1 1 32 32 ASN H H 1 8.242 0.01 . 1 . . . . . 49 ASN H . 27305 1 326 . 1 1 32 32 ASN HA H 1 4.617 0.009 . 1 . . . . . 49 ASN HA . 27305 1 327 . 1 1 32 32 ASN HB2 H 1 2.868 0.011 . 2 . . . . . 49 ASN HB . 27305 1 328 . 1 1 32 32 ASN HB3 H 1 2.868 0.011 . 2 . . . . . 49 ASN HB . 27305 1 329 . 1 1 32 32 ASN HD21 H 1 7.649 0.003 . 2 . . . . . 49 ASN HD21 . 27305 1 330 . 1 1 32 32 ASN HD22 H 1 6.917 0.003 . 2 . . . . . 49 ASN HD22 . 27305 1 331 . 1 1 32 32 ASN C C 13 175.828 0 . 1 . . . . . 49 ASN C . 27305 1 332 . 1 1 32 32 ASN CA C 13 54.445 0.027 . 1 . . . . . 49 ASN CA . 27305 1 333 . 1 1 32 32 ASN CB C 13 38.484 0.071 . 1 . . . . . 49 ASN CB . 27305 1 334 . 1 1 32 32 ASN CG C 13 176.582 0.009 . 1 . . . . . 49 ASN CG . 27305 1 335 . 1 1 32 32 ASN N N 15 120.026 0.017 . 1 . . . . . 49 ASN N . 27305 1 336 . 1 1 32 32 ASN ND2 N 15 112.5 0.035 . 1 . . . . . 49 ASN ND2 . 27305 1 337 . 1 1 33 33 ALA H H 1 7.964 0.008 . 1 . . . . . 50 ALA H . 27305 1 338 . 1 1 33 33 ALA HA H 1 4.265 0.001 . 1 . . . . . 50 ALA HA . 27305 1 339 . 1 1 33 33 ALA HB1 H 1 1.487 0.003 . 1 . . . . . 50 ALA HB . 27305 1 340 . 1 1 33 33 ALA HB2 H 1 1.487 0.003 . 1 . . . . . 50 ALA HB . 27305 1 341 . 1 1 33 33 ALA HB3 H 1 1.487 0.003 . 1 . . . . . 50 ALA HB . 27305 1 342 . 1 1 33 33 ALA C C 13 178.543 0 . 1 . . . . . 50 ALA C . 27305 1 343 . 1 1 33 33 ALA CA C 13 53.83 0.012 . 1 . . . . . 50 ALA CA . 27305 1 344 . 1 1 33 33 ALA CB C 13 18.944 0.033 . 1 . . . . . 50 ALA CB . 27305 1 345 . 1 1 33 33 ALA N N 15 122.591 0.045 . 1 . . . . . 50 ALA N . 27305 1 346 . 1 1 34 34 VAL H H 1 7.781 0.005 . 1 . . . . . 51 VAL H . 27305 1 347 . 1 1 34 34 VAL HA H 1 4.055 0.009 . 1 . . . . . 51 VAL HA . 27305 1 348 . 1 1 34 34 VAL HB H 1 2.157 0.009 . 1 . . . . . 51 VAL HB . 27305 1 349 . 1 1 34 34 VAL HG11 H 1 0.962 0.006 . 1 . . . . . 51 VAL HG1 . 27305 1 350 . 1 1 34 34 VAL HG12 H 1 0.962 0.006 . 1 . . . . . 51 VAL HG1 . 27305 1 351 . 1 1 34 34 VAL HG13 H 1 0.962 0.006 . 1 . . . . . 51 VAL HG1 . 27305 1 352 . 1 1 34 34 VAL HG21 H 1 1.014 0.007 . 1 . . . . . 51 VAL HG2 . 27305 1 353 . 1 1 34 34 VAL HG22 H 1 1.014 0.007 . 1 . . . . . 51 VAL HG2 . 27305 1 354 . 1 1 34 34 VAL HG23 H 1 1.014 0.007 . 1 . . . . . 51 VAL HG2 . 27305 1 355 . 1 1 34 34 VAL C C 13 176.51 0 . 1 . . . . . 51 VAL C . 27305 1 356 . 1 1 34 34 VAL CA C 13 63.168 0.014 . 1 . . . . . 51 VAL CA . 27305 1 357 . 1 1 34 34 VAL CB C 13 32.411 0.013 . 1 . . . . . 51 VAL CB . 27305 1 358 . 1 1 34 34 VAL CG1 C 13 21.224 0.027 . 1 . . . . . 51 VAL CG1 . 27305 1 359 . 1 1 34 34 VAL CG2 C 13 20.994 0.023 . 1 . . . . . 51 VAL CG2 . 27305 1 360 . 1 1 34 34 VAL N N 15 117.083 0.037 . 1 . . . . . 51 VAL N . 27305 1 361 . 1 1 35 35 ARG H H 1 8.065 0.007 . 1 . . . . . 52 ARG H . 27305 1 362 . 1 1 35 35 ARG HA H 1 4.274 0.01 . 1 . . . . . 52 ARG HA . 27305 1 363 . 1 1 35 35 ARG HB2 H 1 1.813 0.012 . 2 . . . . . 52 ARG HB . 27305 1 364 . 1 1 35 35 ARG HB3 H 1 1.813 0.012 . 2 . . . . . 52 ARG HB . 27305 1 365 . 1 1 35 35 ARG HG2 H 1 1.674 0.014 . 2 . . . . . 52 ARG HG . 27305 1 366 . 1 1 35 35 ARG HG3 H 1 1.674 0.014 . 2 . . . . . 52 ARG HG . 27305 1 367 . 1 1 35 35 ARG HD2 H 1 3.13 0.015 . 2 . . . . . 52 ARG HD . 27305 1 368 . 1 1 35 35 ARG HD3 H 1 3.13 0.015 . 2 . . . . . 52 ARG HD . 27305 1 369 . 1 1 35 35 ARG C C 13 176.343 0 . 1 . . . . . 52 ARG C . 27305 1 370 . 1 1 35 35 ARG CA C 13 56.669 0.076 . 1 . . . . . 52 ARG CA . 27305 1 371 . 1 1 35 35 ARG CB C 13 30.703 0.038 . 1 . . . . . 52 ARG CB . 27305 1 372 . 1 1 35 35 ARG CG C 13 27.105 0 . 1 . . . . . 52 ARG CG . 27305 1 373 . 1 1 35 35 ARG CD C 13 43.623 0 . 1 . . . . . 52 ARG CD . 27305 1 374 . 1 1 35 35 ARG N N 15 123.017 0.05 . 1 . . . . . 52 ARG N . 27305 1 375 . 1 1 36 36 LYS H H 1 8.225 0.004 . 1 . . . . . 53 LYS H . 27305 1 376 . 1 1 36 36 LYS HA H 1 4.288 0.004 . 1 . . . . . 53 LYS HA . 27305 1 377 . 1 1 36 36 LYS HB2 H 1 1.817 0.011 . 2 . . . . . 53 LYS HB . 27305 1 378 . 1 1 36 36 LYS HB3 H 1 1.817 0.011 . 2 . . . . . 53 LYS HB . 27305 1 379 . 1 1 36 36 LYS HG2 H 1 1.411 0.013 . 2 . . . . . 53 LYS HG . 27305 1 380 . 1 1 36 36 LYS HG3 H 1 1.411 0.013 . 2 . . . . . 53 LYS HG . 27305 1 381 . 1 1 36 36 LYS HD2 H 1 1.669 0.012 . 2 . . . . . 53 LYS HD . 27305 1 382 . 1 1 36 36 LYS HD3 H 1 1.669 0.012 . 2 . . . . . 53 LYS HD . 27305 1 383 . 1 1 36 36 LYS HE2 H 1 2.963 0.003 . 2 . . . . . 53 LYS HE . 27305 1 384 . 1 1 36 36 LYS HE3 H 1 2.963 0.003 . 2 . . . . . 53 LYS HE . 27305 1 385 . 1 1 36 36 LYS C C 13 176.635 0 . 1 . . . . . 53 LYS C . 27305 1 386 . 1 1 36 36 LYS CA C 13 56.816 0.013 . 1 . . . . . 53 LYS CA . 27305 1 387 . 1 1 36 36 LYS CB C 13 33.014 0.053 . 1 . . . . . 53 LYS CB . 27305 1 388 . 1 1 36 36 LYS CG C 13 24.942 0.025 . 1 . . . . . 53 LYS CG . 27305 1 389 . 1 1 36 36 LYS CD C 13 29.187 0.039 . 1 . . . . . 53 LYS CD . 27305 1 390 . 1 1 36 36 LYS CE C 13 42.182 0.005 . 1 . . . . . 53 LYS CE . 27305 1 391 . 1 1 36 36 LYS N N 15 122.077 0.029 . 1 . . . . . 53 LYS N . 27305 1 392 . 1 1 37 37 VAL H H 1 8.051 0.005 . 1 . . . . . 54 VAL H . 27305 1 393 . 1 1 37 37 VAL HA H 1 4.141 0.01 . 1 . . . . . 54 VAL HA . 27305 1 394 . 1 1 37 37 VAL HB H 1 2.122 0.005 . 1 . . . . . 54 VAL HB . 27305 1 395 . 1 1 37 37 VAL HG11 H 1 0.942 0.004 . 1 . . . . . 54 VAL HG1 . 27305 1 396 . 1 1 37 37 VAL HG12 H 1 0.942 0.004 . 1 . . . . . 54 VAL HG1 . 27305 1 397 . 1 1 37 37 VAL HG13 H 1 0.942 0.004 . 1 . . . . . 54 VAL HG1 . 27305 1 398 . 1 1 37 37 VAL HG21 H 1 0.966 0.001 . 1 . . . . . 54 VAL HG2 . 27305 1 399 . 1 1 37 37 VAL HG22 H 1 0.966 0.001 . 1 . . . . . 54 VAL HG2 . 27305 1 400 . 1 1 37 37 VAL HG23 H 1 0.966 0.001 . 1 . . . . . 54 VAL HG2 . 27305 1 401 . 1 1 37 37 VAL C C 13 176.141 0 . 1 . . . . . 54 VAL C . 27305 1 402 . 1 1 37 37 VAL CA C 13 62.571 0.032 . 1 . . . . . 54 VAL CA . 27305 1 403 . 1 1 37 37 VAL CB C 13 32.797 0.023 . 1 . . . . . 54 VAL CB . 27305 1 404 . 1 1 37 37 VAL CG1 C 13 21.29 0.004 . 1 . . . . . 54 VAL CG1 . 27305 1 405 . 1 1 37 37 VAL CG2 C 13 20.689 0.027 . 1 . . . . . 54 VAL CG2 . 27305 1 406 . 1 1 37 37 VAL N N 15 120.104 0.057 . 1 . . . . . 54 VAL N . 27305 1 407 . 1 1 38 38 CYS H H 1 8.412 0.005 . 1 . . . . . 55 CYS H . 27305 1 408 . 1 1 38 38 CYS HA H 1 4.56 0.003 . 1 . . . . . 55 CYS HA . 27305 1 409 . 1 1 38 38 CYS HB2 H 1 2.911 0.002 . 2 . . . . . 55 CYS HB . 27305 1 410 . 1 1 38 38 CYS HB3 H 1 2.911 0.002 . 2 . . . . . 55 CYS HB . 27305 1 411 . 1 1 38 38 CYS C C 13 174.775 0 . 1 . . . . . 55 CYS C . 27305 1 412 . 1 1 38 38 CYS CA C 13 58.886 0.017 . 1 . . . . . 55 CYS CA . 27305 1 413 . 1 1 38 38 CYS CB C 13 28.152 0.01 . 1 . . . . . 55 CYS CB . 27305 1 414 . 1 1 38 38 CYS N N 15 122.832 0.078 . 1 . . . . . 55 CYS N . 27305 1 415 . 1 1 39 39 THR H H 1 8.266 0 . 1 . . . . . 56 THR H . 27305 1 416 . 1 1 39 39 THR HA H 1 4.384 0.001 . 1 . . . . . 56 THR HA . 27305 1 417 . 1 1 39 39 THR HB H 1 4.292 0.01 . 1 . . . . . 56 THR HB . 27305 1 418 . 1 1 39 39 THR HG21 H 1 1.217 0.003 . 1 . . . . . 56 THR HG2 . 27305 1 419 . 1 1 39 39 THR HG22 H 1 1.217 0.003 . 1 . . . . . 56 THR HG2 . 27305 1 420 . 1 1 39 39 THR HG23 H 1 1.217 0.003 . 1 . . . . . 56 THR HG2 . 27305 1 421 . 1 1 39 39 THR C C 13 174.956 0 . 1 . . . . . 56 THR C . 27305 1 422 . 1 1 39 39 THR CA C 13 62.143 0.016 . 1 . . . . . 56 THR CA . 27305 1 423 . 1 1 39 39 THR CB C 13 69.869 0.082 . 1 . . . . . 56 THR CB . 27305 1 424 . 1 1 39 39 THR CG2 C 13 21.622 0.032 . 1 . . . . . 56 THR CG2 . 27305 1 425 . 1 1 39 39 THR N N 15 115.602 0 . 1 . . . . . 56 THR N . 27305 1 426 . 1 1 40 40 GLY H H 1 8.465 0.005 . 1 . . . . . 57 GLY H . 27305 1 427 . 1 1 40 40 GLY HA2 H 1 4.06 0 . 2 . . . . . 57 GLY HA2 . 27305 1 428 . 1 1 40 40 GLY HA3 H 1 3.941 0 . 2 . . . . . 57 GLY HA3 . 27305 1 429 . 1 1 40 40 GLY C C 13 173.914 0 . 1 . . . . . 57 GLY C . 27305 1 430 . 1 1 40 40 GLY CA C 13 45.397 0.002 . 1 . . . . . 57 GLY CA . 27305 1 431 . 1 1 40 40 GLY N N 15 111.527 0 . 1 . . . . . 57 GLY N . 27305 1 432 . 1 1 41 41 VAL H H 1 7.881 0.006 . 1 . . . . . 58 VAL H . 27305 1 433 . 1 1 41 41 VAL HA H 1 4.064 0.006 . 1 . . . . . 58 VAL HA . 27305 1 434 . 1 1 41 41 VAL HB H 1 1.972 0.005 . 1 . . . . . 58 VAL HB . 27305 1 435 . 1 1 41 41 VAL HG11 H 1 0.758 0.006 . 1 . . . . . 58 VAL HG1 . 27305 1 436 . 1 1 41 41 VAL HG12 H 1 0.758 0.006 . 1 . . . . . 58 VAL HG1 . 27305 1 437 . 1 1 41 41 VAL HG13 H 1 0.758 0.006 . 1 . . . . . 58 VAL HG1 . 27305 1 438 . 1 1 41 41 VAL HG21 H 1 0.844 0.002 . 1 . . . . . 58 VAL HG2 . 27305 1 439 . 1 1 41 41 VAL HG22 H 1 0.844 0.002 . 1 . . . . . 58 VAL HG2 . 27305 1 440 . 1 1 41 41 VAL HG23 H 1 0.844 0.002 . 1 . . . . . 58 VAL HG2 . 27305 1 441 . 1 1 41 41 VAL C C 13 175.224 0 . 1 . . . . . 58 VAL C . 27305 1 442 . 1 1 41 41 VAL CA C 13 62.151 0.038 . 1 . . . . . 58 VAL CA . 27305 1 443 . 1 1 41 41 VAL CB C 13 32.978 0.013 . 1 . . . . . 58 VAL CB . 27305 1 444 . 1 1 41 41 VAL CG1 C 13 21.106 0.008 . 1 . . . . . 58 VAL CG1 . 27305 1 445 . 1 1 41 41 VAL CG2 C 13 20.432 0.017 . 1 . . . . . 58 VAL CG2 . 27305 1 446 . 1 1 41 41 VAL N N 15 119.039 0.052 . 1 . . . . . 58 VAL N . 27305 1 447 . 1 1 42 42 ASP H H 1 8.261 0.006 . 1 . . . . . 59 ASP H . 27305 1 448 . 1 1 42 42 ASP HA H 1 4.587 0.008 . 1 . . . . . 59 ASP HA . 27305 1 449 . 1 1 42 42 ASP HB2 H 1 2.67 0.004 . 2 . . . . . 59 ASP HB2 . 27305 1 450 . 1 1 42 42 ASP HB3 H 1 2.56 0.002 . 2 . . . . . 59 ASP HB3 . 27305 1 451 . 1 1 42 42 ASP C C 13 175.84 0 . 1 . . . . . 59 ASP C . 27305 1 452 . 1 1 42 42 ASP CA C 13 53.954 0.015 . 1 . . . . . 59 ASP CA . 27305 1 453 . 1 1 42 42 ASP CB C 13 41.357 0.061 . 1 . . . . . 59 ASP CB . 27305 1 454 . 1 1 42 42 ASP N N 15 123.279 0.023 . 1 . . . . . 59 ASP N . 27305 1 455 . 1 1 43 43 TYR H H 1 8.152 0.004 . 1 . . . . . 60 TYR H . 27305 1 456 . 1 1 43 43 TYR HA H 1 4.382 0.004 . 1 . . . . . 60 TYR HA . 27305 1 457 . 1 1 43 43 TYR HB2 H 1 2.913 0.015 . 2 . . . . . 60 TYR HB2 . 27305 1 458 . 1 1 43 43 TYR HB3 H 1 2.757 0.021 . 2 . . . . . 60 TYR HB3 . 27305 1 459 . 1 1 43 43 TYR HD1 H 1 7.031 0.012 . 3 . . . . . 60 TYR HD . 27305 1 460 . 1 1 43 43 TYR HD2 H 1 7.031 0.012 . 3 . . . . . 60 TYR HD . 27305 1 461 . 1 1 43 43 TYR HE1 H 1 6.815 0.011 . 3 . . . . . 60 TYR HE . 27305 1 462 . 1 1 43 43 TYR HE2 H 1 6.815 0.011 . 3 . . . . . 60 TYR HE . 27305 1 463 . 1 1 43 43 TYR C C 13 176.361 0 . 1 . . . . . 60 TYR C . 27305 1 464 . 1 1 43 43 TYR CA C 13 58.24 0.035 . 1 . . . . . 60 TYR CA . 27305 1 465 . 1 1 43 43 TYR CB C 13 38.287 0.062 . 1 . . . . . 60 TYR CB . 27305 1 466 . 1 1 43 43 TYR N N 15 121.566 0.029 . 1 . . . . . 60 TYR N . 27305 1 467 . 1 1 44 44 SER H H 1 8.352 0.004 . 1 . . . . . 61 SER H . 27305 1 468 . 1 1 44 44 SER HA H 1 4.272 0.006 . 1 . . . . . 61 SER HA . 27305 1 469 . 1 1 44 44 SER HB2 H 1 3.848 0.004 . 2 . . . . . 61 SER HB . 27305 1 470 . 1 1 44 44 SER HB3 H 1 3.848 0.004 . 2 . . . . . 61 SER HB . 27305 1 471 . 1 1 44 44 SER C C 13 174.615 0 . 1 . . . . . 61 SER C . 27305 1 472 . 1 1 44 44 SER CA C 13 59.787 0.034 . 1 . . . . . 61 SER CA . 27305 1 473 . 1 1 44 44 SER CB C 13 63.443 0.009 . 1 . . . . . 61 SER CB . 27305 1 474 . 1 1 44 44 SER N N 15 117.635 0.05 . 1 . . . . . 61 SER N . 27305 1 475 . 1 1 45 45 TRP H H 1 7.818 0.01 . 1 . . . . . 62 TRP H . 27305 1 476 . 1 1 45 45 TRP HA H 1 4.609 0.01 . 1 . . . . . 62 TRP HA . 27305 1 477 . 1 1 45 45 TRP HB2 H 1 3.307 0.006 . 2 . . . . . 62 TRP HB . 27305 1 478 . 1 1 45 45 TRP HB3 H 1 3.307 0.006 . 2 . . . . . 62 TRP HB . 27305 1 479 . 1 1 45 45 TRP HD1 H 1 7.276 0.013 . 1 . . . . . 62 TRP HD1 . 27305 1 480 . 1 1 45 45 TRP HE1 H 1 10.184 0.003 . 1 . . . . . 62 TRP HE1 . 27305 1 481 . 1 1 45 45 TRP HE3 H 1 7.594 0.009 . 1 . . . . . 62 TRP HE3 . 27305 1 482 . 1 1 45 45 TRP HZ2 H 1 7.443 0 . 1 . . . . . 62 TRP HZ2 . 27305 1 483 . 1 1 45 45 TRP C C 13 176.211 0 . 1 . . . . . 62 TRP C . 27305 1 484 . 1 1 45 45 TRP CA C 13 57.54 0.055 . 1 . . . . . 