data_27951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27951 _Entry.Title ; 1H, 13C, and 15N Chemical shift assignments of gypsy moth Lymantria dispar pheromone-binding protein 1 (LdisPBP1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-19 _Entry.Accession_date 2019-06-19 _Entry.Last_release_date 2019-06-19 _Entry.Original_release_date 2019-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 Mailyn Terrado . . . . 27951 2 Mark Okon . . . . 27951 3 Lawrence McIntosh . . . . 27951 4 Erika Plettner . . . . 27951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 610 27951 '15N chemical shifts' 156 27951 '1H chemical shifts' 981 27951 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 2 . . 2021-08-23 2019-06-19 update BMRB 'update entry citation' 27951 1 . . 2020-09-18 2019-06-19 original author 'original release' 27951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27951 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32877603 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ligand- and pH-Induced Structural Transition of Gypsy Moth Lymantria dispar Pheromone-Binding Protein 1 (LdisPBP1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 57 _Citation.Journal_issue 37 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _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 3411 _Citation.Page_last 3426 _Citation.Year 2020 _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 Mailyn Terrado . . . . 27951 1 2 Mark Okon . . . . 27951 1 3 Lawrence McIntosh . . . . 27951 1 4 Erika Plettner . . . . 27951 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lymantria dispar' 27951 1 NMR 27951 1 olfaction 27951 1 'pheromone-binding protein' 27951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27951 _Assembly.ID 1 _Assembly.Name 'PBP1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 . _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 PBP1 1 $PBP1 A . yes native no no . . . 27951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PBP1 _Entity.Sf_category entity _Entity.Sf_framecode PBP1 _Entity.Entry_ID 27951 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PBP1 _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 ; GSGGGSKEVMKQMTINFAKP MEACKQELNVPDAVMQDFFN FWKEGYQITNREAGCVILCL AKKLELLDQDMNLHHGKAME FAMKHGADEAMAKQLLDIKH SCEKVITIVADDPCQTMLNL AMCFKAEIHKLDWAPTLDVA VGELLADT ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 -4 GLY . 27951 1 2 -3 SER . 27951 1 3 -2 GLY . 27951 1 4 -1 GLY . 27951 1 5 0 GLY . 27951 1 6 1 SER . 27951 1 7 2 LYS . 27951 1 8 3 GLU . 27951 1 9 4 VAL . 27951 1 10 5 MET . 27951 1 11 6 LYS . 27951 1 12 7 GLN . 27951 1 13 8 MET . 27951 1 14 9 THR . 27951 1 15 10 ILE . 27951 1 16 11 ASN . 27951 1 17 12 PHE . 27951 1 18 13 ALA . 27951 1 19 14 LYS . 27951 1 20 15 PRO . 27951 1 21 16 MET . 27951 1 22 17 GLU . 27951 1 23 18 ALA . 27951 1 24 19 CYS . 27951 1 25 20 LYS . 27951 1 26 21 GLN . 27951 1 27 22 GLU . 27951 1 28 23 LEU . 27951 1 29 24 ASN . 27951 1 30 25 VAL . 27951 1 31 26 PRO . 27951 1 32 27 ASP . 27951 1 33 28 ALA . 27951 1 34 29 VAL . 27951 1 35 30 MET . 27951 1 36 31 GLN . 27951 1 37 32 ASP . 27951 1 38 33 PHE . 27951 1 39 34 PHE . 27951 1 40 35 ASN . 27951 1 41 36 PHE . 27951 1 42 37 TRP . 27951 1 43 38 LYS . 27951 1 44 39 GLU . 27951 1 45 40 GLY . 27951 1 46 41 TYR . 27951 1 47 42 GLN . 27951 1 48 43 ILE . 27951 1 49 44 THR . 27951 1 50 45 ASN . 27951 1 51 46 ARG . 27951 1 52 47 GLU . 27951 1 53 48 ALA . 27951 1 54 49 GLY . 27951 1 55 50 CYS . 27951 1 56 51 VAL . 27951 1 57 52 ILE . 27951 1 58 53 LEU . 27951 1 59 54 CYS . 27951 1 60 55 LEU . 27951 1 61 56 ALA . 27951 1 62 57 LYS . 27951 1 63 58 LYS . 27951 1 64 59 LEU . 27951 1 65 60 GLU . 27951 1 66 61 LEU . 27951 1 67 62 LEU . 27951 1 68 63 ASP . 27951 1 69 64 GLN . 27951 1 70 65 ASP . 27951 1 71 66 MET . 27951 1 72 67 ASN . 27951 1 73 68 LEU . 27951 1 74 69 HIS . 27951 1 75 70 HIS . 27951 1 76 71 GLY . 27951 1 77 72 LYS . 27951 1 78 73 ALA . 27951 1 79 74 MET . 27951 1 80 75 GLU . 27951 1 81 76 PHE . 27951 1 82 77 ALA . 27951 1 83 78 MET . 27951 1 84 79 LYS . 27951 1 85 80 HIS . 27951 1 86 81 GLY . 27951 1 87 82 ALA . 27951 1 88 83 ASP . 27951 1 89 84 GLU . 27951 1 90 85 ALA . 27951 1 91 86 MET . 27951 1 92 87 ALA . 27951 1 93 88 LYS . 27951 1 94 89 GLN . 27951 1 95 90 LEU . 27951 1 96 91 LEU . 27951 1 97 92 ASP . 27951 1 98 93 ILE . 27951 1 99 94 LYS . 27951 1 100 95 HIS . 27951 1 101 96 SER . 27951 1 102 97 CYS . 27951 1 103 98 GLU . 27951 1 104 99 LYS . 27951 1 105 100 VAL . 27951 1 106 101 ILE . 27951 1 107 102 THR . 27951 1 108 103 ILE . 27951 1 109 104 VAL . 27951 1 110 105 ALA . 27951 1 111 106 ASP . 27951 1 112 107 ASP . 27951 1 113 108 PRO . 27951 1 114 109 CYS . 27951 1 115 110 GLN . 27951 1 116 111 THR . 27951 1 117 112 MET . 27951 1 118 113 LEU . 27951 1 119 114 ASN . 27951 1 120 115 LEU . 27951 1 121 116 ALA . 27951 1 122 117 MET . 27951 1 123 118 CYS . 27951 1 124 119 PHE . 27951 1 125 120 LYS . 27951 1 126 121 ALA . 27951 1 127 122 GLU . 27951 1 128 123 ILE . 27951 1 129 124 HIS . 27951 1 130 125 LYS . 27951 1 131 126 LEU . 27951 1 132 127 ASP . 27951 1 133 128 TRP . 27951 1 134 129 ALA . 27951 1 135 130 PRO . 27951 1 136 131 THR . 27951 1 137 132 LEU . 27951 1 138 133 ASP . 27951 1 139 134 VAL . 27951 1 140 135 ALA . 27951 1 141 136 VAL . 27951 1 142 137 GLY . 27951 1 143 138 GLU . 27951 1 144 139 LEU . 27951 1 145 140 LEU . 27951 1 146 141 ALA . 27951 1 147 142 ASP . 27951 1 148 143 THR . 27951 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27951 1 . SER 2 2 27951 1 . GLY 3 3 27951 1 . GLY 4 4 27951 1 . GLY 5 5 27951 1 . SER 6 6 27951 1 . LYS 7 7 27951 1 . GLU 8 8 27951 1 . VAL 9 9 27951 1 . MET 10 10 27951 1 . LYS 11 11 27951 1 . GLN 12 12 27951 1 . MET 13 13 27951 1 . THR 14 14 27951 1 . ILE 15 15 27951 1 . ASN 16 16 27951 1 . PHE 17 17 27951 1 . ALA 18 18 27951 1 . LYS 19 19 27951 1 . PRO 20 20 27951 1 . MET 21 21 27951 1 . GLU 22 22 27951 1 . ALA 23 23 27951 1 . CYS 24 24 27951 1 . LYS 25 25 27951 1 . GLN 26 26 27951 1 . GLU 27 27 27951 1 . LEU 28 28 27951 1 . ASN 29 29 27951 1 . VAL 30 30 27951 1 . PRO 31 31 27951 1 . ASP 32 32 27951 1 . ALA 33 33 27951 1 . VAL 34 34 27951 1 . MET 35 35 27951 1 . GLN 36 36 27951 1 . ASP 37 37 27951 1 . PHE 38 38 27951 1 . PHE 39 39 27951 1 . ASN 40 40 27951 1 . PHE 41 41 27951 1 . TRP 42 42 27951 1 . LYS 43 43 27951 1 . GLU 44 44 27951 1 . GLY 45 45 27951 1 . TYR 46 46 27951 1 . GLN 47 47 27951 1 . ILE 48 48 27951 1 . THR 49 49 27951 1 . ASN 50 50 27951 1 . ARG 51 51 27951 1 . GLU 52 52 27951 1 . ALA 53 53 27951 1 . GLY 54 54 27951 1 . CYS 55 55 27951 1 . VAL 56 56 27951 1 . ILE 57 57 27951 1 . LEU 58 58 27951 1 . CYS 59 59 27951 1 . LEU 60 60 27951 1 . ALA 61 61 27951 1 . LYS 62 62 27951 1 . LYS 63 63 27951 1 . LEU 64 64 27951 1 . GLU 65 65 27951 1 . LEU 66 66 27951 1 . LEU 67 67 27951 1 . ASP 68 68 27951 1 . GLN 69 69 27951 1 . ASP 70 70 27951 1 . MET 71 71 27951 1 . ASN 72 72 27951 1 . LEU 73 73 27951 1 . HIS 74 74 27951 1 . HIS 75 75 27951 1 . GLY 76 76 27951 1 . LYS 77 77 27951 1 . ALA 78 78 27951 1 . MET 79 79 27951 1 . GLU 80 80 27951 1 . PHE 81 81 27951 1 . ALA 82 82 27951 1 . MET 83 83 27951 1 . LYS 84 84 27951 1 . HIS 85 85 27951 1 . GLY 86 86 27951 1 . ALA 87 87 27951 1 . ASP 88 88 27951 1 . GLU 89 89 27951 1 . ALA 90 90 27951 1 . MET 91 91 27951 1 . ALA 92 92 27951 1 . LYS 93 93 27951 1 . GLN 94 94 27951 1 . LEU 95 95 27951 1 . LEU 96 96 27951 1 . ASP 97 97 27951 1 . ILE 98 98 27951 1 . LYS 99 99 27951 1 . HIS 100 100 27951 1 . SER 101 101 27951 1 . CYS 102 102 27951 1 . GLU 103 103 27951 1 . LYS 104 104 27951 1 . VAL 105 105 27951 1 . ILE 106 106 27951 1 . THR 107 107 27951 1 . ILE 108 108 27951 1 . VAL 109 109 27951 1 . ALA 110 110 27951 1 . ASP 111 111 27951 1 . ASP 112 112 27951 1 . PRO 113 113 27951 1 . CYS 114 114 27951 1 . GLN 115 115 27951 1 . THR 116 116 27951 1 . MET 117 117 27951 1 . LEU 118 118 27951 1 . ASN 119 119 27951 1 . LEU 120 120 27951 1 . ALA 121 121 27951 1 . MET 122 122 27951 1 . CYS 123 123 27951 1 . PHE 124 124 27951 1 . LYS 125 125 27951 1 . ALA 126 126 27951 1 . GLU 127 127 27951 1 . ILE 128 128 27951 1 . HIS 129 129 27951 1 . LYS 130 130 27951 1 . LEU 131 131 27951 1 . ASP 132 132 27951 1 . TRP 133 133 27951 1 . ALA 134 134 27951 1 . PRO 135 135 27951 1 . THR 136 136 27951 1 . LEU 137 137 27951 1 . ASP 138 138 27951 1 . VAL 139 139 27951 1 . ALA 140 140 27951 1 . VAL 141 141 27951 1 . GLY 142 142 27951 1 . GLU 143 143 27951 1 . LEU 144 144 27951 1 . LEU 145 145 27951 1 . ALA 146 146 27951 1 . ASP 147 147 27951 1 . THR 148 148 27951 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 27951 _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 $PBP1 . 13123 organism . 'Lymantria dispar' 'gypsy moth' . . Eukaryota Metazoa Lymantria dispar . . . . . . . . . . . . . 27951 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 27951 _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 $PBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET30Xa/LIC . . . 27951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27951 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PBP 1 in 50 mM sodium acetate pH 4.5 buffer, 1 mM EDTA, 0.05% sodium azide, 5% D2O' _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 PBP1 '[U-100% 13C; U-100% 15N]' . . 1 $PBP1 . . 1.2 . . mM . . . . 27951 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 27951 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27951 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 27951 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 27951 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.05 . M 27951 1 pH 4.5 . pH 27951 1 pressure 1 . atm 27951 1 temperature 273 . K 27951 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27951 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27951 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 27951 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27951 _Software.ID 2 _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' . . 27951 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27951 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27951 _Software.ID 3 _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 . . 27951 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27951 3 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 27951 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 27951 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 AMX . 600 . . . 27951 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 27951 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27951 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 27951 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27951 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27951 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27951 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 27951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27951 1 2 '2D 1H-13C HSQC' . . . 27951 1 3 '3D HNCACB' . . . 27951 1 4 '3D CBCA(CO)NH' . . . 27951 1 5 '3D HNCO' . . . 27951 1 6 '3D HNCA' . . . 27951 1 7 '3D C(CO)NH' . . . 27951 1 8 '3D HBHA(CO)NH' . . . 27951 1 9 '3D H(CCO)NH' . . . 27951 1 10 '3D HCCH-TOCSY' . . . 27951 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 6 6 SER H H 1 8.267 0.01 . 1 . . . . . 1 SER H . 27951 1 2 . 1 . 1 6 6 SER HA H 1 4.428 0.01 . 1 . . . . . 1 SER HA . 27951 1 3 . 1 . 1 6 6 SER HB2 H 1 3.913 0.01 . 2 . . . . . 1 SER HB2 . 27951 1 4 . 1 . 1 6 6 SER HB3 H 1 3.877 0.01 . 2 . . . . . 1 SER HB3 . 27951 1 5 . 1 . 1 6 6 SER C C 13 175.098 0.04 . 1 . . . . . 1 SER C . 27951 1 6 . 1 . 1 6 6 SER CA C 13 58.828 0.02 . 1 . . . . . 1 SER CA . 27951 1 7 . 1 . 1 6 6 SER CB C 13 63.919 0.07 . 1 . . . . . 1 SER CB . 27951 1 8 . 1 . 1 6 6 SER N N 15 115.849 0.07 . 1 . . . . . 1 SER N . 27951 1 9 . 1 . 1 7 7 LYS H H 1 8.393 0.01 . 1 . . . . . 2 LYS H . 27951 1 10 . 1 . 1 7 7 LYS HA H 1 4.290 0.01 . 1 . . . . . 2 LYS HA . 27951 1 11 . 1 . 1 7 7 LYS HB2 H 1 1.829 0.01 . 2 . . . . . 2 LYS HB2 . 27951 1 12 . 1 . 1 7 7 LYS HB3 H 1 1.796 0.01 . 2 . . . . . 2 LYS HB3 . 27951 1 13 . 1 . 1 7 7 LYS HG2 H 1 1.465 0.01 . 2 . . . . . 2 LYS HG2 . 27951 1 14 . 1 . 1 7 7 LYS HG3 H 1 1.422 0.01 . 2 . . . . . 2 LYS HG3 . 27951 1 15 . 1 . 1 7 7 LYS HD2 H 1 1.675 0.01 . 2 . . . . . 2 LYS HD2 . 27951 1 16 . 1 . 1 7 7 LYS HD3 H 1 1.675 0.01 . 2 . . . . . 2 LYS HD3 . 27951 1 17 . 1 . 1 7 7 LYS HE2 H 1 2.988 0.01 . 2 . . . . . 2 LYS HE2 . 27951 1 18 . 1 . 1 7 7 LYS HE3 H 1 2.988 0.01 . 2 . . . . . 2 LYS HE3 . 27951 1 19 . 1 . 1 7 7 LYS C C 13 177.015 0.04 . 1 . . . . . 2 LYS C . 27951 1 20 . 1 . 1 7 7 LYS CA C 13 57.075 0.03 . 1 . . . . . 2 LYS CA . 27951 1 21 . 1 . 1 7 7 LYS CB C 13 32.811 0.08 . 1 . . . . . 2 LYS CB . 27951 1 22 . 1 . 1 7 7 LYS CG C 13 24.625 0.08 . 1 . . . . . 2 LYS CG . 27951 1 23 . 1 . 1 7 7 LYS CD C 13 29.072 0.08 . 1 . . . . . 2 LYS CD . 27951 1 24 . 1 . 1 7 7 LYS CE C 13 42.349 0.08 . 1 . . . . . 2 LYS CE . 27951 1 25 . 1 . 1 7 7 LYS N N 15 122.998 0.04 . 1 . . . . . 2 LYS N . 27951 1 26 . 1 . 1 8 8 GLU H H 1 8.277 0.01 . 1 . . . . . 3 GLU H . 27951 1 27 . 1 . 1 8 8 GLU HA H 1 4.295 0.01 . 1 . . . . . 3 GLU HA . 27951 1 28 . 1 . 1 8 8 GLU HB2 H 1 2.067 0.02 . 2 . . . . . 3 GLU HB2 . 27951 1 29 . 1 . 1 8 8 GLU HB3 H 1 1.971 0.01 . 2 . . . . . 3 GLU HB3 . 27951 1 30 . 1 . 1 8 8 GLU HG2 H 1 2.315 0.01 . 2 . . . . . 3 GLU HG2 . 27951 1 31 . 1 . 1 8 8 GLU HG3 H 1 2.315 0.01 . 2 . . . . . 3 GLU HG3 . 27951 1 32 . 1 . 1 8 8 GLU C C 13 176.933 0.04 . 1 . . . . . 3 GLU C . 27951 1 33 . 1 . 1 8 8 GLU CA C 13 56.987 0.04 . 1 . . . . . 3 GLU CA . 27951 1 34 . 1 . 1 8 8 GLU CB C 13 29.700 0.06 . 1 . . . . . 3 GLU CB . 27951 1 35 . 1 . 1 8 8 GLU CG C 13 35.592 0.16 . 1 . . . . . 3 GLU CG . 27951 1 36 . 1 . 1 8 8 GLU N N 15 121.440 0.18 . 1 . . . . . 3 GLU N . 27951 1 37 . 1 . 1 9 9 VAL H H 1 8.044 0.01 . 1 . . . . . 4 VAL H . 27951 1 38 . 1 . 1 9 9 VAL HA H 1 4.034 0.01 . 1 . . . . . 4 VAL HA . 27951 1 39 . 1 . 1 9 9 VAL HB H 1 2.105 0.01 . 1 . . . . . 4 VAL HB . 27951 1 40 . 1 . 1 9 9 VAL HG11 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG11 . 27951 1 41 . 1 . 1 9 9 VAL HG12 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG12 . 27951 1 42 . 1 . 1 9 9 VAL HG13 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG13 . 27951 1 43 . 1 . 1 9 9 VAL HG21 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG21 . 27951 1 44 . 1 . 1 9 9 VAL HG22 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG22 . 27951 1 45 . 1 . 1 9 9 VAL HG23 H 1 0.988 0.01 . 2 . . . . . 4 VAL HG23 . 27951 1 46 . 1 . 1 9 9 VAL C C 13 176.895 0.05 . 1 . . . . . 4 VAL C . 27951 1 47 . 1 . 1 9 9 VAL CA C 13 63.364 0.08 . 1 . . . . . 4 VAL CA . 27951 1 48 . 1 . 1 9 9 VAL CB C 13 32.630 0.06 . 1 . . . . . 4 VAL CB . 27951 1 49 . 1 . 1 9 9 VAL CG1 C 13 21.351 0.06 . 2 . . . . . 4 VAL CG1 . 27951 1 50 . 1 . 1 9 9 VAL CG2 C 13 21.351 0.06 . 2 . . . . . 4 VAL CG2 . 27951 1 51 . 1 . 1 9 9 VAL N N 15 120.610 0.21 . 1 . . . . . 4 VAL N . 27951 1 52 . 1 . 1 10 10 MET H H 1 8.336 0.01 . 1 . . . . . 5 MET H . 27951 1 53 . 1 . 1 10 10 MET HA H 1 4.359 0.01 . 1 . . . . . 5 MET HA . 27951 1 54 . 1 . 1 10 10 MET HB2 H 1 2.027 0.01 . 2 . . . . . 5 MET HB2 . 27951 1 55 . 1 . 1 10 10 MET HB3 H 1 2.027 0.01 . 2 . . . . . 5 MET HB3 . 27951 1 56 . 1 . 1 10 10 MET HG2 H 1 2.552 0.01 . 2 . . . . . 5 MET HG2 . 27951 1 57 . 1 . 1 10 10 MET HG3 H 1 2.552 0.01 . 2 . . . . . 5 MET HG3 . 27951 1 58 . 1 . 1 10 10 MET C C 13 176.899 0.05 . 1 . . . . . 5 MET C . 27951 1 59 . 1 . 1 10 10 MET CA C 13 56.572 0.04 . 1 . . . . . 5 MET CA . 27951 1 60 . 1 . 1 10 10 MET CB C 13 32.471 0.04 . 1 . . . . . 5 MET CB . 27951 1 61 . 1 . 1 10 10 MET CG C 13 31.092 0.04 . 1 . . . . . 5 MET CG . 27951 1 62 . 1 . 1 10 10 MET N N 15 122.058 0.09 . 1 . . . . . 5 MET N . 27951 1 63 . 1 . 1 11 11 LYS H H 1 8.156 0.01 . 1 . . . . . 6 LYS H . 27951 1 64 . 1 . 1 11 11 LYS HA H 1 4.172 0.01 . 1 . . . . . 6 LYS HA . 27951 1 65 . 1 . 1 11 11 LYS HB2 H 1 1.832 0.01 . 2 . . . . . 6 LYS HB2 . 27951 1 66 . 1 . 1 11 11 LYS HB3 H 1 1.897 0.01 . 2 . . . . . 6 LYS HB3 . 27951 1 67 . 1 . 1 11 11 LYS HG2 H 1 1.476 0.01 . 2 . . . . . 6 LYS HG2 . 27951 1 68 . 1 . 1 11 11 LYS HG3 H 1 1.500 0.01 . 2 . . . . . 6 LYS HG3 . 27951 1 69 . 1 . 1 11 11 LYS HD2 H 1 1.707 0.01 . 2 . . . . . 6 LYS HD2 . 27951 1 70 . 1 . 1 11 11 LYS HD3 H 1 1.707 0.01 . 2 . . . . . 6 LYS HD3 . 27951 1 71 . 1 . 1 11 11 LYS HE2 H 1 2.993 0.01 . 2 . . . . . 6 LYS HE2 . 27951 1 72 . 1 . 1 11 11 LYS HE3 H 1 2.993 0.01 . 2 . . . . . 6 LYS HE3 . 27951 1 73 . 1 . 1 11 11 LYS C C 13 176.950 0.07 . 1 . . . . . 6 LYS C . 27951 1 74 . 1 . 1 11 11 LYS CA C 13 57.649 0.09 . 1 . . . . . 6 LYS CA . 