62 TRP CA . 27305 1 485 . 1 1 45 45 TRP CB C 13 28.977 0.03 . 1 . . . . . 62 TRP CB . 27305 1 486 . 1 1 45 45 TRP CD1 C 13 127.406 0.211 . 1 . . . . . 62 TRP CD1 . 27305 1 487 . 1 1 45 45 TRP CE2 C 13 138.925 0 . 1 . . . . . 62 TRP CE2 . 27305 1 488 . 1 1 45 45 TRP N N 15 122.061 0.037 . 1 . . . . . 62 TRP N . 27305 1 489 . 1 1 45 45 TRP NE1 N 15 129.92 0.037 . 1 . . . . . 62 TRP NE1 . 27305 1 490 . 1 1 46 46 LEU H H 1 7.593 0.006 . 1 . . . . . 63 LEU H . 27305 1 491 . 1 1 46 46 LEU HA H 1 4.137 0.004 . 1 . . . . . 63 LEU HA . 27305 1 492 . 1 1 46 46 LEU HB2 H 1 1.422 0.007 . 2 . . . . . 63 LEU HB . 27305 1 493 . 1 1 46 46 LEU HB3 H 1 1.422 0.007 . 2 . . . . . 63 LEU HB . 27305 1 494 . 1 1 46 46 LEU HG H 1 1.202 0.009 . 1 . . . . . 63 LEU HG . 27305 1 495 . 1 1 46 46 LEU HD11 H 1 0.801 0.002 . 1 . . . . . 63 LEU HD1 . 27305 1 496 . 1 1 46 46 LEU HD12 H 1 0.801 0.002 . 1 . . . . . 63 LEU HD1 . 27305 1 497 . 1 1 46 46 LEU HD13 H 1 0.801 0.002 . 1 . . . . . 63 LEU HD1 . 27305 1 498 . 1 1 46 46 LEU HD21 H 1 0.727 0.002 . 1 . . . . . 63 LEU HD2 . 27305 1 499 . 1 1 46 46 LEU HD22 H 1 0.727 0.002 . 1 . . . . . 63 LEU HD2 . 27305 1 500 . 1 1 46 46 LEU HD23 H 1 0.727 0.002 . 1 . . . . . 63 LEU HD2 . 27305 1 501 . 1 1 46 46 LEU C C 13 176.821 0 . 1 . . . . . 63 LEU C . 27305 1 502 . 1 1 46 46 LEU CA C 13 55.303 0.046 . 1 . . . . . 63 LEU CA . 27305 1 503 . 1 1 46 46 LEU CB C 13 42.49 0.028 . 1 . . . . . 63 LEU CB . 27305 1 504 . 1 1 46 46 LEU CG C 13 26.778 0.073 . 1 . . . . . 63 LEU CG . 27305 1 505 . 1 1 46 46 LEU CD1 C 13 25.103 0.057 . 1 . . . . . 63 LEU CD1 . 27305 1 506 . 1 1 46 46 LEU CD2 C 13 23.691 0.028 . 1 . . . . . 63 LEU CD2 . 27305 1 507 . 1 1 46 46 LEU N N 15 123.006 0.049 . 1 . . . . . 63 LEU N . 27305 1 508 . 1 1 47 47 ALA H H 1 7.945 0.005 . 1 . . . . . 64 ALA H . 27305 1 509 . 1 1 47 47 ALA HA H 1 4.259 0.008 . 1 . . . . . 64 ALA HA . 27305 1 510 . 1 1 47 47 ALA HB1 H 1 1.386 0.004 . 1 . . . . . 64 ALA HB . 27305 1 511 . 1 1 47 47 ALA HB2 H 1 1.386 0.004 . 1 . . . . . 64 ALA HB . 27305 1 512 . 1 1 47 47 ALA HB3 H 1 1.386 0.004 . 1 . . . . . 64 ALA HB . 27305 1 513 . 1 1 47 47 ALA C C 13 177.553 0 . 1 . . . . . 64 ALA C . 27305 1 514 . 1 1 47 47 ALA CA C 13 52.638 0.028 . 1 . . . . . 64 ALA CA . 27305 1 515 . 1 1 47 47 ALA CB C 13 19.263 0.045 . 1 . . . . . 64 ALA CB . 27305 1 516 . 1 1 47 47 ALA N N 15 123.645 0.051 . 1 . . . . . 64 ALA N . 27305 1 517 . 1 1 48 48 SER H H 1 8.081 0.004 . 1 . . . . . 65 SER H . 27305 1 518 . 1 1 48 48 SER HA H 1 4.479 0.007 . 1 . . . . . 65 SER HA . 27305 1 519 . 1 1 48 48 SER HB2 H 1 3.866 0.007 . 2 . . . . . 65 SER HB . 27305 1 520 . 1 1 48 48 SER HB3 H 1 3.866 0.007 . 2 . . . . . 65 SER HB . 27305 1 521 . 1 1 48 48 SER C C 13 174.203 0 . 1 . . . . . 65 SER C . 27305 1 522 . 1 1 48 48 SER CA C 13 58.279 0.012 . 1 . . . . . 65 SER CA . 27305 1 523 . 1 1 48 48 SER CB C 13 63.879 0 . 1 . . . . . 65 SER CB . 27305 1 524 . 1 1 48 48 SER N N 15 114.389 0.066 . 1 . . . . . 65 SER N . 27305 1 525 . 1 1 49 49 THR H H 1 8.097 0.004 . 1 . . . . . 66 THR H . 27305 1 526 . 1 1 49 49 THR HA H 1 4.656 0.021 . 1 . . . . . 66 THR HA . 27305 1 527 . 1 1 49 49 THR HB H 1 4.2 0.01 . 1 . . . . . 66 THR HB . 27305 1 528 . 1 1 49 49 THR HG21 H 1 1.241 0.011 . 1 . . . . . 66 THR HG2 . 27305 1 529 . 1 1 49 49 THR HG22 H 1 1.241 0.011 . 1 . . . . . 66 THR HG2 . 27305 1 530 . 1 1 49 49 THR HG23 H 1 1.241 0.011 . 1 . . . . . 66 THR HG2 . 27305 1 531 . 1 1 49 49 THR CA C 13 59.767 0.051 . 1 . . . . . 66 THR CA . 27305 1 532 . 1 1 49 49 THR CB C 13 69.671 0.039 . 1 . . . . . 66 THR CB . 27305 1 533 . 1 1 49 49 THR CG2 C 13 21.559 0.056 . 1 . . . . . 66 THR CG2 . 27305 1 534 . 1 1 49 49 THR N N 15 117.458 0.048 . 1 . . . . . 66 THR N . 27305 1 535 . 1 1 50 50 PRO HA H 1 4.428 0.005 . 1 . . . . . 67 PRO HA . 27305 1 536 . 1 1 50 50 PRO HB2 H 1 2.289 0.004 . 2 . . . . . 67 PRO HB2 . 27305 1 537 . 1 1 50 50 PRO HB3 H 1 1.951 0.01 . 2 . . . . . 67 PRO HB3 . 27305 1 538 . 1 1 50 50 PRO HG2 H 1 2.004 0.012 . 2 . . . . . 67 PRO HG . 27305 1 539 . 1 1 50 50 PRO HG3 H 1 2.004 0.012 . 2 . . . . . 67 PRO HG . 27305 1 540 . 1 1 50 50 PRO HD2 H 1 3.822 0.002 . 2 . . . . . 67 PRO HD2 . 27305 1 541 . 1 1 50 50 PRO HD3 H 1 3.709 0.002 . 2 . . . . . 67 PRO HD3 . 27305 1 542 . 1 1 50 50 PRO C C 13 176.529 0 . 1 . . . . . 67 PRO C . 27305 1 543 . 1 1 50 50 PRO CA C 13 63.463 0.026 . 1 . . . . . 67 PRO CA . 27305 1 544 . 1 1 50 50 PRO CB C 13 32.102 0.016 . 1 . . . . . 67 PRO CB . 27305 1 545 . 1 1 50 50 PRO CG C 13 27.404 0.026 . 1 . . . . . 67 PRO CG . 27305 1 546 . 1 1 50 50 PRO CD C 13 51.012 0.037 . 1 . . . . . 67 PRO CD . 27305 1 547 . 1 1 51 51 ASP H H 1 8.38 0.003 . 1 . . . . . 68 ASP H . 27305 1 548 . 1 1 51 51 ASP HA H 1 4.596 0.006 . 1 . . . . . 68 ASP HA . 27305 1 549 . 1 1 51 51 ASP HB2 H 1 2.711 0 . 2 . . . . . 68 ASP HB2 . 27305 1 550 . 1 1 51 51 ASP HB3 H 1 2.622 0 . 2 . . . . . 68 ASP HB3 . 27305 1 551 . 1 1 51 51 ASP C C 13 176.067 0 . 1 . . . . . 68 ASP C . 27305 1 552 . 1 1 51 51 ASP CA C 13 54.541 0.014 . 1 . . . . . 68 ASP CA . 27305 1 553 . 1 1 51 51 ASP CB C 13 41.199 0.025 . 1 . . . . . 68 ASP CB . 27305 1 554 . 1 1 51 51 ASP N N 15 119.985 0.047 . 1 . . . . . 68 ASP N . 27305 1 555 . 1 1 52 52 SER H H 1 8.146 0.004 . 1 . . . . . 69 SER H . 27305 1 556 . 1 1 52 52 SER HA H 1 4.521 0.009 . 1 . . . . . 69 SER HA . 27305 1 557 . 1 1 52 52 SER HB2 H 1 3.87 0.011 . 2 . . . . . 69 SER HB . 27305 1 558 . 1 1 52 52 SER HB3 H 1 3.87 0.011 . 2 . . . . . 69 SER HB . 27305 1 559 . 1 1 52 52 SER C C 13 174.206 0 . 1 . . . . . 69 SER C . 27305 1 560 . 1 1 52 52 SER CA C 13 58.293 0.019 . 1 . . . . . 69 SER CA . 27305 1 561 . 1 1 52 52 SER CB C 13 64.102 0.004 . 1 . . . . . 69 SER CB . 27305 1 562 . 1 1 52 52 SER N N 15 115.894 0.041 . 1 . . . . . 69 SER N . 27305 1 563 . 1 1 53 53 THR H H 1 8.394 0.003 . 1 . . . . . 70 THR H . 27305 1 564 . 1 1 53 53 THR HA H 1 4.477 0.004 . 1 . . . . . 70 THR HA . 27305 1 565 . 1 1 53 53 THR HB H 1 4.15 0.009 . 1 . . . . . 70 THR HB . 27305 1 566 . 1 1 53 53 THR HG21 H 1 1.129 0.016 . 1 . . . . . 70 THR HG2 . 27305 1 567 . 1 1 53 53 THR HG22 H 1 1.129 0.016 . 1 . . . . . 70 THR HG2 . 27305 1 568 . 1 1 53 53 THR HG23 H 1 1.129 0.016 . 1 . . . . . 70 THR HG2 . 27305 1 569 . 1 1 53 53 THR C C 13 173.897 0 . 1 . . . . . 70 THR C . 27305 1 570 . 1 1 53 53 THR CA C 13 61.715 0.027 . 1 . . . . . 70 THR CA . 27305 1 571 . 1 1 53 53 THR CB C 13 70.401 0.06 . 1 . . . . . 70 THR CB . 27305 1 572 . 1 1 53 53 THR CG2 C 13 21.474 0.055 . 1 . . . . . 70 THR CG2 . 27305 1 573 . 1 1 53 53 THR N N 15 116.584 0.051 . 1 . . . . . 70 THR N . 27305 1 574 . 1 1 54 54 TYR H H 1 9.01 0.011 . 1 . . . . . 71 TYR H . 27305 1 575 . 1 1 54 54 TYR HA H 1 4.383 0.004 . 1 . . . . . 71 TYR HA . 27305 1 576 . 1 1 54 54 TYR HB2 H 1 2.869 0.017 . 2 . . . . . 71 TYR HB . 27305 1 577 . 1 1 54 54 TYR HB3 H 1 2.869 0.017 . 2 . . . . . 71 TYR HB . 27305 1 578 . 1 1 54 54 TYR HD1 H 1 6.974 0.024 . 3 . . . . . 71 TYR HD . 27305 1 579 . 1 1 54 54 TYR HD2 H 1 6.974 0.024 . 3 . . . . . 71 TYR HD . 27305 1 580 . 1 1 54 54 TYR HE1 H 1 6.806 0.018 . 3 . . . . . 71 TYR HE . 27305 1 581 . 1 1 54 54 TYR HE2 H 1 6.806 0.018 . 3 . . . . . 71 TYR HE . 27305 1 582 . 1 1 54 54 TYR C C 13 173.926 0 . 1 . . . . . 71 TYR C . 27305 1 583 . 1 1 54 54 TYR CA C 13 58.796 0.048 . 1 . . . . . 71 TYR CA . 27305 1 584 . 1 1 54 54 TYR CB C 13 39.565 0.045 . 1 . . . . . 71 TYR CB . 27305 1 585 . 1 1 54 54 TYR CE1 C 13 118.127 0.013 . 3 . . . . . 71 TYR CE . 27305 1 586 . 1 1 54 54 TYR CE2 C 13 118.127 0.013 . 3 . . . . . 71 TYR CE . 27305 1 587 . 1 1 54 54 TYR N N 15 126.012 0.084 . 1 . . . . . 71 TYR N . 27305 1 588 . 1 1 55 55 ASP H H 1 7.518 0.007 . 1 . . . . . 72 ASP H . 27305 1 589 . 1 1 55 55 ASP HA H 1 4.667 0.008 . 1 . . . . . 72 ASP HA . 27305 1 590 . 1 1 55 55 ASP HB2 H 1 2.462 0 . 2 . . . . . 72 ASP HB2 . 27305 1 591 . 1 1 55 55 ASP HB3 H 1 2.356 0 . 2 . . . . . 72 ASP HB3 . 27305 1 592 . 1 1 55 55 ASP C C 13 174.784 0 . 1 . . . . . 72 ASP C . 27305 1 593 . 1 1 55 55 ASP CA C 13 52.529 0.031 . 1 . . . . . 72 ASP CA . 27305 1 594 . 1 1 55 55 ASP CB C 13 43.426 0.005 . 1 . . . . . 72 ASP CB . 27305 1 595 . 1 1 55 55 ASP N N 15 125.175 0.054 . 1 . . . . . 72 ASP N . 27305 1 596 . 1 1 56 56 LEU H H 1 8.333 0.008 . 1 . . . . . 73 LEU H . 27305 1 597 . 1 1 56 56 LEU HA H 1 4.244 0.013 . 1 . . . . . 73 LEU HA . 27305 1 598 . 1 1 56 56 LEU HB2 H 1 1.472 0.012 . 2 . . . . . 73 LEU HB . 27305 1 599 . 1 1 56 56 LEU HB3 H 1 1.472 0.012 . 2 . . . . . 73 LEU HB . 27305 1 600 . 1 1 56 56 LEU HG H 1 1.678 0.009 . 1 . . . . . 73 LEU HG . 27305 1 601 . 1 1 56 56 LEU HD11 H 1 0.827 0.007 . 1 . . . . . 73 LEU HD1 . 27305 1 602 . 1 1 56 56 LEU HD12 H 1 0.827 0.007 . 1 . . . . . 73 LEU HD1 . 27305 1 603 . 1 1 56 56 LEU HD13 H 1 0.827 0.007 . 1 . . . . . 73 LEU HD1 . 27305 1 604 . 1 1 56 56 LEU HD21 H 1 0.883 0.007 . 1 . . . . . 73 LEU HD2 . 27305 1 605 . 1 1 56 56 LEU HD22 H 1 0.883 0.007 . 1 . . . . . 73 LEU HD2 . 27305 1 606 . 1 1 56 56 LEU HD23 H 1 0.883 0.007 . 1 . . . . . 73 LEU HD2 . 27305 1 607 . 1 1 56 56 LEU C C 13 177.494 0 . 1 . . . . . 73 LEU C . 27305 1 608 . 1 1 56 56 LEU CA C 13 54.401 0.046 . 1 . . . . . 73 LEU CA . 27305 1 609 . 1 1 56 56 LEU CB C 13 43.27 0.052 . 1 . . . . . 73 LEU CB . 27305 1 610 . 1 1 56 56 LEU CG C 13 26.942 0 . 1 . . . . . 73 LEU CG . 27305 1 611 . 1 1 56 56 LEU CD1 C 13 25.734 0.039 . 1 . . . . . 73 LEU CD1 . 27305 1 612 . 1 1 56 56 LEU CD2 C 13 23.699 0.041 . 1 . . . . . 73 LEU CD2 . 27305 1 613 . 1 1 56 56 LEU N N 15 120.66 0.02 . 1 . . . . . 73 LEU N . 27305 1 614 . 1 1 57 57 SER H H 1 9.148 0.006 . 1 . . . . . 74 SER H . 27305 1 615 . 1 1 57 57 SER HA H 1 4.648 0.002 . 1 . . . . . 74 SER HA . 27305 1 616 . 1 1 57 57 SER HB2 H 1 4.001 0 . 2 . . . . . 74 SER HB . 27305 1 617 . 1 1 57 57 SER HB3 H 1 4.001 0 . 2 . . . . . 74 SER HB . 27305 1 618 . 1 1 57 57 SER CA C 13 56.73 0.011 . 1 . . . . . 74 SER CA . 27305 1 619 . 1 1 57 57 SER CB C 13 62.819 0 . 1 . . . . . 74 SER CB . 27305 1 620 . 1 1 57 57 SER N N 15 122.628 0.029 . 1 . . . . . 74 SER N . 27305 1 621 . 1 1 58 58 PRO HA H 1 4.218 0.003 . 1 . . . . . 75 PRO HA . 27305 1 622 . 1 1 58 58 PRO HB2 H 1 2.036 0.01 . 2 . . . . . 75 PRO HB . 27305 1 623 . 1 1 58 58 PRO HB3 H 1 2.036 0.01 . 2 . . . . . 75 PRO HB . 27305 1 624 . 1 1 58 58 PRO C C 13 179.163 0 . 1 . . . . . 75 PRO C . 27305 1 625 . 1 1 58 58 PRO CA C 13 65.918 0.014 . 1 . . . . . 75 PRO CA . 27305 1 626 . 1 1 58 58 PRO CB C 13 31.901 0 . 1 . . . . . 75 PRO CB . 27305 1 627 . 1 1 59 59 ILE H H 1 7.642 0.009 . 1 . . . . . 76 ILE H . 27305 1 628 . 1 1 59 59 ILE HA H 1 3.921 0.01 . 1 . . . . . 76 ILE HA . 27305 1 629 . 1 1 59 59 ILE HB H 1 1.795 0.01 . 1 . . . . . 76 ILE HB . 27305 1 630 . 1 1 59 59 ILE HG12 H 1 1.535 0.012 . 2 . . . . . 76 ILE HG12 . 27305 1 631 . 1 1 59 59 ILE HG13 H 1 1.291 0.01 . 2 . . . . . 76 ILE HG13 . 27305 1 632 . 1 1 59 59 ILE HG21 H 1 0.904 0.004 . 1 . . . . . 76 ILE HG2 . 27305 1 633 . 1 1 59 59 ILE HG22 H 1 0.904 0.004 . 1 . . . . . 76 ILE HG2 . 27305 1 634 . 1 1 59 59 ILE HG23 H 1 0.904 0.004 . 1 . . . . . 76 ILE HG2 . 27305 1 635 . 1 1 59 59 ILE HD11 H 1 0.891 0.002 . 1 . . . . . 76 ILE HD1 . 27305 1 636 . 1 1 59 59 ILE HD12 H 1 0.891 0.002 . 1 . . . . . 76 ILE HD1 . 27305 1 637 . 1 1 59 59 ILE HD13 H 1 0.891 0.002 . 1 . . . . . 76 ILE HD1 . 27305 1 638 . 1 1 59 59 ILE C C 13 177.56 0 . 1 . . . . . 76 ILE C . 27305 1 639 . 1 1 59 59 ILE CA C 13 63.583 0.051 . 1 . . . . . 76 ILE CA . 27305 1 640 . 1 1 59 59 ILE CB C 13 37.795 0.058 . 1 . . . . . 76 ILE CB . 27305 1 641 . 1 1 59 59 ILE CG1 C 13 28.964 0.039 . 1 . . . . . 76 ILE CG1 . 27305 1 642 . 1 1 59 59 ILE CG2 C 13 17.395 0.042 . 1 . . . . . 76 ILE CG2 . 27305 1 643 . 1 1 59 59 ILE CD1 C 13 12.636 0.026 . 1 . . . . . 76 ILE CD1 . 27305 1 644 . 