27951 1 75 . 1 . 1 11 11 LYS CB C 13 32.859 0.06 . 1 . . . . . 6 LYS CB . 27951 1 76 . 1 . 1 11 11 LYS N N 15 122.499 0.07 . 1 . . . . . 6 LYS N . 27951 1 77 . 1 . 1 12 12 GLN H H 1 8.099 0.01 . 1 . . . . . 7 GLN H . 27951 1 78 . 1 . 1 12 12 GLN HE21 H 1 6.859 0.01 . 2 . . . . . 7 GLN HE21 . 27951 1 79 . 1 . 1 12 12 GLN HE22 H 1 7.471 0.01 . 2 . . . . . 7 GLN HE22 . 27951 1 80 . 1 . 1 12 12 GLN C C 13 176.488 0.05 . 1 . . . . . 7 GLN C . 27951 1 81 . 1 . 1 12 12 GLN CA C 13 56.638 0.05 . 1 . . . . . 7 GLN CA . 27951 1 82 . 1 . 1 12 12 GLN CB C 13 29.560 0.05 . 1 . . . . . 7 GLN CB . 27951 1 83 . 1 . 1 12 12 GLN CG C 13 33.767 0.05 . 1 . . . . . 7 GLN CG . 27951 1 84 . 1 . 1 12 12 GLN N N 15 119.351 0.06 . 1 . . . . . 7 GLN N . 27951 1 85 . 1 . 1 12 12 GLN NE2 N 15 112.113 0.13 . 1 . . . . . 7 GLN NE2 . 27951 1 86 . 1 . 1 16 16 ASN HD21 H 1 7.011 0.01 . 2 . . . . . 11 ASN HD21 . 27951 1 87 . 1 . 1 16 16 ASN HD22 H 1 7.730 0.01 . 2 . . . . . 11 ASN HD22 . 27951 1 88 . 1 . 1 16 16 ASN ND2 N 15 111.375 0.01 . 1 . . . . . 11 ASN ND2 . 27951 1 89 . 1 . 1 18 18 ALA HA H 1 4.089 0.01 . 1 . . . . . 13 ALA HA . 27951 1 90 . 1 . 1 18 18 ALA HB1 H 1 1.567 0.01 . 2 . . . . . 13 ALA HB1 . 27951 1 91 . 1 . 1 18 18 ALA HB2 H 1 1.567 0.01 . 2 . . . . . 13 ALA HB2 . 27951 1 92 . 1 . 1 18 18 ALA HB3 H 1 1.567 0.01 . 2 . . . . . 13 ALA HB3 . 27951 1 93 . 1 . 1 18 18 ALA C C 13 180.136 0.04 . 1 . . . . . 13 ALA C . 27951 1 94 . 1 . 1 18 18 ALA CA C 13 57.443 0.04 . 1 . . . . . 13 ALA CA . 27951 1 95 . 1 . 1 18 18 ALA CB C 13 19.089 0.03 . 1 . . . . . 13 ALA CB . 27951 1 96 . 1 . 1 19 19 LYS H H 1 9.376 0.01 . 1 . . . . . 14 LYS H . 27951 1 97 . 1 . 1 19 19 LYS HA H 1 4.386 0.01 . 1 . . . . . 14 LYS HA . 27951 1 98 . 1 . 1 19 19 LYS HB2 H 1 1.986 0.01 . 2 . . . . . 14 LYS HB2 . 27951 1 99 . 1 . 1 19 19 LYS HB3 H 1 1.986 0.01 . 2 . . . . . 14 LYS HB3 . 27951 1 100 . 1 . 1 19 19 LYS HG2 H 1 1.618 0.01 . 2 . . . . . 14 LYS HG2 . 27951 1 101 . 1 . 1 19 19 LYS HG3 H 1 1.618 0.01 . 2 . . . . . 14 LYS HG3 . 27951 1 102 . 1 . 1 19 19 LYS HD2 H 1 1.806 0.01 . 2 . . . . . 14 LYS HD2 . 27951 1 103 . 1 . 1 19 19 LYS HD3 H 1 1.806 0.01 . 2 . . . . . 14 LYS HD3 . 27951 1 104 . 1 . 1 19 19 LYS HE2 H 1 3.052 0.01 . 2 . . . . . 14 LYS HE2 . 27951 1 105 . 1 . 1 19 19 LYS HE3 H 1 3.052 0.01 . 2 . . . . . 14 LYS HE3 . 27951 1 106 . 1 . 1 19 19 LYS C C 13 177.716 0.05 . 1 . . . . . 14 LYS C . 27951 1 107 . 1 . 1 19 19 LYS CA C 13 61.208 0.04 . 1 . . . . . 14 LYS CA . 27951 1 108 . 1 . 1 19 19 LYS CB C 13 29.494 0.04 . 1 . . . . . 14 LYS CB . 27951 1 109 . 1 . 1 19 19 LYS N N 15 115.630 0.05 . 1 . . . . . 14 LYS N . 27951 1 110 . 1 . 1 20 20 PRO HA H 1 4.244 0.01 . 1 . . . . . 15 PRO HA . 27951 1 111 . 1 . 1 20 20 PRO HB2 H 1 2.305 0.01 . 2 . . . . . 15 PRO HB2 . 27951 1 112 . 1 . 1 20 20 PRO HB3 H 1 1.804 0.01 . 2 . . . . . 15 PRO HB3 . 27951 1 113 . 1 . 1 20 20 PRO HG2 H 1 2.054 0.01 . 2 . . . . . 15 PRO HG2 . 27951 1 114 . 1 . 1 20 20 PRO HG3 H 1 1.960 0.01 . 2 . . . . . 15 PRO HG3 . 27951 1 115 . 1 . 1 20 20 PRO HD2 H 1 3.748 0.01 . 2 . . . . . 15 PRO HD2 . 27951 1 116 . 1 . 1 20 20 PRO HD3 H 1 3.262 0.01 . 2 . . . . . 15 PRO HD3 . 27951 1 117 . 1 . 1 20 20 PRO C C 13 177.762 0.07 . 1 . . . . . 15 PRO C . 27951 1 118 . 1 . 1 20 20 PRO CA C 13 66.261 0.05 . 1 . . . . . 15 PRO CA . 27951 1 119 . 1 . 1 20 20 PRO CB C 13 31.343 0.03 . 1 . . . . . 15 PRO CB . 27951 1 120 . 1 . 1 20 20 PRO CG C 13 27.849 0.02 . 1 . . . . . 15 PRO CG . 27951 1 121 . 1 . 1 20 20 PRO CD C 13 49.377 0.03 . 1 . . . . . 15 PRO CD . 27951 1 122 . 1 . 1 21 21 MET H H 1 8.326 0.01 . 1 . . . . . 16 MET H . 27951 1 123 . 1 . 1 21 21 MET HA H 1 3.764 0.01 . 1 . . . . . 16 MET HA . 27951 1 124 . 1 . 1 21 21 MET HB2 H 1 2.260 0.01 . 2 . . . . . 16 MET HB2 . 27951 1 125 . 1 . 1 21 21 MET HB3 H 1 2.018 0.01 . 2 . . . . . 16 MET HB3 . 27951 1 126 . 1 . 1 21 21 MET HG2 H 1 2.694 0.01 . 2 . . . . . 16 MET HG2 . 27951 1 127 . 1 . 1 21 21 MET HG3 H 1 2.310 0.01 . 2 . . . . . 16 MET HG3 . 27951 1 128 . 1 . 1 21 21 MET C C 13 177.813 0.04 . 1 . . . . . 16 MET C . 27951 1 129 . 1 . 1 21 21 MET CA C 13 60.030 0.06 . 1 . . . . . 16 MET CA . 27951 1 130 . 1 . 1 21 21 MET CB C 13 32.406 0.01 . 1 . . . . . 16 MET CB . 27951 1 131 . 1 . 1 21 21 MET CG C 13 34.364 0.04 . 1 . . . . . 16 MET CG . 27951 1 132 . 1 . 1 21 21 MET N N 15 116.311 0.13 . 1 . . . . . 16 MET N . 27951 1 133 . 1 . 1 22 22 GLU H H 1 8.156 0.01 . 1 . . . . . 17 GLU H . 27951 1 134 . 1 . 1 22 22 GLU HA H 1 4.053 0.01 . 1 . . . . . 17 GLU HA . 27951 1 135 . 1 . 1 22 22 GLU HB2 H 1 2.211 0.01 . 2 . . . . . 17 GLU HB2 . 27951 1 136 . 1 . 1 22 22 GLU HB3 H 1 2.148 0.01 . 2 . . . . . 17 GLU HB3 . 27951 1 137 . 1 . 1 22 22 GLU HG2 H 1 2.413 0.01 . 2 . . . . . 17 GLU HG2 . 27951 1 138 . 1 . 1 22 22 GLU HG3 H 1 2.413 0.01 . 2 . . . . . 17 GLU HG3 . 27951 1 139 . 1 . 1 22 22 GLU C C 13 178.870 0.04 . 1 . . . . . 17 GLU C . 27951 1 140 . 1 . 1 22 22 GLU CA C 13 59.374 0.04 . 1 . . . . . 17 GLU CA . 27951 1 141 . 1 . 1 22 22 GLU CB C 13 28.992 0.05 . 1 . . . . . 17 GLU CB . 27951 1 142 . 1 . 1 22 22 GLU CG C 13 35.115 0.05 . 1 . . . . . 17 GLU CG . 27951 1 143 . 1 . 1 22 22 GLU N N 15 120.849 0.05 . 1 . . . . . 17 GLU N . 27951 1 144 . 1 . 1 23 23 ALA H H 1 7.673 0.01 . 1 . . . . . 18 ALA H . 27951 1 145 . 1 . 1 23 23 ALA HA H 1 4.196 0.01 . 1 . . . . . 18 ALA HA . 27951 1 146 . 1 . 1 23 23 ALA HB1 H 1 1.404 0.01 . 2 . . . . . 18 ALA HB1 . 27951 1 147 . 1 . 1 23 23 ALA HB2 H 1 1.404 0.01 . 2 . . . . . 18 ALA HB2 . 27951 1 148 . 1 . 1 23 23 ALA HB3 H 1 1.404 0.01 . 2 . . . . . 18 ALA HB3 . 27951 1 149 . 1 . 1 23 23 ALA C C 13 181.315 0.04 . 1 . . . . . 18 ALA C . 27951 1 150 . 1 . 1 23 23 ALA CA C 13 54.908 0.06 . 1 . . . . . 18 ALA CA . 27951 1 151 . 1 . 1 23 23 ALA CB C 13 18.300 0.02 . 1 . . . . . 18 ALA CB . 27951 1 152 . 1 . 1 23 23 ALA N N 15 120.817 0.06 . 1 . . . . . 18 ALA N . 27951 1 153 . 1 . 1 24 24 CYS H H 1 8.506 0.01 . 1 . . . . . 19 CYS H . 27951 1 154 . 1 . 1 24 24 CYS HA H 1 4.223 0.01 . 1 . . . . . 19 CYS HA . 27951 1 155 . 1 . 1 24 24 CYS HB2 H 1 2.962 0.01 . 2 . . . . . 19 CYS HB2 . 27951 1 156 . 1 . 1 24 24 CYS HB3 H 1 2.545 0.01 . 2 . . . . . 19 CYS HB3 . 27951 1 157 . 1 . 1 24 24 CYS C C 13 175.391 0.03 . 1 . . . . . 19 CYS C . 27951 1 158 . 1 . 1 24 24 CYS CA C 13 60.271 0.07 . 1 . . . . . 19 CYS CA . 27951 1 159 . 1 . 1 24 24 CYS CB C 13 41.836 0.02 . 1 . . . . . 19 CYS CB . 27951 1 160 . 1 . 1 24 24 CYS N N 15 116.451 0.07 . 1 . . . . . 19 CYS N . 27951 1 161 . 1 . 1 25 25 LYS H H 1 8.783 0.01 . 1 . . . . . 20 LYS H . 27951 1 162 . 1 . 1 25 25 LYS HA H 1 3.975 0.01 . 1 . . . . . 20 LYS HA . 27951 1 163 . 1 . 1 25 25 LYS HB2 H 1 1.998 0.01 . 2 . . . . . 20 LYS HB2 . 27951 1 164 . 1 . 1 25 25 LYS HB3 H 1 1.933 0.01 . 2 . . . . . 20 LYS HB3 . 27951 1 165 . 1 . 1 25 25 LYS HG2 H 1 1.417 0.01 . 2 . . . . . 20 LYS HG2 . 27951 1 166 . 1 . 1 25 25 LYS HG3 H 1 1.417 0.01 . 2 . . . . . 20 LYS HG3 . 27951 1 167 . 1 . 1 25 25 LYS HD2 H 1 1.741 0.01 . 2 . . . . . 20 LYS HD2 . 27951 1 168 . 1 . 1 25 25 LYS HD3 H 1 1.656 0.01 . 2 . . . . . 20 LYS HD3 . 27951 1 169 . 1 . 1 25 25 LYS HE2 H 1 2.954 0.01 . 2 . . . . . 20 LYS HE2 . 27951 1 170 . 1 . 1 25 25 LYS HE3 H 1 2.954 0.01 . 2 . . . . . 20 LYS HE3 . 27951 1 171 . 1 . 1 25 25 LYS C C 13 179.007 0.03 . 1 . . . . . 20 LYS C . 27951 1 172 . 1 . 1 25 25 LYS CA C 13 61.055 0.04 . 1 . . . . . 20 LYS CA . 27951 1 173 . 1 . 1 25 25 LYS CB C 13 32.408 0.03 . 1 . . . . . 20 LYS CB . 27951 1 174 . 1 . 1 25 25 LYS CG C 13 25.026 0.06 . 1 . . . . . 20 LYS CG . 27951 1 175 . 1 . 1 25 25 LYS CD C 13 29.802 0.06 . 1 . . . . . 20 LYS CD . 27951 1 176 . 1 . 1 25 25 LYS CE C 13 42.375 0.06 . 1 . . . . . 20 LYS CE . 27951 1 177 . 1 . 1 25 25 LYS N N 15 124.292 0.08 . 1 . . . . . 20 LYS N . 27951 1 178 . 1 . 1 26 26 GLN H H 1 7.312 0.01 . 1 . . . . . 21 GLN H . 27951 1 179 . 1 . 1 26 26 GLN HA H 1 4.164 0.01 . 1 . . . . . 21 GLN HA . 27951 1 180 . 1 . 1 26 26 GLN HB2 H 1 2.161 0.01 . 2 . . . . . 21 GLN HB2 . 27951 1 181 . 1 . 1 26 26 GLN HB3 H 1 2.161 0.01 . 2 . . . . . 21 GLN HB3 . 27951 1 182 . 1 . 1 26 26 GLN HG2 H 1 2.547 0.01 . 2 . . . . . 21 GLN HG2 . 27951 1 183 . 1 . 1 26 26 GLN HG3 H 1 2.426 0.01 . 2 . . . . . 21 GLN HG3 . 27951 1 184 . 1 . 1 26 26 GLN HE21 H 1 6.770 0.01 . 2 . . . . . 21 GLN HE21 . 27951 1 185 . 1 . 1 26 26 GLN HE22 H 1 7.489 0.01 . 2 . . . . . 21 GLN HE22 . 27951 1 186 . 1 . 1 26 26 GLN C C 13 178.230 0.10 . 1 . . . . . 21 GLN C . 27951 1 187 . 1 . 1 26 26 GLN CA C 13 58.144 0.05 . 1 . . . . . 21 GLN CA . 27951 1 188 . 1 . 1 26 26 GLN CB C 13 28.606 0.01 . 1 . . . . . 21 GLN CB . 27951 1 189 . 1 . 1 26 26 GLN CG C 13 33.892 0.03 . 1 . . . . . 21 GLN CG . 27951 1 190 . 1 . 1 26 26 GLN N N 15 115.504 0.05 . 1 . . . . . 21 GLN N . 27951 1 191 . 1 . 1 26 26 GLN NE2 N 15 111.527 0.02 . 1 . . . . . 21 GLN NE2 . 27951 1 192 . 1 . 1 27 27 GLU H H 1 7.946 0.01 . 1 . . . . . 22 GLU H . 27951 1 193 . 1 . 1 27 27 GLU HA H 1 4.021 0.01 . 1 . . . . . 22 GLU HA . 27951 1 194 . 1 . 1 27 27 GLU HB2 H 1 2.135 0.01 . 2 . . . . . 22 GLU HB2 . 27951 1 195 . 1 . 1 27 27 GLU HB3 H 1 2.011 0.01 . 2 . . . . . 22 GLU HB3 . 27951 1 196 . 1 . 1 27 27 GLU HG2 H 1 2.370 0.01 . 2 . . . . . 22 GLU HG2 . 27951 1 197 . 1 . 1 27 27 GLU HG3 H 1 2.127 0.01 . 2 . . . . . 22 GLU HG3 . 27951 1 198 . 1 . 1 27 27 GLU C C 13 178.348 0.03 . 1 . . . . . 22 GLU C . 27951 1 199 . 1 . 1 27 27 GLU CA C 13 59.358 0.05 . 1 . . . . . 22 GLU CA . 27951 1 200 . 1 . 1 27 27 GLU CB C 13 30.820 0.02 . 1 . . . . . 22 GLU CB . 27951 1 201 . 1 . 1 27 27 GLU CG C 13 36.204 0.03 . 1 . . . . . 22 GLU CG . 27951 1 202 . 1 . 1 27 27 GLU N N 15 119.023 0.04 . 1 . . . . . 22 GLU N . 27951 1 203 . 1 . 1 28 28 LEU H H 1 8.501 0.01 . 1 . . . . . 23 LEU H . 27951 1 204 . 1 . 1 28 28 LEU HA H 1 4.184 0.01 . 1 . . . . . 23 LEU HA . 27951 1 205 . 1 . 1 28 28 LEU HB2 H 1 1.767 0.01 . 2 . . . . . 23 LEU HB2 . 27951 1 206 . 1 . 1 28 28 LEU HB3 H 1 1.419 0.01 . 2 . . . . . 23 LEU HB3 . 27951 1 207 . 1 . 1 28 28 LEU HG H 1 1.862 0.01 . 1 . . . . . 23 LEU HG . 27951 1 208 . 1 . 1 28 28 LEU HD11 H 1 0.648 0.01 . 2 . . . . . 23 LEU HD11 . 27951 1 209 . 1 . 1 28 28 LEU HD12 H 1 0.648 0.01 . 2 . . . . . 23 LEU HD12 . 27951 1 210 . 1 . 1 28 28 LEU HD13 H 1 0.648 0.01 . 2 . . . . . 23 LEU HD13 . 27951 1 211 . 1 . 1 28 28 LEU HD21 H 1 0.770 0.01 . 2 . . . . . 23 LEU HD21 . 27951 1 212 . 1 . 1 28 28 LEU HD22 H 1 0.770 0.01 . 2 . . . . . 23 LEU HD22 . 27951 1 213 . 1 . 1 28 28 LEU HD23 H 1 0.770 0.01 . 2 . . . . . 23 LEU HD23 . 27951 1 214 . 1 . 1 28 28 LEU C C 13 177.210 0.04 . 1 . . . . . 23 LEU C . 27951 1 215 . 1 . 1 28 28 LEU CA C 13 55.382 0.05 . 1 . . . . . 23 LEU CA . 27951 1 216 . 1 . 1 28 28 LEU CB C 13 43.222 0.04 . 1 . . . . . 23 LEU CB . 27951 1 217 . 1 . 1 28 28 LEU CG C 13 27.293 0.07 . 1 . . . . . 23 LEU CG . 27951 1 218 . 1 . 1 28 28 LEU CD1 C 13 25.816 0.01 . 2 . . . . . 23 LEU CD1 . 27951 1 219 . 1 . 1 28 28 LEU CD2 C 13 22.462 0.02 . 2 . . . . . 23 LEU CD2 . 27951 1 220 . 1 . 1 28 28 LEU N N 15 115.473 0.04 . 1 . . . . . 23 LEU N . 27951 1 221 . 1 . 1 29 29 ASN H H 1 7.881 0.01 . 1 . . . . . 24 ASN H . 27951 1 222 . 1 . 1 29 29 ASN HA H 1 4.416 0.01 . 1 . . . . . 24 ASN HA . 27951 1 223 . 1 . 1 29 29 ASN HB2 H 1 3.257 0.01 . 2 . . . . . 24 ASN HB2 . 27951 1 224 . 1 . 1 29 29 ASN HB3 H 1 2.547 0.01 . 2 . . . . . 24 ASN HB3 . 27951 1 225 . 1 . 1 29 29 ASN HD21 H 1 6.680 0.01 . 2 . . . . . 24 ASN HD21 . 27951 1 226 . 1 . 1 29 29 ASN HD22 H 1 7.446 0.01 . 2 . . . . . 24 ASN HD22 . 27951 1 227 . 1 . 1 29 29 ASN C C 13 174.366 0.03 . 1 . . . . . 24 ASN C . 27951 1 228 . 1 . 1 29 29 ASN CA C 13 54.042 0.04 . 1 . . . . . 24 ASN CA . 27951 1 229 . 1 . 1 29 29 ASN CB C 13 37.070 0.04 . 1 . . . . . 24 ASN CB . 27951 1 230 . 1 . 1 29 29 ASN N N 15 117.188 0.05 . 1 . . . . . 24 ASN N . 27951 1 231 . 1 . 1 29 29 ASN ND2 N 15 111.273 0.01 . 1 . . . . . 24 ASN ND2 . 27951 1 232 . 1 . 1 30 30 VAL H H 1 7.049 0.01 . 1 . . . . . 25 VAL H . 27951 1 233 . 1 . 1 30 30 VAL HA H 1 4.831 0.01 . 1 . . . . . 25 VAL HA . 27951 1 234 . 1 . 1 30 30 VAL HB H 1 2.000 0.01 . 1 . . . . . 25 VAL HB . 27951 1 235 . 1 . 1 30 30 VAL HG11 H 1 0.832 0.01 . 2 . . . . . 25 VAL HG11 . 27951 1 236 . 1 . 1 30 30 VAL HG12 H 1 0.832 0.01 . 2 . . . . . 25 VAL HG12 . 27951 1 237 . 1 . 1 30 30 VAL HG13 H 1 0.832 0.01 . 2 . . . . . 25 VAL HG13 . 27951 1 238 . 1 . 1 30 30 VAL HG21 H 1 0.707 0.01 . 2 . . . . . 25 VAL HG21 . 27951 1 239 . 1 . 1 30 30 VAL HG22 H 1 0.707 0.01 . 2 . . . . . 25 VAL HG22 . 27951 1 240 . 1 . 1 30 30 VAL HG23 H 1 0.707 0.01 . 2 . . . . . 25 VAL HG23 . 27951 1 241 . 1 . 1 30 30 VAL C C 13 173.779 0.03 . 1 . . . . . 25 VAL C . 27951 1 242 . 1 . 1 30 30 VAL CA C 13 57.304 0.01 . 1 . . . . . 25 VAL CA . 27951 1 243 . 1 . 1 30 30 VAL CB C 13 32.776 0.01 . 1 . . . . . 25 VAL CB . 27951 1 244 . 1 . 1 30 30 VAL CG1 C 13 21.897 0.01 . 2 . . . . . 25 VAL CG1 . 27951 1 245 . 1 . 1 30 30 VAL CG2 C 13 19.119 0.01 . 2 . . . . . 25 VAL CG2 . 27951 1 246 . 1 . 1 30 30 VAL N N 15 109.350 0.05 . 1 . . . . . 25 VAL N . 27951 1 247 . 1 . 1 31 31 PRO HA H 1 4.640 0.01 . 1 . . . . . 26 PRO HA . 27951 1 248 . 1 . 1 31 31 PRO HB2 H 1 2.448 0.01 . 2 . . . . . 26 PRO HB2 . 27951 1 249 . 1 . 1 31 31 PRO HB3 H 1 2.096 0.01 . 2 . . . . . 26 PRO HB3 . 27951 1 250 . 1 . 1 31 31 PRO HG2 H 1 2.120 0.01 . 2 . . . . . 26 PRO HG2 . 27951 1 251 . 1 . 1 31 31 PRO HG3 H 1 1.949 0.01 . 2 . . . . . 26 PRO HG3 . 27951 1 252 . 1 . 1 31 31 PRO HD2 H 1 3.860 0.01 . 2 . . . . . 26 PRO HD2 . 27951 1 253 . 1 . 1 31 31 PRO HD3 H 1 3.529 0.01 . 2 . . . . . 26 PRO HD3 . 27951 1 254 . 1 . 1 31 31 PRO C C 13 177.480 0.03 . 1 . . . . . 26 PRO C . 27951 1 255 . 1 . 1 31 31 PRO CA C 13 61.866 0.05 . 1 . . . . . 26 PRO CA . 27951 1 256 . 1 . 1 31 31 PRO CB C 13 32.975 0.06 . 1 . . . . . 26 PRO CB . 27951 1 257 . 1 . 1 31 31 PRO CG C 13 27.603 0.04 . 1 . . . . . 26 PRO CG . 27951 1 258 . 1 . 1 31 31 PRO CD C 13 50.622 0.01 . 1 . . . . . 26 PRO CD . 27951 1 259 . 1 . 1 32 32 ASP H H 1 8.737 0.01 . 1 . . . . . 27 ASP H . 27951 1 260 . 1 . 1 32 32 ASP HA H 1 4.208 0.01 . 1 . . . . . 27 ASP HA . 27951 1 261 . 1 . 1 32 32 ASP HB2 H 1 2.644 0.01 . 2 . . . . . 27 ASP HB2 . 27951 1 262 . 1 . 1 32 32 ASP HB3 H 1 2.579 0.01 . 2 . . . . . 27 ASP HB3 . 27951 1 263 . 1 . 1 32 32 ASP C C 13 178.492 0.04 . 1 . . . . . 27 ASP C . 27951 1 264 . 1 . 1 32 32 ASP CA C 13 58.298 0.08 . 1 . . . . . 27 ASP CA . 27951 1 265 . 1 . 1 32 32 ASP CB C 13 40.774 0.03 . 1 . . . . . 27 ASP CB . 27951 1 266 . 1 . 1 32 32 ASP N N 15 121.114 0.06 . 1 . . . . . 27 ASP N . 27951 1 267 . 1 . 1 33 33 ALA H H 1 8.573 0.01 . 1 . . . . . 28 ALA H . 27951 1 268 . 1 . 1 33 33 ALA HA H 1 4.026 0.01 . 1 . . . . . 28 ALA HA . 27951 1 269 . 1 . 1 33 33 ALA HB1 H 1 1.419 0.01 . 2 . . . . . 28 ALA HB1 . 27951 1 270 . 1 . 1 33 33 ALA HB2 H 1 1.419 0.01 . 2 . . . . . 28 ALA HB2 . 27951 1 271 . 1 . 1 33 33 ALA HB3 H 1 1.419 0.01 . 2 . . . . . 28 ALA HB3 . 27951 1 272 . 1 . 1 33 33 ALA C C 13 179.898 0.04 . 1 . . . . . 28 ALA C . 27951 1 273 . 1 . 1 33 33 ALA CA C 13 55.429 0.02 . 1 . . . . . 28 ALA CA . 27951 1 274 . 1 . 1 33 33 ALA CB C 13 18.701 0.03 . 1 . . . . . 28 ALA CB . 27951 1 275 . 1 . 1 33 33 ALA N N 15 118.789 0.07 . 1 . . . . . 28 ALA N . 27951 1 276 . 1 . 1 34 34 VAL H H 1 7.094 0.01 . 1 . . . . . 29 VAL H . 27951 1 277 . 1 . 1 34 34 VAL HA H 1 3.795 0.01 . 1 . . . . . 29 VAL HA . 27951 1 278 . 1 . 1 34 34 VAL HB H 1 1.978 0.01 . 1 . . . . . 29 VAL HB . 27951 1 279 . 1 . 1 34 34 VAL HG11 H 1 1.022 0.01 . 2 . . . . . 29 VAL HG11 . 27951 1 280 . 1 . 1 34 34 VAL HG12 H 1 1.022 0.01 . 2 . . . . . 29 VAL HG12 . 27951 1 281 . 1 . 1 34 34 VAL HG13 H 1 1.022 0.01 . 2 . . . . . 29 VAL HG13 . 27951 1 282 . 1 . 1 34 34 VAL HG21 H 1 0.788 0.01 . 2 . . . . . 29 VAL HG21 . 27951 1 283 . 1 . 1 34 34 VAL HG22 H 1 0.788 0.01 . 2 . . . . . 29 VAL HG22 . 27951 1 284 . 1 . 1 34 34 VAL HG23 H 1 0.788 0.01 . 2 . . . . . 29 VAL HG23 . 27951 1 285 . 1 . 1 34 34 VAL C C 13 178.082 0.04 . 1 . . . . . 29 VAL C . 27951 1 286 . 1 . 1 34 34 VAL CA C 13 65.170 0.04 . 1 . . . . . 29 VAL CA . 27951 1 287 . 1 . 1 34 34 VAL CB C 13 31.919 0.07 . 1 . . . . . 29 VAL CB . 27951 1 288 . 1 . 1 34 34 VAL CG1 C 13 23.123 0.01 . 2 . . . . . 29 VAL CG1 . 27951 1 289 . 1 . 1 34 34 VAL CG2 C 13 21.408 0.06 . 2 . . . . . 29 VAL CG2 . 27951 1 290 . 1 . 1 34 34 VAL N N 15 116.310 0.04 . 1 . . . . . 29 VAL N . 27951 1 291 . 1 . 1 35 35 MET H H 1 7.156 0.01 . 1 . . . . . 30 MET H . 27951 1 292 . 1 . 1 35 35 MET HA H 1 4.279 0.01 . 1 . . . . . 30 MET HA . 27951 1 293 . 1 . 1 35 35 MET HB2 H 1 2.388 0.01 . 2 . . . . . 30 MET HB2 . 27951 1 294 . 1 . 1 35 35 MET HB3 H 1 2.141 0.01 . 2 . . . . . 30 MET HB3 . 