1 1 59 59 ILE N N 15 115.753 0.033 . 1 . . . . . 76 ILE N . 27305 1 645 . 1 1 60 60 GLU H H 1 7.502 0.005 . 1 . . . . . 77 GLU H . 27305 1 646 . 1 1 60 60 GLU HA H 1 4.047 0.005 . 1 . . . . . 77 GLU HA . 27305 1 647 . 1 1 60 60 GLU HB2 H 1 2.036 0.016 . 2 . . . . . 77 GLU HB . 27305 1 648 . 1 1 60 60 GLU HB3 H 1 2.036 0.016 . 2 . . . . . 77 GLU HB . 27305 1 649 . 1 1 60 60 GLU HG2 H 1 2.281 0 . 2 . . . . . 77 GLU HG . 27305 1 650 . 1 1 60 60 GLU HG3 H 1 2.281 0 . 2 . . . . . 77 GLU HG . 27305 1 651 . 1 1 60 60 GLU C C 13 178.929 0 . 1 . . . . . 77 GLU C . 27305 1 652 . 1 1 60 60 GLU CA C 13 59.309 0.033 . 1 . . . . . 77 GLU CA . 27305 1 653 . 1 1 60 60 GLU CB C 13 29.862 0 . 1 . . . . . 77 GLU CB . 27305 1 654 . 1 1 60 60 GLU N N 15 122.731 0.04 . 1 . . . . . 77 GLU N . 27305 1 655 . 1 1 61 61 ARG H H 1 8.623 0.006 . 1 . . . . . 78 ARG H . 27305 1 656 . 1 1 61 61 ARG HA H 1 3.74 0.008 . 1 . . . . . 78 ARG HA . 27305 1 657 . 1 1 61 61 ARG HB2 H 1 1.862 0.005 . 2 . . . . . 78 ARG HB . 27305 1 658 . 1 1 61 61 ARG HB3 H 1 1.862 0.005 . 2 . . . . . 78 ARG HB . 27305 1 659 . 1 1 61 61 ARG HG2 H 1 1.727 0.014 . 2 . . . . . 78 ARG HG . 27305 1 660 . 1 1 61 61 ARG HG3 H 1 1.727 0.014 . 2 . . . . . 78 ARG HG . 27305 1 661 . 1 1 61 61 ARG HD2 H 1 3.234 0.014 . 2 . . . . . 78 ARG HD2 . 27305 1 662 . 1 1 61 61 ARG HD3 H 1 3.111 0.006 . 2 . . . . . 78 ARG HD3 . 27305 1 663 . 1 1 61 61 ARG C C 13 177.622 0 . 1 . . . . . 78 ARG C . 27305 1 664 . 1 1 61 61 ARG CA C 13 60.688 0.069 . 1 . . . . . 78 ARG CA . 27305 1 665 . 1 1 61 61 ARG CB C 13 29.996 0.015 . 1 . . . . . 78 ARG CB . 27305 1 666 . 1 1 61 61 ARG CG C 13 29.942 0.032 . 1 . . . . . 78 ARG CG . 27305 1 667 . 1 1 61 61 ARG CD C 13 43.09 0 . 1 . . . . . 78 ARG CD . 27305 1 668 . 1 1 61 61 ARG N N 15 118.746 0.033 . 1 . . . . . 78 ARG N . 27305 1 669 . 1 1 62 62 LEU H H 1 7.872 0.008 . 1 . . . . . 79 LEU H . 27305 1 670 . 1 1 62 62 LEU HA H 1 4.088 0.009 . 1 . . . . . 79 LEU HA . 27305 1 671 . 1 1 62 62 LEU HG H 1 1.446 0.01 . 1 . . . . . 79 LEU HG . 27305 1 672 . 1 1 62 62 LEU HD11 H 1 0.808 0 . 1 . . . . . 79 LEU HD1 . 27305 1 673 . 1 1 62 62 LEU HD12 H 1 0.808 0 . 1 . . . . . 79 LEU HD1 . 27305 1 674 . 1 1 62 62 LEU HD13 H 1 0.808 0 . 1 . . . . . 79 LEU HD1 . 27305 1 675 . 1 1 62 62 LEU HD21 H 1 0.906 0.005 . 1 . . . . . 79 LEU HD2 . 27305 1 676 . 1 1 62 62 LEU HD22 H 1 0.906 0.005 . 1 . . . . . 79 LEU HD2 . 27305 1 677 . 1 1 62 62 LEU HD23 H 1 0.906 0.005 . 1 . . . . . 79 LEU HD2 . 27305 1 678 . 1 1 62 62 LEU CA C 13 58.324 0.021 . 1 . . . . . 79 LEU CA . 27305 1 679 . 1 1 62 62 LEU CB C 13 42.024 0 . 1 . . . . . 79 LEU CB . 27305 1 680 . 1 1 62 62 LEU CD1 C 13 25.656 0 . 1 . . . . . 79 LEU CD1 . 27305 1 681 . 1 1 62 62 LEU CD2 C 13 24.086 0.074 . 1 . . . . . 79 LEU CD2 . 27305 1 682 . 1 1 62 62 LEU N N 15 118.89 0.04 . 1 . . . . . 79 LEU N . 27305 1 683 . 1 1 63 63 GLN H H 1 7.851 0.006 . 1 . . . . . 80 GLN H . 27305 1 684 . 1 1 63 63 GLN HA H 1 4.039 0.02 . 1 . . . . . 80 GLN HA . 27305 1 685 . 1 1 63 63 GLN HB2 H 1 2.075 0.005 . 2 . . . . . 80 GLN HB . 27305 1 686 . 1 1 63 63 GLN HB3 H 1 2.075 0.005 . 2 . . . . . 80 GLN HB . 27305 1 687 . 1 1 63 63 GLN HG2 H 1 2.698 0.002 . 2 . . . . . 80 GLN HG2 . 27305 1 688 . 1 1 63 63 GLN HG3 H 1 2.353 0.032 . 2 . . . . . 80 GLN HG3 . 27305 1 689 . 1 1 63 63 GLN HE21 H 1 7.354 0.003 . 2 . . . . . 80 GLN HE21 . 27305 1 690 . 1 1 63 63 GLN HE22 H 1 6.749 0.011 . 2 . . . . . 80 GLN HE22 . 27305 1 691 . 1 1 63 63 GLN C C 13 179.673 0 . 1 . . . . . 80 GLN C . 27305 1 692 . 1 1 63 63 GLN CA C 13 58.921 0.064 . 1 . . . . . 80 GLN CA . 27305 1 693 . 1 1 63 63 GLN CB C 13 28.349 0.033 . 1 . . . . . 80 GLN CB . 27305 1 694 . 1 1 63 63 GLN CG C 13 34.061 0 . 1 . . . . . 80 GLN CG . 27305 1 695 . 1 1 63 63 GLN CD C 13 179.976 0.006 . 1 . . . . . 80 GLN CD . 27305 1 696 . 1 1 63 63 GLN N N 15 117.439 0.034 . 1 . . . . . 80 GLN N . 27305 1 697 . 1 1 63 63 GLN NE2 N 15 110.59 0.026 . 1 . . . . . 80 GLN NE2 . 27305 1 698 . 1 1 64 64 LEU H H 1 8.173 0.009 . 1 . . . . . 81 LEU H . 27305 1 699 . 1 1 64 64 LEU HA H 1 4.142 0.005 . 1 . . . . . 81 LEU HA . 27305 1 700 . 1 1 64 64 LEU HB2 H 1 2.235 0.009 . 2 . . . . . 81 LEU HB . 27305 1 701 . 1 1 64 64 LEU HB3 H 1 2.235 0.009 . 2 . . . . . 81 LEU HB . 27305 1 702 . 1 1 64 64 LEU HG H 1 1.999 0.011 . 1 . . . . . 81 LEU HG . 27305 1 703 . 1 1 64 64 LEU HD11 H 1 0.991 0.002 . 1 . . . . . 81 LEU HD1 . 27305 1 704 . 1 1 64 64 LEU HD12 H 1 0.991 0.002 . 1 . . . . . 81 LEU HD1 . 27305 1 705 . 1 1 64 64 LEU HD13 H 1 0.991 0.002 . 1 . . . . . 81 LEU HD1 . 27305 1 706 . 1 1 64 64 LEU HD21 H 1 0.954 0.011 . 1 . . . . . 81 LEU HD2 . 27305 1 707 . 1 1 64 64 LEU HD22 H 1 0.954 0.011 . 1 . . . . . 81 LEU HD2 . 27305 1 708 . 1 1 64 64 LEU HD23 H 1 0.954 0.011 . 1 . . . . . 81 LEU HD2 . 27305 1 709 . 1 1 64 64 LEU C C 13 179.717 0 . 1 . . . . . 81 LEU C . 27305 1 710 . 1 1 64 64 LEU CA C 13 57.813 0.001 . 1 . . . . . 81 LEU CA . 27305 1 711 . 1 1 64 64 LEU CD1 C 13 23.457 0 . 1 . . . . . 81 LEU CD1 . 27305 1 712 . 1 1 64 64 LEU CD2 C 13 23.463 0 . 1 . . . . . 81 LEU CD2 . 27305 1 713 . 1 1 64 64 LEU N N 15 119.599 0.048 . 1 . . . . . 81 LEU N . 27305 1 714 . 1 1 65 65 GLU H H 1 8.917 0.004 . 1 . . . . . 82 GLU H . 27305 1 715 . 1 1 65 65 GLU HA H 1 3.786 0.013 . 1 . . . . . 82 GLU HA . 27305 1 716 . 1 1 65 65 GLU HB2 H 1 2.052 0.015 . 2 . . . . . 82 GLU HB . 27305 1 717 . 1 1 65 65 GLU HB3 H 1 2.052 0.015 . 2 . . . . . 82 GLU HB . 27305 1 718 . 1 1 65 65 GLU HG2 H 1 2.238 0 . 2 . . . . . 82 GLU HG . 27305 1 719 . 1 1 65 65 GLU HG3 H 1 2.238 0 . 2 . . . . . 82 GLU HG . 27305 1 720 . 1 1 65 65 GLU C C 13 178.323 0 . 1 . . . . . 82 GLU C . 27305 1 721 . 1 1 65 65 GLU CA C 13 60.878 0.017 . 1 . . . . . 82 GLU CA . 27305 1 722 . 1 1 65 65 GLU CB C 13 29.339 0.013 . 1 . . . . . 82 GLU CB . 27305 1 723 . 1 1 65 65 GLU N N 15 122.574 0.029 . 1 . . . . . 82 GLU N . 27305 1 724 . 1 1 66 66 ASP H H 1 7.693 0.004 . 1 . . . . . 83 ASP H . 27305 1 725 . 1 1 66 66 ASP HA H 1 4.4 0.009 . 1 . . . . . 83 ASP HA . 27305 1 726 . 1 1 66 66 ASP HB2 H 1 2.82 0.015 . 2 . . . . . 83 ASP HB2 . 27305 1 727 . 1 1 66 66 ASP HB3 H 1 2.645 0.012 . 2 . . . . . 83 ASP HB3 . 27305 1 728 . 1 1 66 66 ASP C C 13 177.479 0 . 1 . . . . . 83 ASP C . 27305 1 729 . 1 1 66 66 ASP CA C 13 56.921 0.053 . 1 . . . . . 83 ASP CA . 27305 1 730 . 1 1 66 66 ASP CB C 13 41.556 0.069 . 1 . . . . . 83 ASP CB . 27305 1 731 . 1 1 66 66 ASP N N 15 116.476 0.045 . 1 . . . . . 83 ASP N . 27305 1 732 . 1 1 67 67 VAL H H 1 7.272 0.011 . 1 . . . . . 84 VAL H . 27305 1 733 . 1 1 67 67 VAL HA H 1 3.8 0.014 . 1 . . . . . 84 VAL HA . 27305 1 734 . 1 1 67 67 VAL HB H 1 2.134 0.007 . 1 . . . . . 84 VAL HB . 27305 1 735 . 1 1 67 67 VAL HG11 H 1 0.9 0.007 . 1 . . . . . 84 VAL HG1 . 27305 1 736 . 1 1 67 67 VAL HG12 H 1 0.9 0.007 . 1 . . . . . 84 VAL HG1 . 27305 1 737 . 1 1 67 67 VAL HG13 H 1 0.9 0.007 . 1 . . . . . 84 VAL HG1 . 27305 1 738 . 1 1 67 67 VAL HG21 H 1 1.06 0.01 . 1 . . . . . 84 VAL HG2 . 27305 1 739 . 1 1 67 67 VAL HG22 H 1 1.06 0.01 . 1 . . . . . 84 VAL HG2 . 27305 1 740 . 1 1 67 67 VAL HG23 H 1 1.06 0.01 . 1 . . . . . 84 VAL HG2 . 27305 1 741 . 1 1 67 67 VAL C C 13 177.846 0 . 1 . . . . . 84 VAL C . 27305 1 742 . 1 1 67 67 VAL CA C 13 65.586 0.029 . 1 . . . . . 84 VAL CA . 27305 1 743 . 1 1 67 67 VAL CB C 13 31.975 0.02 . 1 . . . . . 84 VAL CB . 27305 1 744 . 1 1 67 67 VAL CG1 C 13 23.093 0.037 . 1 . . . . . 84 VAL CG1 . 27305 1 745 . 1 1 67 67 VAL CG2 C 13 22.031 0.029 . 1 . . . . . 84 VAL CG2 . 27305 1 746 . 1 1 67 67 VAL N N 15 116.963 0.044 . 1 . . . . . 84 VAL N . 27305 1 747 . 1 1 68 68 CYS H H 1 8.402 0.003 . 1 . . . . . 85 CYS H . 27305 1 748 . 1 1 68 68 CYS HA H 1 3.825 0.016 . 1 . . . . . 85 CYS HA . 27305 1 749 . 1 1 68 68 CYS HB2 H 1 3.223 0.015 . 2 . . . . . 85 CYS HB2 . 27305 1 750 . 1 1 68 68 CYS HB3 H 1 2.539 0.017 . 2 . . . . . 85 CYS HB3 . 27305 1 751 . 1 1 68 68 CYS C C 13 176.331 0 . 1 . . . . . 85 CYS C . 27305 1 752 . 1 1 68 68 CYS CA C 13 64.903 0.023 . 1 . . . . . 85 CYS CA . 27305 1 753 . 1 1 68 68 CYS CB C 13 28.238 0.031 . 1 . . . . . 85 CYS CB . 27305 1 754 . 1 1 68 68 CYS N N 15 116.464 0.083 . 1 . . . . . 85 CYS N . 27305 1 755 . 1 1 69 69 VAL H H 1 7.367 0.004 . 1 . . . . . 86 VAL H . 27305 1 756 . 1 1 69 69 VAL HA H 1 4.008 0.007 . 1 . . . . . 86 VAL HA . 27305 1 757 . 1 1 69 69 VAL HB H 1 2.297 0.009 . 1 . . . . . 86 VAL HB . 27305 1 758 . 1 1 69 69 VAL HG11 H 1 1.076 0.004 . 1 . . . . . 86 VAL HG1 . 27305 1 759 . 1 1 69 69 VAL HG12 H 1 1.076 0.004 . 1 . . . . . 86 VAL HG1 . 27305 1 760 . 1 1 69 69 VAL HG13 H 1 1.076 0.004 . 1 . . . . . 86 VAL HG1 . 27305 1 761 . 1 1 69 69 VAL HG21 H 1 1.046 0.002 . 1 . . . . . 86 VAL HG2 . 27305 1 762 . 1 1 69 69 VAL HG22 H 1 1.046 0.002 . 1 . . . . . 86 VAL HG2 . 27305 1 763 . 1 1 69 69 VAL HG23 H 1 1.046 0.002 . 1 . . . . . 86 VAL HG2 . 27305 1 764 . 1 1 69 69 VAL C C 13 176.877 0 . 1 . . . . . 86 VAL C . 27305 1 765 . 1 1 69 69 VAL CA C 13 63.822 0.096 . 1 . . . . . 86 VAL CA . 27305 1 766 . 1 1 69 69 VAL CB C 13 31.848 0.092 . 1 . . . . . 86 VAL CB . 27305 1 767 . 1 1 69 69 VAL CG1 C 13 21.429 0.021 . 1 . . . . . 86 VAL CG1 . 27305 1 768 . 1 1 69 69 VAL CG2 C 13 20.407 0.036 . 1 . . . . . 86 VAL CG2 . 27305 1 769 . 1 1 69 69 VAL N N 15 107.884 0.025 . 1 . . . . . 86 VAL N . 27305 1 770 . 1 1 70 70 LYS H H 1 7.566 0.011 . 1 . . . . . 87 LYS H . 27305 1 771 . 1 1 70 70 LYS HA H 1 4.12 0.019 . 1 . . . . . 87 LYS HA . 27305 1 772 . 1 1 70 70 LYS HB2 H 1 1.668 0.009 . 2 . . . . . 87 LYS HB . 27305 1 773 . 1 1 70 70 LYS HB3 H 1 1.668 0.009 . 2 . . . . . 87 LYS HB . 27305 1 774 . 1 1 70 70 LYS C C 13 176.843 0 . 1 . . . . . 87 LYS C . 27305 1 775 . 1 1 70 70 LYS CA C 13 56.676 0 . 1 . . . . . 87 LYS CA . 27305 1 776 . 1 1 70 70 LYS N N 15 120.048 0.012 . 1 . . . . . 87 LYS N . 27305 1 777 . 1 1 71 71 ILE H H 1 7.363 0.01 . 1 . . . . . 88 ILE H . 27305 1 778 . 1 1 71 71 ILE HA H 1 3.64 0.015 . 1 . . . . . 88 ILE HA . 27305 1 779 . 1 1 71 71 ILE HB H 1 2.207 0.009 . 1 . . . . . 88 ILE HB . 27305 1 780 . 1 1 71 71 ILE HG12 H 1 1.606 0.012 . 2 . . . . . 88 ILE HG12 . 27305 1 781 . 1 1 71 71 ILE HG13 H 1 1.258 0.014 . 2 . . . . . 88 ILE HG13 . 27305 1 782 . 1 1 71 71 ILE HG21 H 1 0.837 0.01 . 1 . . . . . 88 ILE HG2 . 27305 1 783 . 1 1 71 71 ILE HG22 H 1 0.837 0.01 . 1 . . . . . 88 ILE HG2 . 27305 1 784 . 1 1 71 71 ILE HG23 H 1 0.837 0.01 . 1 . . . . . 88 ILE HG2 . 27305 1 785 . 1 1 71 71 ILE HD11 H 1 0.618 0.01 . 1 . . . . . 88 ILE HD1 . 27305 1 786 . 1 1 71 71 ILE HD12 H 1 0.618 0.01 . 1 . . . . . 88 ILE HD1 . 27305 1 787 . 1 1 71 71 ILE HD13 H 1 0.618 0.01 . 1 . . . . . 88 ILE HD1 . 27305 1 788 . 1 1 71 71 ILE C C 13 174.952 0 . 1 . . . . . 88 ILE C . 27305 1 789 . 1 1 71 71 ILE CA C 13 60.056 0.021 . 1 . . . . . 88 ILE CA . 27305 1 790 . 1 1 71 71 ILE CB C 13 35.952 0.038 . 1 . . . . . 88 ILE CB . 27305 1 791 . 1 1 71 71 ILE CG1 C 13 27.041 0.06 . 1 . . . . . 88 ILE CG1 . 27305 1 792 . 1 1 71 71 ILE CG2 C 13 16.805 0.033 . 1 . . . . . 88 ILE CG2 . 27305 1 793 . 1 1 71 71 ILE CD1 C 13 10.747 0.02 . 1 . . . . . 88 ILE CD1 . 27305 1 794 . 1 1 71 71 ILE N N 15 119.713 0.029 . 1 . . . . . 88 ILE N . 27305 1 795 . 1 1 72 72 HIS H H 1 7.115 0.004 . 1 . . . . . 89 HIS H . 27305 1 796 . 1 1 72 72 HIS HA H 1 4.681 0.01 . 1 . . . . . 89 HIS HA . 27305 1 797 . 1 1 72 72 HIS HB2 H 1 3.316 0.004 . 2 . . . . . 89 HIS HB2 . 27305 1 798 . 1 1 72 72 HIS HB3 H 1 3.142 0.003 . 2 . . . . . 89 HIS HB3 . 27305 1 799 . 1 1 72 72 HIS HD2 H 1 7.26 0 . 1 . . . . . 89 HIS HD2 . 27305 1 800 . 1 1 72 72 HIS CA C 13 56.29 0.003 . 1 . . . . . 89 HIS CA . 27305 1 801 . 1 1 72 72 HIS CB C 13 31.738 0.053 . 1 . . . . . 89 HIS CB . 27305 1 802 . 1 1 72 72 HIS N N 15 128.36 0.035 . 1 . . . . . 89 HIS N . 27305 1 803 . 1 1 73 73 PRO C C 13 178.93 0 . 1 . . . . . 