27951 1 295 . 1 . 1 35 35 MET HG2 H 1 2.707 0.01 . 2 . . . . . 30 MET HG2 . 27951 1 296 . 1 . 1 35 35 MET HG3 H 1 2.415 0.01 . 2 . . . . . 30 MET HG3 . 27951 1 297 . 1 . 1 35 35 MET C C 13 179.130 0.03 . 1 . . . . . 30 MET C . 27951 1 298 . 1 . 1 35 35 MET CA C 13 56.563 0.06 . 1 . . . . . 30 MET CA . 27951 1 299 . 1 . 1 35 35 MET CB C 13 29.236 0.02 . 1 . . . . . 30 MET CB . 27951 1 300 . 1 . 1 35 35 MET CG C 13 31.594 0.09 . 1 . . . . . 30 MET CG . 27951 1 301 . 1 . 1 35 35 MET N N 15 117.375 0.04 . 1 . . . . . 30 MET N . 27951 1 302 . 1 . 1 36 36 GLN H H 1 8.040 0.01 . 1 . . . . . 31 GLN H . 27951 1 303 . 1 . 1 36 36 GLN HA H 1 4.188 0.01 . 1 . . . . . 31 GLN HA . 27951 1 304 . 1 . 1 36 36 GLN HB2 H 1 2.245 0.01 . 2 . . . . . 31 GLN HB2 . 27951 1 305 . 1 . 1 36 36 GLN HB3 H 1 2.149 0.01 . 2 . . . . . 31 GLN HB3 . 27951 1 306 . 1 . 1 36 36 GLN HG2 H 1 2.536 0.01 . 2 . . . . . 31 GLN HG2 . 27951 1 307 . 1 . 1 36 36 GLN HG3 H 1 2.536 0.01 . 2 . . . . . 31 GLN HG3 . 27951 1 308 . 1 . 1 36 36 GLN HE21 H 1 6.800 0.01 . 2 . . . . . 31 GLN HE21 . 27951 1 309 . 1 . 1 36 36 GLN HE22 H 1 7.531 0.01 . 2 . . . . . 31 GLN HE22 . 27951 1 310 . 1 . 1 36 36 GLN C C 13 178.197 0.03 . 1 . . . . . 31 GLN C . 27951 1 311 . 1 . 1 36 36 GLN CA C 13 57.980 0.04 . 1 . . . . . 31 GLN CA . 27951 1 312 . 1 . 1 36 36 GLN CB C 13 27.907 0.02 . 1 . . . . . 31 GLN CB . 27951 1 313 . 1 . 1 36 36 GLN CG C 13 33.842 0.02 . 1 . . . . . 31 GLN CG . 27951 1 314 . 1 . 1 36 36 GLN N N 15 115.617 0.04 . 1 . . . . . 31 GLN N . 27951 1 315 . 1 . 1 36 36 GLN NE2 N 15 112.224 0.02 . 1 . . . . . 31 GLN NE2 . 27951 1 316 . 1 . 1 37 37 ASP H H 1 7.836 0.01 . 1 . . . . . 32 ASP H . 27951 1 317 . 1 . 1 37 37 ASP HA H 1 4.513 0.01 . 1 . . . . . 32 ASP HA . 27951 1 318 . 1 . 1 37 37 ASP HB2 H 1 3.167 0.01 . 2 . . . . . 32 ASP HB2 . 27951 1 319 . 1 . 1 37 37 ASP HB3 H 1 2.627 0.01 . 2 . . . . . 32 ASP HB3 . 27951 1 320 . 1 . 1 37 37 ASP C C 13 177.781 0.04 . 1 . . . . . 32 ASP C . 27951 1 321 . 1 . 1 37 37 ASP CA C 13 57.188 0.03 . 1 . . . . . 32 ASP CA . 27951 1 322 . 1 . 1 37 37 ASP CB C 13 39.828 0.04 . 1 . . . . . 32 ASP CB . 27951 1 323 . 1 . 1 37 37 ASP N N 15 120.087 0.05 . 1 . . . . . 32 ASP N . 27951 1 324 . 1 . 1 38 38 PHE H H 1 7.773 0.01 . 1 . . . . . 33 PHE H . 27951 1 325 . 1 . 1 38 38 PHE HA H 1 3.952 0.01 . 1 . . . . . 33 PHE HA . 27951 1 326 . 1 . 1 38 38 PHE HB2 H 1 2.907 0.01 . 2 . . . . . 33 PHE HB2 . 27951 1 327 . 1 . 1 38 38 PHE HB3 H 1 2.692 0.01 . 2 . . . . . 33 PHE HB3 . 27951 1 328 . 1 . 1 38 38 PHE HD1 H 1 6.263 0.01 . 3 . . . . . 33 PHE HD1 . 27951 1 329 . 1 . 1 38 38 PHE HD2 H 1 6.263 0.01 . 3 . . . . . 33 PHE HD2 . 27951 1 330 . 1 . 1 38 38 PHE HE1 H 1 6.559 0.01 . 3 . . . . . 33 PHE HE1 . 27951 1 331 . 1 . 1 38 38 PHE HE2 H 1 6.559 0.01 . 3 . . . . . 33 PHE HE2 . 27951 1 332 . 1 . 1 38 38 PHE HZ H 1 6.476 0.01 . 1 . . . . . 33 PHE HZ . 27951 1 333 . 1 . 1 38 38 PHE C C 13 174.930 0.04 . 1 . . . . . 33 PHE C . 27951 1 334 . 1 . 1 38 38 PHE CA C 13 61.631 0.06 . 1 . . . . . 33 PHE CA . 27951 1 335 . 1 . 1 38 38 PHE CB C 13 39.080 0.17 . 1 . . . . . 33 PHE CB . 27951 1 336 . 1 . 1 38 38 PHE CD1 C 13 132.135 0.04 . 3 . . . . . 33 PHE CD1 . 27951 1 337 . 1 . 1 38 38 PHE CD2 C 13 132.135 0.04 . 3 . . . . . 33 PHE CD2 . 27951 1 338 . 1 . 1 38 38 PHE CE1 C 13 129.913 0.04 . 3 . . . . . 33 PHE CE1 . 27951 1 339 . 1 . 1 38 38 PHE CE2 C 13 129.913 0.04 . 3 . . . . . 33 PHE CE2 . 27951 1 340 . 1 . 1 38 38 PHE CZ C 13 128.691 0.04 . 1 . . . . . 33 PHE CZ . 27951 1 341 . 1 . 1 38 38 PHE N N 15 118.629 0.05 . 1 . . . . . 33 PHE N . 27951 1 342 . 1 . 1 39 39 PHE H H 1 7.035 0.01 . 1 . . . . . 34 PHE H . 27951 1 343 . 1 . 1 39 39 PHE HA H 1 4.150 0.01 . 1 . . . . . 34 PHE HA . 27951 1 344 . 1 . 1 39 39 PHE HB2 H 1 3.247 0.01 . 2 . . . . . 34 PHE HB2 . 27951 1 345 . 1 . 1 39 39 PHE HB3 H 1 3.005 0.01 . 2 . . . . . 34 PHE HB3 . 27951 1 346 . 1 . 1 39 39 PHE HD1 H 1 7.356 0.01 . 3 . . . . . 34 PHE HD1 . 27951 1 347 . 1 . 1 39 39 PHE HD2 H 1 7.356 0.01 . 3 . . . . . 34 PHE HD2 . 27951 1 348 . 1 . 1 39 39 PHE HE1 H 1 7.458 0.01 . 3 . . . . . 34 PHE HE1 . 27951 1 349 . 1 . 1 39 39 PHE HE2 H 1 7.458 0.01 . 3 . . . . . 34 PHE HE2 . 27951 1 350 . 1 . 1 39 39 PHE HZ H 1 7.381 0.01 . 1 . . . . . 34 PHE HZ . 27951 1 351 . 1 . 1 39 39 PHE C C 13 179.102 0.04 . 1 . . . . . 34 PHE C . 27951 1 352 . 1 . 1 39 39 PHE CA C 13 60.752 0.03 . 1 . . . . . 34 PHE CA . 27951 1 353 . 1 . 1 39 39 PHE CB C 13 38.873 0.04 . 1 . . . . . 34 PHE CB . 27951 1 354 . 1 . 1 39 39 PHE CD1 C 13 131.068 0.04 . 3 . . . . . 34 PHE CD1 . 27951 1 355 . 1 . 1 39 39 PHE CD2 C 13 131.068 0.04 . 3 . . . . . 34 PHE CD2 . 27951 1 356 . 1 . 1 39 39 PHE CE1 C 13 131.752 0.04 . 3 . . . . . 34 PHE CE1 . 27951 1 357 . 1 . 1 39 39 PHE CE2 C 13 131.752 0.04 . 3 . . . . . 34 PHE CE2 . 27951 1 358 . 1 . 1 39 39 PHE CZ C 13 130.168 0.04 . 1 . . . . . 34 PHE CZ . 27951 1 359 . 1 . 1 39 39 PHE N N 15 113.931 0.05 . 1 . . . . . 34 PHE N . 27951 1 360 . 1 . 1 40 40 ASN H H 1 8.143 0.01 . 1 . . . . . 35 ASN H . 27951 1 361 . 1 . 1 40 40 ASN HA H 1 4.096 0.01 . 1 . . . . . 35 ASN HA . 27951 1 362 . 1 . 1 40 40 ASN HB2 H 1 2.520 0.01 . 2 . . . . . 35 ASN HB2 . 27951 1 363 . 1 . 1 40 40 ASN HB3 H 1 2.045 0.01 . 2 . . . . . 35 ASN HB3 . 27951 1 364 . 1 . 1 40 40 ASN HD21 H 1 6.993 0.01 . 2 . . . . . 35 ASN HD21 . 27951 1 365 . 1 . 1 40 40 ASN HD22 H 1 7.818 0.01 . 2 . . . . . 35 ASN HD22 . 27951 1 366 . 1 . 1 40 40 ASN C C 13 175.844 0.04 . 1 . . . . . 35 ASN C . 27951 1 367 . 1 . 1 40 40 ASN CA C 13 55.208 0.03 . 1 . . . . . 35 ASN CA . 27951 1 368 . 1 . 1 40 40 ASN CB C 13 37.502 0.04 . 1 . . . . . 35 ASN CB . 27951 1 369 . 1 . 1 40 40 ASN N N 15 117.147 0.05 . 1 . . . . . 35 ASN N . 27951 1 370 . 1 . 1 40 40 ASN ND2 N 15 112.483 0.02 . 1 . . . . . 35 ASN ND2 . 27951 1 371 . 1 . 1 41 41 PHE H H 1 7.817 0.01 . 1 . . . . . 36 PHE H . 27951 1 372 . 1 . 1 41 41 PHE HA H 1 3.436 0.01 . 1 . . . . . 36 PHE HA . 27951 1 373 . 1 . 1 41 41 PHE HB2 H 1 2.906 0.01 . 2 . . . . . 36 PHE HB2 . 27951 1 374 . 1 . 1 41 41 PHE HB3 H 1 2.012 0.01 . 2 . . . . . 36 PHE HB3 . 27951 1 375 . 1 . 1 41 41 PHE HD1 H 1 5.653 0.01 . 3 . . . . . 36 PHE HD1 . 27951 1 376 . 1 . 1 41 41 PHE HD2 H 1 5.653 0.01 . 3 . . . . . 36 PHE HD2 . 27951 1 377 . 1 . 1 41 41 PHE HE1 H 1 6.500 0.01 . 3 . . . . . 36 PHE HE1 . 27951 1 378 . 1 . 1 41 41 PHE HE2 H 1 6.500 0.01 . 3 . . . . . 36 PHE HE2 . 27951 1 379 . 1 . 1 41 41 PHE HZ H 1 6.604 0.01 . 1 . . . . . 36 PHE HZ . 27951 1 380 . 1 . 1 41 41 PHE C C 13 174.985 0.04 . 1 . . . . . 36 PHE C . 27951 1 381 . 1 . 1 41 41 PHE CA C 13 61.096 0.06 . 1 . . . . . 36 PHE CA . 27951 1 382 . 1 . 1 41 41 PHE CB C 13 39.232 0.10 . 1 . . . . . 36 PHE CB . 27951 1 383 . 1 . 1 41 41 PHE CD1 C 13 131.223 0.04 . 3 . . . . . 36 PHE CD1 . 27951 1 384 . 1 . 1 41 41 PHE CD2 C 13 131.223 0.04 . 3 . . . . . 36 PHE CD2 . 27951 1 385 . 1 . 1 41 41 PHE CE1 C 13 130.622 0.04 . 3 . . . . . 36 PHE CE1 . 27951 1 386 . 1 . 1 41 41 PHE CE2 C 13 130.622 0.04 . 3 . . . . . 36 PHE CE2 . 27951 1 387 . 1 . 1 41 41 PHE CZ C 13 128.489 0.04 . 1 . . . . . 36 PHE CZ . 27951 1 388 . 1 . 1 41 41 PHE N N 15 118.435 0.04 . 1 . . . . . 36 PHE N . 27951 1 389 . 1 . 1 42 42 TRP H H 1 6.581 0.01 . 1 . . . . . 37 TRP H . 27951 1 390 . 1 . 1 42 42 TRP HA H 1 4.046 0.01 . 1 . . . . . 37 TRP HA . 27951 1 391 . 1 . 1 42 42 TRP HB2 H 1 2.827 0.01 . 2 . . . . . 37 TRP HB2 . 27951 1 392 . 1 . 1 42 42 TRP HB3 H 1 2.827 0.01 . 2 . . . . . 37 TRP HB3 . 27951 1 393 . 1 . 1 42 42 TRP HD1 H 1 7.212 0.01 . 1 . . . . . 37 TRP HD1 . 27951 1 394 . 1 . 1 42 42 TRP HE3 H 1 7.633 0.01 . 1 . . . . . 37 TRP HE3 . 27951 1 395 . 1 . 1 42 42 TRP HZ2 H 1 6.963 0.01 . 1 . . . . . 37 TRP HZ2 . 27951 1 396 . 1 . 1 42 42 TRP HZ3 H 1 7.036 0.01 . 1 . . . . . 37 TRP HZ3 . 27951 1 397 . 1 . 1 42 42 TRP HH2 H 1 7.142 0.01 . 1 . . . . . 37 TRP HH2 . 27951 1 398 . 1 . 1 42 42 TRP C C 13 175.905 0.04 . 1 . . . . . 37 TRP C . 27951 1 399 . 1 . 1 42 42 TRP CA C 13 55.906 0.03 . 1 . . . . . 37 TRP CA . 27951 1 400 . 1 . 1 42 42 TRP CB C 13 30.486 0.03 . 1 . . . . . 37 TRP CB . 27951 1 401 . 1 . 1 42 42 TRP CD1 C 13 129.588 0.04 . 1 . . . . . 37 TRP CD1 . 27951 1 402 . 1 . 1 42 42 TRP CE3 C 13 121.170 0.04 . 1 . . . . . 37 TRP CE3 . 27951 1 403 . 1 . 1 42 42 TRP CZ2 C 13 113.414 0.04 . 1 . . . . . 37 TRP CZ2 . 27951 1 404 . 1 . 1 42 42 TRP CZ3 C 13 120.652 0.04 . 1 . . . . . 37 TRP CZ3 . 27951 1 405 . 1 . 1 42 42 TRP CH2 C 13 123.671 0.04 . 1 . . . . . 37 TRP CH2 . 27951 1 406 . 1 . 1 42 42 TRP N N 15 114.072 0.06 . 1 . . . . . 37 TRP N . 27951 1 407 . 1 . 1 43 43 LYS H H 1 7.536 0.01 . 1 . . . . . 38 LYS H . 27951 1 408 . 1 . 1 43 43 LYS HA H 1 4.271 0.01 . 1 . . . . . 38 LYS HA . 27951 1 409 . 1 . 1 43 43 LYS HB2 H 1 1.878 0.01 . 2 . . . . . 38 LYS HB2 . 27951 1 410 . 1 . 1 43 43 LYS HB3 H 1 1.817 0.01 . 2 . . . . . 38 LYS HB3 . 27951 1 411 . 1 . 1 43 43 LYS HG2 H 1 1.586 0.01 . 2 . . . . . 38 LYS HG3 . 27951 1 412 . 1 . 1 43 43 LYS HG3 H 1 1.439 0.01 . 2 . . . . . 38 LYS HG3 . 27951 1 413 . 1 . 1 43 43 LYS HD2 H 1 1.638 0.01 . 2 . . . . . 38 LYS HD2 . 27951 1 414 . 1 . 1 43 43 LYS HD3 H 1 1.498 0.01 . 2 . . . . . 38 LYS HD3 . 27951 1 415 . 1 . 1 43 43 LYS HE2 H 1 2.941 0.02 . 2 . . . . . 38 LYS HE2 . 27951 1 416 . 1 . 1 43 43 LYS HE3 H 1 2.874 0.01 . 2 . . . . . 38 LYS HE3 . 27951 1 417 . 1 . 1 43 43 LYS C C 13 177.311 0.04 . 1 . . . . . 38 LYS C . 27951 1 418 . 1 . 1 43 43 LYS CA C 13 56.858 0.06 . 1 . . . . . 38 LYS CA . 27951 1 419 . 1 . 1 43 43 LYS CB C 13 33.940 0.03 . 1 . . . . . 38 LYS CB . 27951 1 420 . 1 . 1 43 43 LYS CG C 13 25.812 0.04 . 1 . . . . . 38 LYS CG . 27951 1 421 . 1 . 1 43 43 LYS CD C 13 29.522 0.01 . 1 . . . . . 38 LYS CD . 27951 1 422 . 1 . 1 43 43 LYS N N 15 120.289 0.07 . 1 . . . . . 38 LYS N . 27951 1 423 . 1 . 1 44 44 GLU H H 1 8.774 0.01 . 1 . . . . . 39 GLU H . 27951 1 424 . 1 . 1 44 44 GLU HA H 1 4.083 0.01 . 1 . . . . . 39 GLU HA . 27951 1 425 . 1 . 1 44 44 GLU HB2 H 1 1.968 0.01 . 2 . . . . . 39 GLU HB2 . 27951 1 426 . 1 . 1 44 44 GLU HB3 H 1 1.968 0.01 . 2 . . . . . 39 GLU HB3 . 27951 1 427 . 1 . 1 44 44 GLU HG2 H 1 2.311 0.01 . 2 . . . . . 39 GLU HG2 . 27951 1 428 . 1 . 1 44 44 GLU HG3 H 1 2.311 0.01 . 2 . . . . . 39 GLU HG3 . 27951 1 429 . 1 . 1 44 44 GLU C C 13 177.642 0.03 . 1 . . . . . 39 GLU C . 27951 1 430 . 1 . 1 44 44 GLU CA C 13 57.625 0.06 . 1 . . . . . 39 GLU CA . 27951 1 431 . 1 . 1 44 44 GLU CB C 13 29.359 0.03 . 1 . . . . . 39 GLU CB . 27951 1 432 . 1 . 1 44 44 GLU CG C 13 35.714 0.01 . 1 . . . . . 39 GLU CG . 27951 1 433 . 1 . 1 44 44 GLU N N 15 124.123 0.05 . 1 . . . . . 39 GLU N . 27951 1 434 . 1 . 1 45 45 GLY H H 1 8.706 0.01 . 1 . . . . . 40 GLY H . 27951 1 435 . 1 . 1 45 45 GLY HA2 H 1 4.042 0.01 . 2 . . . . . 40 GLY HA2 . 27951 1 436 . 1 . 1 45 45 GLY HA3 H 1 3.624 0.01 . 2 . . . . . 40 GLY HA3 . 27951 1 437 . 1 . 1 45 45 GLY C C 13 173.680 0.04 . 1 . . . . . 40 GLY C . 27951 1 438 . 1 . 1 45 45 GLY CA C 13 45.386 0.02 . 1 . . . . . 40 GLY CA . 27951 1 439 . 1 . 1 45 45 GLY N N 15 111.342 0.05 . 1 . . . . . 40 GLY N . 27951 1 440 . 1 . 1 46 46 TYR H H 1 7.342 0.01 . 1 . . . . . 41 TYR H . 27951 1 441 . 1 . 1 46 46 TYR HA H 1 4.332 0.01 . 1 . . . . . 41 TYR HA . 27951 1 442 . 1 . 1 46 46 TYR HB2 H 1 2.838 0.01 . 2 . . . . . 41 TYR HB2 . 27951 1 443 . 1 . 1 46 46 TYR HB3 H 1 2.606 0.01 . 2 . . . . . 41 TYR HB3 . 27951 1 444 . 1 . 1 46 46 TYR HD1 H 1 6.907 0.01 . 3 . . . . . 41 TYR HD1 . 27951 1 445 . 1 . 1 46 46 TYR HD2 H 1 6.907 0.01 . 3 . . . . . 41 TYR HD2 . 27951 1 446 . 1 . 1 46 46 TYR HE1 H 1 6.729 0.01 . 3 . . . . . 41 TYR HE1 . 27951 1 447 . 1 . 1 46 46 TYR HE2 H 1 6.729 0.01 . 3 . . . . . 41 TYR HE2 . 27951 1 448 . 1 . 1 46 46 TYR C C 13 175.266 0.03 . 1 . . . . . 41 TYR C . 27951 1 449 . 1 . 1 46 46 TYR CA C 13 58.156 0.04 . 1 . . . . . 41 TYR CA . 27951 1 450 . 1 . 1 46 46 TYR CB C 13 40.191 0.02 . 1 . . . . . 41 TYR CB . 27951 1 451 . 1 . 1 46 46 TYR CD1 C 13 133.288 0.04 . 3 . . . . . 41 TYR CD1 . 27951 1 452 . 1 . 1 46 46 TYR CD2 C 13 133.288 0.04 . 3 . . . . . 41 TYR CD2 . 27951 1 453 . 1 . 1 46 46 TYR CE1 C 13 118.214 0.04 . 3 . . . . . 41 TYR CE1 . 27951 1 454 . 1 . 1 46 46 TYR CE2 C 13 118.214 0.04 . 3 . . . . . 41 TYR CE2 . 27951 1 455 . 1 . 1 46 46 TYR N N 15 120.305 0.05 . 1 . . . . . 41 TYR N . 27951 1 456 . 1 . 1 47 47 GLN H H 1 8.401 0.01 . 1 . . . . . 42 GLN H . 27951 1 457 . 1 . 1 47 47 GLN HA H 1 4.353 0.01 . 1 . . . . . 42 GLN HA . 27951 1 458 . 1 . 1 47 47 GLN HB2 H 1 1.873 0.01 . 2 . . . . . 42 GLN HB2 . 27951 1 459 . 1 . 1 47 47 GLN HB3 H 1 1.759 0.01 . 2 . . . . . 42 GLN HB3 . 27951 1 460 . 1 . 1 47 47 GLN HG2 H 1 2.124 0.01 . 2 . . . . . 42 GLN HG2 . 27951 1 461 . 1 . 1 47 47 GLN HG3 H 1 2.124 0.01 . 2 . . . . . 42 GLN HG3 . 27951 1 462 . 1 . 1 47 47 GLN HE21 H 1 6.604 0.01 . 2 . . . . . 42 GLN HE21 . 27951 1 463 . 1 . 1 47 47 GLN HE22 H 1 7.245 0.01 . 2 . . . . . 42 GLN HE22 . 27951 1 464 . 1 . 1 47 47 GLN C C 13 174.187 0.04 . 1 . . . . . 42 GLN C . 27951 1 465 . 1 . 1 47 47 GLN CA C 13 54.585 0.04 . 1 . . . . . 42 GLN CA . 27951 1 466 . 1 . 1 47 47 GLN CB C 13 29.577 0.02 . 1 . . . . . 42 GLN CB . 27951 1 467 . 1 . 1 47 47 GLN CG C 13 33.454 0.01 . 1 . . . . . 42 GLN CG . 27951 1 468 . 1 . 1 47 47 GLN N N 15 124.596 0.04 . 1 . . . . . 42 GLN N . 27951 1 469 . 1 . 1 47 47 GLN NE2 N 15 111.356 0.03 . 1 . . . . . 42 GLN NE2 . 27951 1 470 . 1 . 1 48 48 ILE H H 1 7.971 0.01 . 1 . . . . . 43 ILE H . 27951 1 471 . 1 . 1 48 48 ILE HA H 1 4.271 0.01 . 1 . . . . . 43 ILE HA . 27951 1 472 . 1 . 1 48 48 ILE HB H 1 1.919 0.01 . 1 . . . . . 43 ILE HB . 27951 1 473 . 1 . 1 48 48 ILE HG12 H 1 1.417 0.01 . 2 . . . . . 43 ILE HG12 . 27951 1 474 . 1 . 1 48 48 ILE HG13 H 1 1.314 0.01 . 2 . . . . . 43 ILE HG13 . 27951 1 475 . 1 . 1 48 48 ILE HG21 H 1 0.965 0.01 . 2 . . . . . 43 ILE HG21 . 27951 1 476 . 1 . 1 48 48 ILE HG22 H 1 0.965 0.01 . 2 . . . . . 43 ILE HG22 . 27951 1 477 . 1 . 1 48 48 ILE HG23 H 1 0.965 0.01 . 2 . . . . . 43 ILE HG23 . 27951 1 478 . 1 . 1 48 48 ILE HD11 H 1 0.839 0.01 . 2 . . . . . 43 ILE HD11 . 27951 1 479 . 1 . 1 48 48 ILE HD12 H 1 0.839 0.01 . 2 . . . . . 43 ILE HD12 . 27951 1 480 . 1 . 1 48 48 ILE HD13 H 1 0.839 0.01 . 2 . . . . . 43 ILE HD13 . 27951 1 481 . 1 . 1 48 48 ILE C C 13 175.741 0.03 . 1 . . . . . 43 ILE C . 27951 1 482 . 1 . 1 48 48 ILE CA C 13 60.007 0.09 . 1 . . . . . 43 ILE CA . 27951 1 483 . 1 . 1 48 48 ILE CB C 13 37.994 0.03 . 1 . . . . . 43 ILE CB . 27951 1 484 . 1 . 1 48 48 ILE CG1 C 13 27.167 0.04 . 2 . . . . . 43 ILE CG1 . 27951 1 485 . 1 . 1 48 48 ILE CG2 C 13 17.650 0.04 . 2 . . . . . 43 ILE CG2 . 27951 1 486 . 1 . 1 48 48 ILE CD1 C 13 12.068 0.04 . 1 . . . . . 43 ILE CD1 . 27951 1 487 . 1 . 1 48 48 ILE N N 15 125.090 0.03 . 1 . . . . . 43 ILE N . 27951 1 488 . 1 . 1 49 49 THR H H 1 8.378 0.01 . 1 . . . . . 44 THR H . 27951 1 489 . 1 . 1 49 49 THR HA H 1 4.489 0.01 . 1 . . . . . 44 THR HA . 27951 1 490 . 1 . 1 49 49 THR HB H 1 4.419 0.01 . 1 . . . . . 44 THR HB . 27951 1 491 . 1 . 1 49 49 THR HG21 H 1 1.057 0.01 . 2 . . . . . 44 THR HG21 . 27951 1 492 . 1 . 1 49 49 THR HG22 H 1 1.057 0.01 . 2 . . . . . 44 THR HG22 . 27951 1 493 . 1 . 1 49 49 THR HG23 H 1 1.057 0.01 . 2 . . . . . 44 THR HG23 . 27951 1 494 . 1 . 1 49 49 THR C C 13 174.004 0.03 . 1 . . . . . 44 THR C . 27951 1 495 . 1 . 1 49 49 THR CA C 13 60.688 0.04 . 1 . . . . . 44 THR CA . 27951 1 496 . 1 . 1 49 49 THR CB C 13 69.831 0.07 . 1 . . . . . 44 THR CB . 27951 1 497 . 1 . 1 49 49 THR CG2 C 13 21.297 0.04 . 1 . . . . . 44 THR CG2 . 27951 1 498 . 1 . 1 49 49 THR N N 15 115.349 0.05 . 1 . . . . . 44 THR N . 27951 1 499 . 1 . 1 50 50 ASN H H 1 7.507 0.01 . 1 . . . . . 45 ASN H . 27951 1 500 . 1 . 1 50 50 ASN HA H 1 4.672 0.01 . 1 . . . . . 45 ASN HA . 27951 1 501 . 1 . 1 50 50 ASN HB2 H 1 2.906 0.01 . 2 . . . . . 45 ASN HB2 . 27951 1 502 . 1 . 1 50 50 ASN HB3 H 1 2.883 0.01 . 2 . . . . . 45 ASN HB3 . 27951 1 503 . 1 . 1 50 50 ASN HD21 H 1 7.028 0.01 . 2 . . . . . 45 ASN HD21 . 27951 1 504 . 1 . 1 50 50 ASN HD22 H 1 7.981 0.01 . 2 . . . . . 45 ASN HD22 . 27951 1 505 . 1 . 1 50 50 ASN C C 13 175.960 0.04 . 1 . . . . . 45 ASN C . 27951 1 506 . 1 . 1 50 50 ASN CA C 13 53.244 0.09 . 1 . . . . . 45 ASN CA . 27951 1 507 . 1 . 1 50 50 ASN CB C 13 39.455 0.02 . 1 . . . . . 45 ASN CB . 27951 1 508 . 1 . 1 50 50 ASN N N 15 120.964 0.04 . 1 . . . . . 45 ASN N . 27951 1 509 . 1 . 1 50 50 ASN ND2 N 15 113.427 0.03 . 1 . . . . . 45 ASN ND2 . 27951 1 510 . 1 . 1 51 51 ARG H H 1 8.891 0.01 . 1 . . . . . 46 ARG H . 27951 1 511 . 1 . 1 51 51 ARG HA H 1 3.872 0.01 . 1 . . . . . 46 ARG HA . 27951 1 512 . 1 . 1 51 51 ARG HB2 H 1 1.977 0.01 . 2 . . . . . 46 ARG HB2 . 27951 1 513 . 1 . 1 51 51 ARG HB3 H 1 1.755 0.01 . 2 . . . . . 46 ARG HB3 . 