90 PRO C . 27305 1 804 . 1 1 74 74 SER H H 1 10.445 0.011 . 1 . . . . . 91 SER H . 27305 1 805 . 1 1 74 74 SER HA H 1 4.328 0 . 1 . . . . . 91 SER HA . 27305 1 806 . 1 1 74 74 SER C C 13 175.181 0 . 1 . . . . . 91 SER C . 27305 1 807 . 1 1 74 74 SER CA C 13 61.569 0.006 . 1 . . . . . 91 SER CA . 27305 1 808 . 1 1 74 74 SER CB C 13 62.875 0 . 1 . . . . . 91 SER CB . 27305 1 809 . 1 1 74 74 SER N N 15 116.727 0.035 . 1 . . . . . 91 SER N . 27305 1 810 . 1 1 75 75 TYR H H 1 8.735 0.009 . 1 . . . . . 92 TYR H . 27305 1 811 . 1 1 75 75 TYR HA H 1 4.436 0.024 . 1 . . . . . 92 TYR HA . 27305 1 812 . 1 1 75 75 TYR HB2 H 1 3.292 0.016 . 2 . . . . . 92 TYR HB . 27305 1 813 . 1 1 75 75 TYR HB3 H 1 3.292 0.016 . 2 . . . . . 92 TYR HB . 27305 1 814 . 1 1 75 75 TYR HD1 H 1 7.128 0.011 . 3 . . . . . 92 TYR HD . 27305 1 815 . 1 1 75 75 TYR HD2 H 1 7.128 0.011 . 3 . . . . . 92 TYR HD . 27305 1 816 . 1 1 75 75 TYR HE1 H 1 6.72 0.035 . 3 . . . . . 92 TYR HE . 27305 1 817 . 1 1 75 75 TYR HE2 H 1 6.72 0.035 . 3 . . . . . 92 TYR HE . 27305 1 818 . 1 1 75 75 TYR C C 13 175.883 0 . 1 . . . . . 92 TYR C . 27305 1 819 . 1 1 75 75 TYR CA C 13 59.07 0.025 . 1 . . . . . 92 TYR CA . 27305 1 820 . 1 1 75 75 TYR CB C 13 39.244 0.088 . 1 . . . . . 92 TYR CB . 27305 1 821 . 1 1 75 75 TYR N N 15 119.011 0.036 . 1 . . . . . 92 TYR N . 27305 1 822 . 1 1 76 76 CYS H H 1 7.648 0.01 . 1 . . . . . 93 CYS H . 27305 1 823 . 1 1 76 76 CYS HA H 1 3.939 0.009 . 1 . . . . . 93 CYS HA . 27305 1 824 . 1 1 76 76 CYS HB2 H 1 3.108 0.01 . 2 . . . . . 93 CYS HB2 . 27305 1 825 . 1 1 76 76 CYS HB3 H 1 2.903 0.016 . 2 . . . . . 93 CYS HB3 . 27305 1 826 . 1 1 76 76 CYS C C 13 174.83 0 . 1 . . . . . 93 CYS C . 27305 1 827 . 1 1 76 76 CYS CA C 13 64.302 0.048 . 1 . . . . . 93 CYS CA . 27305 1 828 . 1 1 76 76 CYS CB C 13 27.142 0.055 . 1 . . . . . 93 CYS CB . 27305 1 829 . 1 1 76 76 CYS N N 15 121.728 0.054 . 1 . . . . . 93 CYS N . 27305 1 830 . 1 1 77 77 GLY H H 1 9.125 0.006 . 1 . . . . . 94 GLY H . 27305 1 831 . 1 1 77 77 GLY CA C 13 48.193 0 . 1 . . . . . 94 GLY CA . 27305 1 832 . 1 1 77 77 GLY N N 15 105.962 0.04 . 1 . . . . . 94 GLY N . 27305 1 833 . 1 1 78 78 PRO HA H 1 4.058 0 . 1 . . . . . 95 PRO HA . 27305 1 834 . 1 1 78 78 PRO HD2 H 1 3.585 0.005 . 2 . . . . . 95 PRO HD . 27305 1 835 . 1 1 78 78 PRO HD3 H 1 3.585 0.005 . 2 . . . . . 95 PRO HD . 27305 1 836 . 1 1 78 78 PRO C C 13 178.134 0 . 1 . . . . . 95 PRO C . 27305 1 837 . 1 1 78 78 PRO CA C 13 65.637 0.049 . 1 . . . . . 95 PRO CA . 27305 1 838 . 1 1 79 79 ALA H H 1 8.103 0.009 . 1 . . . . . 96 ALA H . 27305 1 839 . 1 1 79 79 ALA HA H 1 4 0.007 . 1 . . . . . 96 ALA HA . 27305 1 840 . 1 1 79 79 ALA HB1 H 1 1.497 0.014 . 1 . . . . . 96 ALA HB . 27305 1 841 . 1 1 79 79 ALA HB2 H 1 1.497 0.014 . 1 . . . . . 96 ALA HB . 27305 1 842 . 1 1 79 79 ALA HB3 H 1 1.497 0.014 . 1 . . . . . 96 ALA HB . 27305 1 843 . 1 1 79 79 ALA CA C 13 55.429 0.065 . 1 . . . . . 96 ALA CA . 27305 1 844 . 1 1 79 79 ALA CB C 13 17.951 0.054 . 1 . . . . . 96 ALA CB . 27305 1 845 . 1 1 79 79 ALA N N 15 120.726 0.052 . 1 . . . . . 96 ALA N . 27305 1 846 . 1 1 80 80 ILE H H 1 8.187 0.014 . 1 . . . . . 97 ILE H . 27305 1 847 . 1 1 80 80 ILE HA H 1 3.709 0.014 . 1 . . . . . 97 ILE HA . 27305 1 848 . 1 1 80 80 ILE HB H 1 2.144 0.012 . 1 . . . . . 97 ILE HB . 27305 1 849 . 1 1 80 80 ILE HG21 H 1 0.952 0.002 . 1 . . . . . 97 ILE HG2 . 27305 1 850 . 1 1 80 80 ILE HG22 H 1 0.952 0.002 . 1 . . . . . 97 ILE HG2 . 27305 1 851 . 1 1 80 80 ILE HG23 H 1 0.952 0.002 . 1 . . . . . 97 ILE HG2 . 27305 1 852 . 1 1 80 80 ILE HD11 H 1 0.937 0.005 . 1 . . . . . 97 ILE HD1 . 27305 1 853 . 1 1 80 80 ILE HD12 H 1 0.937 0.005 . 1 . . . . . 97 ILE HD1 . 27305 1 854 . 1 1 80 80 ILE HD13 H 1 0.937 0.005 . 1 . . . . . 97 ILE HD1 . 27305 1 855 . 1 1 80 80 ILE C C 13 177.945 0 . 1 . . . . . 97 ILE C . 27305 1 856 . 1 1 80 80 ILE CA C 13 66.847 0.059 . 1 . . . . . 97 ILE CA . 27305 1 857 . 1 1 80 80 ILE CB C 13 37.75 0.021 . 1 . . . . . 97 ILE CB . 27305 1 858 . 1 1 80 80 ILE CG2 C 13 16.211 0.012 . 1 . . . . . 97 ILE CG2 . 27305 1 859 . 1 1 80 80 ILE CD1 C 13 13.897 0.028 . 1 . . . . . 97 ILE CD1 . 27305 1 860 . 1 1 80 80 ILE N N 15 119.377 0.102 . 1 . . . . . 97 ILE N . 27305 1 861 . 1 1 81 81 LEU H H 1 8.285 0.01 . 1 . . . . . 98 LEU H . 27305 1 862 . 1 1 81 81 LEU HA H 1 4.137 0.004 . 1 . . . . . 98 LEU HA . 27305 1 863 . 1 1 81 81 LEU HB2 H 1 1.782 0 . 2 . . . . . 98 LEU HB . 27305 1 864 . 1 1 81 81 LEU HB3 H 1 1.782 0 . 2 . . . . . 98 LEU HB . 27305 1 865 . 1 1 81 81 LEU HG H 1 1.55 0.014 . 1 . . . . . 98 LEU HG . 27305 1 866 . 1 1 81 81 LEU HD11 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 867 . 1 1 81 81 LEU HD12 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 868 . 1 1 81 81 LEU HD13 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 869 . 1 1 81 81 LEU HD21 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 870 . 1 1 81 81 LEU HD22 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 871 . 1 1 81 81 LEU HD23 H 1 0.91 0.011 . 1 . . . . . 98 LEU HD . 27305 1 872 . 1 1 81 81 LEU CA C 13 58.529 0.021 . 1 . . . . . 98 LEU CA . 27305 1 873 . 1 1 81 81 LEU CB C 13 41.383 0 . 1 . . . . . 98 LEU CB . 27305 1 874 . 1 1 81 81 LEU CD1 C 13 26.151 0.069 . 1 . . . . . 98 LEU CD . 27305 1 875 . 1 1 81 81 LEU CD2 C 13 26.151 0.069 . 1 . . . . . 98 LEU CD . 27305 1 876 . 1 1 81 81 LEU N N 15 119.176 0.048 . 1 . . . . . 98 LEU N . 27305 1 877 . 1 1 83 83 PHE HB2 H 1 2.873 0.011 . 2 . . . . . 100 PHE HB . 27305 1 878 . 1 1 83 83 PHE HB3 H 1 2.873 0.011 . 2 . . . . . 100 PHE HB . 27305 1 879 . 1 1 83 83 PHE HD1 H 1 7.123 0.02 . 3 . . . . . 100 PHE HD . 27305 1 880 . 1 1 83 83 PHE HD2 H 1 7.123 0.02 . 3 . . . . . 100 PHE HD . 27305 1 881 . 1 1 83 83 PHE HE1 H 1 6.772 0.025 . 3 . . . . . 100 PHE HE . 27305 1 882 . 1 1 83 83 PHE HE2 H 1 6.772 0.025 . 3 . . . . . 100 PHE HE . 27305 1 883 . 1 1 83 83 PHE HZ H 1 7.215 0.022 . 1 . . . . . 100 PHE HZ . 27305 1 884 . 1 1 84 84 ARG HE H 1 8.671 0.011 . 1 . . . . . 101 ARG HE . 27305 1 885 . 1 1 84 84 ARG CD C 13 42.734 0 . 1 . . . . . 101 ARG CD . 27305 1 886 . 1 1 84 84 ARG NE N 15 86.735 0 . 1 . . . . . 101 ARG NE . 27305 1 887 . 1 1 85 85 GLN HA H 1 4.085 0.013 . 1 . . . . . 102 GLN HA . 27305 1 888 . 1 1 85 85 GLN HB2 H 1 2.243 0.008 . 2 . . . . . 102 GLN HB . 27305 1 889 . 1 1 85 85 GLN HB3 H 1 2.243 0.008 . 2 . . . . . 102 GLN HB . 27305 1 890 . 1 1 85 85 GLN HG2 H 1 2.533 0.01 . 2 . . . . . 102 GLN HG . 27305 1 891 . 1 1 85 85 GLN HG3 H 1 2.533 0.01 . 2 . . . . . 102 GLN HG . 27305 1 892 . 1 1 85 85 GLN HE21 H 1 7.775 0.009 . 2 . . . . . 102 GLN HE21 . 27305 1 893 . 1 1 85 85 GLN HE22 H 1 6.759 0.016 . 2 . . . . . 102 GLN HE22 . 27305 1 894 . 1 1 85 85 GLN CA C 13 58.961 0 . 1 . . . . . 102 GLN CA . 27305 1 895 . 1 1 85 85 GLN CB C 13 28.024 0 . 1 . . . . . 102 GLN CB . 27305 1 896 . 1 1 85 85 GLN CG C 13 33.328 0 . 1 . . . . . 102 GLN CG . 27305 1 897 . 1 1 85 85 GLN CD C 13 180.191 0.015 . 1 . . . . . 102 GLN CD . 27305 1 898 . 1 1 85 85 GLN NE2 N 15 111.969 0.04 . 1 . . . . . 102 GLN NE2 . 27305 1 899 . 1 1 86 86 LEU H H 1 8.761 0.005 . 1 . . . . . 103 LEU H . 27305 1 900 . 1 1 86 86 LEU HA H 1 3.704 0.004 . 1 . . . . . 103 LEU HA . 27305 1 901 . 1 1 86 86 LEU HB2 H 1 1.856 0 . 2 . . . . . 103 LEU HB . 27305 1 902 . 1 1 86 86 LEU HB3 H 1 1.856 0 . 2 . . . . . 103 LEU HB . 27305 1 903 . 1 1 86 86 LEU HG H 1 1.221 0.014 . 1 . . . . . 103 LEU HG . 27305 1 904 . 1 1 86 86 LEU HD11 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 905 . 1 1 86 86 LEU HD12 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 906 . 1 1 86 86 LEU HD13 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 907 . 1 1 86 86 LEU HD21 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 908 . 1 1 86 86 LEU HD22 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 909 . 1 1 86 86 LEU HD23 H 1 0.92 0.009 . 1 . . . . . 103 LEU HD . 27305 1 910 . 1 1 86 86 LEU C C 13 179.673 0 . 1 . . . . . 103 LEU C . 27305 1 911 . 1 1 86 86 LEU CA C 13 60.485 0.033 . 1 . . . . . 103 LEU CA . 27305 1 912 . 1 1 86 86 LEU N N 15 116.603 0.038 . 1 . . . . . 103 LEU N . 27305 1 913 . 1 1 87 87 LEU H H 1 8.511 0.009 . 1 . . . . . 104 LEU H . 27305 1 914 . 1 1 87 87 LEU HA H 1 3.647 0.017 . 1 . . . . . 104 LEU HA . 27305 1 915 . 1 1 87 87 LEU HB2 H 1 1.618 0.013 . 2 . . . . . 104 LEU HB2 . 27305 1 916 . 1 1 87 87 LEU HB3 H 1 1.261 0.006 . 2 . . . . . 104 LEU HB3 . 27305 1 917 . 1 1 87 87 LEU HG H 1 1.245 0.01 . 1 . . . . . 104 LEU HG . 27305 1 918 . 1 1 87 87 LEU HD11 H 1 -0.047 0.012 . 1 . . . . . 104 LEU HD1 . 27305 1 919 . 1 1 87 87 LEU HD12 H 1 -0.047 0.012 . 1 . . . . . 104 LEU HD1 . 27305 1 920 . 1 1 87 87 LEU HD13 H 1 -0.047 0.012 . 1 . . . . . 104 LEU HD1 . 27305 1 921 . 1 1 87 87 LEU HD21 H 1 0.647 0.011 . 1 . . . . . 104 LEU HD2 . 27305 1 922 . 1 1 87 87 LEU HD22 H 1 0.647 0.011 . 1 . . . . . 104 LEU HD2 . 27305 1 923 . 1 1 87 87 LEU HD23 H 1 0.647 0.011 . 1 . . . . . 104 LEU HD2 . 27305 1 924 . 1 1 87 87 LEU C C 13 179.878 0 . 1 . . . . . 104 LEU C . 27305 1 925 . 1 1 87 87 LEU CA C 13 58.203 0.047 . 1 . . . . . 104 LEU CA . 27305 1 926 . 1 1 87 87 LEU CB C 13 41.834 0.105 . 1 . . . . . 104 LEU CB . 27305 1 927 . 1 1 87 87 LEU CG C 13 26.344 0.021 . 1 . . . . . 104 LEU CG . 27305 1 928 . 1 1 87 87 LEU CD1 C 13 24.413 0.028 . 1 . . . . . 104 LEU CD1 . 27305 1 929 . 1 1 87 87 LEU CD2 C 13 23.7 0.012 . 1 . . . . . 104 LEU CD2 . 27305 1 930 . 1 1 87 87 LEU N N 15 120.256 0.018 . 1 . . . . . 104 LEU N . 27305 1 931 . 1 1 88 88 ALA H H 1 7.529 0.01 . 1 . . . . . 105 ALA H . 27305 1 932 . 1 1 88 88 ALA HA H 1 4.135 0.01 . 1 . . . . . 105 ALA HA . 27305 1 933 . 1 1 88 88 ALA HB1 H 1 1.522 0.012 . 1 . . . . . 105 ALA HB . 27305 1 934 . 1 1 88 88 ALA HB2 H 1 1.522 0.012 . 1 . . . . . 105 ALA HB . 27305 1 935 . 1 1 88 88 ALA HB3 H 1 1.522 0.012 . 1 . . . . . 105 ALA HB . 27305 1 936 . 1 1 88 88 ALA C C 13 179.321 0 . 1 . . . . . 105 ALA C . 27305 1 937 . 1 1 88 88 ALA CA C 13 54.362 0.053 . 1 . . . . . 105 ALA CA . 27305 1 938 . 1 1 88 88 ALA CB C 13 18.095 0.037 . 1 . . . . . 105 ALA CB . 27305 1 939 . 1 1 88 88 ALA N N 15 120.807 0.027 . 1 . . . . . 105 ALA N . 27305 1 940 . 1 1 89 89 GLU H H 1 7.722 0.005 . 1 . . . . . 106 GLU H . 27305 1 941 . 1 1 89 89 GLU HA H 1 4.133 0.011 . 1 . . . . . 106 GLU HA . 27305 1 942 . 1 1 89 89 GLU HB2 H 1 2.163 0.02 . 2 . . . . . 106 GLU HB . 27305 1 943 . 1 1 89 89 GLU HB3 H 1 2.163 0.02 . 2 . . . . . 106 GLU HB . 27305 1 944 . 1 1 89 89 GLU HG2 H 1 2.563 0.02 . 2 . . . . . 106 GLU HG . 27305 1 945 . 1 1 89 89 GLU HG3 H 1 2.563 0.02 . 2 . . . . . 106 GLU HG . 27305 1 946 . 1 1 89 89 GLU C C 13 178.236 0 . 1 . . . . . 106 GLU C . 27305 1 947 . 1 1 89 89 GLU CA C 13 58.426 0.01 . 1 . . . . . 106 GLU CA . 27305 1 948 . 1 1 89 89 GLU CB C 13 31.271 0.046 . 1 . . . . . 106 GLU CB . 27305 1 949 . 1 1 89 89 GLU CG C 13 36.583 0 . 1 . . . . . 106 GLU CG . 27305 1 950 . 1 1 89 89 GLU N N 15 115.634 0.041 . 1 . . . . . 106 GLU N . 27305 1 951 . 1 1 90 90 GLN H H 1 8.308 0.011 . 1 . . . . . 107 GLN H . 27305 1 952 . 1 1 90 90 GLN HA H 1 4.3 0.012 . 1 . . . . . 107 GLN HA . 27305 1 953 . 1 1 90 90 GLN HB2 H 1 1.817 0.005 . 2 . . . . . 107 GLN HB . 27305 1 954 . 1 1 90 90 GLN HB3 H 1 1.817 0.005 . 2 . . . . . 107 GLN HB . 27305 1 955 . 1 1 90 90 GLN HG2 H 1 2.465 0.023 . 2 . . . . . 107 GLN HG . 27305 1 956 . 1 1 90 90 GLN HG3 H 1 2.465 0.023 . 2 . . . . . 107 GLN HG . 27305 1 957 . 1 1 90 90 GLN HE21 H 1 7.596 0.002 . 2 . . . . . 107 GLN HE21 . 27305 1 958 . 1 1 90 90 GLN HE22 H 1 6.733 0.007 . 2 . . . . . 107 GLN HE22 . 27305 1 959 . 1 1 90 90 GLN C C 13 175.463 0 . 1 . . . . . 107 GLN C . 27305 1 960 . 1 1 90 90 GLN CA C 13 56.737 0.072 . 1 . . . . . 107 GLN CA . 27305 1 961 . 1 1 90 90 GLN CB C 13 30.021 0.088 . 1 . . . . . 107 GLN CB . 27305 1 962 . 