27951 1 514 . 1 . 1 51 51 ARG HG2 H 1 1.746 0.01 . 2 . . . . . 46 ARG HG2 . 27951 1 515 . 1 . 1 51 51 ARG HG3 H 1 1.504 0.01 . 2 . . . . . 46 ARG HG3 . 27951 1 516 . 1 . 1 51 51 ARG HD2 H 1 3.418 0.01 . 2 . . . . . 46 ARG HD2 . 27951 1 517 . 1 . 1 51 51 ARG HD3 H 1 3.140 0.01 . 2 . . . . . 46 ARG HD3 . 27951 1 518 . 1 . 1 51 51 ARG C C 13 177.731 0.03 . 1 . . . . . 46 ARG C . 27951 1 519 . 1 . 1 51 51 ARG CA C 13 59.487 0.03 . 1 . . . . . 46 ARG CA . 27951 1 520 . 1 . 1 51 51 ARG CB C 13 29.048 0.02 . 1 . . . . . 46 ARG CB . 27951 1 521 . 1 . 1 51 51 ARG CG C 13 25.556 0.03 . 1 . . . . . 46 ARG CG . 27951 1 522 . 1 . 1 51 51 ARG CD C 13 42.482 0.04 . 1 . . . . . 46 ARG CD . 27951 1 523 . 1 . 1 51 51 ARG N N 15 124.942 0.04 . 1 . . . . . 46 ARG N . 27951 1 524 . 1 . 1 52 52 GLU H H 1 8.705 0.01 . 1 . . . . . 47 GLU H . 27951 1 525 . 1 . 1 52 52 GLU HA H 1 4.106 0.01 . 1 . . . . . 47 GLU HA . 27951 1 526 . 1 . 1 52 52 GLU HB2 H 1 2.015 0.01 . 2 . . . . . 47 GLU HB2 . 27951 1 527 . 1 . 1 52 52 GLU HB3 H 1 1.912 0.01 . 2 . . . . . 47 GLU HB3 . 27951 1 528 . 1 . 1 52 52 GLU HG2 H 1 2.444 0.01 . 2 . . . . . 47 GLU HG2 . 27951 1 529 . 1 . 1 52 52 GLU HG3 H 1 2.444 0.01 . 2 . . . . . 47 GLU HG3 . 27951 1 530 . 1 . 1 52 52 GLU C C 13 178.820 0.03 . 1 . . . . . 47 GLU C . 27951 1 531 . 1 . 1 52 52 GLU CA C 13 59.047 0.04 . 1 . . . . . 47 GLU CA . 27951 1 532 . 1 . 1 52 52 GLU CB C 13 28.306 0.02 . 1 . . . . . 47 GLU CB . 27951 1 533 . 1 . 1 52 52 GLU CG C 13 33.904 0.01 . 1 . . . . . 47 GLU CG . 27951 1 534 . 1 . 1 52 52 GLU N N 15 120.323 0.06 . 1 . . . . . 47 GLU N . 27951 1 535 . 1 . 1 53 53 ALA H H 1 8.098 0.01 . 1 . . . . . 48 ALA H . 27951 1 536 . 1 . 1 53 53 ALA HA H 1 3.977 0.01 . 1 . . . . . 48 ALA HA . 27951 1 537 . 1 . 1 53 53 ALA HB1 H 1 1.329 0.01 . 2 . . . . . 48 ALA HB1 . 27951 1 538 . 1 . 1 53 53 ALA HB2 H 1 1.329 0.01 . 2 . . . . . 48 ALA HB2 . 27951 1 539 . 1 . 1 53 53 ALA HB3 H 1 1.329 0.01 . 2 . . . . . 48 ALA HB3 . 27951 1 540 . 1 . 1 53 53 ALA C C 13 180.658 0.03 . 1 . . . . . 48 ALA C . 27951 1 541 . 1 . 1 53 53 ALA CA C 13 55.658 0.03 . 1 . . . . . 48 ALA CA . 27951 1 542 . 1 . 1 53 53 ALA CB C 13 17.568 0.02 . 1 . . . . . 48 ALA CB . 27951 1 543 . 1 . 1 53 53 ALA N N 15 120.620 0.04 . 1 . . . . . 48 ALA N . 27951 1 544 . 1 . 1 54 54 GLY H H 1 7.616 0.01 . 1 . . . . . 49 GLY H . 27951 1 545 . 1 . 1 54 54 GLY HA2 H 1 4.403 0.01 . 2 . . . . . 49 GLY HA2 . 27951 1 546 . 1 . 1 54 54 GLY HA3 H 1 3.439 0.01 . 2 . . . . . 49 GLY HA3 . 27951 1 547 . 1 . 1 54 54 GLY C C 13 175.560 0.04 . 1 . . . . . 49 GLY C . 27951 1 548 . 1 . 1 54 54 GLY CA C 13 46.897 0.03 . 1 . . . . . 49 GLY CA . 27951 1 549 . 1 . 1 54 54 GLY N N 15 103.488 0.04 . 1 . . . . . 49 GLY N . 27951 1 550 . 1 . 1 55 55 CYS H H 1 7.484 0.01 . 1 . . . . . 50 CYS H . 27951 1 551 . 1 . 1 55 55 CYS HA H 1 4.566 0.01 . 1 . . . . . 50 CYS HA . 27951 1 552 . 1 . 1 55 55 CYS HB2 H 1 3.217 0.01 . 2 . . . . . 50 CYS HB2 . 27951 1 553 . 1 . 1 55 55 CYS HB3 H 1 3.153 0.01 . 2 . . . . . 50 CYS HB3 . 27951 1 554 . 1 . 1 55 55 CYS C C 13 178.268 0.05 . 1 . . . . . 50 CYS C . 27951 1 555 . 1 . 1 55 55 CYS CA C 13 55.489 0.09 . 1 . . . . . 50 CYS CA . 27951 1 556 . 1 . 1 55 55 CYS CB C 13 34.790 0.03 . 1 . . . . . 50 CYS CB . 27951 1 557 . 1 . 1 55 55 CYS N N 15 118.594 0.05 . 1 . . . . . 50 CYS N . 27951 1 558 . 1 . 1 56 56 VAL H H 1 8.092 0.01 . 1 . . . . . 51 VAL H . 27951 1 559 . 1 . 1 56 56 VAL HA H 1 3.234 0.01 . 1 . . . . . 51 VAL HA . 27951 1 560 . 1 . 1 56 56 VAL HB H 1 2.216 0.01 . 1 . . . . . 51 VAL HB . 27951 1 561 . 1 . 1 56 56 VAL HG11 H 1 0.928 0.01 . 2 . . . . . 51 VAL HG11 . 27951 1 562 . 1 . 1 56 56 VAL HG12 H 1 0.928 0.01 . 2 . . . . . 51 VAL HG12 . 27951 1 563 . 1 . 1 56 56 VAL HG13 H 1 0.928 0.01 . 2 . . . . . 51 VAL HG13 . 27951 1 564 . 1 . 1 56 56 VAL HG21 H 1 0.621 0.01 . 2 . . . . . 51 VAL HG21 . 27951 1 565 . 1 . 1 56 56 VAL HG22 H 1 0.621 0.01 . 2 . . . . . 51 VAL HG22 . 27951 1 566 . 1 . 1 56 56 VAL HG23 H 1 0.621 0.01 . 2 . . . . . 51 VAL HG23 . 27951 1 567 . 1 . 1 56 56 VAL C C 13 176.644 0.04 . 1 . . . . . 51 VAL C . 27951 1 568 . 1 . 1 56 56 VAL CA C 13 67.786 0.01 . 1 . . . . . 51 VAL CA . 27951 1 569 . 1 . 1 56 56 VAL CB C 13 31.285 0.04 . 1 . . . . . 51 VAL CB . 27951 1 570 . 1 . 1 56 56 VAL CG1 C 13 23.436 0.02 . 2 . . . . . 51 VAL CG1 . 27951 1 571 . 1 . 1 56 56 VAL CG2 C 13 21.934 0.03 . 2 . . . . . 51 VAL CG2 . 27951 1 572 . 1 . 1 56 56 VAL N N 15 122.186 0.09 . 1 . . . . . 51 VAL N . 27951 1 573 . 1 . 1 57 57 ILE H H 1 7.481 0.01 . 1 . . . . . 52 ILE H . 27951 1 574 . 1 . 1 57 57 ILE HA H 1 3.218 0.01 . 1 . . . . . 52 ILE HA . 27951 1 575 . 1 . 1 57 57 ILE HB H 1 1.770 0.01 . 1 . . . . . 52 ILE HB . 27951 1 576 . 1 . 1 57 57 ILE HG12 H 1 2.088 0.01 . 2 . . . . . 52 ILE HG12 . 27951 1 577 . 1 . 1 57 57 ILE HG13 H 1 0.875 0.01 . 2 . . . . . 52 ILE HG13 . 27951 1 578 . 1 . 1 57 57 ILE HG21 H 1 0.901 0.01 . 2 . . . . . 52 ILE HG21 . 27951 1 579 . 1 . 1 57 57 ILE HG22 H 1 0.901 0.01 . 2 . . . . . 52 ILE HG22 . 27951 1 580 . 1 . 1 57 57 ILE HG23 H 1 0.901 0.01 . 2 . . . . . 52 ILE HG23 . 27951 1 581 . 1 . 1 57 57 ILE HD11 H 1 0.413 0.01 . 2 . . . . . 52 ILE HD11 . 27951 1 582 . 1 . 1 57 57 ILE HD12 H 1 0.413 0.01 . 2 . . . . . 52 ILE HD12 . 27951 1 583 . 1 . 1 57 57 ILE HD13 H 1 0.413 0.01 . 2 . . . . . 52 ILE HD13 . 27951 1 584 . 1 . 1 57 57 ILE C C 13 176.256 0.04 . 1 . . . . . 52 ILE C . 27951 1 585 . 1 . 1 57 57 ILE CA C 13 66.983 0.03 . 1 . . . . . 52 ILE CA . 27951 1 586 . 1 . 1 57 57 ILE CB C 13 38.235 0.06 . 1 . . . . . 52 ILE CB . 27951 1 587 . 1 . 1 57 57 ILE CG1 C 13 30.138 0.05 . 2 . . . . . 52 ILE CG1 . 27951 1 588 . 1 . 1 57 57 ILE CG2 C 13 17.584 0.04 . 2 . . . . . 52 ILE CG2 . 27951 1 589 . 1 . 1 57 57 ILE CD1 C 13 12.715 0.04 . 1 . . . . . 52 ILE CD1 . 27951 1 590 . 1 . 1 57 57 ILE N N 15 118.452 0.03 . 1 . . . . . 52 ILE N . 27951 1 591 . 1 . 1 58 58 LEU H H 1 7.473 0.01 . 1 . . . . . 53 LEU H . 27951 1 592 . 1 . 1 58 58 LEU HA H 1 3.869 0.01 . 1 . . . . . 53 LEU HA . 27951 1 593 . 1 . 1 58 58 LEU HB2 H 1 1.727 0.01 . 2 . . . . . 53 LEU HB2 . 27951 1 594 . 1 . 1 58 58 LEU HB3 H 1 1.477 0.01 . 2 . . . . . 53 LEU HB3 . 27951 1 595 . 1 . 1 58 58 LEU HG H 1 1.624 0.01 . 1 . . . . . 53 LEU HG . 27951 1 596 . 1 . 1 58 58 LEU HD11 H 1 0.827 0.01 . 2 . . . . . 53 LEU HD11 . 27951 1 597 . 1 . 1 58 58 LEU HD12 H 1 0.827 0.01 . 2 . . . . . 53 LEU HD12 . 27951 1 598 . 1 . 1 58 58 LEU HD13 H 1 0.827 0.01 . 2 . . . . . 53 LEU HD13 . 27951 1 599 . 1 . 1 58 58 LEU HD21 H 1 0.825 0.01 . 2 . . . . . 53 LEU HD21 . 27951 1 600 . 1 . 1 58 58 LEU HD22 H 1 0.825 0.01 . 2 . . . . . 53 LEU HD22 . 27951 1 601 . 1 . 1 58 58 LEU HD23 H 1 0.825 0.01 . 2 . . . . . 53 LEU HD23 . 27951 1 602 . 1 . 1 58 58 LEU C C 13 178.320 0.03 . 1 . . . . . 53 LEU C . 27951 1 603 . 1 . 1 58 58 LEU CA C 13 57.945 0.06 . 1 . . . . . 53 LEU CA . 27951 1 604 . 1 . 1 58 58 LEU CB C 13 42.738 0.02 . 1 . . . . . 53 LEU CB . 27951 1 605 . 1 . 1 58 58 LEU CG C 13 26.723 0.03 . 1 . . . . . 53 LEU CG . 27951 1 606 . 1 . 1 58 58 LEU CD1 C 13 25.466 0.03 . 2 . . . . . 53 LEU CD1 . 27951 1 607 . 1 . 1 58 58 LEU CD2 C 13 23.785 0.03 . 2 . . . . . 53 LEU CD2 . 27951 1 608 . 1 . 1 58 58 LEU N N 15 115.771 0.07 . 1 . . . . . 53 LEU N . 27951 1 609 . 1 . 1 59 59 CYS H H 1 7.783 0.01 . 1 . . . . . 54 CYS H . 27951 1 610 . 1 . 1 59 59 CYS HA H 1 4.119 0.01 . 1 . . . . . 54 CYS HA . 27951 1 611 . 1 . 1 59 59 CYS HB2 H 1 3.281 0.01 . 2 . . . . . 54 CYS HB2 . 27951 1 612 . 1 . 1 59 59 CYS HB3 H 1 3.002 0.01 . 2 . . . . . 54 CYS HB3 . 27951 1 613 . 1 . 1 59 59 CYS C C 13 176.581 0.03 . 1 . . . . . 54 CYS C . 27951 1 614 . 1 . 1 59 59 CYS CA C 13 60.681 0.05 . 1 . . . . . 54 CYS CA . 27951 1 615 . 1 . 1 59 59 CYS CB C 13 43.218 0.03 . 1 . . . . . 54 CYS CB . 27951 1 616 . 1 . 1 59 59 CYS N N 15 117.214 0.06 . 1 . . . . . 54 CYS N . 27951 1 617 . 1 . 1 60 60 LEU H H 1 8.515 0.01 . 1 . . . . . 55 LEU H . 27951 1 618 . 1 . 1 60 60 LEU HA H 1 3.602 0.01 . 1 . . . . . 55 LEU HA . 27951 1 619 . 1 . 1 60 60 LEU HB2 H 1 1.606 0.01 . 2 . . . . . 55 LEU HB2 . 27951 1 620 . 1 . 1 60 60 LEU HB3 H 1 0.850 0.01 . 2 . . . . . 55 LEU HB3 . 27951 1 621 . 1 . 1 60 60 LEU HG H 1 1.462 0.01 . 1 . . . . . 55 LEU HG . 27951 1 622 . 1 . 1 60 60 LEU HD11 H 1 0.353 0.01 . 2 . . . . . 55 LEU HD11 . 27951 1 623 . 1 . 1 60 60 LEU HD12 H 1 0.353 0.01 . 2 . . . . . 55 LEU HD12 . 27951 1 624 . 1 . 1 60 60 LEU HD13 H 1 0.353 0.01 . 2 . . . . . 55 LEU HD13 . 27951 1 625 . 1 . 1 60 60 LEU HD21 H 1 -0.326 0.01 . 2 . . . . . 55 LEU HD21 . 27951 1 626 . 1 . 1 60 60 LEU HD22 H 1 -0.326 0.01 . 2 . . . . . 55 LEU HD22 . 27951 1 627 . 1 . 1 60 60 LEU HD23 H 1 -0.326 0.01 . 2 . . . . . 55 LEU HD23 . 27951 1 628 . 1 . 1 60 60 LEU C C 13 179.232 0.03 . 1 . . . . . 55 LEU C . 27951 1 629 . 1 . 1 60 60 LEU CA C 13 58.336 0.07 . 1 . . . . . 55 LEU CA . 27951 1 630 . 1 . 1 60 60 LEU CB C 13 41.984 0.02 . 1 . . . . . 55 LEU CB . 27951 1 631 . 1 . 1 60 60 LEU CG C 13 26.342 0.03 . 1 . . . . . 55 LEU CG . 27951 1 632 . 1 . 1 60 60 LEU CD1 C 13 23.160 0.01 . 2 . . . . . 55 LEU CD1 . 27951 1 633 . 1 . 1 60 60 LEU CD2 C 13 25.102 0.01 . 2 . . . . . 55 LEU CD2 . 27951 1 634 . 1 . 1 60 60 LEU N N 15 121.514 0.05 . 1 . . . . . 55 LEU N . 27951 1 635 . 1 . 1 61 61 ALA H H 1 7.754 0.01 . 1 . . . . . 56 ALA H . 27951 1 636 . 1 . 1 61 61 ALA HA H 1 3.815 0.01 . 1 . . . . . 56 ALA HA . 27951 1 637 . 1 . 1 61 61 ALA HB1 H 1 1.628 0.01 . 2 . . . . . 56 ALA HB1 . 27951 1 638 . 1 . 1 61 61 ALA HB2 H 1 1.628 0.01 . 2 . . . . . 56 ALA HB2 . 27951 1 639 . 1 . 1 61 61 ALA HB3 H 1 1.628 0.01 . 2 . . . . . 56 ALA HB3 . 27951 1 640 . 1 . 1 61 61 ALA C C 13 179.488 0.03 . 1 . . . . . 56 ALA C . 27951 1 641 . 1 . 1 61 61 ALA CA C 13 55.110 0.03 . 1 . . . . . 56 ALA CA . 27951 1 642 . 1 . 1 61 61 ALA CB C 13 18.692 0.02 . 1 . . . . . 56 ALA CB . 27951 1 643 . 1 . 1 61 61 ALA N N 15 117.094 0.06 . 1 . . . . . 56 ALA N . 27951 1 644 . 1 . 1 62 62 LYS H H 1 7.518 0.01 . 1 . . . . . 57 LYS H . 27951 1 645 . 1 . 1 62 62 LYS HA H 1 4.368 0.01 . 1 . . . . . 57 LYS HA . 27951 1 646 . 1 . 1 62 62 LYS HB2 H 1 2.016 0.01 . 2 . . . . . 57 LYS HB2 . 27951 1 647 . 1 . 1 62 62 LYS HB3 H 1 2.016 0.01 . 2 . . . . . 57 LYS HB3 . 27951 1 648 . 1 . 1 62 62 LYS HG2 H 1 1.579 0.01 . 2 . . . . . 57 LYS HG2 . 27951 1 649 . 1 . 1 62 62 LYS HG3 H 1 1.520 0.01 . 2 . . . . . 57 LYS HG3 . 27951 1 650 . 1 . 1 62 62 LYS HD2 H 1 1.632 0.01 . 2 . . . . . 57 LYS HD2 . 27951 1 651 . 1 . 1 62 62 LYS HD3 H 1 1.632 0.01 . 2 . . . . . 57 LYS HD3 . 27951 1 652 . 1 . 1 62 62 LYS HE2 H 1 3.025 0.01 . 2 . . . . . 57 LYS HE2 . 27951 1 653 . 1 . 1 62 62 LYS HE3 H 1 2.910 0.01 . 2 . . . . . 57 LYS HE3 . 27951 1 654 . 1 . 1 62 62 LYS C C 13 177.968 0.03 . 1 . . . . . 57 LYS C . 27951 1 655 . 1 . 1 62 62 LYS CA C 13 57.005 0.03 . 1 . . . . . 57 LYS CA . 27951 1 656 . 1 . 1 62 62 LYS CB C 13 33.093 0.07 . 1 . . . . . 57 LYS CB . 27951 1 657 . 1 . 1 62 62 LYS CG C 13 24.975 0.03 . 1 . . . . . 57 LYS CG . 27951 1 658 . 1 . 1 62 62 LYS CD C 13 29.154 0.03 . 1 . . . . . 57 LYS CD . 27951 1 659 . 1 . 1 62 62 LYS CE C 13 42.598 0.03 . 1 . . . . . 57 LYS CE . 27951 1 660 . 1 . 1 62 62 LYS N N 15 116.518 0.06 . 1 . . . . . 57 LYS N . 27951 1 661 . 1 . 1 63 63 LYS H H 1 7.733 0.01 . 1 . . . . . 58 LYS H . 27951 1 662 . 1 . 1 63 63 LYS HA H 1 4.752 0.01 . 1 . . . . . 58 LYS HA . 27951 1 663 . 1 . 1 63 63 LYS HB2 H 1 2.233 0.01 . 2 . . . . . 58 LYS HB2 . 27951 1 664 . 1 . 1 63 63 LYS HB3 H 1 1.643 0.01 . 2 . . . . . 58 LYS HB3 . 27951 1 665 . 1 . 1 63 63 LYS HG2 H 1 1.541 0.01 . 2 . . . . . 58 LYS HG2 . 27951 1 666 . 1 . 1 63 63 LYS HG3 H 1 1.541 0.01 . 2 . . . . . 58 LYS HG3 . 27951 1 667 . 1 . 1 63 63 LYS HD2 H 1 1.636 0.01 . 2 . . . . . 58 LYS HD2 . 27951 1 668 . 1 . 1 63 63 LYS HD3 H 1 1.636 0.01 . 2 . . . . . 58 LYS HD3 . 27951 1 669 . 1 . 1 63 63 LYS HE2 H 1 2.734 0.01 . 2 . . . . . 58 LYS HE2 . 27951 1 670 . 1 . 1 63 63 LYS HE3 H 1 2.669 0.01 . 2 . . . . . 58 LYS HE3 . 27951 1 671 . 1 . 1 63 63 LYS C C 13 176.932 0.03 . 1 . . . . . 58 LYS C . 27951 1 672 . 1 . 1 63 63 LYS CA C 13 55.116 0.03 . 1 . . . . . 58 LYS CA . 27951 1 673 . 1 . 1 63 63 LYS CB C 13 32.821 0.02 . 1 . . . . . 58 LYS CB . 27951 1 674 . 1 . 1 63 63 LYS CG C 13 25.126 0.04 . 1 . . . . . 58 LYS CG . 27951 1 675 . 1 . 1 63 63 LYS CD C 13 28.964 0.02 . 1 . . . . . 58 LYS CD . 27951 1 676 . 1 . 1 63 63 LYS CE C 13 42.885 0.03 . 1 . . . . . 58 LYS CE . 27951 1 677 . 1 . 1 63 63 LYS N N 15 119.966 0.05 . 1 . . . . . 58 LYS N . 27951 1 678 . 1 . 1 64 64 LEU H H 1 7.573 0.01 . 1 . . . . . 59 LEU H . 27951 1 679 . 1 . 1 64 64 LEU HA H 1 3.848 0.01 . 1 . . . . . 59 LEU HA . 27951 1 680 . 1 . 1 64 64 LEU HB2 H 1 1.904 0.01 . 2 . . . . . 59 LEU HB2 . 27951 1 681 . 1 . 1 64 64 LEU HB3 H 1 1.549 0.01 . 2 . . . . . 59 LEU HB3 . 27951 1 682 . 1 . 1 64 64 LEU HG H 1 2.034 0.01 . 1 . . . . . 59 LEU HG . 27951 1 683 . 1 . 1 64 64 LEU HD11 H 1 0.666 0.01 . 2 . . . . . 59 LEU HD11 . 27951 1 684 . 1 . 1 64 64 LEU HD12 H 1 0.666 0.01 . 2 . . . . . 59 LEU HD12 . 27951 1 685 . 1 . 1 64 64 LEU HD13 H 1 0.666 0.01 . 2 . . . . . 59 LEU HD13 . 27951 1 686 . 1 . 1 64 64 LEU HD21 H 1 0.658 0.01 . 2 . . . . . 59 LEU HD21 . 27951 1 687 . 1 . 1 64 64 LEU HD22 H 1 0.658 0.01 . 2 . . . . . 59 LEU HD22 . 27951 1 688 . 1 . 1 64 64 LEU HD23 H 1 0.658 0.01 . 2 . . . . . 59 LEU HD23 . 27951 1 689 . 1 . 1 64 64 LEU C C 13 179.689 0.04 . 1 . . . . . 59 LEU C . 27951 1 690 . 1 . 1 64 64 LEU CA C 13 57.693 0.08 . 1 . . . . . 59 LEU CA . 27951 1 691 . 1 . 1 64 64 LEU CB C 13 40.419 0.02 . 1 . . . . . 59 LEU CB . 27951 1 692 . 1 . 1 64 64 LEU CG C 13 25.826 0.05 . 1 . . . . . 59 LEU CG . 27951 1 693 . 1 . 1 64 64 LEU CD1 C 13 25.578 0.02 . 2 . . . . . 59 LEU CD1 . 27951 1 694 . 1 . 1 64 64 LEU CD2 C 13 22.473 0.03 . 2 . . . . . 59 LEU CD2 . 27951 1 695 . 1 . 1 64 64 LEU N N 15 118.300 0.06 . 1 . . . . . 59 LEU N . 27951 1 696 . 1 . 1 65 65 GLU H H 1 8.583 0.01 . 1 . . . . . 60 GLU H . 27951 1 697 . 1 . 1 65 65 GLU HA H 1 4.299 0.01 . 1 . . . . . 60 GLU HA . 27951 1 698 . 1 . 1 65 65 GLU HB2 H 1 2.364 0.01 . 2 . . . . . 60 GLU HB2 . 27951 1 699 . 1 . 1 65 65 GLU HB3 H 1 1.911 0.01 . 2 . . . . . 60 GLU HB3 . 27951 1 700 . 1 . 1 65 65 GLU HG2 H 1 2.504 0.01 . 2 . . . . . 60 GLU HG2 . 27951 1 701 . 1 . 1 65 65 GLU HG3 H 1 2.392 0.01 . 2 . . . . . 60 GLU HG3 . 27951 1 702 . 1 . 1 65 65 GLU C C 13 176.507 0.04 . 1 . . . . . 60 GLU C . 27951 1 703 . 1 . 1 65 65 GLU CA C 13 57.459 0.06 . 1 . . . . . 60 GLU CA . 27951 1 704 . 1 . 1 65 65 GLU CB C 13 28.114 0.03 . 1 . . . . . 60 GLU CB . 27951 1 705 . 1 . 1 65 65 GLU CG C 13 36.288 0.02 . 1 . . . . . 60 GLU CG . 27951 1 706 . 1 . 1 65 65 GLU N N 15 114.947 0.07 . 1 . . . . . 60 GLU N . 27951 1 707 . 1 . 1 66 66 LEU H H 1 7.618 0.01 . 1 . . . . . 61 LEU H . 27951 1 708 . 1 . 1 66 66 LEU HA H 1 4.323 0.01 . 1 . . . . . 61 LEU HA . 27951 1 709 . 1 . 1 66 66 LEU HB2 H 1 1.713 0.01 . 2 . . . . . 61 LEU HB2 . 27951 1 710 . 1 . 1 66 66 LEU HB3 H 1 1.498 0.01 . 2 . . . . . 61 LEU HB3 . 27951 1 711 . 1 . 1 66 66 LEU HG H 1 1.718 0.01 . 1 . . . . . 61 LEU HG . 27951 1 712 . 1 . 1 66 66 LEU HD11 H 1 0.841 0.01 . 2 . . . . . 61 LEU HD11 . 27951 1 713 . 1 . 1 66 66 LEU HD12 H 1 0.841 0.01 . 2 . . . . . 61 LEU HD12 . 27951 1 714 . 1 . 1 66 66 LEU HD13 H 1 0.841 0.01 . 2 . . . . . 61 LEU HD13 . 27951 1 715 . 1 . 1 66 66 LEU HD21 H 1 0.829 0.01 . 2 . . . . . 61 LEU HD21 . 27951 1 716 . 1 . 1 66 66 LEU HD22 H 1 0.829 0.01 . 2 . . . . . 61 LEU HD22 . 27951 1 717 . 1 . 1 66 66 LEU HD23 H 1 0.829 0.01 . 2 . . . . . 61 LEU HD23 . 27951 1 718 . 1 . 1 66 66 LEU C C 13 178.295 0.04 . 1 . . . . . 61 LEU C . 27951 1 719 . 1 . 1 66 66 LEU CA C 13 55.543 0.04 . 1 . . . . . 61 LEU CA . 27951 1 720 . 1 . 1 66 66 LEU CB C 13 42.446 0.02 . 1 . . . . . 61 LEU CB . 27951 1 721 . 1 . 1 66 66 LEU CG C 13 27.431 0.11 . 1 . . . . . 61 LEU CG . 27951 1 722 . 1 . 1 66 66 LEU CD1 C 13 25.985 0.08 . 2 . . . . . 61 LEU CD1 . 27951 1 723 . 1 . 1 66 66 LEU CD2 C 13 22.805 0.03 . 2 . . . . . 61 LEU CD2 . 27951 1 724 . 1 . 1 66 66 LEU N N 15 116.565 0.05 . 1 . . . . . 61 LEU N . 27951 1 725 . 1 . 1 67 67 LEU H H 1 7.402 0.01 . 1 . . . . . 62 LEU H . 27951 1 726 . 1 . 1 67 67 LEU HA H 1 4.145 0.01 . 1 . . . . . 62 LEU HA . 27951 1 727 . 1 . 1 67 67 LEU HB2 H 1 1.898 0.01 . 2 . . . . . 62 LEU HB2 . 27951 1 728 . 1 . 1 67 67 LEU HB3 H 1 1.340 0.01 . 2 . . . . . 62 LEU HB3 . 27951 1 729 . 1 . 1 67 67 LEU HG H 1 1.534 0.01 . 1 . . . . . 62 LEU HG . 27951 1 730 . 1 . 1 67 67 LEU HD11 H 1 0.719 0.01 . 2 . . . . . 62 LEU HD11 . 27951 1 731 . 1 . 1 67 67 LEU HD12 H 1 0.719 0.01 . 2 . . . . . 62 LEU HD12 . 27951 1 732 . 1 . 1 67 67 LEU HD13 H 1 0.719 0.01 . 2 . . . . . 62 LEU HD13 . 