1 1 90 90 GLN CG C 13 34.261 0.041 . 1 . . . . . 107 GLN CG . 27305 1 963 . 1 1 90 90 GLN CD C 13 179.034 0.009 . 1 . . . . . 107 GLN CD . 27305 1 964 . 1 1 90 90 GLN N N 15 115.07 0.049 . 1 . . . . . 107 GLN N . 27305 1 965 . 1 1 90 90 GLN NE2 N 15 110.551 0.076 . 1 . . . . . 107 GLN NE2 . 27305 1 966 . 1 1 91 91 GLU H H 1 8.165 0.005 . 1 . . . . . 108 GLU H . 27305 1 967 . 1 1 91 91 GLU HA H 1 4.113 0 . 1 . . . . . 108 GLU HA . 27305 1 968 . 1 1 91 91 GLU HB2 H 1 1.934 0 . 2 . . . . . 108 GLU HB . 27305 1 969 . 1 1 91 91 GLU HB3 H 1 1.934 0 . 2 . . . . . 108 GLU HB . 27305 1 970 . 1 1 91 91 GLU HG2 H 1 2.119 0 . 2 . . . . . 108 GLU HG . 27305 1 971 . 1 1 91 91 GLU HG3 H 1 2.119 0 . 2 . . . . . 108 GLU HG . 27305 1 972 . 1 1 91 91 GLU CA C 13 56.532 0.04 . 1 . . . . . 108 GLU CA . 27305 1 973 . 1 1 91 91 GLU CB C 13 29.282 0 . 1 . . . . . 108 GLU CB . 27305 1 974 . 1 1 91 91 GLU N N 15 115.845 0.051 . 1 . . . . . 108 GLU N . 27305 1 975 . 1 1 92 92 PRO HA H 1 4.492 0.009 . 1 . . . . . 109 PRO HA . 27305 1 976 . 1 1 92 92 PRO HB2 H 1 2.14 0.007 . 2 . . . . . 109 PRO HB . 27305 1 977 . 1 1 92 92 PRO HB3 H 1 2.14 0.007 . 2 . . . . . 109 PRO HB . 27305 1 978 . 1 1 92 92 PRO HG2 H 1 1.789 0.009 . 2 . . . . . 109 PRO HG . 27305 1 979 . 1 1 92 92 PRO HG3 H 1 1.789 0.009 . 2 . . . . . 109 PRO HG . 27305 1 980 . 1 1 92 92 PRO HD2 H 1 3.443 0.002 . 2 . . . . . 109 PRO HD . 27305 1 981 . 1 1 92 92 PRO HD3 H 1 3.443 0.002 . 2 . . . . . 109 PRO HD . 27305 1 982 . 1 1 92 92 PRO C C 13 177.804 0 . 1 . . . . . 109 PRO C . 27305 1 983 . 1 1 92 92 PRO CA C 13 62.739 0.036 . 1 . . . . . 109 PRO CA . 27305 1 984 . 1 1 92 92 PRO CB C 13 31.589 0.029 . 1 . . . . . 109 PRO CB . 27305 1 985 . 1 1 93 93 GLU H H 1 8.458 0.009 . 1 . . . . . 110 GLU H . 27305 1 986 . 1 1 93 93 GLU HA H 1 4.281 0.013 . 1 . . . . . 110 GLU HA . 27305 1 987 . 1 1 93 93 GLU HB2 H 1 1.763 0.008 . 2 . . . . . 110 GLU HB . 27305 1 988 . 1 1 93 93 GLU HB3 H 1 1.763 0.008 . 2 . . . . . 110 GLU HB . 27305 1 989 . 1 1 93 93 GLU HG2 H 1 2.268 0.011 . 2 . . . . . 110 GLU HG . 27305 1 990 . 1 1 93 93 GLU HG3 H 1 2.268 0.011 . 2 . . . . . 110 GLU HG . 27305 1 991 . 1 1 93 93 GLU C C 13 179.051 0 . 1 . . . . . 110 GLU C . 27305 1 992 . 1 1 93 93 GLU CA C 13 56.182 0.043 . 1 . . . . . 110 GLU CA . 27305 1 993 . 1 1 93 93 GLU CB C 13 30.418 0.046 . 1 . . . . . 110 GLU CB . 27305 1 994 . 1 1 93 93 GLU CG C 13 36.395 0 . 1 . . . . . 110 GLU CG . 27305 1 995 . 1 1 93 93 GLU N N 15 118.764 0.037 . 1 . . . . . 110 GLU N . 27305 1 996 . 1 1 94 94 VAL H H 1 8.902 0.009 . 1 . . . . . 111 VAL H . 27305 1 997 . 1 1 94 94 VAL HA H 1 3.659 0.017 . 1 . . . . . 111 VAL HA . 27305 1 998 . 1 1 94 94 VAL HB H 1 1.913 0.008 . 1 . . . . . 111 VAL HB . 27305 1 999 . 1 1 94 94 VAL HG11 H 1 0.843 0.004 . 1 . . . . . 111 VAL HG1 . 27305 1 1000 . 1 1 94 94 VAL HG12 H 1 0.843 0.004 . 1 . . . . . 111 VAL HG1 . 27305 1 1001 . 1 1 94 94 VAL HG13 H 1 0.843 0.004 . 1 . . . . . 111 VAL HG1 . 27305 1 1002 . 1 1 94 94 VAL HG21 H 1 1.033 0.009 . 1 . . . . . 111 VAL HG2 . 27305 1 1003 . 1 1 94 94 VAL HG22 H 1 1.033 0.009 . 1 . . . . . 111 VAL HG2 . 27305 1 1004 . 1 1 94 94 VAL HG23 H 1 1.033 0.009 . 1 . . . . . 111 VAL HG2 . 27305 1 1005 . 1 1 94 94 VAL C C 13 176.605 0 . 1 . . . . . 111 VAL C . 27305 1 1006 . 1 1 94 94 VAL CA C 13 66.281 0.009 . 1 . . . . . 111 VAL CA . 27305 1 1007 . 1 1 94 94 VAL CB C 13 31.571 0.085 . 1 . . . . . 111 VAL CB . 27305 1 1008 . 1 1 94 94 VAL CG1 C 13 19.583 0.059 . 1 . . . . . 111 VAL CG1 . 27305 1 1009 . 1 1 94 94 VAL CG2 C 13 22.685 0.108 . 1 . . . . . 111 VAL CG2 . 27305 1 1010 . 1 1 94 94 VAL N N 15 121.314 0.04 . 1 . . . . . 111 VAL N . 27305 1 1011 . 1 1 95 95 GLN H H 1 8.866 0.01 . 1 . . . . . 112 GLN H . 27305 1 1012 . 1 1 95 95 GLN HA H 1 3.863 0.017 . 1 . . . . . 112 GLN HA . 27305 1 1013 . 1 1 95 95 GLN HB2 H 1 2.013 0.01 . 2 . . . . . 112 GLN HB . 27305 1 1014 . 1 1 95 95 GLN HB3 H 1 2.013 0.01 . 2 . . . . . 112 GLN HB . 27305 1 1015 . 1 1 95 95 GLN HG2 H 1 2.383 0.006 . 2 . . . . . 112 GLN HG . 27305 1 1016 . 1 1 95 95 GLN HG3 H 1 2.383 0.006 . 2 . . . . . 112 GLN HG . 27305 1 1017 . 1 1 95 95 GLN HE21 H 1 7.607 0.001 . 2 . . . . . 112 GLN HE21 . 27305 1 1018 . 1 1 95 95 GLN HE22 H 1 7.251 0.009 . 2 . . . . . 112 GLN HE22 . 27305 1 1019 . 1 1 95 95 GLN C C 13 176.251 0 . 1 . . . . . 112 GLN C . 27305 1 1020 . 1 1 95 95 GLN CA C 13 58.227 0.046 . 1 . . . . . 112 GLN CA . 27305 1 1021 . 1 1 95 95 GLN CB C 13 26.719 0.077 . 1 . . . . . 112 GLN CB . 27305 1 1022 . 1 1 95 95 GLN CG C 13 33.276 0.08 . 1 . . . . . 112 GLN CG . 27305 1 1023 . 1 1 95 95 GLN CD C 13 180.275 0 . 1 . . . . . 112 GLN CD . 27305 1 1024 . 1 1 95 95 GLN N N 15 118.732 0.054 . 1 . . . . . 112 GLN N . 27305 1 1025 . 1 1 95 95 GLN NE2 N 15 112.46 0.048 . 1 . . . . . 112 GLN NE2 . 27305 1 1026 . 1 1 96 96 GLU H H 1 7.987 0.007 . 1 . . . . . 113 GLU H . 27305 1 1027 . 1 1 96 96 GLU HA H 1 4.528 0.013 . 1 . . . . . 113 GLU HA . 27305 1 1028 . 1 1 96 96 GLU HB2 H 1 2.234 0.013 . 2 . . . . . 113 GLU HB . 27305 1 1029 . 1 1 96 96 GLU HB3 H 1 2.234 0.013 . 2 . . . . . 113 GLU HB . 27305 1 1030 . 1 1 96 96 GLU C C 13 177.714 0 . 1 . . . . . 113 GLU C . 27305 1 1031 . 1 1 96 96 GLU CA C 13 56.255 0.033 . 1 . . . . . 113 GLU CA . 27305 1 1032 . 1 1 96 96 GLU CB C 13 31.341 0.026 . 1 . . . . . 113 GLU CB . 27305 1 1033 . 1 1 96 96 GLU N N 15 118.564 0.025 . 1 . . . . . 113 GLU N . 27305 1 1034 . 1 1 97 97 VAL H H 1 7.577 0.01 . 1 . . . . . 114 VAL H . 27305 1 1035 . 1 1 97 97 VAL HA H 1 3.473 0.009 . 1 . . . . . 114 VAL HA . 27305 1 1036 . 1 1 97 97 VAL HB H 1 2.243 0.005 . 1 . . . . . 114 VAL HB . 27305 1 1037 . 1 1 97 97 VAL HG11 H 1 1.03 0.019 . 1 . . . . . 114 VAL HG1 . 27305 1 1038 . 1 1 97 97 VAL HG12 H 1 1.03 0.019 . 1 . . . . . 114 VAL HG1 . 27305 1 1039 . 1 1 97 97 VAL HG13 H 1 1.03 0.019 . 1 . . . . . 114 VAL HG1 . 27305 1 1040 . 1 1 97 97 VAL HG21 H 1 0.998 0.013 . 1 . . . . . 114 VAL HG2 . 27305 1 1041 . 1 1 97 97 VAL HG22 H 1 0.998 0.013 . 1 . . . . . 114 VAL HG2 . 27305 1 1042 . 1 1 97 97 VAL HG23 H 1 0.998 0.013 . 1 . . . . . 114 VAL HG2 . 27305 1 1043 . 1 1 97 97 VAL C C 13 177.886 0 . 1 . . . . . 114 VAL C . 27305 1 1044 . 1 1 97 97 VAL CA C 13 68.119 0.026 . 1 . . . . . 114 VAL CA . 27305 1 1045 . 1 1 97 97 VAL CB C 13 31.477 0 . 1 . . . . . 114 VAL CB . 27305 1 1046 . 1 1 97 97 VAL CG1 C 13 24.309 0.008 . 1 . . . . . 114 VAL CG1 . 27305 1 1047 . 1 1 97 97 VAL CG2 C 13 24.191 0.069 . 1 . . . . . 114 VAL CG2 . 27305 1 1048 . 1 1 97 97 VAL N N 15 122.095 0.041 . 1 . . . . . 114 VAL N . 27305 1 1049 . 1 1 98 98 SER H H 1 9.668 0.011 . 1 . . . . . 115 SER H . 27305 1 1050 . 1 1 98 98 SER HA H 1 3.976 0.008 . 1 . . . . . 115 SER HA . 27305 1 1051 . 1 1 98 98 SER C C 13 176.592 0 . 1 . . . . . 115 SER C . 27305 1 1052 . 1 1 98 98 SER CA C 13 62.084 0.022 . 1 . . . . . 115 SER CA . 27305 1 1053 . 1 1 98 98 SER N N 15 115.824 0.047 . 1 . . . . . 115 SER N . 27305 1 1054 . 1 1 99 99 GLN H H 1 7.721 0.006 . 1 . . . . . 116 GLN H . 27305 1 1055 . 1 1 99 99 GLN HA H 1 4.232 0.018 . 1 . . . . . 116 GLN HA . 27305 1 1056 . 1 1 99 99 GLN HB2 H 1 2.245 0.008 . 2 . . . . . 116 GLN HB . 27305 1 1057 . 1 1 99 99 GLN HB3 H 1 2.245 0.008 . 2 . . . . . 116 GLN HB . 27305 1 1058 . 1 1 99 99 GLN HG2 H 1 2.524 0.006 . 2 . . . . . 116 GLN HG . 27305 1 1059 . 1 1 99 99 GLN HG3 H 1 2.524 0.006 . 2 . . . . . 116 GLN HG . 27305 1 1060 . 1 1 99 99 GLN HE21 H 1 7.611 0.002 . 2 . . . . . 116 GLN HE21 . 27305 1 1061 . 1 1 99 99 GLN HE22 H 1 6.948 0.007 . 2 . . . . . 116 GLN HE22 . 27305 1 1062 . 1 1 99 99 GLN C C 13 178.64 0 . 1 . . . . . 116 GLN C . 27305 1 1063 . 1 1 99 99 GLN CA C 13 58.728 0.03 . 1 . . . . . 116 GLN CA . 27305 1 1064 . 1 1 99 99 GLN CB C 13 27.989 0.044 . 1 . . . . . 116 GLN CB . 27305 1 1065 . 1 1 99 99 GLN CG C 13 33.53 0.029 . 1 . . . . . 116 GLN CG . 27305 1 1066 . 1 1 99 99 GLN CD C 13 180.047 0.018 . 1 . . . . . 116 GLN CD . 27305 1 1067 . 1 1 99 99 GLN N N 15 123.575 0.03 . 1 . . . . . 116 GLN N . 27305 1 1068 . 1 1 99 99 GLN NE2 N 15 112.501 0.034 . 1 . . . . . 116 GLN NE2 . 27305 1 1069 . 1 1 100 100 LEU H H 1 7.773 0.009 . 1 . . . . . 117 LEU H . 27305 1 1070 . 1 1 100 100 LEU HA H 1 4.337 0.012 . 1 . . . . . 117 LEU HA . 27305 1 1071 . 1 1 100 100 LEU HB2 H 1 2.017 0.012 . 2 . . . . . 117 LEU HB . 27305 1 1072 . 1 1 100 100 LEU HB3 H 1 2.017 0.012 . 2 . . . . . 117 LEU HB . 27305 1 1073 . 1 1 100 100 LEU HG H 1 1.864 0.007 . 1 . . . . . 117 LEU HG . 27305 1 1074 . 1 1 100 100 LEU HD11 H 1 1.011 0.006 . 1 . . . . . 117 LEU HD1 . 27305 1 1075 . 1 1 100 100 LEU HD12 H 1 1.011 0.006 . 1 . . . . . 117 LEU HD1 . 27305 1 1076 . 1 1 100 100 LEU HD13 H 1 1.011 0.006 . 1 . . . . . 117 LEU HD1 . 27305 1 1077 . 1 1 100 100 LEU HD21 H 1 0.951 0.004 . 1 . . . . . 117 LEU HD2 . 27305 1 1078 . 1 1 100 100 LEU HD22 H 1 0.951 0.004 . 1 . . . . . 117 LEU HD2 . 27305 1 1079 . 1 1 100 100 LEU HD23 H 1 0.951 0.004 . 1 . . . . . 117 LEU HD2 . 27305 1 1080 . 1 1 100 100 LEU C C 13 179.195 0 . 1 . . . . . 117 LEU C . 27305 1 1081 . 1 1 100 100 LEU CA C 13 58.048 0.035 . 1 . . . . . 117 LEU CA . 27305 1 1082 . 1 1 100 100 LEU CB C 13 41.947 0.036 . 1 . . . . . 117 LEU CB . 27305 1 1083 . 1 1 100 100 LEU CG C 13 27.64 0.037 . 1 . . . . . 117 LEU CG . 27305 1 1084 . 1 1 100 100 LEU CD1 C 13 24.238 0.033 . 1 . . . . . 117 LEU CD1 . 27305 1 1085 . 1 1 100 100 LEU CD2 C 13 24.841 0.027 . 1 . . . . . 117 LEU CD2 . 27305 1 1086 . 1 1 100 100 LEU N N 15 122.867 0.035 . 1 . . . . . 117 LEU N . 27305 1 1087 . 1 1 101 101 PHE H H 1 8.56 0.005 . 1 . . . . . 118 PHE H . 27305 1 1088 . 1 1 101 101 PHE HA H 1 3.689 0.015 . 1 . . . . . 118 PHE HA . 27305 1 1089 . 1 1 101 101 PHE HB2 H 1 3.081 0.012 . 2 . . . . . 118 PHE HB2 . 27305 1 1090 . 1 1 101 101 PHE HB3 H 1 2.838 0.016 . 2 . . . . . 118 PHE HB3 . 27305 1 1091 . 1 1 101 101 PHE HD1 H 1 6.037 0.013 . 3 . . . . . 118 PHE HD . 27305 1 1092 . 1 1 101 101 PHE HD2 H 1 6.037 0.013 . 3 . . . . . 118 PHE HD . 27305 1 1093 . 1 1 101 101 PHE HE1 H 1 6.821 0.015 . 3 . . . . . 118 PHE HE . 27305 1 1094 . 1 1 101 101 PHE HE2 H 1 6.821 0.015 . 3 . . . . . 118 PHE HE . 27305 1 1095 . 1 1 101 101 PHE HZ H 1 7.097 0.018 . 1 . . . . . 118 PHE HZ . 27305 1 1096 . 1 1 101 101 PHE C C 13 176.528 0 . 1 . . . . . 118 PHE C . 27305 1 1097 . 1 1 101 101 PHE CA C 13 61.123 0.031 . 1 . . . . . 118 PHE CA . 27305 1 1098 . 1 1 101 101 PHE CB C 13 39.674 0.043 . 1 . . . . . 118 PHE CB . 27305 1 1099 . 1 1 101 101 PHE N N 15 120.191 0.018 . 1 . . . . . 118 PHE N . 27305 1 1100 . 1 1 102 102 ARG H H 1 8.409 0.006 . 1 . . . . . 119 ARG H . 27305 1 1101 . 1 1 102 102 ARG HA H 1 3.624 0.012 . 1 . . . . . 119 ARG HA . 27305 1 1102 . 1 1 102 102 ARG HB2 H 1 2.026 0.009 . 2 . . . . . 119 ARG HB . 27305 1 1103 . 1 1 102 102 ARG HB3 H 1 2.026 0.009 . 2 . . . . . 119 ARG HB . 27305 1 1104 . 1 1 102 102 ARG HG2 H 1 1.672 0.009 . 2 . . . . . 119 ARG HG . 27305 1 1105 . 1 1 102 102 ARG HG3 H 1 1.672 0.009 . 2 . . . . . 119 ARG HG . 27305 1 1106 . 1 1 102 102 ARG HD2 H 1 3.242 0.018 . 2 . . . . . 119 ARG HD . 27305 1 1107 . 1 1 102 102 ARG HD3 H 1 3.242 0.018 . 2 . . . . . 119 ARG HD . 27305 1 1108 . 1 1 102 102 ARG C C 13 178.291 0 . 1 . . . . . 119 ARG C . 27305 1 1109 . 1 1 102 102 ARG CA C 13 60.165 0.028 . 1 . . . . . 119 ARG CA . 27305 1 1110 . 1 1 102 102 ARG CB C 13 30.148 0.022 . 1 . . . . . 119 ARG CB . 27305 1 1111 . 1 1 102 102 ARG CG C 13 28.566 0.069 . 1 . . . . . 119 ARG CG . 27305 1 1112 . 1 1 102 102 ARG CD C 13 43.385 0 . 1 . . . . . 119 ARG CD . 27305 1 1113 . 1 1 102 102 ARG N N 15 117.841 0.04 . 1 . . . . . 119 ARG N . 27305 1 1114 . 1 1 103 103 SER H H 1 8.026 0.006 . 1 . . . . . 120 SER H . 27305 1 1115 . 1 1 103 103 SER HA H 1 4.12 0.015 . 1 . . . . . 120 SER HA . 27305 1 1116 . 1 1 103 103 SER HB2 H 1 3.646 0 . 2 . . . . . 120 SER HB . 27305 1 1117 . 1 1 103 103 SER HB3 H 1 3.646 0 . 2 . . . . . 120 SER HB . 27305 1 1118 . 1 1 103 103 SER C C 13 177.115 0 . 1 . . . . . 120 SER C . 27305 1 1119 . 1 1 103 103 SER CA C 13 62.131 0 . 1 . . . . . 120 SER CA . 27305 1 1120 . 1 1 103 103 SER N N 15 115.524 0.032 . 1 . . . . . 120 SER N . 27305 1 1121 . 1 1 104 104 VAL H H 1 7.987 0.006 . 1 . . . . . 121 VAL H . 27305 1 1122 . 1 1 104 104 VAL HA H 1 3.671 0.008 . 1 . . . . . 121 VAL HA . 27305 1 1123 . 1 1 104 104 VAL HB H 1 2.191 0.004 . 1 . . . . . 121 VAL HB . 27305 1 1124 . 1 1 104 104 VAL HG11 H 1 0.99 0.008 . 1 . . . . . 121 VAL HG1 . 27305 1 1125 . 1 1 104 104 VAL HG12 H 1 0.99 0.008 . 1 . . . . . 121 VAL HG1 . 27305 1 1126 . 1 1 104 104 VAL HG13 H 1 0.99 0.008 . 1 . . . . . 121 VAL HG1 . 27305 1 1127 . 1 1 104 104 VAL HG21 H 1 1.173 0.007 . 1 . . . . . 121 VAL HG2 . 27305 1 1128 . 1 1 104 104 VAL HG22 H 1 1.173 0.007 . 1 . . . . . 121 VAL HG2 . 27305 1 1129 . 1 1 104 104 VAL HG23 H 1 1.173 0.007 . 1 . . . . . 121 VAL HG2 . 27305 1 1130 . 1 1 104 104 VAL C C 13 177.903 0 . 1 . . . . . 121 VAL C . 27305 1 1131 . 1 1 104 104 VAL CA C 13 66.652 0.052 . 1 . . . . . 121 VAL CA . 27305 1 1132 . 1 1 104 104 VAL CB C 13 31.406 0.011 . 1 . . . . . 121 VAL CB . 27305 1 1133 . 1 1 104 104 VAL CG1 C 13 21.612 0.041 . 1 . . . . . 121 VAL CG1 . 27305 1 1134 . 1 1 104 104 VAL CG2 C 13 24.296 0.043 . 1 . . . . . 121 VAL CG2 . 27305 1 1135 . 1 1 104 104 VAL N N 15 124.484 0.045 . 1 . . . . . 121 VAL N . 27305 1 1136 . 1 1 105 105 LEU H H 1 8.008 0.008 . 1 . . . . . 122 LEU H . 27305 1 1137 . 1 1 105 105 LEU HA H 1 3.71 0.012 . 1 . . . . . 122 LEU HA . 27305 1 1138 . 1 1 105 105 LEU HB2 H 1 1.71 0.018 . 2 . . . . . 122 LEU HB2 . 27305 1 1139 . 1 1 105 105 LEU HB3 H 1 1.104 0.017 . 2 . . . . . 122 LEU HB3 . 27305 1 1140 . 1 1 105 105 LEU HG H 1 1.149 0.009 . 1 . . . . . 122 LEU HG . 27305 1 1141 . 1 1 105 105 LEU HD11 H 1 0.401 0.006 . 1 . . . . . 122 LEU HD1 . 27305 1 1142 . 1 1 105 105 LEU HD12 H 1 0.401 0.006 . 1 . . . . . 122 LEU HD1 . 27305 1 1143 . 1 1 105 105 LEU HD13 H 1 0.401 0.006 . 1 . . . . . 122 LEU HD1 . 27305 1 1144 . 1 1 105 105 LEU HD21 H 1 0.323 0.006 . 1 . . . . . 122 LEU HD2 . 27305 1 1145 . 1 1 105 105 LEU HD22 H 1 0.323 0.006 . 1 . . . . . 122 LEU HD2 . 27305 1 1146 . 1 1 105 105 LEU HD23 H 1 0.323 0.006 . 1 . . . . . 122 LEU HD2 . 27305 1 1147 . 1 1 105 105 LEU C C 13 178.753 0 . 1 . . . . . 122 LEU C . 27305 1 1148 . 1 1 105 105 LEU CA C 13 58.027 0.039 . 1 . . . . . 122 LEU CA . 27305 1 1149 . 1 1 105 105 LEU CB C 13 40.409 0.082 . 1 . . . . . 122 LEU CB . 27305 1 1150 . 1 1 105 105 LEU CG C 13 25.898 0.024 . 1 . . . . . 122 LEU CG . 27305 1 1151 . 1 1 105 105 LEU CD1 C 13 27.066 0.074 . 1 . . . . . 122 LEU CD1 . 27305 1 1152 . 1 1 105 105 LEU CD2 C 13 21.341 0.016 . 1 . . . . . 122 LEU CD2 . 27305 1 1153 . 1 1 105 105 LEU N N 15 118.381 0.023 . 1 . . . . . 122 LEU N . 27305 1 1154 . 1 1 106 106 GLN H H 1 8.15 0.004 . 1 . . . . . 123 GLN H . 27305 1 1155 . 1 1 106 106 GLN HA H 1 3.943 0.007 . 1 . . . . . 123 GLN HA . 27305 1 1156 . 1 1 106 106 GLN HB2 H 1 2.171 0.013 . 2 . . . . . 123 GLN HB . 27305 1 1157 . 1 1 106 106 GLN HB3 H 1 2.171 0.013 . 2 . . . . . 123 GLN HB . 27305 1 1158 . 1 1 106 106 GLN HG2 H 1 2.443 0.01 . 2 . . . . . 123 GLN HG . 27305 1 1159 . 1 1 106 106 GLN HG3 H 1 2.443 0.01 . 2 . . . . . 123 GLN HG . 27305 1 1160 . 1 1 106 106 GLN HE21 H 1 7.573 0.002 . 2 . . . . . 123 GLN HE21 . 27305 1 1161 . 1 1 106 106 GLN HE22 H 1 6.786 0.005 . 2 . . . . . 123 GLN HE22 . 27305 1 1162 . 1 1 106 106 GLN C C 13 178.445 0 . 1 . . . . . 123 GLN C . 27305 1 1163 . 1 1 106 106 GLN CA C 13 58.945 0.027 . 1 . . . . . 123 GLN CA . 27305 1 1164 . 1 1 106 106 GLN CB C 13 27.95 0.029 . 1 . . . . . 123 GLN CB . 27305 1 1165 . 1 1 106 106 GLN CG C 13 33.744 0.049 . 1 . . . . . 123 GLN CG . 27305 1 1166 . 1 1 106 106 GLN CD C 13 179.716 0 . 1 . . . . . 123 GLN CD . 27305 1 1167 . 1 1 106 106 GLN N N 15 116.72 0.03 . 1 . . . . . 123 GLN N . 27305 1 1168 . 1 1 106 106 GLN NE2 N 15 111.577 0.046 . 1 . . . . . 123 GLN NE2 . 27305 1 1169 . 1 1 107 107 GLU H H 1 7.735 0.007 . 1 . . . . . 124 GLU H . 27305 1 1170 . 1 1 107 107 GLU HA H 1 4.061 0.005 . 1 . . . . . 124 GLU HA . 27305 1 1171 . 1 1 107 107 GLU HB2 H 1 2.182 0 . 2 . . . . . 124 GLU HB . 27305 1 1172 . 1 1 107 107 GLU HB3 H 1 2.182 0 . 2 . . . . . 124 GLU HB . 27305 1 1173 . 1 1 107 107 GLU HG2 H 1 2.412 0 . 2 . . . . . 124 GLU HG . 27305 1 1174 . 1 1 107 107 GLU HG3 H 1 2.412 0 . 2 . . . . . 124 GLU HG . 27305 1 1175 . 1 1 107 107 GLU C C 13 179.935 0 . 1 . . . . . 124 GLU C . 27305 1 1176 . 1 1 107 107 GLU CA C 13 59.674 0.008 . 1 . . . . . 124 GLU CA . 27305 1 1177 . 1 1 107 107 GLU CB C 13 29.86 0 . 1 . . . . . 124 GLU CB . 27305 1 1178 . 1 1 107 107 GLU N N 15 120.336 0.04 . 1 . . . . . 124 GLU N . 27305 1 1179 . 1 1 108 108 VAL H H 1 8.169 0.007 . 1 . . . . . 125 VAL H . 27305 1 1180 . 1 1 108 108 VAL HA H 1 3.499 0.007 . 1 . . . . . 125 VAL HA . 27305 1 1181 . 1 1 108 108 VAL HB H 1 2.238 0.008 . 1 . . . . . 125 VAL HB . 27305 1 1182 . 1 1 108 108 VAL HG11 H 1 0.898 0.007 . 1 . . . . . 125 VAL HG1 . 27305 1 1183 . 1 1 108 108 VAL HG12 H 1 0.898 0.007 . 1 . . . . . 125 VAL HG1 . 27305 1 1184 . 1 1 108 108 VAL HG13 H 1 0.898 0.007 . 1 . . . . . 125 VAL HG1 . 27305 1 1185 . 1 1 108 108 VAL HG21 H 1 1.099 0.009 . 1 . . . . . 125 VAL HG2 . 27305 1 1186 . 1 1 108 108 VAL HG22 H 1 1.099 0.009 . 1 . . . . . 125 VAL HG2 . 27305 1 1187 . 1 1 108 108 VAL HG23 H 1 1.099 0.009 . 1 . . . . . 125 VAL HG2 . 27305 1 1188 . 1 1 108 108 VAL CA C 13 66.892 0.025 . 1 . . . . . 125 VAL CA . 27305 1 1189 . 1 1 108 108 VAL CB C 13 31.234 0.013 . 1 . . . . . 125 VAL CB . 27305 1 1190 . 1 1 108 108 VAL CG1 C 13 23.055 0.03 . 1 . . . . . 125 VAL CG1 . 27305 1 1191 . 1 1 108 108 VAL CG2 C 13 22.943 0.049 . 1 . . . . . 125 VAL CG2 . 27305 1 1192 . 1 1 108 108 VAL N N 15 120.85 0.058 . 1 . . . . . 125 VAL N . 27305 1 1193 . 1 1 109 109 LEU H H 1 8.389 0.008 . 1 . . . . . 126 LEU H . 27305 1 1194 . 1 1 109 109 LEU HA H 1 4.14 0.015 . 1 . . . . . 126 LEU HA . 27305 1 1195 . 1 1 109 109 LEU HG H 1 1.657 0.009 . 1 . . . . . 126 LEU HG . 27305 1 1196 . 1 1 109 109 LEU HD11 H 1 0.936 0.01 . 1 . . . . . 126 LEU HD1 . 27305 1 1197 . 1 1 109 109 LEU HD12 H 1 0.936 0.01 . 1 . . . . . 126 LEU HD1 . 27305 1 1198 . 1 1 109 109 LEU HD13 H 1 0.936 0.01 . 1 . . . . . 126 LEU HD1 . 27305 1 1199 . 1 1 109 109 LEU HD21 H 1 0.812 0.009 . 1 . . . . . 126 LEU HD2 . 27305 1 1200 . 1 1 109 109 LEU HD22 H 1 0.812 0.009 . 1 . . . . . 126 LEU HD2 . 27305 1 1201 . 1 1 109 109 LEU HD23 H 1 0.812 0.009 . 1 . . . . . 126 LEU HD2 . 27305 1 1202 . 1 1 109 109 LEU C C 13 178.825 0 . 1 . . . . . 126 LEU C . 27305 1 1203 . 1 1 109 109 LEU CA C 13 58.393 0.046 . 1 . . . . . 126 LEU CA . 27305 1 1204 . 1 1 109 109 LEU CB C 13 43.054 0 . 1 . . . . . 126 LEU CB . 27305 1 1205 . 1 1 109 109 LEU CG C 13 27.133 0 . 1 . . . . . 126 LEU CG . 27305 1 1206 . 1 1 109 109 LEU CD1 C 13 26.64 0.085 . 1 . . . . . 126 LEU CD1 . 27305 1 1207 . 1 1 109 109 LEU CD2 C 13 23.738 0.022 . 1 . . . . . 126 LEU CD2 . 27305 1 1208 . 1 1 109 109 LEU N N 15 120.841 0.04 . 1 . . . . . 126 LEU N . 27305 1 1209 . 1 1 110 110 GLU H H 1 7.735 0.006 . 1 . . . . . 127 GLU H . 27305 1 1210 . 1 1 110 110 GLU HB2 H 1 1.995 0 . 2 . . . . . 127 GLU HB . 27305 1 1211 . 1 1 110 110 GLU HB3 H 1 1.995 0 . 2 . . . . . 127 GLU HB . 27305 1 1212 . 1 1 110 110 GLU C C 13 178.608 0 . 1 . . . . . 127 GLU C . 27305 1 1213 . 1 1 110 110 GLU CA C 13 59.181 0 . 1 . . . . . 127 GLU CA . 27305 1 1214 . 1 1 110 110 GLU N N 15 120.025 0.006 . 1 . . . . . 127 GLU N . 27305 1 1215 . 1 1 111 111 ARG H H 1 8.142 0.006 . 1 . . . . . 128 ARG H . 27305 1 1216 . 1 1 111 111 ARG HA H 1 4.046 0 . 1 . . . . . 128 ARG HA . 27305 1 1217 . 1 1 111 111 ARG HD2 H 1 3.199 0 . 2 . . . . . 128 ARG HD . 27305 1 1218 . 1 1 111 111 ARG HD3 H 1 3.199 0 . 2 . . . . . 128 ARG HD . 27305 1 1219 . 1 1 111 111 ARG HE H 1 8.014 0 . 1 . . . . . 128 ARG HE . 27305 1 1220 . 1 1 111 111 ARG C C 13 179.026 0 . 1 . . . . . 128 ARG C . 27305 1 1221 . 1 1 111 111 ARG CA C 13 59.145 0 . 1 . . . . . 128 ARG CA . 27305 1 1222 . 1 1 111 111 ARG CG C 13 27.063 0 . 1 . . . . . 128 ARG CG . 27305 1 1223 . 1 1 111 111 ARG CD C 13 42.96 0.03 . 1 . . . . . 128 ARG CD . 27305 1 1224 . 1 1 111 111 ARG CZ C 13 159.496 0 . 1 . . . . . 128 ARG CZ . 27305 1 1225 . 1 1 111 111 ARG N N 15 120.583 0.062 . 1 . . . . . 128 ARG N . 27305 1 1226 . 1 1 111 111 ARG NE N 15 83.024 0 . 1 . . . . . 128 ARG NE . 27305 1 1227 . 1 1 112 112 MET H H 1 8.693 0.006 . 1 . . . . . 129 MET H . 27305 1 1228 . 1 1 112 112 MET HA H 1 4.106 0.009 . 1 . . . . . 129 MET HA . 27305 1 1229 . 1 1 112 112 MET HB2 H 1 1.94 0.004 . 2 . . . . . 129 MET HB . 27305 1 1230 . 1 1 112 112 MET HB3 H 1 1.94 0.004 . 2 . . . . . 129 MET HB . 27305 1 1231 . 1 1 112 112 MET HG2 H 1 2.464 0.013 . 2 . . . . . 129 MET HG . 27305 1 1232 . 1 1 112 112 MET HG3 H 1 2.464 0.013 . 2 . . . . . 129 MET HG . 27305 1 1233 . 1 1 112 112 MET HE1 H 1 2.192 0.001 . 1 . . . . . 129 MET HE . 27305 1 1234 . 1 1 112 112 MET HE2 H 1 2.192 0.001 . 1 . . . . . 129 MET HE . 27305 1 1235 . 1 1 112 112 MET HE3 H 1 2.192 0.001 . 1 . . . . . 129 MET HE . 27305 1 1236 . 1 1 112 112 MET CA C 13 59.142 0.108 . 1 . . . . . 129 MET CA . 27305 1 1237 . 1 1 112 112 MET CB C 13 33.511 0 . 1 . . . . . 129 MET CB . 27305 1 1238 . 1 1 112 112 MET CE C 13 15.235 0.008 . 1 . . . . . 129 MET CE . 27305 1 1239 . 1 1 112 112 MET N N 15 119.168 0.031 . 1 . . . . . 129 MET N . 27305 1 1240 . 1 1 113 113 LYS H H 1 8.095 0.006 . 1 . . . . . 130 LYS H . 27305 1 1241 . 1 1 113 113 LYS C C 13 178.979 0 . 1 . . . . . 130 LYS C . 27305 1 1242 . 1 1 113 113 LYS CA C 13 59.079 0.072 . 1 . . . . . 130 LYS CA . 27305 1 1243 . 1 1 113 113 LYS CB C 13 32.888 0 . 1 . . . . . 130 LYS CB . 27305 1 1244 . 1 1 113 113 LYS N N 15 120.767 0.052 . 1 . . . . . 130 LYS N . 27305 1 1245 . 1 1 114 114 GLN H H 1 7.983 0.005 . 1 . . . . . 131 GLN H . 27305 1 1246 . 1 1 114 114 GLN HA H 1 3.988 0 . 1 . . . . . 131 GLN HA . 27305 1 1247 . 1 1 114 114 GLN HB2 H 1 2.349 0.001 . 2 . . . . . 131 GLN HB . 27305 1 1248 . 1 1 114 114 GLN HB3 H 1 2.349 0.001 . 2 . . . . . 131 GLN HB . 27305 1 1249 . 1 1 114 114 GLN C C 13 179.176 0 . 1 . . . . . 131 GLN C . 27305 1 1250 . 1 1 114 114 GLN CA C 13 59.161 0.176 . 1 . . . . . 131 GLN CA . 27305 1 1251 . 1 1 114 114 GLN N N 15 121.944 0.032 . 1 . . . . . 131 GLN N . 27305 1 1252 . 1 1 115 115 GLU H H 1 7.976 0.006 . 1 . . . . . 132 GLU H . 27305 1 1253 . 1 1 115 115 GLU C C 13 179.171 0 . 1 . . . . . 132 GLU C . 27305 1 1254 . 1 1 115 115 GLU CA C 13 58.498 0.061 . 1 . . . . . 132 GLU CA . 27305 1 1255 . 1 1 115 115 GLU CB C 13 29.37 0 . 1 . . . . . 132 GLU CB . 27305 1 1256 . 1 1 115 115 GLU N N 15 119.398 0 . 1 . . . . . 132 GLU N . 27305 1 1257 . 1 1 116 116 GLU H H 1 7.966 0.008 . 1 . . . . . 133 GLU H . 27305 1 1258 . 1 1 116 116 GLU HA H 1 4.107 0.003 . 1 . . . . . 133 GLU HA . 27305 1 1259 . 1 1 116 116 GLU HB2 H 1 1.977 0.012 . 2 . . . . . 133 GLU HB . 27305 1 1260 . 1 1 116 116 GLU HB3 H 1 1.977 0.012 . 2 . . . . . 133 GLU HB . 27305 1 1261 . 1 1 116 116 GLU C C 13 178.615 0 . 1 . . . . . 133 GLU C . 27305 1 1262 . 1 1 116 116 GLU CA C 13 59.309 0.023 . 1 . . . . . 133 GLU CA . 27305 1 1263 . 1 1 116 116 GLU CB C 13 30.135 0 . 1 . . . . . 133 GLU CB . 27305 1 1264 . 1 1 116 116 GLU N N 15 119.668 0 . 1 . . . . . 133 GLU N . 27305 1 1265 . 1 1 117 117 GLU H H 1 8.143 0.005 . 1 . . . . . 134 GLU H . 27305 1 1266 . 1 1 117 117 GLU HA H 1 4.088 0.002 . 1 . . . . . 134 GLU HA . 27305 1 1267 . 1 1 117 117 GLU HB2 H 1 2.087 0.012 . 2 . . . . . 134 GLU HB . 27305 1 1268 . 1 1 117 117 GLU HB3 H 1 2.087 0.012 . 2 . . . . . 134 GLU HB . 27305 1 1269 . 