27951 1 733 . 1 . 1 67 67 LEU HD21 H 1 0.506 0.01 . 2 . . . . . 62 LEU HD21 . 27951 1 734 . 1 . 1 67 67 LEU HD22 H 1 0.506 0.01 . 2 . . . . . 62 LEU HD22 . 27951 1 735 . 1 . 1 67 67 LEU HD23 H 1 0.506 0.01 . 2 . . . . . 62 LEU HD23 . 27951 1 736 . 1 . 1 67 67 LEU C C 13 176.675 0.03 . 1 . . . . . 62 LEU C . 27951 1 737 . 1 . 1 67 67 LEU CA C 13 54.585 0.05 . 1 . . . . . 62 LEU CA . 27951 1 738 . 1 . 1 67 67 LEU CB C 13 42.892 0.04 . 1 . . . . . 62 LEU CB . 27951 1 739 . 1 . 1 67 67 LEU CG C 13 27.058 0.03 . 1 . . . . . 62 LEU CG . 27951 1 740 . 1 . 1 67 67 LEU CD1 C 13 27.955 0.03 . 2 . . . . . 62 LEU CD1 . 27951 1 741 . 1 . 1 67 67 LEU CD2 C 13 24.514 0.02 . 2 . . . . . 62 LEU CD2 . 27951 1 742 . 1 . 1 67 67 LEU N N 15 118.019 0.06 . 1 . . . . . 62 LEU N . 27951 1 743 . 1 . 1 68 68 ASP H H 1 8.304 0.01 . 1 . . . . . 63 ASP H . 27951 1 744 . 1 . 1 68 68 ASP HA H 1 4.463 0.01 . 1 . . . . . 63 ASP HA . 27951 1 745 . 1 . 1 68 68 ASP HB2 H 1 2.832 0.01 . 2 . . . . . 63 ASP HB2 . 27951 1 746 . 1 . 1 68 68 ASP HB3 H 1 2.624 0.01 . 2 . . . . . 63 ASP HB3 . 27951 1 747 . 1 . 1 68 68 ASP C C 13 178.806 0.03 . 1 . . . . . 63 ASP C . 27951 1 748 . 1 . 1 68 68 ASP CA C 13 55.009 0.03 . 1 . . . . . 63 ASP CA . 27951 1 749 . 1 . 1 68 68 ASP CB C 13 41.171 0.05 . 1 . . . . . 63 ASP CB . 27951 1 750 . 1 . 1 68 68 ASP N N 15 120.382 0.07 . 1 . . . . . 63 ASP N . 27951 1 751 . 1 . 1 69 69 GLN H H 1 9.072 0.01 . 1 . . . . . 64 GLN H . 27951 1 752 . 1 . 1 69 69 GLN HA H 1 4.147 0.01 . 1 . . . . . 64 GLN HA . 27951 1 753 . 1 . 1 69 69 GLN HB2 H 1 2.258 0.01 . 2 . . . . . 64 GLN HB2 . 27951 1 754 . 1 . 1 69 69 GLN HB3 H 1 2.144 0.01 . 2 . . . . . 64 GLN HB3 . 27951 1 755 . 1 . 1 69 69 GLN HG2 H 1 2.552 0.01 . 2 . . . . . 64 GLN HG2 . 27951 1 756 . 1 . 1 69 69 GLN HG3 H 1 2.552 0.01 . 2 . . . . . 64 GLN HG3 . 27951 1 757 . 1 . 1 69 69 GLN HE21 H 1 6.891 0.01 . 2 . . . . . 64 GLN HE21 . 27951 1 758 . 1 . 1 69 69 GLN HE22 H 1 7.459 0.01 . 2 . . . . . 64 GLN HE22 . 27951 1 759 . 1 . 1 69 69 GLN C C 13 178.398 0.04 . 1 . . . . . 64 GLN C . 27951 1 760 . 1 . 1 69 69 GLN CA C 13 58.409 0.05 . 1 . . . . . 64 GLN CA . 27951 1 761 . 1 . 1 69 69 GLN CB C 13 28.469 0.03 . 1 . . . . . 64 GLN CB . 27951 1 762 . 1 . 1 69 69 GLN CG C 13 34.141 0.01 . 1 . . . . . 64 GLN CG . 27951 1 763 . 1 . 1 69 69 GLN N N 15 125.501 0.04 . 1 . . . . . 64 GLN N . 27951 1 764 . 1 . 1 69 69 GLN NE2 N 15 113.407 0.03 . 1 . . . . . 64 GLN NE2 . 27951 1 765 . 1 . 1 70 70 ASP H H 1 8.897 0.01 . 1 . . . . . 65 ASP H . 27951 1 766 . 1 . 1 70 70 ASP HA H 1 4.460 0.01 . 1 . . . . . 65 ASP HA . 27951 1 767 . 1 . 1 70 70 ASP HB2 H 1 2.784 0.01 . 2 . . . . . 65 ASP HB2 . 27951 1 768 . 1 . 1 70 70 ASP HB3 H 1 2.703 0.01 . 2 . . . . . 65 ASP HB3 . 27951 1 769 . 1 . 1 70 70 ASP C C 13 177.244 0.03 . 1 . . . . . 65 ASP C . 27951 1 770 . 1 . 1 70 70 ASP CA C 13 55.664 0.05 . 1 . . . . . 65 ASP CA . 27951 1 771 . 1 . 1 70 70 ASP CB C 13 39.214 0.05 . 1 . . . . . 65 ASP CB . 27951 1 772 . 1 . 1 70 70 ASP N N 15 118.934 0.05 . 1 . . . . . 65 ASP N . 27951 1 773 . 1 . 1 71 71 MET H H 1 7.708 0.01 . 1 . . . . . 66 MET H . 27951 1 774 . 1 . 1 71 71 MET HA H 1 4.546 0.01 . 1 . . . . . 66 MET HA . 27951 1 775 . 1 . 1 71 71 MET HB2 H 1 2.775 0.01 . 2 . . . . . 66 MET HB2 . 27951 1 776 . 1 . 1 71 71 MET HB3 H 1 2.573 0.01 . 2 . . . . . 66 MET HB3 . 27951 1 777 . 1 . 1 71 71 MET HG2 H 1 2.332 0.01 . 2 . . . . . 66 MET HG2 . 27951 1 778 . 1 . 1 71 71 MET HG3 H 1 1.919 0.01 . 2 . . . . . 66 MET HG3 . 27951 1 779 . 1 . 1 71 71 MET C C 13 177.097 0.04 . 1 . . . . . 66 MET C . 27951 1 780 . 1 . 1 71 71 MET CA C 13 56.282 0.09 . 1 . . . . . 66 MET CA . 27951 1 781 . 1 . 1 71 71 MET CB C 13 32.992 0.06 . 1 . . . . . 66 MET CB . 27951 1 782 . 1 . 1 71 71 MET CG C 13 33.158 0.03 . 1 . . . . . 66 MET CG . 27951 1 783 . 1 . 1 71 71 MET N N 15 116.564 0.07 . 1 . . . . . 66 MET N . 27951 1 784 . 1 . 1 72 72 ASN H H 1 7.959 0.01 . 1 . . . . . 67 ASN H . 27951 1 785 . 1 . 1 72 72 ASN HA H 1 4.333 0.01 . 1 . . . . . 67 ASN HA . 27951 1 786 . 1 . 1 72 72 ASN HB2 H 1 3.214 0.01 . 2 . . . . . 67 ASN HB2 . 27951 1 787 . 1 . 1 72 72 ASN HB3 H 1 2.719 0.01 . 2 . . . . . 67 ASN HB3 . 27951 1 788 . 1 . 1 72 72 ASN HD21 H 1 7.102 0.01 . 2 . . . . . 67 ASN HD21 . 27951 1 789 . 1 . 1 72 72 ASN HD22 H 1 7.126 0.01 . 2 . . . . . 67 ASN HD22 . 27951 1 790 . 1 . 1 72 72 ASN C C 13 172.710 0.03 . 1 . . . . . 67 ASN C . 27951 1 791 . 1 . 1 72 72 ASN CA C 13 54.594 0.05 . 1 . . . . . 67 ASN CA . 27951 1 792 . 1 . 1 72 72 ASN CB C 13 38.390 0.04 . 1 . . . . . 67 ASN CB . 27951 1 793 . 1 . 1 72 72 ASN N N 15 115.421 0.05 . 1 . . . . . 67 ASN N . 27951 1 794 . 1 . 1 72 72 ASN ND2 N 15 112.678 0.01 . 1 . . . . . 67 ASN ND2 . 27951 1 795 . 1 . 1 73 73 LEU H H 1 8.380 0.01 . 1 . . . . . 68 LEU H . 27951 1 796 . 1 . 1 73 73 LEU HA H 1 4.358 0.01 . 1 . . . . . 68 LEU HA . 27951 1 797 . 1 . 1 73 73 LEU HB2 H 1 1.499 0.01 . 2 . . . . . 68 LEU HB2 . 27951 1 798 . 1 . 1 73 73 LEU HB3 H 1 0.780 0.01 . 2 . . . . . 68 LEU HB3 . 27951 1 799 . 1 . 1 73 73 LEU HG H 1 1.160 0.01 . 1 . . . . . 68 LEU HG . 27951 1 800 . 1 . 1 73 73 LEU HD11 H 1 0.291 0.01 . 2 . . . . . 68 LEU HD11 . 27951 1 801 . 1 . 1 73 73 LEU HD12 H 1 0.291 0.01 . 2 . . . . . 68 LEU HD12 . 27951 1 802 . 1 . 1 73 73 LEU HD13 H 1 0.291 0.01 . 2 . . . . . 68 LEU HD13 . 27951 1 803 . 1 . 1 73 73 LEU HD21 H 1 -0.017 0.01 . 2 . . . . . 68 LEU HD21 . 27951 1 804 . 1 . 1 73 73 LEU HD22 H 1 -0.017 0.01 . 2 . . . . . 68 LEU HD22 . 27951 1 805 . 1 . 1 73 73 LEU HD23 H 1 -0.017 0.01 . 2 . . . . . 68 LEU HD23 . 27951 1 806 . 1 . 1 73 73 LEU C C 13 172.364 0.04 . 1 . . . . . 68 LEU C . 27951 1 807 . 1 . 1 73 73 LEU CA C 13 54.176 0.02 . 1 . . . . . 68 LEU CA . 27951 1 808 . 1 . 1 73 73 LEU CB C 13 41.242 0.06 . 1 . . . . . 68 LEU CB . 27951 1 809 . 1 . 1 73 73 LEU CG C 13 26.376 0.03 . 1 . . . . . 68 LEU CG . 27951 1 810 . 1 . 1 73 73 LEU CD1 C 13 25.191 0.01 . 2 . . . . . 68 LEU CD1 . 27951 1 811 . 1 . 1 73 73 LEU CD2 C 13 21.588 0.01 . 2 . . . . . 68 LEU CD2 . 27951 1 812 . 1 . 1 73 73 LEU N N 15 122.379 0.07 . 1 . . . . . 68 LEU N . 27951 1 813 . 1 . 1 74 74 HIS H H 1 7.960 0.01 . 1 . . . . . 69 HIS H . 27951 1 814 . 1 . 1 74 74 HIS HA H 1 4.763 0.01 . 1 . . . . . 69 HIS HA . 27951 1 815 . 1 . 1 74 74 HIS HB2 H 1 3.263 0.01 . 2 . . . . . 69 HIS HB2 . 27951 1 816 . 1 . 1 74 74 HIS HB3 H 1 2.653 0.01 . 2 . . . . . 69 HIS HB3 . 27951 1 817 . 1 . 1 74 74 HIS HD2 H 1 7.077 0.01 . 1 . . . . . 69 HIS HD2 . 27951 1 818 . 1 . 1 74 74 HIS HE1 H 1 8.785 0.01 . 1 . . . . . 69 HIS HE1 . 27951 1 819 . 1 . 1 74 74 HIS C C 13 173.690 0.04 . 1 . . . . . 69 HIS C . 27951 1 820 . 1 . 1 74 74 HIS CA C 13 52.879 0.04 . 1 . . . . . 69 HIS CA . 27951 1 821 . 1 . 1 74 74 HIS CB C 13 32.251 0.01 . 1 . . . . . 69 HIS CB . 27951 1 822 . 1 . 1 74 74 HIS CD2 C 13 120.080 0.03 . 1 . . . . . 69 HIS CD2 . 27951 1 823 . 1 . 1 74 74 HIS CE1 C 13 138.049 0.03 . 1 . . . . . 69 HIS CE1 . 27951 1 824 . 1 . 1 74 74 HIS N N 15 119.855 0.07 . 1 . . . . . 69 HIS N . 27951 1 825 . 1 . 1 74 74 HIS ND1 N 15 183.026 0.03 . 1 . . . . . 69 HIS ND1 . 27951 1 826 . 1 . 1 74 74 HIS NE2 N 15 171.918 0.03 . 1 . . . . . 69 HIS NE2 . 27951 1 827 . 1 . 1 75 75 HIS H H 1 9.759 0.01 . 1 . . . . . 70 HIS H . 27951 1 828 . 1 . 1 75 75 HIS HA H 1 4.605 0.01 . 1 . . . . . 70 HIS HA . 27951 1 829 . 1 . 1 75 75 HIS HB2 H 1 3.400 0.01 . 2 . . . . . 70 HIS HB2 . 27951 1 830 . 1 . 1 75 75 HIS HB3 H 1 3.170 0.01 . 2 . . . . . 70 HIS HB3 . 27951 1 831 . 1 . 1 75 75 HIS HD2 H 1 7.281 0.01 . 1 . . . . . 70 HIS HD2 . 27951 1 832 . 1 . 1 75 75 HIS HE1 H 1 8.646 0.01 . 1 . . . . . 70 HIS HE1 . 27951 1 833 . 1 . 1 75 75 HIS C C 13 176.313 0.04 . 1 . . . . . 70 HIS C . 27951 1 834 . 1 . 1 75 75 HIS CA C 13 58.002 0.05 . 1 . . . . . 70 HIS CA . 27951 1 835 . 1 . 1 75 75 HIS CB C 13 28.372 0.04 . 1 . . . . . 70 HIS CB . 27951 1 836 . 1 . 1 75 75 HIS CD2 C 13 120.212 0.04 . 1 . . . . . 70 HIS CD2 . 27951 1 837 . 1 . 1 75 75 HIS CE1 C 13 137.834 0.04 . 1 . . . . . 70 HIS CE1 . 27951 1 838 . 1 . 1 75 75 HIS N N 15 121.592 0.05 . 1 . . . . . 70 HIS N . 27951 1 839 . 1 . 1 75 75 HIS ND1 N 15 177.988 0.04 . 1 . . . . . 70 HIS ND1 . 27951 1 840 . 1 . 1 75 75 HIS NE2 N 15 172.696 0.04 . 1 . . . . . 70 HIS NE2 . 27951 1 841 . 1 . 1 76 76 GLY H H 1 9.091 0.01 . 1 . . . . . 71 GLY H . 27951 1 842 . 1 . 1 76 76 GLY HA2 H 1 4.021 0.01 . 2 . . . . . 71 GLY HA2 . 27951 1 843 . 1 . 1 76 76 GLY HA3 H 1 3.739 0.02 . 2 . . . . . 71 GLY HA3 . 27951 1 844 . 1 . 1 76 76 GLY C C 13 174.914 0.04 . 1 . . . . . 71 GLY C . 27951 1 845 . 1 . 1 76 76 GLY CA C 13 45.331 0.06 . 1 . . . . . 71 GLY CA . 27951 1 846 . 1 . 1 76 76 GLY N N 15 114.587 0.05 . 1 . . . . . 71 GLY N . 27951 1 847 . 1 . 1 77 77 LYS H H 1 7.542 0.01 . 1 . . . . . 72 LYS H . 27951 1 848 . 1 . 1 77 77 LYS HA H 1 5.078 0.01 . 1 . . . . . 72 LYS HA . 27951 1 849 . 1 . 1 77 77 LYS HB2 H 1 2.063 0.01 . 2 . . . . . 72 LYS HB2 . 27951 1 850 . 1 . 1 77 77 LYS HB3 H 1 1.756 0.01 . 2 . . . . . 72 LYS HB3 . 27951 1 851 . 1 . 1 77 77 LYS HG2 H 1 1.324 0.01 . 2 . . . . . 72 LYS HG2 . 27951 1 852 . 1 . 1 77 77 LYS HG3 H 1 1.211 0.01 . 2 . . . . . 72 LYS HG3 . 27951 1 853 . 1 . 1 77 77 LYS HD2 H 1 1.685 0.01 . 2 . . . . . 72 LYS HD2 . 27951 1 854 . 1 . 1 77 77 LYS HD3 H 1 1.494 0.01 . 2 . . . . . 72 LYS HD3 . 27951 1 855 . 1 . 1 77 77 LYS HE2 H 1 2.922 0.01 . 2 . . . . . 72 LYS HE2 . 27951 1 856 . 1 . 1 77 77 LYS HE3 H 1 2.922 0.01 . 2 . . . . . 72 LYS HE3 . 27951 1 857 . 1 . 1 77 77 LYS C C 13 177.500 0.03 . 1 . . . . . 72 LYS C . 27951 1 858 . 1 . 1 77 77 LYS CA C 13 54.124 0.03 . 1 . . . . . 72 LYS CA . 27951 1 859 . 1 . 1 77 77 LYS CB C 13 32.034 0.02 . 1 . . . . . 72 LYS CB . 27951 1 860 . 1 . 1 77 77 LYS CG C 13 24.281 0.06 . 1 . . . . . 72 LYS CG . 27951 1 861 . 1 . 1 77 77 LYS CD C 13 29.196 0.01 . 1 . . . . . 72 LYS CD . 27951 1 862 . 1 . 1 77 77 LYS CE C 13 42.524 0.01 . 1 . . . . . 72 LYS CE . 27951 1 863 . 1 . 1 77 77 LYS N N 15 120.151 0.09 . 1 . . . . . 72 LYS N . 27951 1 864 . 1 . 1 78 78 ALA H H 1 8.034 0.01 . 1 . . . . . 73 ALA H . 27951 1 865 . 1 . 1 78 78 ALA HA H 1 3.879 0.01 . 1 . . . . . 73 ALA HA . 27951 1 866 . 1 . 1 78 78 ALA HB1 H 1 1.621 0.01 . 2 . . . . . 73 ALA HB1 . 27951 1 867 . 1 . 1 78 78 ALA HB2 H 1 1.621 0.01 . 2 . . . . . 73 ALA HB2 . 27951 1 868 . 1 . 1 78 78 ALA HB3 H 1 1.621 0.01 . 2 . . . . . 73 ALA HB3 . 27951 1 869 . 1 . 1 78 78 ALA C C 13 179.205 0.04 . 1 . . . . . 73 ALA C . 27951 1 870 . 1 . 1 78 78 ALA CA C 13 56.365 0.06 . 1 . . . . . 73 ALA CA . 27951 1 871 . 1 . 1 78 78 ALA CB C 13 20.617 0.01 . 1 . . . . . 73 ALA CB . 27951 1 872 . 1 . 1 78 78 ALA N N 15 123.927 0.04 . 1 . . . . . 73 ALA N . 27951 1 873 . 1 . 1 79 79 MET H H 1 8.657 0.01 . 1 . . . . . 74 MET H . 27951 1 874 . 1 . 1 79 79 MET HA H 1 4.080 0.01 . 1 . . . . . 74 MET HA . 27951 1 875 . 1 . 1 79 79 MET HB2 H 1 2.099 0.01 . 2 . . . . . 74 MET HB2 . 27951 1 876 . 1 . 1 79 79 MET HB3 H 1 1.979 0.01 . 2 . . . . . 74 MET HB3 . 27951 1 877 . 1 . 1 79 79 MET HG2 H 1 2.663 0.01 . 2 . . . . . 74 MET HG2 . 27951 1 878 . 1 . 1 79 79 MET HG3 H 1 2.410 0.01 . 2 . . . . . 74 MET HG3 . 27951 1 879 . 1 . 1 79 79 MET C C 13 177.683 0.04 . 1 . . . . . 74 MET C . 27951 1 880 . 1 . 1 79 79 MET CA C 13 58.479 0.05 . 1 . . . . . 74 MET CA . 27951 1 881 . 1 . 1 79 79 MET CB C 13 30.902 0.03 . 1 . . . . . 74 MET CB . 27951 1 882 . 1 . 1 79 79 MET CG C 13 32.013 0.06 . 1 . . . . . 74 MET CG . 27951 1 883 . 1 . 1 79 79 MET N N 15 116.001 0.06 . 1 . . . . . 74 MET N . 27951 1 884 . 1 . 1 80 80 GLU H H 1 9.019 0.01 . 1 . . . . . 75 GLU H . 27951 1 885 . 1 . 1 80 80 GLU HA H 1 3.946 0.01 . 1 . . . . . 75 GLU HA . 27951 1 886 . 1 . 1 80 80 GLU HB2 H 1 2.159 0.01 . 2 . . . . . 75 GLU HB2 . 27951 1 887 . 1 . 1 80 80 GLU HB3 H 1 1.992 0.01 . 2 . . . . . 75 GLU HB3 . 27951 1 888 . 1 . 1 80 80 GLU HG2 H 1 2.466 0.01 . 2 . . . . . 75 GLU HG2 . 27951 1 889 . 1 . 1 80 80 GLU HG3 H 1 2.349 0.01 . 2 . . . . . 75 GLU HG3 . 27951 1 890 . 1 . 1 80 80 GLU C C 13 179.502 0.03 . 1 . . . . . 75 GLU C . 27951 1 891 . 1 . 1 80 80 GLU CA C 13 60.346 0.03 . 1 . . . . . 75 GLU CA . 27951 1 892 . 1 . 1 80 80 GLU CB C 13 29.174 0.02 . 1 . . . . . 75 GLU CB . 27951 1 893 . 1 . 1 80 80 GLU CG C 13 36.969 0.07 . 1 . . . . . 75 GLU CG . 27951 1 894 . 1 . 1 80 80 GLU N N 15 120.153 0.05 . 1 . . . . . 75 GLU N . 27951 1 895 . 1 . 1 81 81 PHE H H 1 7.882 0.01 . 1 . . . . . 76 PHE H . 27951 1 896 . 1 . 1 81 81 PHE HA H 1 4.476 0.01 . 1 . . . . . 76 PHE HA . 27951 1 897 . 1 . 1 81 81 PHE HB2 H 1 3.785 0.01 . 2 . . . . . 76 PHE HB2 . 27951 1 898 . 1 . 1 81 81 PHE HB3 H 1 3.153 0.01 . 2 . . . . . 76 PHE HB3 . 27951 1 899 . 1 . 1 81 81 PHE HD1 H 1 7.202 0.01 . 3 . . . . . 76 PHE HD1 . 27951 1 900 . 1 . 1 81 81 PHE HD2 H 1 7.202 0.01 . 3 . . . . . 76 PHE HD2 . 27951 1 901 . 1 . 1 81 81 PHE HZ H 1 6.811 0.01 . 1 . . . . . 76 PHE HZ . 27951 1 902 . 1 . 1 81 81 PHE C C 13 177.558 0.04 . 1 . . . . . 76 PHE C . 27951 1 903 . 1 . 1 81 81 PHE CA C 13 60.796 0.05 . 1 . . . . . 76 PHE CA . 27951 1 904 . 1 . 1 81 81 PHE CB C 13 38.515 0.03 . 1 . . . . . 76 PHE CB . 27951 1 905 . 1 . 1 81 81 PHE CD1 C 13 132.597 0.04 . 3 . . . . . 76 PHE CD1 . 27951 1 906 . 1 . 1 81 81 PHE CD2 C 13 132.597 0.04 . 3 . . . . . 76 PHE CD2 . 27951 1 907 . 1 . 1 81 81 PHE CZ C 13 128.984 0.04 . 1 . . . . . 76 PHE CZ . 27951 1 908 . 1 . 1 81 81 PHE N N 15 117.625 0.06 . 1 . . . . . 76 PHE N . 27951 1 909 . 1 . 1 82 82 ALA H H 1 8.181 0.01 . 1 . . . . . 77 ALA H . 27951 1 910 . 1 . 1 82 82 ALA HA H 1 3.382 0.01 . 1 . . . . . 77 ALA HA . 27951 1 911 . 1 . 1 82 82 ALA HB1 H 1 1.414 0.01 . 2 . . . . . 77 ALA HB1 . 27951 1 912 . 1 . 1 82 82 ALA HB2 H 1 1.414 0.01 . 2 . . . . . 77 ALA HB2 . 27951 1 913 . 1 . 1 82 82 ALA HB3 H 1 1.414 0.01 . 2 . . . . . 77 ALA HB3 . 27951 1 914 . 1 . 1 82 82 ALA C C 13 180.240 0.03 . 1 . . . . . 77 ALA C . 27951 1 915 . 1 . 1 82 82 ALA CA C 13 55.789 0.03 . 1 . . . . . 77 ALA CA . 27951 1 916 . 1 . 1 82 82 ALA CB C 13 19.251 0.01 . 1 . . . . . 77 ALA CB . 27951 1 917 . 1 . 1 82 82 ALA N N 15 123.430 0.04 . 1 . . . . . 77 ALA N . 27951 1 918 . 1 . 1 83 83 MET H H 1 8.306 0.01 . 1 . . . . . 78 MET H . 27951 1 919 . 1 . 1 83 83 MET HA H 1 4.767 0.01 . 1 . . . . . 78 MET HA . 27951 1 920 . 1 . 1 83 83 MET HB2 H 1 2.198 0.01 . 2 . . . . . 78 MET HB2 . 27951 1 921 . 1 . 1 83 83 MET HB3 H 1 2.006 0.01 . 2 . . . . . 78 MET HB3 . 27951 1 922 . 1 . 1 83 83 MET HG2 H 1 2.633 0.01 . 2 . . . . . 78 MET HG2 . 27951 1 923 . 1 . 1 83 83 MET HG3 H 1 2.385 0.01 . 2 . . . . . 78 MET HG3 . 27951 1 924 . 1 . 1 83 83 MET C C 13 179.431 0.04 . 1 . . . . . 78 MET C . 27951 1 925 . 1 . 1 83 83 MET CA C 13 58.039 0.05 . 1 . . . . . 78 MET CA . 27951 1 926 . 1 . 1 83 83 MET CB C 13 32.734 0.01 . 1 . . . . . 78 MET CB . 27951 1 927 . 1 . 1 83 83 MET CG C 13 32.013 0.04 . 1 . . . . . 78 MET CG . 27951 1 928 . 1 . 1 83 83 MET N N 15 116.273 0.04 . 1 . . . . . 78 MET N . 27951 1 929 . 1 . 1 84 84 LYS H H 1 7.658 0.01 . 1 . . . . . 79 LYS H . 27951 1 930 . 1 . 1 84 84 LYS HA H 1 4.263 0.01 . 1 . . . . . 79 LYS HA . 27951 1 931 . 1 . 1 84 84 LYS HB2 H 1 1.864 0.01 . 2 . . . . . 79 LYS HB2 . 27951 1 932 . 1 . 1 84 84 LYS HB3 H 1 1.811 0.01 . 2 . . . . . 79 LYS HB3 . 27951 1 933 . 1 . 1 84 84 LYS HG2 H 1 1.452 0.01 . 2 . . . . . 79 LYS HG2 . 27951 1 934 . 1 . 1 84 84 LYS HG3 H 1 1.452 0.01 . 2 . . . . . 79 LYS HG3 . 27951 1 935 . 1 . 1 84 84 LYS HD2 H 1 1.617 0.01 . 2 . . . . . 79 LYS HD2 . 27951 1 936 . 1 . 1 84 84 LYS HD3 H 1 1.617 0.01 . 2 . . . . . 79 LYS HD3 . 27951 1 937 . 1 . 1 84 84 LYS HE2 H 1 2.951 0.01 . 2 . . . . . 79 LYS HE2 . 27951 1 938 . 1 . 1 84 84 LYS HE3 H 1 2.951 0.01 . 2 . . . . . 79 LYS HE3 . 27951 1 939 . 1 . 1 84 84 LYS C C 13 176.788 0.04 . 1 . . . . . 79 LYS C . 27951 1 940 . 1 . 1 84 84 LYS CA C 13 56.872 0.04 . 1 . . . . . 79 LYS CA . 27951 1 941 . 1 . 1 84 84 LYS CB C 13 32.178 0.02 . 1 . . . . . 79 LYS CB . 27951 1 942 . 1 . 1 84 84 LYS CG C 13 25.419 0.01 . 1 . . . . . 79 LYS CG . 27951 1 943 . 1 . 1 84 84 LYS CD C 13 28.938 0.04 . 1 . . . . . 79 LYS CD . 27951 1 944 . 1 . 1 84 84 LYS N N 15 119.388 0.05 . 1 . . . . . 79 LYS N . 27951 1 945 . 1 . 1 85 85 HIS H H 1 7.484 0.01 . 1 . . . . . 80 HIS H . 27951 1 946 . 1 . 1 85 85 HIS HA H 1 4.523 0.01 . 1 . . . . . 80 HIS HA . 27951 1 947 . 1 . 1 85 85 HIS HB2 H 1 3.380 0.01 . 2 . . . . . 80 HIS HB2 . 27951 1 948 . 1 . 1 85 85 HIS HB3 H 1 2.212 0.01 . 2 . . . . . 80 HIS HB3 . 27951 1 949 . 1 . 1 85 85 HIS HD2 H 1 7.140 0.01 . 1 . . . . . 80 HIS HD2 . 27951 1 950 . 1 . 1 85 85 HIS HE1 H 1 8.727 0.01 . 1 . . . . . 80 HIS HE1 . 27951 1 951 . 1 . 1 85 85 HIS C C 13 174.218 0.04 . 1 . . . . . 80 HIS C . 27951 1 952 . 1 . 1 85 85 HIS CA C 13 55.697 0.06 . 1 . . . . . 