1 1 117 117 GLU HG2 H 1 2.376 0 . 2 . . . . . 134 GLU HG . 27305 1 1270 . 1 1 117 117 GLU HG3 H 1 2.376 0 . 2 . . . . . 134 GLU HG . 27305 1 1271 . 1 1 117 117 GLU C C 13 178.267 0 . 1 . . . . . 134 GLU C . 27305 1 1272 . 1 1 117 117 GLU CA C 13 58.646 0.018 . 1 . . . . . 134 GLU CA . 27305 1 1273 . 1 1 117 117 GLU CB C 13 29.819 0.001 . 1 . . . . . 134 GLU CB . 27305 1 1274 . 1 1 117 117 GLU CG C 13 36.276 0 . 1 . . . . . 134 GLU CG . 27305 1 1275 . 1 1 117 117 GLU N N 15 118.942 0 . 1 . . . . . 134 GLU N . 27305 1 1276 . 1 1 118 118 ALA H H 1 7.976 0.005 . 1 . . . . . 135 ALA H . 27305 1 1277 . 1 1 118 118 ALA HA H 1 4.148 0.005 . 1 . . . . . 135 ALA HA . 27305 1 1278 . 1 1 118 118 ALA HB1 H 1 1.4 0.006 . 1 . . . . . 135 ALA HB . 27305 1 1279 . 1 1 118 118 ALA HB2 H 1 1.4 0.006 . 1 . . . . . 135 ALA HB . 27305 1 1280 . 1 1 118 118 ALA HB3 H 1 1.4 0.006 . 1 . . . . . 135 ALA HB . 27305 1 1281 . 1 1 118 118 ALA C C 13 179.629 0 . 1 . . . . . 135 ALA C . 27305 1 1282 . 1 1 118 118 ALA CA C 13 54.643 0.152 . 1 . . . . . 135 ALA CA . 27305 1 1283 . 1 1 118 118 ALA CB C 13 18.279 0.046 . 1 . . . . . 135 ALA CB . 27305 1 1284 . 1 1 118 118 ALA N N 15 121.985 0.051 . 1 . . . . . 135 ALA N . 27305 1 1285 . 1 1 119 119 HIS H H 1 8.028 0.007 . 1 . . . . . 136 HIS H . 27305 1 1286 . 1 1 119 119 HIS HA H 1 4.519 0.003 . 1 . . . . . 136 HIS HA . 27305 1 1287 . 1 1 119 119 HIS HB2 H 1 3.194 0.015 . 2 . . . . . 136 HIS HB . 27305 1 1288 . 1 1 119 119 HIS HB3 H 1 3.194 0.015 . 2 . . . . . 136 HIS HB . 27305 1 1289 . 1 1 119 119 HIS HD2 H 1 7.069 0.014 . 1 . . . . . 136 HIS HD2 . 27305 1 1290 . 1 1 119 119 HIS CA C 13 57.743 0.084 . 1 . . . . . 136 HIS CA . 27305 1 1291 . 1 1 119 119 HIS CB C 13 29.937 0.027 . 1 . . . . . 136 HIS CB . 27305 1 1292 . 1 1 119 119 HIS N N 15 117.031 0.074 . 1 . . . . . 136 HIS N . 27305 1 1293 . 1 1 120 120 LYS C C 13 177.739 0 . 1 . . . . . 137 LYS C . 27305 1 1294 . 1 1 120 120 LYS CA C 13 58.472 0.023 . 1 . . . . . 137 LYS CA . 27305 1 1295 . 1 1 120 120 LYS CB C 13 32.487 0 . 1 . . . . . 137 LYS CB . 27305 1 1296 . 1 1 121 121 LEU H H 1 7.891 0.009 . 1 . . . . . 138 LEU H . 27305 1 1297 . 1 1 121 121 LEU HA H 1 4.267 0.011 . 1 . . . . . 138 LEU HA . 27305 1 1298 . 1 1 121 121 LEU HB2 H 1 1.745 0.01 . 2 . . . . . 138 LEU HB . 27305 1 1299 . 1 1 121 121 LEU HB3 H 1 1.745 0.01 . 2 . . . . . 138 LEU HB . 27305 1 1300 . 1 1 121 121 LEU HG H 1 1.347 0.005 . 1 . . . . . 138 LEU HG . 27305 1 1301 . 1 1 121 121 LEU HD11 H 1 0.917 0.005 . 1 . . . . . 138 LEU HD1 . 27305 1 1302 . 1 1 121 121 LEU HD12 H 1 0.917 0.005 . 1 . . . . . 138 LEU HD1 . 27305 1 1303 . 1 1 121 121 LEU HD13 H 1 0.917 0.005 . 1 . . . . . 138 LEU HD1 . 27305 1 1304 . 1 1 121 121 LEU HD21 H 1 0.86 0.007 . 1 . . . . . 138 LEU HD2 . 27305 1 1305 . 1 1 121 121 LEU HD22 H 1 0.86 0.007 . 1 . . . . . 138 LEU HD2 . 27305 1 1306 . 1 1 121 121 LEU HD23 H 1 0.86 0.007 . 1 . . . . . 138 LEU HD2 . 27305 1 1307 . 1 1 121 121 LEU C C 13 178.098 0 . 1 . . . . . 138 LEU C . 27305 1 1308 . 1 1 121 121 LEU CA C 13 56.322 0.012 . 1 . . . . . 138 LEU CA . 27305 1 1309 . 1 1 121 121 LEU CB C 13 42.094 0.009 . 1 . . . . . 138 LEU CB . 27305 1 1310 . 1 1 121 121 LEU CD1 C 13 25.027 0.065 . 1 . . . . . 138 LEU CD1 . 27305 1 1311 . 1 1 121 121 LEU CD2 C 13 23.399 0.072 . 1 . . . . . 138 LEU CD2 . 27305 1 1312 . 1 1 121 121 LEU N N 15 119.748 0.055 . 1 . . . . . 138 LEU N . 27305 1 1313 . 1 1 122 122 THR H H 1 7.911 0.006 . 1 . . . . . 139 THR H . 27305 1 1314 . 1 1 122 122 THR HA H 1 4.219 0 . 1 . . . . . 139 THR HA . 27305 1 1315 . 1 1 122 122 THR HB H 1 4.297 0.01 . 1 . . . . . 139 THR HB . 27305 1 1316 . 1 1 122 122 THR HG21 H 1 1.248 0.01 . 1 . . . . . 139 THR HG2 . 27305 1 1317 . 1 1 122 122 THR HG22 H 1 1.248 0.01 . 1 . . . . . 139 THR HG2 . 27305 1 1318 . 1 1 122 122 THR HG23 H 1 1.248 0.01 . 1 . . . . . 139 THR HG2 . 27305 1 1319 . 1 1 122 122 THR C C 13 175.303 0 . 1 . . . . . 139 THR C . 27305 1 1320 . 1 1 122 122 THR CA C 13 63.135 0.06 . 1 . . . . . 139 THR CA . 27305 1 1321 . 1 1 122 122 THR CB C 13 69.695 0.006 . 1 . . . . . 139 THR CB . 27305 1 1322 . 1 1 122 122 THR CG2 C 13 21.693 0 . 1 . . . . . 139 THR CG2 . 27305 1 1323 . 1 1 122 122 THR N N 15 112.7 0.024 . 1 . . . . . 139 THR N . 27305 1 1324 . 1 1 123 123 ARG H H 1 8.075 0.005 . 1 . . . . . 140 ARG H . 27305 1 1325 . 1 1 123 123 ARG HA H 1 4.191 0.005 . 1 . . . . . 140 ARG HA . 27305 1 1326 . 1 1 123 123 ARG HB2 H 1 1.756 0.003 . 2 . . . . . 140 ARG HB . 27305 1 1327 . 1 1 123 123 ARG HB3 H 1 1.756 0.003 . 2 . . . . . 140 ARG HB . 27305 1 1328 . 1 1 123 123 ARG HG2 H 1 1.562 0.007 . 2 . . . . . 140 ARG HG . 27305 1 1329 . 1 1 123 123 ARG HG3 H 1 1.562 0.007 . 2 . . . . . 140 ARG HG . 27305 1 1330 . 1 1 123 123 ARG HD2 H 1 3.09 0.01 . 2 . . . . . 140 ARG HD . 27305 1 1331 . 1 1 123 123 ARG HD3 H 1 3.09 0.01 . 2 . . . . . 140 ARG HD . 27305 1 1332 . 1 1 123 123 ARG C C 13 176.704 0 . 1 . . . . . 140 ARG C . 27305 1 1333 . 1 1 123 123 ARG CA C 13 56.997 0.048 . 1 . . . . . 140 ARG CA . 27305 1 1334 . 1 1 123 123 ARG CB C 13 30.255 0.05 . 1 . . . . . 140 ARG CB . 27305 1 1335 . 1 1 123 123 ARG CG C 13 27.076 0.015 . 1 . . . . . 140 ARG CG . 27305 1 1336 . 1 1 123 123 ARG CD C 13 43.377 0.022 . 1 . . . . . 140 ARG CD . 27305 1 1337 . 1 1 123 123 ARG N N 15 122.116 0.049 . 1 . . . . . 140 ARG N . 27305 1 1338 . 1 1 124 124 GLN H H 1 8.192 0.004 . 1 . . . . . 141 GLN H . 27305 1 1339 . 1 1 124 124 GLN HA H 1 4.228 0.009 . 1 . . . . . 141 GLN HA . 27305 1 1340 . 1 1 124 124 GLN HB2 H 1 1.978 0.009 . 2 . . . . . 141 GLN HB . 27305 1 1341 . 1 1 124 124 GLN HB3 H 1 1.978 0.009 . 2 . . . . . 141 GLN HB . 27305 1 1342 . 1 1 124 124 GLN HG2 H 1 2.243 0.005 . 2 . . . . . 141 GLN HG . 27305 1 1343 . 1 1 124 124 GLN HG3 H 1 2.243 0.005 . 2 . . . . . 141 GLN HG . 27305 1 1344 . 1 1 124 124 GLN HE21 H 1 7.378 0.007 . 2 . . . . . 141 GLN HE21 . 27305 1 1345 . 1 1 124 124 GLN HE22 H 1 6.849 0.003 . 2 . . . . . 141 GLN HE22 . 27305 1 1346 . 1 1 124 124 GLN C C 13 176.343 0 . 1 . . . . . 141 GLN C . 27305 1 1347 . 1 1 124 124 GLN CA C 13 56.764 0.084 . 1 . . . . . 141 GLN CA . 27305 1 1348 . 1 1 124 124 GLN CB C 13 29.057 0.047 . 1 . . . . . 141 GLN CB . 27305 1 1349 . 1 1 124 124 GLN CG C 13 33.727 0.027 . 1 . . . . . 141 GLN CG . 27305 1 1350 . 1 1 124 124 GLN CD C 13 180.094 0.013 . 1 . . . . . 141 GLN CD . 27305 1 1351 . 1 1 124 124 GLN N N 15 119.9 0 . 1 . . . . . 141 GLN N . 27305 1 1352 . 1 1 124 124 GLN NE2 N 15 112.017 0.023 . 1 . . . . . 141 GLN NE2 . 27305 1 1353 . 1 1 125 125 TRP H H 1 8.12 0.01 . 1 . . . . . 142 TRP H . 27305 1 1354 . 1 1 125 125 TRP HA H 1 4.658 0.005 . 1 . . . . . 142 TRP HA . 27305 1 1355 . 1 1 125 125 TRP HB2 H 1 3.274 0.017 . 2 . . . . . 142 TRP HB . 27305 1 1356 . 1 1 125 125 TRP HB3 H 1 3.274 0.017 . 2 . . . . . 142 TRP HB . 27305 1 1357 . 1 1 125 125 TRP HD1 H 1 7.257 0.016 . 1 . . . . . 142 TRP HD1 . 27305 1 1358 . 1 1 125 125 TRP HE1 H 1 10.18 0.006 . 1 . . . . . 142 TRP HE1 . 27305 1 1359 . 1 1 125 125 TRP HE3 H 1 7.568 0 . 1 . . . . . 142 TRP HE3 . 27305 1 1360 . 1 1 125 125 TRP HZ2 H 1 7.448 0 . 1 . . . . . 142 TRP HZ2 . 27305 1 1361 . 1 1 125 125 TRP C C 13 176.45 0 . 1 . . . . . 142 TRP C . 27305 1 1362 . 1 1 125 125 TRP CA C 13 57.795 0 . 1 . . . . . 142 TRP CA . 27305 1 1363 . 1 1 125 125 TRP CB C 13 29.615 0.028 . 1 . . . . . 142 TRP CB . 27305 1 1364 . 1 1 125 125 TRP CD1 C 13 127.109 0.248 . 1 . . . . . 142 TRP CD1 . 27305 1 1365 . 1 1 125 125 TRP CE2 C 13 138.916 0 . 1 . . . . . 142 TRP CE2 . 27305 1 1366 . 1 1 125 125 TRP N N 15 121.191 0.04 . 1 . . . . . 142 TRP N . 27305 1 1367 . 1 1 125 125 TRP NE1 N 15 129.276 0.042 . 1 . . . . . 142 TRP NE1 . 27305 1 1368 . 1 1 126 126 SER H H 1 8.041 0 . 1 . . . . . 143 SER H . 27305 1 1369 . 1 1 126 126 SER HA H 1 4.334 0.002 . 1 . . . . . 143 SER HA . 27305 1 1370 . 1 1 126 126 SER HB2 H 1 3.808 0 . 2 . . . . . 143 SER HB . 27305 1 1371 . 1 1 126 126 SER HB3 H 1 3.808 0 . 2 . . . . . 143 SER HB . 27305 1 1372 . 1 1 126 126 SER C C 13 174.13 0 . 1 . . . . . 143 SER C . 27305 1 1373 . 1 1 126 126 SER CA C 13 58.865 0.044 . 1 . . . . . 143 SER CA . 27305 1 1374 . 1 1 126 126 SER CB C 13 63.85 0.048 . 1 . . . . . 143 SER CB . 27305 1 1375 . 1 1 126 126 SER N N 15 115.935 0 . 1 . . . . . 143 SER N . 27305 1 1376 . 1 1 127 127 LEU H H 1 7.993 0.006 . 1 . . . . . 144 LEU H . 27305 1 1377 . 1 1 127 127 LEU HA H 1 4.332 0.002 . 1 . . . . . 144 LEU HA . 27305 1 1378 . 1 1 127 127 LEU HB2 H 1 1.626 0.021 . 2 . . . . . 144 LEU HB . 27305 1 1379 . 1 1 127 127 LEU HB3 H 1 1.626 0.021 . 2 . . . . . 144 LEU HB . 27305 1 1380 . 1 1 127 127 LEU HD11 H 1 0.919 0 . 1 . . . . . 144 LEU HD1 . 27305 1 1381 . 1 1 127 127 LEU HD12 H 1 0.919 0 . 1 . . . . . 144 LEU HD1 . 27305 1 1382 . 1 1 127 127 LEU HD13 H 1 0.919 0 . 1 . . . . . 144 LEU HD1 . 27305 1 1383 . 1 1 127 127 LEU HD21 H 1 0.85 0 . 1 . . . . . 144 LEU HD2 . 27305 1 1384 . 1 1 127 127 LEU HD22 H 1 0.85 0 . 1 . . . . . 144 LEU HD2 . 27305 1 1385 . 1 1 127 127 LEU HD23 H 1 0.85 0 . 1 . . . . . 144 LEU HD2 . 27305 1 1386 . 1 1 127 127 LEU C C 13 176.852 0 . 1 . . . . . 144 LEU C . 27305 1 1387 . 1 1 127 127 LEU CA C 13 55.184 0.095 . 1 . . . . . 144 LEU CA . 27305 1 1388 . 1 1 127 127 LEU CB C 13 42.356 0.048 . 1 . . . . . 144 LEU CB . 27305 1 1389 . 1 1 127 127 LEU CD1 C 13 24.969 0 . 1 . . . . . 144 LEU CD1 . 27305 1 1390 . 1 1 127 127 LEU CD2 C 13 23.458 0 . 1 . . . . . 144 LEU CD2 . 27305 1 1391 . 1 1 127 127 LEU N N 15 123.05 0.042 . 1 . . . . . 144 LEU N . 27305 1 1392 . 1 1 128 128 ARG H H 1 8.08 0.002 . 1 . . . . . 145 ARG H . 27305 1 1393 . 1 1 128 128 ARG HA H 1 4.566 0.003 . 1 . . . . . 145 ARG HA . 27305 1 1394 . 1 1 128 128 ARG HB2 H 1 1.747 0.012 . 2 . . . . . 145 ARG HB . 27305 1 1395 . 1 1 128 128 ARG HB3 H 1 1.747 0.012 . 2 . . . . . 145 ARG HB . 27305 1 1396 . 1 1 128 128 ARG HG2 H 1 1.599 0.008 . 2 . . . . . 145 ARG HG . 27305 1 1397 . 1 1 128 128 ARG HG3 H 1 1.599 0.008 . 2 . . . . . 145 ARG HG . 27305 1 1398 . 1 1 128 128 ARG HD2 H 1 3.086 0.016 . 2 . . . . . 145 ARG HD . 27305 1 1399 . 1 1 128 128 ARG HD3 H 1 3.086 0.016 . 2 . . . . . 145 ARG HD . 27305 1 1400 . 1 1 128 128 ARG CA C 13 53.973 0.024 . 1 . . . . . 145 ARG CA . 27305 1 1401 . 1 1 128 128 ARG CB C 13 30.187 0.068 . 1 . . . . . 145 ARG CB . 27305 1 1402 . 1 1 128 128 ARG CG C 13 26.941 0.059 . 1 . . . . . 145 ARG CG . 27305 1 1403 . 1 1 128 128 ARG CD C 13 43.401 0.005 . 1 . . . . . 145 ARG CD . 27305 1 1404 . 1 1 128 128 ARG N N 15 122.172 0.029 . 1 . . . . . 145 ARG N . 27305 1 1405 . 1 1 129 129 PRO HA H 1 4.399 0.009 . 1 . . . . . 146 PRO HA . 27305 1 1406 . 1 1 129 129 PRO HB2 H 1 2.275 0.005 . 2 . . . . . 146 PRO HB2 . 27305 1 1407 . 1 1 129 129 PRO HB3 H 1 1.881 0.003 . 2 . . . . . 146 PRO HB3 . 27305 1 1408 . 1 1 129 129 PRO HG2 H 1 2.024 0.002 . 2 . . . . . 146 PRO HG2 . 27305 1 1409 . 1 1 129 129 PRO HG3 H 1 1.973 0.002 . 2 . . . . . 146 PRO HG3 . 27305 1 1410 . 1 1 129 129 PRO HD2 H 1 3.773 0.004 . 2 . . . . . 146 PRO HD2 . 27305 1 1411 . 1 1 129 129 PRO HD3 H 1 3.583 0.006 . 2 . . . . . 146 PRO HD3 . 27305 1 1412 . 1 1 129 129 PRO C C 13 176.98 0 . 1 . . . . . 146 PRO C . 27305 1 1413 . 1 1 129 129 PRO CA C 13 63.253 0.074 . 1 . . . . . 146 PRO CA . 27305 1 1414 . 1 1 129 129 PRO CB C 13 32.085 0.015 . 1 . . . . . 146 PRO CB . 27305 1 1415 . 1 1 129 129 PRO CG C 13 27.5 0.032 . 1 . . . . . 146 PRO CG . 27305 1 1416 . 1 1 129 129 PRO CD C 13 50.663 0.034 . 1 . . . . . 146 PRO CD . 27305 1 1417 . 1 1 130 130 ARG H H 1 8.541 0.004 . 1 . . . . . 147 ARG H . 27305 1 1418 . 1 1 130 130 ARG HA H 1 4.283 0 . 1 . . . . . 147 ARG HA . 27305 1 1419 . 1 1 130 130 ARG HB2 H 1 1.829 0.018 . 2 . . . . . 147 ARG HB . 27305 1 1420 . 1 1 130 130 ARG HB3 H 1 1.829 0.018 . 2 . . . . . 147 ARG HB . 27305 1 1421 . 1 1 130 130 ARG HG2 H 1 1.67 0.004 . 