80 HIS CA . 27951 1 953 . 1 . 1 85 85 HIS CB C 13 28.107 0.01 . 1 . . . . . 80 HIS CB . 27951 1 954 . 1 . 1 85 85 HIS CD2 C 13 121.145 0.04 . 1 . . . . . 80 HIS CD2 . 27951 1 955 . 1 . 1 85 85 HIS CE1 C 13 136.018 0.04 . 1 . . . . . 80 HIS CE1 . 27951 1 956 . 1 . 1 85 85 HIS N N 15 116.484 0.05 . 1 . . . . . 80 HIS N . 27951 1 957 . 1 . 1 85 85 HIS ND1 N 15 176.412 0.03 . 1 . . . . . 80 HIS ND1 . 27951 1 958 . 1 . 1 85 85 HIS NE2 N 15 173.746 0.03 . 1 . . . . . 80 HIS NE2 . 27951 1 959 . 1 . 1 86 86 GLY H H 1 7.668 0.01 . 1 . . . . . 81 GLY H . 27951 1 960 . 1 . 1 86 86 GLY HA2 H 1 4.230 0.01 . 2 . . . . . 81 GLY HA2 . 27951 1 961 . 1 . 1 86 86 GLY HA3 H 1 3.652 0.01 . 2 . . . . . 81 GLY HA3 . 27951 1 962 . 1 . 1 86 86 GLY C C 13 174.146 0.04 . 1 . . . . . 81 GLY C . 27951 1 963 . 1 . 1 86 86 GLY CA C 13 46.050 0.02 . 1 . . . . . 81 GLY CA . 27951 1 964 . 1 . 1 86 86 GLY N N 15 105.854 0.04 . 1 . . . . . 81 GLY N . 27951 1 965 . 1 . 1 87 87 ALA H H 1 7.755 0.01 . 1 . . . . . 82 ALA H . 27951 1 966 . 1 . 1 87 87 ALA HA H 1 4.520 0.01 . 1 . . . . . 82 ALA HA . 27951 1 967 . 1 . 1 87 87 ALA HB1 H 1 1.188 0.01 . 2 . . . . . 82 ALA HB1 . 27951 1 968 . 1 . 1 87 87 ALA HB2 H 1 1.188 0.01 . 2 . . . . . 82 ALA HB2 . 27951 1 969 . 1 . 1 87 87 ALA HB3 H 1 1.188 0.01 . 2 . . . . . 82 ALA HB3 . 27951 1 970 . 1 . 1 87 87 ALA C C 13 176.589 0.03 . 1 . . . . . 82 ALA C . 27951 1 971 . 1 . 1 87 87 ALA CA C 13 51.241 0.05 . 1 . . . . . 82 ALA CA . 27951 1 972 . 1 . 1 87 87 ALA CB C 13 19.768 0.04 . 1 . . . . . 82 ALA CB . 27951 1 973 . 1 . 1 87 87 ALA N N 15 123.069 0.04 . 1 . . . . . 82 ALA N . 27951 1 974 . 1 . 1 88 88 ASP H H 1 7.645 0.01 . 1 . . . . . 83 ASP H . 27951 1 975 . 1 . 1 88 88 ASP HA H 1 4.662 0.01 . 1 . . . . . 83 ASP HA . 27951 1 976 . 1 . 1 88 88 ASP HB2 H 1 3.057 0.01 . 2 . . . . . 83 ASP HB2 . 27951 1 977 . 1 . 1 88 88 ASP HB3 H 1 2.725 0.01 . 2 . . . . . 83 ASP HB3 . 27951 1 978 . 1 . 1 88 88 ASP C C 13 175.516 0.03 . 1 . . . . . 83 ASP C . 27951 1 979 . 1 . 1 88 88 ASP CA C 13 52.371 0.05 . 1 . . . . . 83 ASP CA . 27951 1 980 . 1 . 1 88 88 ASP CB C 13 40.737 0.04 . 1 . . . . . 83 ASP CB . 27951 1 981 . 1 . 1 88 88 ASP N N 15 120.358 0.04 . 1 . . . . . 83 ASP N . 27951 1 982 . 1 . 1 89 89 GLU H H 1 8.638 0.01 . 1 . . . . . 84 GLU H . 27951 1 983 . 1 . 1 89 89 GLU HA H 1 3.878 0.01 . 1 . . . . . 84 GLU HA . 27951 1 984 . 1 . 1 89 89 GLU HB2 H 1 2.075 0.02 . 2 . . . . . 84 GLU HB2 . 27951 1 985 . 1 . 1 89 89 GLU HB3 H 1 1.987 0.01 . 2 . . . . . 84 GLU HB3 . 27951 1 986 . 1 . 1 89 89 GLU HG2 H 1 2.356 0.01 . 2 . . . . . 84 GLU HG2 . 27951 1 987 . 1 . 1 89 89 GLU HG3 H 1 2.260 0.01 . 2 . . . . . 84 GLU HG3 . 27951 1 988 . 1 . 1 89 89 GLU C C 13 177.686 0.04 . 1 . . . . . 84 GLU C . 27951 1 989 . 1 . 1 89 89 GLU CA C 13 60.369 0.04 . 1 . . . . . 84 GLU CA . 27951 1 990 . 1 . 1 89 89 GLU CB C 13 29.330 0.02 . 1 . . . . . 84 GLU CB . 27951 1 991 . 1 . 1 89 89 GLU CG C 13 35.308 0.02 . 1 . . . . . 84 GLU CG . 27951 1 992 . 1 . 1 89 89 GLU N N 15 120.538 0.04 . 1 . . . . . 84 GLU N . 27951 1 993 . 1 . 1 90 90 ALA H H 1 8.045 0.01 . 1 . . . . . 85 ALA H . 27951 1 994 . 1 . 1 90 90 ALA HA H 1 4.015 0.01 . 1 . . . . . 85 ALA HA . 27951 1 995 . 1 . 1 90 90 ALA HB1 H 1 1.378 0.01 . 2 . . . . . 85 ALA HB1 . 27951 1 996 . 1 . 1 90 90 ALA HB2 H 1 1.378 0.01 . 2 . . . . . 85 ALA HB2 . 27951 1 997 . 1 . 1 90 90 ALA HB3 H 1 1.378 0.01 . 2 . . . . . 85 ALA HB3 . 27951 1 998 . 1 . 1 90 90 ALA C C 13 181.237 0.04 . 1 . . . . . 85 ALA C . 27951 1 999 . 1 . 1 90 90 ALA CA C 13 55.369 0.03 . 1 . . . . . 85 ALA CA . 27951 1 1000 . 1 . 1 90 90 ALA CB C 13 17.989 0.01 . 1 . . . . . 85 ALA CB . 27951 1 1001 . 1 . 1 90 90 ALA N N 15 120.263 0.09 . 1 . . . . . 85 ALA N . 27951 1 1002 . 1 . 1 91 91 MET H H 1 8.143 0.01 . 1 . . . . . 86 MET H . 27951 1 1003 . 1 . 1 91 91 MET HA H 1 3.889 0.01 . 1 . . . . . 86 MET HA . 27951 1 1004 . 1 . 1 91 91 MET HB2 H 1 1.914 0.01 . 2 . . . . . 86 MET HB2 . 27951 1 1005 . 1 . 1 91 91 MET HB3 H 1 1.755 0.01 . 2 . . . . . 86 MET HB3 . 27951 1 1006 . 1 . 1 91 91 MET HG2 H 1 2.186 0.01 . 2 . . . . . 86 MET HG2 . 27951 1 1007 . 1 . 1 91 91 MET HG3 H 1 1.227 0.01 . 2 . . . . . 86 MET HG3 . 27951 1 1008 . 1 . 1 91 91 MET C C 13 177.471 0.04 . 1 . . . . . 86 MET C . 27951 1 1009 . 1 . 1 91 91 MET CA C 13 58.722 0.04 . 1 . . . . . 86 MET CA . 27951 1 1010 . 1 . 1 91 91 MET CB C 13 34.250 0.06 . 1 . . . . . 86 MET CB . 27951 1 1011 . 1 . 1 91 91 MET CG C 13 31.471 0.01 . 1 . . . . . 86 MET CG . 27951 1 1012 . 1 . 1 91 91 MET N N 15 119.985 0.04 . 1 . . . . . 86 MET N . 27951 1 1013 . 1 . 1 92 92 ALA H H 1 8.204 0.01 . 1 . . . . . 87 ALA H . 27951 1 1014 . 1 . 1 92 92 ALA HA H 1 4.526 0.01 . 1 . . . . . 87 ALA HA . 27951 1 1015 . 1 . 1 92 92 ALA HB1 H 1 1.407 0.01 . 2 . . . . . 87 ALA HB1 . 27951 1 1016 . 1 . 1 92 92 ALA HB2 H 1 1.407 0.01 . 2 . . . . . 87 ALA HB2 . 27951 1 1017 . 1 . 1 92 92 ALA HB3 H 1 1.407 0.01 . 2 . . . . . 87 ALA HB3 . 27951 1 1018 . 1 . 1 92 92 ALA C C 13 182.226 0.03 . 1 . . . . . 87 ALA C . 27951 1 1019 . 1 . 1 92 92 ALA CA C 13 53.904 0.05 . 1 . . . . . 87 ALA CA . 27951 1 1020 . 1 . 1 92 92 ALA CB C 13 19.479 0.02 . 1 . . . . . 87 ALA CB . 27951 1 1021 . 1 . 1 92 92 ALA N N 15 120.172 0.05 . 1 . . . . . 87 ALA N . 27951 1 1022 . 1 . 1 93 93 LYS H H 1 8.562 0.01 . 1 . . . . . 88 LYS H . 27951 1 1023 . 1 . 1 93 93 LYS HA H 1 4.063 0.01 . 1 . . . . . 88 LYS HA . 27951 1 1024 . 1 . 1 93 93 LYS HB2 H 1 1.960 0.01 . 2 . . . . . 88 LYS HB2 . 27951 1 1025 . 1 . 1 93 93 LYS HB3 H 1 1.911 0.01 . 2 . . . . . 88 LYS HB3 . 27951 1 1026 . 1 . 1 93 93 LYS HG2 H 1 1.567 0.01 . 2 . . . . . 88 LYS HG2 . 27951 1 1027 . 1 . 1 93 93 LYS HG3 H 1 1.507 0.01 . 2 . . . . . 88 LYS HG3 . 27951 1 1028 . 1 . 1 93 93 LYS HD2 H 1 1.777 0.01 . 2 . . . . . 88 LYS HD2 . 27951 1 1029 . 1 . 1 93 93 LYS HD3 H 1 1.656 0.01 . 2 . . . . . 88 LYS HD3 . 27951 1 1030 . 1 . 1 93 93 LYS HE2 H 1 3.040 0.01 . 2 . . . . . 88 LYS HE2 . 27951 1 1031 . 1 . 1 93 93 LYS HE3 H 1 3.040 0.01 . 2 . . . . . 88 LYS HE3 . 27951 1 1032 . 1 . 1 93 93 LYS C C 13 177.977 0.03 . 1 . . . . . 88 LYS C . 27951 1 1033 . 1 . 1 93 93 LYS CA C 13 59.326 0.02 . 1 . . . . . 88 LYS CA . 27951 1 1034 . 1 . 1 93 93 LYS CB C 13 32.838 0.02 . 1 . . . . . 88 LYS CB . 27951 1 1035 . 1 . 1 93 93 LYS CG C 13 25.345 0.03 . 1 . . . . . 88 LYS CG . 27951 1 1036 . 1 . 1 93 93 LYS CD C 13 29.297 0.03 . 1 . . . . . 88 LYS CD . 27951 1 1037 . 1 . 1 93 93 LYS CE C 13 42.393 0.03 . 1 . . . . . 88 LYS CE . 27951 1 1038 . 1 . 1 93 93 LYS N N 15 119.348 0.05 . 1 . . . . . 88 LYS N . 27951 1 1039 . 1 . 1 94 94 GLN H H 1 8.271 0.01 . 1 . . . . . 89 GLN H . 27951 1 1040 . 1 . 1 94 94 GLN HA H 1 4.239 0.01 . 1 . . . . . 89 GLN HA . 27951 1 1041 . 1 . 1 94 94 GLN HB2 H 1 2.458 0.01 . 2 . . . . . 89 GLN HB2 . 27951 1 1042 . 1 . 1 94 94 GLN HB3 H 1 2.390 0.01 . 2 . . . . . 89 GLN HB3 . 27951 1 1043 . 1 . 1 94 94 GLN HG2 H 1 2.667 0.01 . 2 . . . . . 89 GLN HG2 . 27951 1 1044 . 1 . 1 94 94 GLN HG3 H 1 2.375 0.01 . 2 . . . . . 89 GLN HG3 . 27951 1 1045 . 1 . 1 94 94 GLN HE21 H 1 6.980 0.01 . 2 . . . . . 89 GLN HE21 . 27951 1 1046 . 1 . 1 94 94 GLN HE22 H 1 7.331 0.01 . 2 . . . . . 89 GLN HE22 . 27951 1 1047 . 1 . 1 94 94 GLN C C 13 179.052 0.04 . 1 . . . . . 89 GLN C . 27951 1 1048 . 1 . 1 94 94 GLN CA C 13 59.568 0.04 . 1 . . . . . 89 GLN CA . 27951 1 1049 . 1 . 1 94 94 GLN CB C 13 28.555 0.03 . 1 . . . . . 89 GLN CB . 27951 1 1050 . 1 . 1 94 94 GLN CG C 13 34.307 0.01 . 1 . . . . . 89 GLN CG . 27951 1 1051 . 1 . 1 94 94 GLN N N 15 120.720 0.18 . 1 . . . . . 89 GLN N . 27951 1 1052 . 1 . 1 94 94 GLN NE2 N 15 111.257 0.03 . 1 . . . . . 89 GLN NE2 . 27951 1 1053 . 1 . 1 95 95 LEU H H 1 7.853 0.01 . 1 . . . . . 90 LEU H . 27951 1 1054 . 1 . 1 95 95 LEU HA H 1 4.136 0.01 . 1 . . . . . 90 LEU HA . 27951 1 1055 . 1 . 1 95 95 LEU HB2 H 1 2.102 0.01 . 2 . . . . . 90 LEU HB2 . 27951 1 1056 . 1 . 1 95 95 LEU HB3 H 1 1.346 0.01 . 2 . . . . . 90 LEU HB3 . 27951 1 1057 . 1 . 1 95 95 LEU HG H 1 2.137 0.01 . 1 . . . . . 90 LEU HG . 27951 1 1058 . 1 . 1 95 95 LEU HD11 H 1 0.942 0.01 . 2 . . . . . 90 LEU HD11 . 27951 1 1059 . 1 . 1 95 95 LEU HD12 H 1 0.942 0.01 . 2 . . . . . 90 LEU HD12 . 27951 1 1060 . 1 . 1 95 95 LEU HD13 H 1 0.942 0.01 . 2 . . . . . 90 LEU HD13 . 27951 1 1061 . 1 . 1 95 95 LEU HD21 H 1 0.708 0.01 . 2 . . . . . 90 LEU HD21 . 27951 1 1062 . 1 . 1 95 95 LEU HD22 H 1 0.708 0.01 . 2 . . . . . 90 LEU HD22 . 27951 1 1063 . 1 . 1 95 95 LEU HD23 H 1 0.708 0.01 . 2 . . . . . 90 LEU HD23 . 27951 1 1064 . 1 . 1 95 95 LEU C C 13 179.061 0.03 . 1 . . . . . 90 LEU C . 27951 1 1065 . 1 . 1 95 95 LEU CA C 13 58.601 0.05 . 1 . . . . . 90 LEU CA . 27951 1 1066 . 1 . 1 95 95 LEU CB C 13 41.241 0.05 . 1 . . . . . 90 LEU CB . 27951 1 1067 . 1 . 1 95 95 LEU CG C 13 27.191 0.02 . 1 . . . . . 90 LEU CG . 27951 1 1068 . 1 . 1 95 95 LEU CD1 C 13 26.302 0.02 . 2 . . . . . 90 LEU CD1 . 27951 1 1069 . 1 . 1 95 95 LEU CD2 C 13 23.816 0.01 . 2 . . . . . 90 LEU CD2 . 27951 1 1070 . 1 . 1 95 95 LEU N N 15 115.907 0.07 . 1 . . . . . 90 LEU N . 27951 1 1071 . 1 . 1 96 96 LEU H H 1 7.057 0.01 . 1 . . . . . 91 LEU H . 27951 1 1072 . 1 . 1 96 96 LEU HA H 1 3.859 0.01 . 1 . . . . . 91 LEU HA . 27951 1 1073 . 1 . 1 96 96 LEU HB2 H 1 1.916 0.01 . 2 . . . . . 91 LEU HB2 . 27951 1 1074 . 1 . 1 96 96 LEU HB3 H 1 1.252 0.01 . 2 . . . . . 91 LEU HB3 . 27951 1 1075 . 1 . 1 96 96 LEU HG H 1 1.642 0.01 . 1 . . . . . 91 LEU HG . 27951 1 1076 . 1 . 1 96 96 LEU HD11 H 1 0.885 0.01 . 2 . . . . . 91 LEU HD11 . 27951 1 1077 . 1 . 1 96 96 LEU HD12 H 1 0.885 0.01 . 2 . . . . . 91 LEU HD12 . 27951 1 1078 . 1 . 1 96 96 LEU HD13 H 1 0.885 0.01 . 2 . . . . . 91 LEU HD13 . 27951 1 1079 . 1 . 1 96 96 LEU HD21 H 1 0.720 0.01 . 2 . . . . . 91 LEU HD21 . 27951 1 1080 . 1 . 1 96 96 LEU HD22 H 1 0.720 0.01 . 2 . . . . . 91 LEU HD22 . 27951 1 1081 . 1 . 1 96 96 LEU HD23 H 1 0.720 0.01 . 2 . . . . . 91 LEU HD23 . 27951 1 1082 . 1 . 1 96 96 LEU C C 13 178.667 0.03 . 1 . . . . . 91 LEU C . 27951 1 1083 . 1 . 1 96 96 LEU CA C 13 57.741 0.02 . 1 . . . . . 91 LEU CA . 27951 1 1084 . 1 . 1 96 96 LEU CB C 13 41.785 0.03 . 1 . . . . . 91 LEU CB . 27951 1 1085 . 1 . 1 96 96 LEU CG C 13 26.658 0.18 . 1 . . . . . 91 LEU CG . 27951 1 1086 . 1 . 1 96 96 LEU CD1 C 13 25.159 0.12 . 2 . . . . . 91 LEU CD1 . 27951 1 1087 . 1 . 1 96 96 LEU CD2 C 13 22.712 0.05 . 2 . . . . . 91 LEU CD2 . 27951 1 1088 . 1 . 1 96 96 LEU N N 15 119.358 0.05 . 1 . . . . . 91 LEU N . 27951 1 1089 . 1 . 1 97 97 ASP H H 1 8.841 0.01 . 1 . . . . . 92 ASP H . 27951 1 1090 . 1 . 1 97 97 ASP HA H 1 4.422 0.01 . 1 . . . . . 92 ASP HA . 27951 1 1091 . 1 . 1 97 97 ASP HB2 H 1 2.996 0.01 . 2 . . . . . 92 ASP HB2 . 27951 1 1092 . 1 . 1 97 97 ASP HB3 H 1 2.776 0.01 . 2 . . . . . 92 ASP HB3 . 27951 1 1093 . 1 . 1 97 97 ASP C C 13 180.095 0.03 . 1 . . . . . 92 ASP C . 27951 1 1094 . 1 . 1 97 97 ASP CA C 13 57.724 0.03 . 1 . . . . . 92 ASP CA . 27951 1 1095 . 1 . 1 97 97 ASP CB C 13 39.572 0.05 . 1 . . . . . 92 ASP CB . 27951 1 1096 . 1 . 1 97 97 ASP N N 15 121.508 0.05 . 1 . . . . . 92 ASP N . 27951 1 1097 . 1 . 1 98 98 ILE H H 1 8.421 0.01 . 1 . . . . . 93 ILE H . 27951 1 1098 . 1 . 1 98 98 ILE HA H 1 3.850 0.01 . 1 . . . . . 93 ILE HA . 27951 1 1099 . 1 . 1 98 98 ILE HB H 1 2.089 0.01 . 1 . . . . . 93 ILE HB . 27951 1 1100 . 1 . 1 98 98 ILE HG12 H 1 1.994 0.01 . 2 . . . . . 93 ILE HG12 . 27951 1 1101 . 1 . 1 98 98 ILE HG13 H 1 1.223 0.01 . 2 . . . . . 93 ILE HG13 . 27951 1 1102 . 1 . 1 98 98 ILE HG21 H 1 0.976 0.01 . 2 . . . . . 93 ILE HG21 . 27951 1 1103 . 1 . 1 98 98 ILE HG22 H 1 0.976 0.01 . 2 . . . . . 93 ILE HG22 . 27951 1 1104 . 1 . 1 98 98 ILE HG23 H 1 0.976 0.01 . 2 . . . . . 93 ILE HG23 . 27951 1 1105 . 1 . 1 98 98 ILE HD11 H 1 0.784 0.01 . 2 . . . . . 93 ILE HD11 . 27951 1 1106 . 1 . 1 98 98 ILE HD12 H 1 0.784 0.01 . 2 . . . . . 93 ILE HD12 . 27951 1 1107 . 1 . 1 98 98 ILE HD13 H 1 0.784 0.01 . 2 . . . . . 93 ILE HD13 . 27951 1 1108 . 1 . 1 98 98 ILE C C 13 178.618 0.03 . 1 . . . . . 93 ILE C . 27951 1 1109 . 1 . 1 98 98 ILE CA C 13 65.472 0.05 . 1 . . . . . 93 ILE CA . 27951 1 1110 . 1 . 1 98 98 ILE CB C 13 38.011 0.04 . 1 . . . . . 93 ILE CB . 27951 1 1111 . 1 . 1 98 98 ILE CG1 C 13 29.422 0.04 . 2 . . . . . 93 ILE CG1 . 27951 1 1112 . 1 . 1 98 98 ILE CG2 C 13 18.861 0.04 . 2 . . . . . 93 ILE CG2 . 27951 1 1113 . 1 . 1 98 98 ILE CD1 C 13 15.132 0.02 . 1 . . . . . 93 ILE CD1 . 27951 1 1114 . 1 . 1 98 98 ILE N N 15 122.235 0.06 . 1 . . . . . 93 ILE N . 27951 1 1115 . 1 . 1 99 99 LYS H H 1 8.012 0.01 . 1 . . . . . 94 LYS H . 27951 1 1116 . 1 . 1 99 99 LYS HA H 1 3.756 0.01 . 1 . . . . . 94 LYS HA . 27951 1 1117 . 1 . 1 99 99 LYS HB2 H 1 1.999 0.01 . 2 . . . . . 94 LYS HB2 . 27951 1 1118 . 1 . 1 99 99 LYS HB3 H 1 1.772 0.01 . 2 . . . . . 94 LYS HB3 . 27951 1 1119 . 1 . 1 99 99 LYS HG2 H 1 1.713 0.01 . 2 . . . . . 94 LYS HG2 . 27951 1 1120 . 1 . 1 99 99 LYS HG3 H 1 0.999 0.01 . 2 . . . . . 94 LYS HG3 . 27951 1 1121 . 1 . 1 99 99 LYS HD2 H 1 1.823 0.01 . 2 . . . . . 94 LYS HD2 . 27951 1 1122 . 1 . 1 99 99 LYS HD3 H 1 1.369 0.01 . 2 . . . . . 94 LYS HD3 . 27951 1 1123 . 1 . 1 99 99 LYS HE2 H 1 3.016 0.01 . 2 . . . . . 94 LYS HE2 . 27951 1 1124 . 1 . 1 99 99 LYS HE3 H 1 2.607 0.01 . 2 . . . . . 94 LYS HE3 . 27951 1 1125 . 1 . 1 99 99 LYS C C 13 178.002 0.04 . 1 . . . . . 94 LYS C . 27951 1 1126 . 1 . 1 99 99 LYS CA C 13 61.541 0.06 . 1 . . . . . 94 LYS CA . 27951 1 1127 . 1 . 1 99 99 LYS CB C 13 32.612 0.02 . 1 . . . . . 94 LYS CB . 27951 1 1128 . 1 . 1 99 99 LYS CG C 13 26.069 0.08 . 1 . . . . . 94 LYS CG . 27951 1 1129 . 1 . 1 99 99 LYS CD C 13 29.703 0.02 . 1 . . . . . 94 LYS CD . 27951 1 1130 . 1 . 1 99 99 LYS CE C 13 42.690 0.06 . 1 . . . . . 94 LYS CE . 27951 1 1131 . 1 . 1 99 99 LYS N N 15 121.454 0.06 . 1 . . . . . 94 LYS N . 27951 1 1132 . 1 . 1 100 100 HIS H H 1 8.743 0.01 . 1 . . . . . 95 HIS H . 27951 1 1133 . 1 . 1 100 100 HIS HA H 1 4.636 0.01 . 1 . . . . . 95 HIS HA . 27951 1 1134 . 1 . 1 100 100 HIS HB2 H 1 3.372 0.01 . 2 . . . . . 95 HIS HB2 . 27951 1 1135 . 1 . 1 100 100 HIS HB3 H 1 3.372 0.01 . 2 . . . . . 95 HIS HB3 . 27951 1 1136 . 1 . 1 100 100 HIS HD2 H 1 7.468 0.01 . 1 . . . . . 95 HIS HD2 . 27951 1 1137 . 1 . 1 100 100 HIS HE1 H 1 8.689 0.01 . 1 . . . . . 95 HIS HE1 . 27951 1 1138 . 1 . 1 100 100 HIS C C 13 177.759 0.03 . 1 . . . . . 95 HIS C . 27951 1 1139 . 1 . 1 100 100 HIS CA C 13 57.371 0.04 . 1 . . . . . 95 HIS CA . 27951 1 1140 . 1 . 1 100 100 HIS CB C 13 28.250 0.03 . 1 . . . . . 95 HIS CB . 27951 1 1141 . 1 . 1 100 100 HIS CD2 C 13 119.161 0.03 . 1 . . . . . 95 HIS CD2 . 27951 1 1142 . 1 . 1 100 100 HIS CE1 C 13 135.860 0.03 . 1 . . . . . 95 HIS CE1 . 27951 1 1143 . 1 . 1 100 100 HIS N N 15 116.503 0.04 . 1 . . . . . 95 HIS N . 27951 1 1144 . 1 . 1 100 100 HIS ND1 N 15 177.035 0.03 . 1 . . . . . 95 HIS ND1 . 27951 1 1145 . 1 . 1 100 100 HIS NE2 N 15 176.050 0.03 . 1 . . . . . 95 HIS NE2 . 27951 1 1146 . 1 . 1 101 101 SER H H 1 8.866 0.01 . 1 . . . . . 96 SER H . 27951 1 1147 . 1 . 1 101 101 SER HA H 1 4.342 0.01 . 1 . . . . . 96 SER HA . 27951 1 1148 . 1 . 1 101 101 SER HB2 H 1 4.149 0.01 . 2 . . . . . 96 SER HB2 . 27951 1 1149 . 1 . 1 101 101 SER HB3 H 1 4.046 0.01 . 2 . . . . . 96 SER HB3 . 27951 1 1150 . 1 . 1 101 101 SER C C 13 178.239 0.04 . 1 . . . . . 96 SER C . 27951 1 1151 . 1 . 1 101 101 SER CA C 13 62.342 0.02 . 1 . . . . . 96 SER CA . 27951 1 1152 . 1 . 1 101 101 SER CB C 13 62.574 0.01 . 1 . . . . . 96 SER CB . 27951 1 1153 . 1 . 1 101 101 SER N N 15 118.222 0.04 . 1 . . . . . 96 SER N . 27951 1 1154 . 1 . 1 102 102 CYS H H 1 8.552 0.01 . 1 . . . . . 97 CYS H . 27951 1 1155 . 1 . 1 102 102 CYS HA H 1 4.539 0.01 . 1 . . . . . 97 CYS HA . 27951 1 1156 . 1 . 1 102 102 CYS HB2 H 1 3.614 0.01 . 2 . . . . . 97 CYS HB2 . 27951 1 1157 . 1 . 1 102 102 CYS HB3 H 1 2.865 0.01 . 2 . . . . . 97 CYS HB3 . 27951 1 1158 . 1 . 1 102 102 CYS C C 13 176.720 0.04 . 1 . . . . . 97 CYS C . 27951 1 1159 . 1 . 1 102 102 CYS CA C 13 59.847 0.06 . 1 . . . . . 97 CYS CA . 27951 1 1160 . 1 . 1 102 102 CYS CB C 13 40.658 0.03 . 1 . . . . . 97 CYS CB . 27951 1 1161 . 1 . 1 102 102 CYS N N 15 120.682 0.06 . 1 . . . . . 97 CYS N . 27951 1 1162 . 1 . 1 103 103 GLU H H 1 8.152 0.01 . 1 . . . . . 98 GLU H . 27951 1 1163 . 1 . 1 103 103 GLU HA H 1 3.799 0.01 . 1 . . . . . 98 GLU HA . 27951 1 1164 . 1 . 1 103 103 GLU HB2 H 1 2.373 0.01 . 2 . . . . . 98 GLU HB2 . 27951 1 1165 . 1 . 1 103 103 GLU HB3 H 1 2.183 0.01 . 2 . . . . . 98 GLU HB3 . 27951 1 1166 . 1 . 1 103 103 GLU HG2 H 1 2.763 0.01 . 2 . . . . . 98 GLU HG2 . 27951 1 1167 . 1 . 1 103 103 GLU HG3 H 1 2.373 0.01 . 2 . . . . . 98 GLU HG3 . 27951 1 1168 . 1 . 1 103 103 GLU C C 13 177.057 0.03 . 1 . . . . . 98 GLU C . 27951 1 1169 . 1 . 1 103 103 GLU CA C 13 60.109 0.04 . 1 . . . . . 98 GLU CA . 27951 1 1170 . 1 . 1 103 103 GLU CB C 13 29.664 0.05 . 1 . . . . . 98 GLU CB . 27951 1 1171 . 1 . 1 103 103 GLU CG C 13 37.876 0.04 . 1 . . . . . 98 GLU CG . 27951 1 1172 . 1 . 1 103 103 GLU N N 15 118.596 0.06 . 1 . . . . . 98 GLU N . 27951 1 1173 . 1 . 1 104 104 LYS H H 1 7.214 0.01 . 1 . . . . . 99 LYS H . 27951 1 1174 . 1 . 1 104 104 LYS HA H 1 4.373 0.01 . 1 . . . . . 99 LYS HA . 27951 1 1175 . 1 . 1 104 104 LYS HB2 H 1 2.074 0.01 . 2 . . . . . 99 LYS HB2 . 27951 1 1176 . 1 . 1 104 104 LYS HB3 H 1 2.029 0.01 . 2 . . . . . 99 LYS HB3 . 27951 1 1177 . 1 . 1 104 104 LYS HG2 H 1 1.713 0.01 . 2 . . . . . 99 LYS HG2 . 27951 1 1178 . 1 . 1 104 104 LYS HG3 H 1 1.581 0.01 . 2 . . . . . 99 LYS HG3 . 27951 1 1179 . 1 . 1 104 104 LYS HD2 H 1 1.724 0.01 . 2 . . . . . 99 LYS HD2 . 27951 1 1180 . 1 . 1 104 104 LYS HD3 H 1 1.724 0.01 . 2 . . . . . 99 LYS HD3 . 27951 1 1181 . 1 . 1 104 104 LYS HE2 H 1 3.025 0.01 . 2 . . . . . 99 LYS HE2 . 27951 1 1182 . 1 . 1 104 104 LYS HE3 H 1 3.025 0.01 . 2 . . . . . 99 LYS HE3 . 27951 1 1183 . 1 . 1 104 104 LYS C C 13 177.559 0.04 . 1 . . . . . 99 LYS C . 27951 1 1184 . 1 . 1 104 104 LYS CA C 13 57.258 0.03 . 1 . . . . . 99 LYS CA . 27951 1 1185 . 1 . 1 104 104 LYS CB C 13 33.458 0.02 . 1 . . . . . 99 LYS CB . 27951 1 1186 . 1 . 1 104 104 LYS CG C 13 25.100 0.07 . 1 . . . . . 99 LYS CG . 27951 1 1187 . 1 . 1 104 104 LYS CD C 13 28.809 0.04 . 1 . . . . . 99 LYS CD . 27951 1 1188 . 1 . 1 104 104 LYS CE C 13 42.324 0.04 . 1 . . . . . 99 LYS CE . 27951 1 1189 . 1 . 1 104 104 LYS N N 15 114.175 0.03 . 1 . . . . . 99 LYS N . 27951 1 1190 . 1 . 1 105 105 VAL H H 1 7.483 0.01 . 1 . . . . . 100 VAL H . 27951 1 1191 . 1 . 1 105 105 VAL HA H 1 4.615 0.01 . 1 . . . . . 100 VAL HA . 27951 1 1192 . 1 . 1 105 105 VAL HB H 1 2.333 0.01 . 1 . . . . . 100 VAL HB . 27951 1 1193 . 1 . 1 105 105 VAL HG11 H 1 0.965 0.01 . 2 . . . . . 100 VAL HG11 . 27951 1 1194 . 1 . 1 105 105 VAL HG12 H 1 0.965 0.01 . 2 . . . . . 100 VAL HG12 . 27951 1 1195 . 1 . 1 105 105 VAL HG13 H 1 0.965 0.01 . 2 . . . . . 100 VAL HG13 . 27951 1 1196 . 1 . 1 105 105 VAL HG21 H 1 1.071 0.01 . 2 . . . . . 100 VAL HG21 . 27951 1 1197 . 1 . 1 105 105 VAL HG22 H 1 1.071 0.01 . 2 . . . . . 100 VAL HG22 . 27951 1 1198 . 1 . 1 105 105 VAL HG23 H 1 1.071 0.01 . 2 . . . . . 100 VAL HG23 . 27951 1 1199 . 1 . 1 105 105 VAL C C 13 177.158 0.03 . 1 . . . . . 100 VAL C . 27951 1 1200 . 1 . 1 105 105 VAL CA C 13 61.886 0.10 . 1 . . . . . 100 VAL CA . 27951 1 1201 . 1 . 1 105 105 VAL CB C 13 33.764 0.06 . 1 . . . . . 100 VAL CB . 27951 1 1202 . 1 . 1 105 105 VAL CG1 C 13 21.311 0.03 . 2 . . . . . 100 VAL CG1 . 27951 1 1203 . 1 . 1 105 105 VAL CG2 C 13 19.673 0.01 . 2 . . . . . 100 VAL CG2 . 27951 1 1204 . 1 . 1 105 105 VAL N N 15 111.534 0.03 . 1 . . . . . 100 VAL N . 27951 1 1205 . 1 . 1 106 106 ILE H H 1 7.448 0.01 . 1 . . . . . 101 ILE H . 27951 1 1206 . 1 . 1 106 106 ILE HA H 1 4.315 0.01 . 1 . . . . . 101 ILE HA . 27951 1 1207 . 1 . 1 106 106 ILE HB H 1 1.928 0.01 . 1 . . . . . 101 ILE HB . 27951 1 1208 . 1 . 1 106 106 ILE HG12 H 1 1.331 0.01 . 2 . . . . . 101 ILE HG12 . 27951 1 1209 . 1 . 1 106 106 ILE HG13 H 1 1.331 0.01 . 2 . . . . . 101 ILE HG13 . 27951 1 1210 . 1 . 1 106 106 ILE HG21 H 1 1.126 0.01 . 2 . . . . . 101 ILE HG21 . 27951 1 1211 . 1 . 1 106 106 ILE HG22 H 1 1.126 0.01 . 2 . . . . . 101 ILE HG22 . 27951 1 1212 . 1 . 1 106 106 ILE HG23 H 1 1.126 0.01 . 2 . . . . . 101 ILE HG23 . 27951 1 1213 . 1 . 1 106 106 ILE HD11 H 1 0.850 0.01 . 2 . . . . . 101 ILE HD11 . 27951 1 1214 . 1 . 1 106 106 ILE HD12 H 1 0.850 0.01 . 2 . . . . . 101 ILE HD12 . 27951 1 1215 . 1 . 1 106 106 ILE HD13 H 1 0.850 0.01 . 2 . . . . . 101 ILE HD13 . 27951 1 1216 . 1 . 1 106 106 ILE C C 13 175.821 0.04 . 1 . . . . . 101 ILE C . 27951 1 1217 . 1 . 1 106 106 ILE CA C 13 61.653 0.06 . 1 . . . . . 101 ILE CA . 27951 1 1218 . 1 . 1 106 106 ILE CB C 13 40.814 0.07 . 1 . . . . . 101 ILE CB . 27951 1 1219 . 1 . 1 106 106 ILE CG1 C 13 24.361 0.02 . 2 . . . . . 101 ILE CG1 . 27951 1 1220 . 1 . 1 106 106 ILE CG2 C 13 18.829 0.01 . 2 . . . . . 101 ILE CG2 . 27951 1 1221 . 1 . 1 106 106 ILE CD1 C 13 15.417 0.04 . 1 . . . . . 101 ILE CD1 . 27951 1 1222 . 1 . 1 106 106 ILE N N 15 115.078 0.04 . 1 . . . . . 101 ILE N . 27951 1 1223 . 1 . 1 107 107 THR H H 1 8.507 0.01 . 1 . . . . . 102 THR H . 27951 1 1224 . 1 . 1 107 107 THR HA H 1 4.136 0.01 . 1 . . . . . 102 THR HA . 27951 1 1225 . 1 . 1 107 107 THR HB H 1 3.879 0.01 . 1 . . . . . 102 THR HB . 27951 1 1226 . 1 . 1 107 107 THR HG21 H 1 1.077 0.01 . 2 . . . . . 102 THR HG21 . 27951 1 1227 . 1 . 1 107 107 THR HG22 H 1 1.077 0.01 . 2 . . . . . 102 THR HG22 . 27951 1 1228 . 1 . 1 107 107 THR HG23 H 1 1.077 0.01 . 2 . . . . . 102 THR HG23 . 27951 1 1229 . 1 . 1 107 107 THR C C 13 173.395 0.04 . 1 . . . . . 102 THR C . 27951 1 1230 . 1 . 1 107 107 THR CA C 13 63.706 0.07 . 1 . . . . . 102 THR CA . 27951 1 1231 . 1 . 1 107 107 THR CB C 13 69.378 0.06 . 1 . . . . . 102 THR CB . 27951 1 1232 . 1 . 1 107 107 THR CG2 C 13 21.909 0.10 . 1 . . . . . 102 THR CG2 . 27951 1 1233 . 1 . 1 107 107 THR N N 15 118.342 0.04 . 1 . . . . . 102 THR N . 27951 1 1234 . 1 . 1 108 108 ILE H H 1 8.508 0.01 . 1 . . . . . 103 ILE H . 27951 1 1235 . 1 . 1 108 108 ILE HA H 1 4.016 0.01 . 1 . . . . . 103 ILE HA . 27951 1 1236 . 1 . 1 108 108 ILE HB H 1 1.851 0.01 . 1 . . . . . 103 ILE HB . 27951 1 1237 . 1 . 1 108 108 ILE HG12 H 1 1.590 0.01 . 2 . . . . . 103 ILE HG12 . 27951 1 1238 . 1 . 1 108 108 ILE HG13 H 1 1.241 0.01 . 2 . . . . . 103 ILE HG13 . 27951 1 1239 . 1 . 1 108 108 ILE HG21 H 1 0.781 0.01 . 2 . . . . . 103 ILE HG21 . 27951 1 1240 . 1 . 1 108 108 ILE HG22 H 1 0.781 0.01 . 2 . . . . . 103 ILE HG22 . 27951 1 1241 . 1 . 1 108 108 ILE HG23 H 1 0.781 0.01 . 2 . . . . . 103 ILE HG23 . 27951 1 1242 . 1 . 1 108 108 ILE HD11 H 1 0.857 0.01 . 2 . . . . . 103 ILE HD11 . 27951 1 1243 . 1 . 1 108 108 ILE HD12 H 1 0.857 0.01 . 2 . . . . . 103 ILE HD12 . 27951 1 1244 . 1 . 1 108 108 ILE HD13 H 1 0.857 0.01 . 2 . . . . . 103 ILE HD13 . 27951 1 1245 . 1 . 1 108 108 ILE C C 13 175.999 0.03 . 1 . . . . . 103 ILE C . 27951 1 1246 . 1 . 1 108 108 ILE CA C 13 60.386 0.04 . 1 . . . . . 103 ILE CA . 27951 1 1247 . 1 . 1 108 108 ILE CB C 13 37.647 0.04 . 1 . . . . . 103 ILE CB . 27951 1 1248 . 1 . 1 108 108 ILE CG1 C 13 27.217 0.08 . 2 . . . . . 103 ILE CG1 . 27951 1 1249 . 1 . 1 108 108 ILE CG2 C 13 17.006 0.04 . 2 . . . . . 103 ILE CG2 . 27951 1 1250 . 1 . 1 108 108 ILE CD1 C 13 12.396 0.02 . 1 . . . . . 103 ILE CD1 . 27951 1 1251 . 1 . 1 108 108 ILE N N 15 129.135 0.04 . 1 . . . . . 103 ILE N . 27951 1 1252 . 1 . 1 109 109 VAL H H 1 8.023 0.01 . 1 . . . . . 104 VAL H . 27951 1 1253 . 1 . 1 109 109 VAL HA H 1 4.065 0.01 . 1 . . . . . 104 VAL HA . 27951 1 1254 . 1 . 1 109 109 VAL HB H 1 2.140 0.01 . 1 . . . . . 104 VAL HB . 27951 1 1255 . 1 . 1 109 109 VAL HG11 H 1 0.978 0.01 . 2 . . . . . 104 VAL HG11 . 27951 1 1256 . 1 . 1 109 109 VAL HG12 H 1 0.978 0.01 . 2 . . . . . 104 VAL HG12 . 27951 1 1257 . 1 . 1 109 109 VAL HG13 H 1 0.978 0.01 . 2 . . . . . 104 VAL HG13 . 27951 1 1258 . 1 . 1 109 109 VAL HG21 H 1 0.760 0.01 . 2 . . . . . 104 VAL HG21 . 27951 1 1259 . 1 . 1 109 109 VAL HG22 H 1 0.760 0.01 . 2 . . . . . 104 VAL HG22 . 27951 1 1260 . 1 . 1 109 109 VAL HG23 H 1 0.760 0.01 . 2 . . . . . 104 VAL HG23 . 27951 1 1261 . 1 . 1 109 109 VAL C C 13 176.864 0.04 . 1 . . . . . 104 VAL C . 27951 1 1262 . 1 . 1 109 109 VAL CA C 13 61.651 0.05 . 1 . . . . . 104 VAL CA . 27951 1 1263 . 1 . 1 109 109 VAL CB C 13 30.352 0.06 . 1 . . . . . 104 VAL CB . 27951 1 1264 . 1 . 1 109 109 VAL CG1 C 13 22.811 0.02 . 2 . . . . . 104 VAL CG1 . 27951 1 1265 . 1 . 1 109 109 VAL CG2 C 13 20.533 0.03 . 2 . . . . . 104 VAL CG2 . 27951 1 1266 . 1 . 1 109 109 VAL N N 15 130.493 0.05 . 1 . . . . . 104 VAL N . 27951 1 1267 . 1 . 1 110 110 ALA H H 1 8.824 0.01 . 1 . . . . . 105 ALA H . 27951 1 1268 . 1 . 1 110 110 ALA HA H 1 3.864 0.01 . 1 . . . . . 105 ALA HA . 27951 1 1269 . 1 . 1 110 110 ALA HB1 H 1 1.388 0.01 . 2 . . . . . 105 ALA HB1 . 27951 1 1270 . 1 . 1 110 110 ALA HB2 H 1 1.388 0.01 . 2 . . . . . 105 ALA HB2 . 27951 1 1271 . 1 . 1 110 110 ALA HB3 H 1 1.388 0.01 . 2 . . . . . 105 ALA HB3 . 27951 1 1272 . 1 . 1 110 110 ALA C C 13 178.193 0.04 . 1 . . . . . 105 ALA C . 27951 1 1273 . 1 . 1 110 110 ALA CA C 13 55.627 0.04 . 1 . . . . . 105 ALA CA . 27951 1 1274 . 1 . 1 110 110 ALA CB C 13 18.400 0.01 . 1 . . . . . 105 ALA CB . 27951 1 1275 . 1 . 1 110 110 ALA N N 15 131.922 0.04 . 1 . . . . . 105 ALA N . 27951 1 1276 . 1 . 1 111 111 ASP H H 1 8.237 0.01 . 1 . . . . . 106 ASP H . 27951 1 1277 . 1 . 1 111 111 ASP HA H 1 4.645 0.01 . 1 . . . . . 106 ASP HA . 27951 1 1278 . 1 . 1 111 111 ASP HB2 H 1 2.859 0.01 . 2 . . . . . 106 ASP HB2 . 27951 1 1279 . 1 . 1 111 111 ASP HB3 H 1 2.718 0.01 . 2 . . . . . 106 ASP HB3 . 27951 1 1280 . 1 . 1 111 111 ASP C C 13 175.535 0.03 . 1 . . . . . 106 ASP C . 27951 1 1281 . 1 . 1 111 111 ASP CA C 13 53.085 0.10 . 1 . . . . . 106 ASP CA . 27951 1 1282 . 1 . 1 111 111 ASP CB C 13 39.895 0.02 . 1 . . . . . 106 ASP CB . 27951 1 1283 . 1 . 1 111 111 ASP N N 15 112.184 0.04 . 1 . . . . . 106 ASP N . 27951 1 1284 . 1 . 1 112 112 ASP H H 1 7.588 0.01 . 1 . . . . . 107 ASP H . 27951 1 1285 . 1 . 1 112 112 ASP HA H 1 5.119 0.01 . 1 . . . . . 107 ASP HA . 27951 1 1286 . 1 . 1 112 112 ASP HB2 H 1 2.878 0.01 . 2 . . . . . 107 ASP HB2 . 27951 1 1287 . 1 . 1 112 112 ASP HB3 H 1 2.427 0.01 . 2 . . . . . 107 ASP HB3 . 27951 1 1288 . 1 . 1 112 112 ASP C C 13 173.419 0.01 . 1 . . . . . 107 ASP C . 27951 1 1289 . 1 . 1 112 112 ASP CA C 13 51.412 0.02 . 1 . . . . . 107 ASP CA . 27951 1 1290 . 1 . 1 112 112 ASP CB C 13 41.270 0.01 . 1 . . . . . 107 ASP CB . 27951 1 1291 . 1 . 1 112 112 ASP N N 15 114.205 0.04 . 1 . . . . . 107 ASP N . 27951 1 1292 . 1 . 1 113 113 PRO HA H 1 4.469 0.01 . 1 . . . . . 108 PRO HA . 27951 1 1293 . 1 . 1 113 113 PRO HB2 H 1 2.403 0.01 . 2 . . . . . 108 PRO HB2 . 27951 1 1294 . 1 . 1 113 113 PRO HB3 H 1 1.842 0.01 . 2 . . . . . 108 PRO HB3 . 27951 1 1295 . 1 . 1 113 113 PRO HG2 H 1 2.041 0.01 . 2 . . . . . 108 PRO HG2 . 27951 1 1296 . 1 . 1 113 113 PRO HG3 H 1 2.017 0.01 . 2 . . . . . 108 PRO HG3 . 27951 1 1297 . 1 . 1 113 113 PRO HD2 H 1 3.931 0.01 . 2 . . . . . 108 PRO HD2 . 27951 1 1298 . 1 . 1 113 113 PRO HD3 H 1 3.569 0.01 . 2 . . . . . 108 PRO HD3 . 27951 1 1299 . 1 . 1 113 113 PRO C C 13 179.801 0.04 . 1 . . . . . 108 PRO C . 27951 1 1300 . 1 . 1 113 113 PRO CA C 13 64.346 0.03 . 1 . . . . . 108 PRO CA . 27951 1 1301 . 1 . 1 113 113 PRO CB C 13 32.473 0.03 . 1 . . . . . 108 PRO CB . 27951 1 1302 . 1 . 1 113 113 PRO CG C 13 27.190 0.04 . 1 . . . . . 108 PRO CG . 27951 1 1303 . 1 . 1 113 113 PRO CD C 13 50.635 0.02 . 1 . . . . . 108 PRO CD . 27951 1 1304 . 1 . 1 114 114 CYS H H 1 7.745 0.01 . 1 . . . . . 109 CYS H . 27951 1 1305 . 1 . 1 114 114 CYS HA H 1 4.003 0.02 . 1 . . . . . 109 CYS HA . 27951 1 1306 . 1 . 1 114 114 CYS HB2 H 1 3.717 0.01 . 2 . . . . . 109 CYS HB2 . 27951 1 1307 . 1 . 1 114 114 CYS HB3 H 1 3.104 0.01 . 2 . . . . . 109 CYS HB3 . 27951 1 1308 . 1 . 1 114 114 CYS C C 13 176.088 0.03 . 1 . . . . . 109 CYS C . 27951 1 1309 . 1 . 1 114 114 CYS CA C 13 61.168 0.05 . 1 . . . . . 109 CYS CA . 27951 1 1310 . 1 . 1 114 114 CYS CB C 13 44.504 0.05 . 1 . . . . . 109 CYS CB . 27951 1 1311 . 1 . 1 114 114 CYS N N 15 115.197 0.04 . 1 . . . . . 109 CYS N . 27951 1 1312 . 1 . 1 115 115 GLN H H 1 7.782 0.01 . 1 . . . . . 110 GLN H . 27951 1 1313 . 1 . 1 115 115 GLN HA H 1 3.789 0.01 . 1 . . . . . 110 GLN HA . 27951 1 1314 . 1 . 1 115 115 GLN HB2 H 1 2.246 0.01 . 2 . . . . . 110 GLN HB2 . 27951 1 1315 . 1 . 1 115 115 GLN HB3 H 1 1.811 0.01 . 2 . . . . . 110 GLN HB3 . 27951 1 1316 . 1 . 1 115 115 GLN HG2 H 1 2.500 0.01 . 2 . . . . . 110 GLN HG2 . 27951 1 1317 . 1 . 1 115 115 GLN HG3 H 1 2.229 0.01 . 2 . . . . . 110 GLN HG3 . 27951 1 1318 . 1 . 1 115 115 GLN HE21 H 1 6.955 0.01 . 2 . . . . . 110 GLN HE21 . 27951 1 1319 . 1 . 1 115 115 GLN HE22 H 1 7.530 0.01 . 2 . . . . . 110 GLN HE22 . 27951 1 1320 . 1 . 1 115 115 GLN C C 13 177.787 0.04 . 1 . . . . . 110 GLN C . 27951 1 1321 . 1 . 1 115 115 GLN CA C 13 58.107 0.05 . 1 . . . . . 110 GLN CA . 27951 1 1322 . 1 . 1 115 115 GLN CB C 13 28.986 0.03 . 1 . . . . . 110 GLN CB . 27951 1 1323 . 1 . 1 115 115 GLN CG C 13 34.308 0.01 . 1 . . . . . 110 GLN CG . 27951 1 1324 . 1 . 1 115 115 GLN N N 15 121.491 0.12 . 1 . . . . . 110 GLN N . 27951 1 1325 . 1 . 1 115 115 GLN NE2 N 15 114.306 0.03 . 1 . . . . . 110 GLN NE2 . 27951 1 1326 . 1 . 1 116 116 THR H H 1 7.868 0.01 . 1 . . . . . 111 THR H . 27951 1 1327 . 1 . 1 116 116 THR HA H 1 3.855 0.01 . 1 . . . . . 111 THR HA . 27951 1 1328 . 1 . 1 116 116 THR HB H 1 4.184 0.01 . 1 . . . . . 111 THR HB . 27951 1 1329 . 1 . 1 116 116 THR HG21 H 1 1.337 0.01 . 2 . . . . . 111 THR HG21 . 27951 1 1330 . 1 . 1 116 116 THR HG22 H 1 1.337 0.01 . 2 . . . . . 111 THR HG22 . 27951 1 1331 . 1 . 1 116 116 THR HG23 H 1 1.337 0.01 . 2 . . . . . 111 THR HG23 . 27951 1 1332 . 1 . 1 116 116 THR C C 13 175.145 0.10 . 1 . . . . . 111 THR C . 27951 1 1333 . 1 . 1 116 116 THR CA C 13 67.896 0.19 . 1 . . . . . 111 THR CA . 27951 1 1334 . 1 . 1 116 116 THR CB C 13 68.731 0.09 . 1 . . . . . 111 THR CB . 27951 1 1335 . 1 . 1 116 116 THR CG2 C 13 23.169 0.05 . 1 . . . . . 111 THR CG2 . 27951 1 1336 . 1 . 1 116 116 THR N N 15 115.912 0.06 . 1 . . . . . 111 THR N . 27951 1 1337 . 1 . 1 117 117 MET H H 1 7.839 0.01 . 1 . . . . . 112 MET H . 27951 1 1338 . 1 . 1 117 117 MET HA H 1 4.550 0.01 . 1 . . . . . 112 MET HA . 27951 1 1339 . 1 . 1 117 117 MET HB2 H 1 2.115 0.02 . 2 . . . . . 112 MET HB2 . 27951 1 1340 . 1 . 1 117 117 MET HB3 H 1 1.969 0.01 . 2 . . . . . 112 MET HB3 . 27951 1 1341 . 1 . 1 117 117 MET HG2 H 1 2.875 0.01 . 2 . . . . . 112 MET HG2 . 27951 1 1342 . 1 . 1 117 117 MET HG3 H 1 2.875 0.01 . 2 . . . . . 112 MET HG3 . 27951 1 1343 . 1 . 1 117 117 MET C C 13 177.850 0.03 . 1 . . . . . 112 MET C . 27951 1 1344 . 1 . 1 117 117 MET CA C 13 56.917 0.05 . 1 . . . . . 112 MET CA . 27951 1 1345 . 1 . 1 117 117 MET CB C 13 32.500 0.03 . 1 . . . . . 112 MET CB . 27951 1 1346 . 1 . 1 117 117 MET CG C 13 33.508 0.02 . 1 . . . . . 112 MET CG . 27951 1 1347 . 1 . 1 117 117 MET N N 15 118.923 0.14 . 1 . . . . . 112 MET N . 27951 1 1348 . 1 . 1 118 118 LEU H H 1 8.053 0.01 . 1 . . . . . 113 LEU H . 27951 1 1349 . 1 . 1 118 118 LEU HA H 1 3.793 0.01 . 1 . . . . . 113 LEU HA . 27951 1 1350 . 1 . 1 118 118 LEU HB2 H 1 1.999 0.01 . 2 . . . . . 113 LEU HB2 . 27951 1 1351 . 1 . 1 118 118 LEU HB3 H 1 1.227 0.01 . 2 . . . . . 113 LEU HB3 . 27951 1 1352 . 1 . 1 118 118 LEU HG H 1 1.605 0.01 . 1 . . . . . 113 LEU HG . 27951 1 1353 . 1 . 1 118 118 LEU HD11 H 1 0.704 0.01 . 2 . . . . . 113 LEU HD11 . 27951 1 1354 . 1 . 1 118 118 LEU HD12 H 1 0.704 0.01 . 2 . . . . . 113 LEU HD12 . 27951 1 1355 . 1 . 1 118 118 LEU HD13 H 1 0.704 0.01 . 2 . . . . . 113 LEU HD13 . 27951 1 1356 . 1 . 1 118 118 LEU HD21 H 1 0.667 0.01 . 2 . . . . . 113 LEU HD21 . 27951 1 1357 . 1 . 1 118 118 LEU HD22 H 1 0.667 0.01 . 2 . . . . . 113 LEU HD22 . 27951 1 1358 . 1 . 1 118 118 LEU HD23 H 1 0.667 0.01 . 2 . . . . . 113 LEU HD23 . 27951 1 1359 . 1 . 1 118 118 LEU C C 13 177.996 0.02 . 1 . . . . . 113 LEU C . 27951 1 1360 . 1 . 1 118 118 LEU CA C 13 58.214 0.03 . 1 . . . . . 113 LEU CA . 27951 1 1361 . 1 . 1 118 118 LEU CB C 13 41.761 0.07 . 1 . . . . . 113 LEU CB . 27951 1 1362 . 1 . 1 118 118 LEU CG C 13 26.774 0.13 . 1 . . . . . 113 LEU CG . 27951 1 1363 . 1 . 1 118 118 LEU CD1 C 13 25.536 0.14 . 2 . . . . . 113 LEU CD1 . 27951 1 1364 . 1 . 1 118 118 LEU CD2 C 13 24.039 0.03 . 2 . . . . . 113 LEU CD2 . 27951 1 1365 . 1 . 1 118 118 LEU N N 15 122.012 0.06 . 1 . . . . . 113 LEU N . 27951 1 1366 . 1 . 1 119 119 ASN H H 1 8.584 0.01 . 1 . . . . . 114 ASN H . 27951 1 1367 . 1 . 1 119 119 ASN HA H 1 4.430 0.01 . 1 . . . . . 114 ASN HA . 27951 1 1368 . 1 . 1 119 119 ASN HB2 H 1 3.379 0.01 . 2 . . . . . 114 ASN HB2 . 27951 1 1369 . 1 . 1 119 119 ASN HB3 H 1 2.916 0.01 . 2 . . . . . 114 ASN HB3 . 27951 1 1370 . 1 . 1 119 119 ASN HD21 H 1 7.207 0.01 . 2 . . . . . 114 ASN HD21 . 27951 1 1371 . 1 . 1 119 119 ASN HD22 H 1 7.964 0.01 . 2 . . . . . 114 ASN HD22 . 27951 1 1372 . 1 . 1 119 119 ASN C C 13 179.311 0.04 . 1 . . . . . 114 ASN C . 27951 1 1373 . 1 . 1 119 119 ASN CA C 13 56.013 0.02 . 1 . . . . . 114 ASN CA . 27951 1 1374 . 1 . 1 119 119 ASN CB C 13 37.189 0.04 . 1 . . . . . 114 ASN CB . 27951 1 1375 . 1 . 1 119 119 ASN N N 15 119.148 0.15 . 1 . . . . . 114 ASN N . 27951 1 1376 . 1 . 1 119 119 ASN ND2 N 15 109.103 0.03 . 1 . . . . . 114 ASN ND2 . 27951 1 1377 . 1 . 1 120 120 LEU H H 1 8.552 0.01 . 