2 . . . . . 147 ARG HG . 27305 1 1422 . 1 1 130 130 ARG HG3 H 1 1.67 0.004 . 2 . . . . . 147 ARG HG . 27305 1 1423 . 1 1 130 130 ARG HD2 H 1 3.16 0.004 . 2 . . . . . 147 ARG HD . 27305 1 1424 . 1 1 130 130 ARG HD3 H 1 3.16 0.004 . 2 . . . . . 147 ARG HD . 27305 1 1425 . 1 1 130 130 ARG C C 13 176.967 0 . 1 . . . . . 147 ARG C . 27305 1 1426 . 1 1 130 130 ARG CA C 13 56.533 0.049 . 1 . . . . . 147 ARG CA . 27305 1 1427 . 1 1 130 130 ARG CB C 13 30.741 0.011 . 1 . . . . . 147 ARG CB . 27305 1 1428 . 1 1 130 130 ARG CG C 13 26.98 0 . 1 . . . . . 147 ARG CG . 27305 1 1429 . 1 1 130 130 ARG CD C 13 43.383 0.017 . 1 . . . . . 147 ARG CD . 27305 1 1430 . 1 1 130 130 ARG N N 15 121.872 0.053 . 1 . . . . . 147 ARG N . 27305 1 1431 . 1 1 131 131 GLY H H 1 8.518 0.004 . 1 . . . . . 148 GLY H . 27305 1 1432 . 1 1 131 131 GLY HA2 H 1 3.976 0 . 2 . . . . . 148 GLY HA . 27305 1 1433 . 1 1 131 131 GLY HA3 H 1 3.976 0 . 2 . . . . . 148 GLY HA . 27305 1 1434 . 1 1 131 131 GLY C C 13 174.139 0 . 1 . . . . . 148 GLY C . 27305 1 1435 . 1 1 131 131 GLY CA C 13 45.377 0.081 . 1 . . . . . 148 GLY CA . 27305 1 1436 . 1 1 131 131 GLY N N 15 110.192 0.012 . 1 . . . . . 148 GLY N . 27305 1 1437 . 1 1 132 132 SER H H 1 8.217 0 . 1 . . . . . 149 SER H . 27305 1 1438 . 1 1 132 132 SER HA H 1 4.449 0.013 . 1 . . . . . 149 SER HA . 27305 1 1439 . 1 1 132 132 SER HB2 H 1 3.877 0.005 . 2 . . . . . 149 SER HB . 27305 1 1440 . 1 1 132 132 SER HB3 H 1 3.877 0.005 . 2 . . . . . 149 SER HB . 27305 1 1441 . 1 1 132 132 SER C C 13 174.511 0 . 1 . . . . . 149 SER C . 27305 1 1442 . 1 1 132 132 SER CA C 13 58.495 0.097 . 1 . . . . . 149 SER CA . 27305 1 1443 . 1 1 132 132 SER CB C 13 63.978 0.041 . 1 . . . . . 149 SER CB . 27305 1 1444 . 1 1 132 132 SER N N 15 115.704 0 . 1 . . . . . 149 SER N . 27305 1 1445 . 1 1 133 133 LEU H H 1 8.289 0.004 . 1 . . . . . 150 LEU H . 27305 1 1446 . 1 1 133 133 LEU HA H 1 4.359 0.017 . 1 . . . . . 150 LEU HA . 27305 1 1447 . 1 1 133 133 LEU HB2 H 1 1.626 0.011 . 2 . . . . . 150 LEU HB . 27305 1 1448 . 1 1 133 133 LEU HB3 H 1 1.626 0.011 . 2 . . . . . 150 LEU HB . 27305 1 1449 . 1 1 133 133 LEU HG H 1 1.64 0.001 . 1 . . . . . 150 LEU HG . 27305 1 1450 . 1 1 133 133 LEU HD11 H 1 0.917 0.003 . 1 . . . . . 150 LEU HD1 . 27305 1 1451 . 1 1 133 133 LEU HD12 H 1 0.917 0.003 . 1 . . . . . 150 LEU HD1 . 27305 1 1452 . 1 1 133 133 LEU HD13 H 1 0.917 0.003 . 1 . . . . . 150 LEU HD1 . 27305 1 1453 . 1 1 133 133 LEU HD21 H 1 0.858 0.001 . 1 . . . . . 150 LEU HD2 . 27305 1 1454 . 1 1 133 133 LEU HD22 H 1 0.858 0.001 . 1 . . . . . 150 LEU HD2 . 27305 1 1455 . 1 1 133 133 LEU HD23 H 1 0.858 0.001 . 1 . . . . . 150 LEU HD2 . 27305 1 1456 . 1 1 133 133 LEU C C 13 176.957 0 . 1 . . . . . 150 LEU C . 27305 1 1457 . 1 1 133 133 LEU CA C 13 55.25 0.083 . 1 . . . . . 150 LEU CA . 27305 1 1458 . 1 1 133 133 LEU CB C 13 42.359 0.049 . 1 . . . . . 150 LEU CB . 27305 1 1459 . 1 1 133 133 LEU CG C 13 27.026 0.012 . 1 . . . . . 150 LEU CG . 27305 1 1460 . 1 1 133 133 LEU CD1 C 13 25.009 0.051 . 1 . . . . . 150 LEU CD1 . 27305 1 1461 . 1 1 133 133 LEU CD2 C 13 23.443 0.039 . 1 . . . . . 150 LEU CD2 . 27305 1 1462 . 1 1 133 133 LEU N N 15 123.635 0.02 . 1 . . . . . 150 LEU N . 27305 1 1463 . 1 1 134 134 ALA H H 1 8.263 0.005 . 1 . . . . . 151 ALA H . 27305 1 1464 . 1 1 134 134 ALA HA H 1 4.308 0.001 . 1 . . . . . 151 ALA HA . 27305 1 1465 . 1 1 134 134 ALA HB1 H 1 1.323 0.004 . 1 . . . . . 151 ALA HB . 27305 1 1466 . 1 1 134 134 ALA HB2 H 1 1.323 0.004 . 1 . . . . . 151 ALA HB . 27305 1 1467 . 1 1 134 134 ALA HB3 H 1 1.323 0.004 . 1 . . . . . 151 ALA HB . 27305 1 1468 . 1 1 134 134 ALA C C 13 177.529 0 . 1 . . . . . 151 ALA C . 27305 1 1469 . 1 1 134 134 ALA CA C 13 52.632 0.082 . 1 . . . . . 151 ALA CA . 27305 1 1470 . 1 1 134 134 ALA CB C 13 19.317 0.051 . 1 . . . . . 151 ALA CB . 27305 1 1471 . 1 1 134 134 ALA N N 15 124.283 0.042 . 1 . . . . . 151 ALA N . 27305 1 1472 . 1 1 135 135 THR H H 1 7.931 0.004 . 1 . . . . . 152 THR H . 27305 1 1473 . 1 1 135 135 THR HA H 1 4.264 0.009 . 1 . . . . . 152 THR HA . 27305 1 1474 . 1 1 135 135 THR HB H 1 4.163 0.002 . 1 . . . . . 152 THR HB . 27305 1 1475 . 1 1 135 135 THR HG21 H 1 1.111 0.002 . 1 . . . . . 152 THR HG2 . 27305 1 1476 . 1 1 135 135 THR HG22 H 1 1.111 0.002 . 1 . . . . . 152 THR HG2 . 27305 1 1477 . 1 1 135 135 THR HG23 H 1 1.111 0.002 . 1 . . . . . 152 THR HG2 . 27305 1 1478 . 1 1 135 135 THR C C 13 174.125 0 . 1 . . . . . 152 THR C . 27305 1 1479 . 1 1 135 135 THR CA C 13 61.739 0.064 . 1 . . . . . 152 THR CA . 27305 1 1480 . 1 1 135 135 THR CB C 13 69.846 0.088 . 1 . . . . . 152 THR CB . 27305 1 1481 . 1 1 135 135 THR CG2 C 13 21.568 0.032 . 1 . . . . . 152 THR CG2 . 27305 1 1482 . 1 1 135 135 THR N N 15 112.448 0.037 . 1 . . . . . 152 THR N . 27305 1 1483 . 1 1 136 136 PHE H H 1 8.135 0.005 . 1 . . . . . 153 PHE H . 27305 1 1484 . 1 1 136 136 PHE HA H 1 4.665 0.019 . 1 . . . . . 153 PHE HA . 27305 1 1485 . 1 1 136 136 PHE HB2 H 1 3.159 0.052 . 2 . . . . . 153 PHE HB2 . 27305 1 1486 . 1 1 136 136 PHE HB3 H 1 3.037 0.011 . 2 . . . . . 153 PHE HB3 . 27305 1 1487 . 1 1 136 136 PHE HD1 H 1 7.244 0.008 . 3 . . . . . 153 PHE HD . 27305 1 1488 . 1 1 136 136 PHE HD2 H 1 7.244 0.008 . 3 . . . . . 153 PHE HD . 27305 1 1489 . 1 1 136 136 PHE HE1 H 1 7.336 0.01 . 3 . . . . . 153 PHE HE . 27305 1 1490 . 1 1 136 136 PHE HE2 H 1 7.336 0.01 . 3 . . . . . 153 PHE HE . 27305 1 1491 . 1 1 136 136 PHE C C 13 175.505 0 . 1 . . . . . 153 PHE C . 27305 1 1492 . 1 1 136 136 PHE CA C 13 57.664 0.054 . 1 . . . . . 153 PHE CA . 27305 1 1493 . 1 1 136 136 PHE CB C 13 39.572 0.014 . 1 . . . . . 153 PHE CB . 27305 1 1494 . 1 1 136 136 PHE N N 15 121.05 0.017 . 1 . . . . . 153 PHE N . 27305 1 1495 . 1 1 137 137 GLU H H 1 8.37 0.004 . 1 . . . . . 154 GLU H . 27305 1 1496 . 1 1 137 137 GLU HA H 1 4.321 0.006 . 1 . . . . . 154 GLU HA . 27305 1 1497 . 1 1 137 137 GLU HB2 H 1 2.033 0.008 . 2 . . . . . 154 GLU HB2 . 27305 1 1498 . 1 1 137 137 GLU HB3 H 1 1.939 0.007 . 2 . . . . . 154 GLU HB3 . 27305 1 1499 . 1 1 137 137 GLU HG2 H 1 2.192 0.016 . 2 . . . . . 154 GLU HG . 27305 1 1500 . 1 1 137 137 GLU HG3 H 1 2.192 0.016 . 2 . . . . . 154 GLU HG . 27305 1 1501 . 1 1 137 137 GLU C C 13 176.297 0 . 1 . . . . . 154 GLU C . 27305 1 1502 . 1 1 137 137 GLU CA C 13 56.781 0.083 . 1 . . . . . 154 GLU CA . 27305 1 1503 . 1 1 137 137 GLU CB C 13 30.458 0.002 . 1 . . . . . 154 GLU CB . 27305 1 1504 . 1 1 137 137 GLU CG C 13 36.407 0 . 1 . . . . . 154 GLU CG . 27305 1 1505 . 1 1 137 137 GLU N N 15 121.857 0.049 . 1 . . . . . 154 GLU N . 27305 1 1506 . 1 1 138 138 THR H H 1 8.109 0.005 . 1 . . . . . 155 THR H . 27305 1 1507 . 1 1 138 138 THR HA H 1 4.341 0.014 . 1 . . . . . 155 THR HA . 27305 1 1508 . 1 1 138 138 THR HB H 1 4.226 0.002 . 1 . . . . . 155 THR HB . 27305 1 1509 . 1 1 138 138 THR HG21 H 1 1.206 0.005 . 1 . . . . . 155 THR HG2 . 27305 1 1510 . 1 1 138 138 THR HG22 H 1 1.206 0.005 . 1 . . . . . 155 THR HG2 . 27305 1 1511 . 1 1 138 138 THR HG23 H 1 1.206 0.005 . 1 . . . . . 155 THR HG2 . 27305 1 1512 . 1 1 138 138 THR C C 13 174.388 0 . 1 . . . . . 155 THR C . 27305 1 1513 . 1 1 138 138 THR CA C 13 61.894 0.055 . 1 . . . . . 155 THR CA . 27305 1 1514 . 1 1 138 138 THR CB C 13 69.986 0.113 . 1 . . . . . 155 THR CB . 27305 1 1515 . 1 1 138 138 THR CG2 C 13 21.619 0.009 . 1 . . . . . 155 THR CG2 . 27305 1 1516 . 1 1 138 138 THR N N 15 114.536 0.011 . 1 . . . . . 155 THR N . 27305 1 1517 . 1 1 139 139 GLU H H 1 8.452 0.017 . 1 . . . . . 156 GLU H . 27305 1 1518 . 1 1 139 139 GLU HA H 1 4.287 0.003 . 1 . . . . . 156 GLU HA . 27305 1 1519 . 1 1 139 139 GLU HB2 H 1 2.072 0 . 2 . . . . . 156 GLU HB2 . 27305 1 1520 . 1 1 139 139 GLU HB3 H 1 1.95 0.003 . 2 . . . . . 156 GLU HB3 . 27305 1 1521 . 1 1 139 139 GLU HG2 H 1 2.286 0.012 . 2 . . . . . 156 GLU HG . 27305 1 1522 . 1 1 139 139 GLU HG3 H 1 2.286 0.012 . 2 . . . . . 156 GLU HG . 27305 1 1523 . 1 1 139 139 GLU C C 13 175.882 0 . 1 . . . . . 156 GLU C . 27305 1 1524 . 1 1 139 139 GLU CA C 13 56.636 0.072 . 1 . . . . . 156 GLU CA . 27305 1 1525 . 1 1 139 139 GLU CB C 13 30.351 0.027 . 1 . . . . . 156 GLU CB . 27305 1 1526 . 1 1 139 139 GLU CG C 13 36.404 0 . 1 . . . . . 156 GLU CG . 27305 1 1527 . 1 1 139 139 GLU N N 15 123.292 0.031 . 1 . . . . . 156 GLU N . 27305 1 1528 . 1 1 140 140 ALA H H 1 8.249 0.003 . 1 . . . . . 157 ALA H . 27305 1 1529 . 1 1 140 140 ALA HA H 1 4.299 0.009 . 1 . . . . . 157 ALA HA . 27305 1 1530 . 1 1 140 140 ALA HB1 H 1 1.367 0.004 . 1 . . . . . 157 ALA HB . 27305 1 1531 . 1 1 140 140 ALA HB2 H 1 1.367 0.004 . 1 . . . . . 157 ALA HB . 27305 1 1532 . 1 1 140 140 ALA HB3 H 1 1.367 0.004 . 1 . . . . . 157 ALA HB . 27305 1 1533 . 1 1 140 140 ALA C C 13 177.361 0 . 1 . . . . . 157 ALA C . 27305 1 1534 . 1 1 140 140 ALA CA C 13 52.389 0.006 . 1 . . . . . 157 ALA CA . 27305 1 1535 . 1 1 140 140 ALA CB C 13 19.616 0.069 . 1 . . . . . 157 ALA CB . 27305 1 1536 . 1 1 140 140 ALA N N 15 124.862 0.029 . 1 . . . . . 157 ALA N . 27305 1 1537 . 1 1 141 141 GLU H H 1 8.374 0.003 . 1 . . . . . 158 GLU H . 27305 1 1538 . 1 1 141 141 GLU HA H 1 4.292 0.006 . 1 . . . . . 158 GLU HA . 27305 1 1539 . 1 1 141 141 GLU HB2 H 1 2.052 0 . 2 . . . . . 158 GLU HB2 . 27305 1 1540 . 1 1 141 141 GLU HB3 H 1 1.932 0.001 . 2 . . . . . 158 GLU HB3 . 27305 1 1541 . 1 1 141 141 GLU HG2 H 1 2.281 0.011 . 2 . . . . . 158 GLU HG . 27305 1 1542 . 1 1 141 141 GLU HG3 H 1 2.281 0.011 . 2 . . . . . 158 GLU HG . 27305 1 1543 . 1 1 141 141 GLU C C 13 176.143 0 . 1 . . . . . 158 GLU C . 27305 1 1544 . 1 1 141 141 GLU CA C 13 56.511 0.045 . 1 . . . . . 158 GLU CA . 27305 1 1545 . 1 1 141 141 GLU CB C 13 30.245 0.006 . 1 . . . . . 158 GLU CB . 27305 1 1546 . 1 1 141 141 GLU CG C 13 36.41 0 . 1 . . . . . 158 GLU CG . 27305 1 1547 . 1 1 141 141 GLU N N 15 120.683 0.054 . 1 . . . . . 158 GLU N . 27305 1 1548 . 1 1 142 142 ILE H H 1 8.148 0.003 . 1 . . . . . 159 ILE H . 27305 1 1549 . 1 1 142 142 ILE HA H 1 4.228 0.001 . 1 . . . . . 159 ILE HA . 27305 1 1550 . 1 1 142 142 ILE HB H 1 1.888 0.002 . 1 . . . . . 159 ILE HB . 27305 1 1551 . 1 1 142 142 ILE HG12 H 1 1.45 0.009 . 2 . . . . . 159 ILE HG12 . 27305 1 1552 . 1 1 142 142 ILE HG13 H 1 1.15 0.004 . 2 . . . . . 159 ILE HG13 . 27305 1 1553 . 1 1 142 142 ILE HG21 H 1 0.918 0.002 . 1 . . . . . 159 ILE HG2 . 27305 1 1554 . 1 1 142 142 ILE HG22 H 1 0.918 0.002 . 1 . . . . . 159 ILE HG2 . 27305 1 1555 . 1 1 142 142 ILE HG23 H 1 0.918 0.002 . 1 . . . . . 159 ILE HG2 . 27305 1 1556 . 1 1 142 142 ILE HD11 H 1 0.854 0.005 . 1 . . . . . 159 ILE HD1 . 27305 1 1557 . 1 1 142 142 ILE HD12 H 1 0.854 0.005 . 1 . . . . . 159 ILE HD1 . 27305 1 1558 . 1 1 142 142 ILE HD13 H 1 0.854 0.005 . 1 . . . . . 159 ILE HD1 . 27305 1 1559 . 1 1 142 142 ILE C C 13 174.942 0 . 1 . . . . . 159 ILE C . 27305 1 1560 . 1 1 142 142 ILE CA C 13 61.068 0.043 . 1 . . . . . 159 ILE CA . 27305 1 1561 . 1 1 142 142 ILE CB C 13 39.399 0.028 . 1 . . . . . 159 ILE CB . 27305 1 1562 . 1 1 142 142 ILE CG1 C 13 26.847 0.074 . 1 . . . . . 159 ILE CG1 . 27305 1 1563 . 1 1 142 142 ILE CG2 C 13 17.64 0.005 . 1 . . . . . 159 ILE CG2 . 27305 1 1564 . 1 1 142 142 ILE CD1 C 13 13.177 0.012 . 1 . . . . . 159 ILE CD1 . 27305 1 1565 . 1 1 142 142 ILE N N 15 121.474 0.018 . 1 . . . . . 159 ILE N . 27305 1 1566 . 1 1 143 143 ASP H H 1 7.964 0.003 . 1 . . . . . 160 ASP H . 27305 1 1567 . 1 1 143 143 ASP HA H 1 4.215 0 . 1 . . . . . 160 ASP HA . 27305 1 1568 . 1 1 143 143 ASP HB2 H 1 2.577 0 . 2 . . . . . 160 ASP HB . 27305 1 1569 . 1 1 143 143 ASP HB3 H 1 2.577 0 . 2 . . . . . 160 ASP HB . 27305 1 1570 . 1 1 143 143 ASP CA C 13 55.997 0.001 . 1 . . . . . 160 ASP CA . 27305 1 1571 . 1 1 143 143 ASP CB C 13 42.382 0 . 1 . . . . . 160 ASP CB . 27305 1 1572 . 1 1 143 143 ASP N N 15 129.487 0.025 . 1 . . . . . 160 ASP N . 27305 1 stop_ save_