1 . . . . . 115 LEU H . 27951 1 1378 . 1 . 1 120 120 LEU HA H 1 4.151 0.01 . 1 . . . . . 115 LEU HA . 27951 1 1379 . 1 . 1 120 120 LEU HB2 H 1 2.349 0.01 . 2 . . . . . 115 LEU HB2 . 27951 1 1380 . 1 . 1 120 120 LEU HB3 H 1 1.632 0.01 . 2 . . . . . 115 LEU HB3 . 27951 1 1381 . 1 . 1 120 120 LEU HG H 1 1.522 0.01 . 1 . . . . . 115 LEU HG . 27951 1 1382 . 1 . 1 120 120 LEU HD11 H 1 1.002 0.01 . 2 . . . . . 115 LEU HD11 . 27951 1 1383 . 1 . 1 120 120 LEU HD12 H 1 1.002 0.01 . 2 . . . . . 115 LEU HD12 . 27951 1 1384 . 1 . 1 120 120 LEU HD13 H 1 1.002 0.01 . 2 . . . . . 115 LEU HD13 . 27951 1 1385 . 1 . 1 120 120 LEU HD21 H 1 1.072 0.01 . 2 . . . . . 115 LEU HD21 . 27951 1 1386 . 1 . 1 120 120 LEU HD22 H 1 1.072 0.01 . 2 . . . . . 115 LEU HD22 . 27951 1 1387 . 1 . 1 120 120 LEU HD23 H 1 1.072 0.01 . 2 . . . . . 115 LEU HD23 . 27951 1 1388 . 1 . 1 120 120 LEU C C 13 178.039 0.04 . 1 . . . . . 115 LEU C . 27951 1 1389 . 1 . 1 120 120 LEU CA C 13 59.151 0.03 . 1 . . . . . 115 LEU CA . 27951 1 1390 . 1 . 1 120 120 LEU CB C 13 41.152 0.03 . 1 . . . . . 115 LEU CB . 27951 1 1391 . 1 . 1 120 120 LEU CG C 13 28.103 0.02 . 1 . . . . . 115 LEU CG . 27951 1 1392 . 1 . 1 120 120 LEU CD1 C 13 25.935 0.07 . 2 . . . . . 115 LEU CD1 . 27951 1 1393 . 1 . 1 120 120 LEU CD2 C 13 24.923 0.03 . 2 . . . . . 115 LEU CD2 . 27951 1 1394 . 1 . 1 120 120 LEU N N 15 124.044 0.04 . 1 . . . . . 115 LEU N . 27951 1 1395 . 1 . 1 121 121 ALA H H 1 9.106 0.01 . 1 . . . . . 116 ALA H . 27951 1 1396 . 1 . 1 121 121 ALA HA H 1 4.077 0.01 . 1 . . . . . 116 ALA HA . 27951 1 1397 . 1 . 1 121 121 ALA HB1 H 1 1.256 0.01 . 2 . . . . . 116 ALA HB1 . 27951 1 1398 . 1 . 1 121 121 ALA HB2 H 1 1.256 0.01 . 2 . . . . . 116 ALA HB2 . 27951 1 1399 . 1 . 1 121 121 ALA HB3 H 1 1.256 0.01 . 2 . . . . . 116 ALA HB3 . 27951 1 1400 . 1 . 1 121 121 ALA C C 13 179.309 0.04 . 1 . . . . . 116 ALA C . 27951 1 1401 . 1 . 1 121 121 ALA CA C 13 55.945 0.07 . 1 . . . . . 116 ALA CA . 27951 1 1402 . 1 . 1 121 121 ALA CB C 13 18.013 0.03 . 1 . . . . . 116 ALA CB . 27951 1 1403 . 1 . 1 121 121 ALA N N 15 122.862 0.05 . 1 . . . . . 116 ALA N . 27951 1 1404 . 1 . 1 122 122 MET H H 1 8.995 0.01 . 1 . . . . . 117 MET H . 27951 1 1405 . 1 . 1 122 122 MET HA H 1 4.212 0.01 . 1 . . . . . 117 MET HA . 27951 1 1406 . 1 . 1 122 122 MET HB2 H 1 2.946 0.01 . 2 . . . . . 117 MET HB2 . 27951 1 1407 . 1 . 1 122 122 MET HB3 H 1 2.684 0.01 . 2 . . . . . 117 MET HB3 . 27951 1 1408 . 1 . 1 122 122 MET HG2 H 1 2.374 0.01 . 2 . . . . . 117 MET HG2 . 27951 1 1409 . 1 . 1 122 122 MET HG3 H 1 2.184 0.01 . 2 . . . . . 117 MET HG3 . 27951 1 1410 . 1 . 1 122 122 MET C C 13 178.772 0.03 . 1 . . . . . 117 MET C . 27951 1 1411 . 1 . 1 122 122 MET CA C 13 59.730 0.04 . 1 . . . . . 117 MET CA . 27951 1 1412 . 1 . 1 122 122 MET CB C 13 33.003 0.06 . 1 . . . . . 117 MET CB . 27951 1 1413 . 1 . 1 122 122 MET CG C 13 32.998 0.03 . 1 . . . . . 117 MET CG . 27951 1 1414 . 1 . 1 122 122 MET N N 15 117.316 0.05 . 1 . . . . . 117 MET N . 27951 1 1415 . 1 . 1 123 123 CYS H H 1 7.763 0.01 . 1 . . . . . 118 CYS H . 27951 1 1416 . 1 . 1 123 123 CYS HA H 1 4.414 0.01 . 1 . . . . . 118 CYS HA . 27951 1 1417 . 1 . 1 123 123 CYS HB2 H 1 3.323 0.01 . 2 . . . . . 118 CYS HB2 . 27951 1 1418 . 1 . 1 123 123 CYS HB3 H 1 3.250 0.01 . 2 . . . . . 118 CYS HB3 . 27951 1 1419 . 1 . 1 123 123 CYS C C 13 175.008 0.04 . 1 . . . . . 118 CYS C . 27951 1 1420 . 1 . 1 123 123 CYS CA C 13 60.175 0.06 . 1 . . . . . 118 CYS CA . 27951 1 1421 . 1 . 1 123 123 CYS CB C 13 38.651 0.01 . 1 . . . . . 118 CYS CB . 27951 1 1422 . 1 . 1 123 123 CYS N N 15 121.433 0.05 . 1 . . . . . 118 CYS N . 27951 1 1423 . 1 . 1 124 124 PHE H H 1 9.005 0.01 . 1 . . . . . 119 PHE H . 27951 1 1424 . 1 . 1 124 124 PHE HA H 1 4.055 0.01 . 1 . . . . . 119 PHE HA . 27951 1 1425 . 1 . 1 124 124 PHE HB2 H 1 3.423 0.01 . 2 . . . . . 119 PHE HB2 . 27951 1 1426 . 1 . 1 124 124 PHE HB3 H 1 3.054 0.01 . 2 . . . . . 119 PHE HB3 . 27951 1 1427 . 1 . 1 124 124 PHE HD1 H 1 7.148 0.01 . 3 . . . . . 119 PHE HD1 . 27951 1 1428 . 1 . 1 124 124 PHE HD2 H 1 7.148 0.01 . 3 . . . . . 119 PHE HD2 . 27951 1 1429 . 1 . 1 124 124 PHE HE1 H 1 7.361 0.01 . 3 . . . . . 119 PHE HE1 . 27951 1 1430 . 1 . 1 124 124 PHE HE2 H 1 7.361 0.01 . 3 . . . . . 119 PHE HE2 . 27951 1 1431 . 1 . 1 124 124 PHE HZ H 1 7.237 0.01 . 1 . . . . . 119 PHE HZ . 27951 1 1432 . 1 . 1 124 124 PHE C C 13 176.283 0.04 . 1 . . . . . 119 PHE C . 27951 1 1433 . 1 . 1 124 124 PHE CA C 13 61.650 0.08 . 1 . . . . . 119 PHE CA . 27951 1 1434 . 1 . 1 124 124 PHE CB C 13 40.884 0.04 . 1 . . . . . 119 PHE CB . 27951 1 1435 . 1 . 1 124 124 PHE CD1 C 13 131.372 0.03 . 3 . . . . . 119 PHE CD1 . 27951 1 1436 . 1 . 1 124 124 PHE CD2 C 13 131.372 0.03 . 3 . . . . . 119 PHE CD2 . 27951 1 1437 . 1 . 1 124 124 PHE CE1 C 13 131.989 0.03 . 3 . . . . . 119 PHE CE1 . 27951 1 1438 . 1 . 1 124 124 PHE CE2 C 13 131.989 0.03 . 3 . . . . . 119 PHE CE2 . 27951 1 1439 . 1 . 1 124 124 PHE CZ C 13 130.098 0.03 . 1 . . . . . 119 PHE CZ . 27951 1 1440 . 1 . 1 124 124 PHE N N 15 122.588 0.06 . 1 . . . . . 119 PHE N . 27951 1 1441 . 1 . 1 125 125 LYS H H 1 8.960 0.01 . 1 . . . . . 120 LYS H . 27951 1 1442 . 1 . 1 125 125 LYS HA H 1 3.883 0.01 . 1 . . . . . 120 LYS HA . 27951 1 1443 . 1 . 1 125 125 LYS HB2 H 1 2.032 0.01 . 2 . . . . . 120 LYS HB2 . 27951 1 1444 . 1 . 1 125 125 LYS HB3 H 1 1.945 0.01 . 2 . . . . . 120 LYS HB3 . 27951 1 1445 . 1 . 1 125 125 LYS HG2 H 1 1.505 0.01 . 2 . . . . . 120 LYS HG2 . 27951 1 1446 . 1 . 1 125 125 LYS HG3 H 1 1.277 0.01 . 2 . . . . . 120 LYS HG3 . 27951 1 1447 . 1 . 1 125 125 LYS HD2 H 1 1.234 0.01 . 2 . . . . . 120 LYS HD2 . 27951 1 1448 . 1 . 1 125 125 LYS HD3 H 1 1.091 0.01 . 2 . . . . . 120 LYS HD3 . 27951 1 1449 . 1 . 1 125 125 LYS HE2 H 1 2.577 0.01 . 2 . . . . . 120 LYS HE2 . 27951 1 1450 . 1 . 1 125 125 LYS HE3 H 1 2.527 0.01 . 2 . . . . . 120 LYS HE3 . 27951 1 1451 . 1 . 1 125 125 LYS C C 13 178.120 0.03 . 1 . . . . . 120 LYS C . 27951 1 1452 . 1 . 1 125 125 LYS CA C 13 60.392 0.05 . 1 . . . . . 120 LYS CA . 27951 1 1453 . 1 . 1 125 125 LYS CB C 13 33.252 0.02 . 1 . . . . . 120 LYS CB . 27951 1 1454 . 1 . 1 125 125 LYS CG C 13 25.274 0.06 . 1 . . . . . 120 LYS CG . 27951 1 1455 . 1 . 1 125 125 LYS CD C 13 29.837 0.07 . 1 . . . . . 120 LYS CD . 27951 1 1456 . 1 . 1 125 125 LYS CE C 13 41.964 0.01 . 1 . . . . . 120 LYS CE . 27951 1 1457 . 1 . 1 125 125 LYS N N 15 117.745 0.04 . 1 . . . . . 120 LYS N . 27951 1 1458 . 1 . 1 126 126 ALA H H 1 7.860 0.01 . 1 . . . . . 121 ALA H . 27951 1 1459 . 1 . 1 126 126 ALA HA H 1 4.113 0.01 . 1 . . . . . 121 ALA HA . 27951 1 1460 . 1 . 1 126 126 ALA HB1 H 1 1.564 0.01 . 2 . . . . . 121 ALA HB1 . 27951 1 1461 . 1 . 1 126 126 ALA HB2 H 1 1.564 0.01 . 2 . . . . . 121 ALA HB2 . 27951 1 1462 . 1 . 1 126 126 ALA HB3 H 1 1.564 0.01 . 2 . . . . . 121 ALA HB3 . 27951 1 1463 . 1 . 1 126 126 ALA C C 13 181.434 0.04 . 1 . . . . . 121 ALA C . 27951 1 1464 . 1 . 1 126 126 ALA CA C 13 55.267 0.02 . 1 . . . . . 121 ALA CA . 27951 1 1465 . 1 . 1 126 126 ALA CB C 13 18.325 0.04 . 1 . . . . . 121 ALA CB . 27951 1 1466 . 1 . 1 126 126 ALA N N 15 120.614 0.05 . 1 . . . . . 121 ALA N . 27951 1 1467 . 1 . 1 127 127 GLU H H 1 8.480 0.01 . 1 . . . . . 122 GLU H . 27951 1 1468 . 1 . 1 127 127 GLU HA H 1 4.042 0.01 . 1 . . . . . 122 GLU HA . 27951 1 1469 . 1 . 1 127 127 GLU HB2 H 1 2.053 0.01 . 2 . . . . . 122 GLU HB2 . 27951 1 1470 . 1 . 1 127 127 GLU HB3 H 1 1.966 0.01 . 2 . . . . . 122 GLU HB3 . 27951 1 1471 . 1 . 1 127 127 GLU HG2 H 1 2.631 0.01 . 2 . . . . . 122 GLU HG2 . 27951 1 1472 . 1 . 1 127 127 GLU HG3 H 1 2.456 0.01 . 2 . . . . . 122 GLU HG3 . 27951 1 1473 . 1 . 1 127 127 GLU C C 13 181.133 0.03 . 1 . . . . . 122 GLU C . 27951 1 1474 . 1 . 1 127 127 GLU CA C 13 58.794 0.06 . 1 . . . . . 122 GLU CA . 27951 1 1475 . 1 . 1 127 127 GLU CB C 13 30.132 0.18 . 1 . . . . . 122 GLU CB . 27951 1 1476 . 1 . 1 127 127 GLU CG C 13 35.410 0.04 . 1 . . . . . 122 GLU CG . 27951 1 1477 . 1 . 1 127 127 GLU N N 15 116.884 0.05 . 1 . . . . . 122 GLU N . 27951 1 1478 . 1 . 1 128 128 ILE H H 1 8.346 0.01 . 1 . . . . . 123 ILE H . 27951 1 1479 . 1 . 1 128 128 ILE HA H 1 3.700 0.01 . 1 . . . . . 123 ILE HA . 27951 1 1480 . 1 . 1 128 128 ILE HB H 1 1.633 0.01 . 1 . . . . . 123 ILE HB . 27951 1 1481 . 1 . 1 128 128 ILE HG12 H 1 1.127 0.01 . 2 . . . . . 123 ILE HG12 . 27951 1 1482 . 1 . 1 128 128 ILE HG13 H 1 1.107 0.01 . 2 . . . . . 123 ILE HG13 . 27951 1 1483 . 1 . 1 128 128 ILE HG21 H 1 0.360 0.01 . 2 . . . . . 123 ILE HG21 . 27951 1 1484 . 1 . 1 128 128 ILE HG22 H 1 0.360 0.01 . 2 . . . . . 123 ILE HG22 . 27951 1 1485 . 1 . 1 128 128 ILE HG23 H 1 0.360 0.01 . 2 . . . . . 123 ILE HG23 . 27951 1 1486 . 1 . 1 128 128 ILE HD11 H 1 0.273 0.01 . 2 . . . . . 123 ILE HD11 . 27951 1 1487 . 1 . 1 128 128 ILE HD12 H 1 0.273 0.01 . 2 . . . . . 123 ILE HD12 . 27951 1 1488 . 1 . 1 128 128 ILE HD13 H 1 0.273 0.01 . 2 . . . . . 123 ILE HD13 . 27951 1 1489 . 1 . 1 128 128 ILE C C 13 178.047 0.04 . 1 . . . . . 123 ILE C . 27951 1 1490 . 1 . 1 128 128 ILE CA C 13 64.917 0.02 . 1 . . . . . 123 ILE CA . 27951 1 1491 . 1 . 1 128 128 ILE CB C 13 37.377 0.03 . 1 . . . . . 123 ILE CB . 27951 1 1492 . 1 . 1 128 128 ILE CG1 C 13 26.989 0.03 . 2 . . . . . 123 ILE CG1 . 27951 1 1493 . 1 . 1 128 128 ILE CG2 C 13 17.136 0.05 . 2 . . . . . 123 ILE CG2 . 27951 1 1494 . 1 . 1 128 128 ILE CD1 C 13 13.424 0.10 . 1 . . . . . 123 ILE CD1 . 27951 1 1495 . 1 . 1 128 128 ILE N N 15 117.182 0.05 . 1 . . . . . 123 ILE N . 27951 1 1496 . 1 . 1 129 129 HIS H H 1 7.331 0.01 . 1 . . . . . 124 HIS H . 27951 1 1497 . 1 . 1 129 129 HIS HA H 1 4.393 0.01 . 1 . . . . . 124 HIS HA . 27951 1 1498 . 1 . 1 129 129 HIS HB2 H 1 3.431 0.01 . 2 . . . . . 124 HIS HB2 . 27951 1 1499 . 1 . 1 129 129 HIS HB3 H 1 3.258 0.01 . 2 . . . . . 124 HIS HB3 . 27951 1 1500 . 1 . 1 129 129 HIS HD2 H 1 7.402 0.01 . 1 . . . . . 124 HIS HD2 . 27951 1 1501 . 1 . 1 129 129 HIS HE1 H 1 8.583 0.01 . 1 . . . . . 124 HIS HE1 . 27951 1 1502 . 1 . 1 129 129 HIS C C 13 174.716 0.04 . 1 . . . . . 124 HIS C . 27951 1 1503 . 1 . 1 129 129 HIS CA C 13 57.787 0.03 . 1 . . . . . 124 HIS CA . 27951 1 1504 . 1 . 1 129 129 HIS CB C 13 28.421 0.02 . 1 . . . . . 124 HIS CB . 27951 1 1505 . 1 . 1 129 129 HIS CD2 C 13 120.243 0.03 . 1 . . . . . 124 HIS CD2 . 27951 1 1506 . 1 . 1 129 129 HIS CE1 C 13 136.322 0.03 . 1 . . . . . 124 HIS CE1 . 27951 1 1507 . 1 . 1 129 129 HIS N N 15 117.050 0.05 . 1 . . . . . 124 HIS N . 27951 1 1508 . 1 . 1 129 129 HIS ND1 N 15 176.767 0.03 . 1 . . . . . 124 HIS ND1 . 27951 1 1509 . 1 . 1 129 129 HIS NE2 N 15 175.808 0.03 . 1 . . . . . 124 HIS NE2 . 27951 1 1510 . 1 . 1 130 130 LYS H H 1 7.208 0.01 . 1 . . . . . 125 LYS H . 27951 1 1511 . 1 . 1 130 130 LYS HA H 1 4.278 0.01 . 1 . . . . . 125 LYS HA . 27951 1 1512 . 1 . 1 130 130 LYS HB2 H 1 2.039 0.01 . 2 . . . . . 125 LYS HB2 . 27951 1 1513 . 1 . 1 130 130 LYS HB3 H 1 1.796 0.01 . 2 . . . . . 125 LYS HB3 . 27951 1 1514 . 1 . 1 130 130 LYS HG2 H 1 1.601 0.01 . 2 . . . . . 125 LYS HG2 . 27951 1 1515 . 1 . 1 130 130 LYS HG3 H 1 1.418 0.01 . 2 . . . . . 125 LYS HG3 . 27951 1 1516 . 1 . 1 130 130 LYS HD2 H 1 1.646 0.01 . 2 . . . . . 125 LYS HD2 . 27951 1 1517 . 1 . 1 130 130 LYS HD3 H 1 1.484 0.02 . 2 . . . . . 125 LYS HD3 . 27951 1 1518 . 1 . 1 130 130 LYS HE2 H 1 2.861 0.01 . 2 . . . . . 125 LYS HE2 . 27951 1 1519 . 1 . 1 130 130 LYS HE3 H 1 2.861 0.01 . 2 . . . . . 125 LYS HE3 . 27951 1 1520 . 1 . 1 130 130 LYS C C 13 176.672 0.03 . 1 . . . . . 125 LYS C . 27951 1 1521 . 1 . 1 130 130 LYS CA C 13 56.854 0.14 . 1 . . . . . 125 LYS CA . 27951 1 1522 . 1 . 1 130 130 LYS CB C 13 33.157 0.04 . 1 . . . . . 125 LYS CB . 27951 1 1523 . 1 . 1 130 130 LYS CG C 13 25.184 0.15 . 1 . . . . . 125 LYS CG . 27951 1 1524 . 1 . 1 130 130 LYS CD C 13 29.788 0.12 . 1 . . . . . 125 LYS CD . 27951 1 1525 . 1 . 1 130 130 LYS CE C 13 42.349 0.03 . 1 . . . . . 125 LYS CE . 27951 1 1526 . 1 . 1 130 130 LYS N N 15 116.638 0.05 . 1 . . . . . 125 LYS N . 27951 1 1527 . 1 . 1 131 131 LEU H H 1 6.936 0.01 . 1 . . . . . 126 LEU H . 27951 1 1528 . 1 . 1 131 131 LEU HA H 1 4.268 0.01 . 1 . . . . . 126 LEU HA . 27951 1 1529 . 1 . 1 131 131 LEU HB2 H 1 1.606 0.01 . 2 . . . . . 126 LEU HB2 . 27951 1 1530 . 1 . 1 131 131 LEU HB3 H 1 0.921 0.01 . 2 . . . . . 126 LEU HB3 . 27951 1 1531 . 1 . 1 131 131 LEU HG H 1 1.636 0.01 . 1 . . . . . 126 LEU HG . 27951 1 1532 . 1 . 1 131 131 LEU HD11 H 1 0.334 0.01 . 2 . . . . . 126 LEU HD11 . 27951 1 1533 . 1 . 1 131 131 LEU HD12 H 1 0.334 0.01 . 2 . . . . . 126 LEU HD12 . 27951 1 1534 . 1 . 1 131 131 LEU HD13 H 1 0.334 0.01 . 2 . . . . . 126 LEU HD13 . 27951 1 1535 . 1 . 1 131 131 LEU HD21 H 1 0.775 0.01 . 2 . . . . . 126 LEU HD21 . 27951 1 1536 . 1 . 1 131 131 LEU HD22 H 1 0.775 0.01 . 2 . . . . . 126 LEU HD22 . 27951 1 1537 . 1 . 1 131 131 LEU HD23 H 1 0.775 0.01 . 2 . . . . . 126 LEU HD23 . 27951 1 1538 . 1 . 1 131 131 LEU C C 13 177.117 0.04 . 1 . . . . . 126 LEU C . 27951 1 1539 . 1 . 1 131 131 LEU CA C 13 54.631 0.05 . 1 . . . . . 126 LEU CA . 27951 1 1540 . 1 . 1 131 131 LEU CB C 13 42.983 0.04 . 1 . . . . . 126 LEU CB . 27951 1 1541 . 1 . 1 131 131 LEU CG C 13 26.199 0.09 . 1 . . . . . 126 LEU CG . 27951 1 1542 . 1 . 1 131 131 LEU CD1 C 13 25.043 0.03 . 2 . . . . . 126 LEU CD1 . 27951 1 1543 . 1 . 1 131 131 LEU CD2 C 13 22.317 0.02 . 2 . . . . . 126 LEU CD2 . 27951 1 1544 . 1 . 1 131 131 LEU N N 15 118.671 0.04 . 1 . . . . . 126 LEU N . 27951 1 1545 . 1 . 1 132 132 ASP H H 1 8.662 0.01 . 1 . . . . . 127 ASP H . 27951 1 1546 . 1 . 1 132 132 ASP HA H 1 4.512 0.01 . 1 . . . . . 127 ASP HA . 27951 1 1547 . 1 . 1 132 132 ASP HB2 H 1 2.832 0.01 . 2 . . . . . 127 ASP HB2 . 27951 1 1548 . 1 . 1 132 132 ASP HB3 H 1 2.772 0.01 . 2 . . . . . 127 ASP HB3 . 27951 1 1549 . 1 . 1 132 132 ASP C C 13 175.008 0.04 . 1 . . . . . 127 ASP C . 27951 1 1550 . 1 . 1 132 132 ASP CA C 13 54.733 0.09 . 1 . . . . . 127 ASP CA . 27951 1 1551 . 1 . 1 132 132 ASP CB C 13 39.765 0.02 . 1 . . . . . 127 ASP CB . 27951 1 1552 . 1 . 1 132 132 ASP N N 15 119.786 0.05 . 1 . . . . . 127 ASP N . 27951 1 1553 . 1 . 1 133 133 TRP H H 1 7.289 0.01 . 1 . . . . . 128 TRP H . 27951 1 1554 . 1 . 1 133 133 TRP HA H 1 4.732 0.01 . 1 . . . . . 128 TRP HA . 27951 1 1555 . 1 . 1 133 133 TRP HB2 H 1 3.350 0.01 . 2 . . . . . 128 TRP HB2 . 27951 1 1556 . 1 . 1 133 133 TRP HB3 H 1 3.149 0.01 . 2 . . . . . 128 TRP HB3 . 27951 1 1557 . 1 . 1 133 133 TRP HD1 H 1 7.381 0.01 . 1 . . . . . 128 TRP HD1 . 27951 1 1558 . 1 . 1 133 133 TRP HE1 H 1 10.334 0.01 . 1 . . . . . 128 TRP HE1 . 27951 1 1559 . 1 . 1 133 133 TRP HE3 H 1 7.413 0.01 . 1 . . . . . 128 TRP HE3 . 27951 1 1560 . 1 . 1 133 133 TRP HZ2 H 1 7.434 0.01 . 1 . . . . . 128 TRP HZ2 . 27951 1 1561 . 1 . 1 133 133 TRP HZ3 H 1 7.013 0.01 . 1 . . . . . 128 TRP HZ3 . 27951 1 1562 . 1 . 1 133 133 TRP HH2 H 1 6.992 0.01 . 1 . . . . . 128 TRP HH2 . 27951 1 1563 . 1 . 1 133 133 TRP C C 13 173.612 0.04 . 1 . . . . . 128 TRP C . 27951 1 1564 . 1 . 1 133 133 TRP CA C 13 54.586 0.04 . 1 . . . . . 128 TRP CA . 27951 1 1565 . 1 . 1 133 133 TRP CB C 13 29.518 0.04 . 1 . . . . . 128 TRP CB . 27951 1 1566 . 1 . 1 133 133 TRP CD1 C 13 127.755 0.03 . 1 . . . . . 128 TRP CD1 . 27951 1 1567 . 1 . 1 133 133 TRP CE3 C 13 121.145 0.03 . 1 . . . . . 128 TRP CE3 . 27951 1 1568 . 1 . 1 133 133 TRP CZ2 C 13 114.769 0.03 . 1 . . . . . 128 TRP CZ2 . 27951 1 1569 . 1 . 1 133 133 TRP CZ3 C 13 121.570 0.03 . 1 . . . . . 128 TRP CZ3 . 27951 1 1570 . 1 . 1 133 133 TRP CH2 C 13 123.757 0.03 . 1 . . . . . 128 TRP CH2 . 27951 1 1571 . 1 . 1 133 133 TRP N N 15 117.301 0.04 . 1 . . . . . 128 TRP N . 27951 1 1572 . 1 . 1 133 133 TRP NE1 N 15 130.672 0.03 . 1 . . . . . 128 TRP NE1 . 27951 1 1573 . 1 . 1 134 134 ALA H H 1 8.176 0.01 . 1 . . . . . 129 ALA H . 27951 1 1574 . 1 . 1 134 134 ALA HA H 1 4.579 0.01 . 1 . . . . . 129 ALA HA . 27951 1 1575 . 1 . 1 134 134 ALA HB1 H 1 1.215 0.01 . 2 . . . . . 129 ALA HB1 . 27951 1 1576 . 1 . 1 134 134 ALA HB2 H 1 1.215 0.01 . 2 . . . . . 129 ALA HB2 . 27951 1 1577 . 1 . 1 134 134 ALA HB3 H 1 1.215 0.01 . 2 . . . . . 129 ALA HB3 . 27951 1 1578 . 1 . 1 134 134 ALA C C 13 174.469 0.04 . 1 . . . . . 129 ALA C . 27951 1 1579 . 1 . 1 134 134 ALA CA C 13 49.450 0.03 . 1 . . . . . 129 ALA CA . 27951 1 1580 . 1 . 1 134 134 ALA CB C 13 19.276 0.04 . 1 . . . . . 129 ALA CB . 27951 1 1581 . 1 . 1 134 134 ALA N N 15 122.193 0.05 . 1 . . . . . 129 ALA N . 27951 1 1582 . 1 . 1 135 135 PRO HA H 1 4.705 0.01 . 1 . . . . . 130 PRO HA . 27951 1 1583 . 1 . 1 135 135 PRO HB2 H 1 2.103 0.01 . 2 . . . . . 130 PRO HB2 . 27951 1 1584 . 1 . 1 135 135 PRO HB3 H 1 1.781 0.01 . 2 . . . . . 130 PRO HB3 . 27951 1 1585 . 1 . 1 135 135 PRO HG2 H 1 1.547 0.01 . 2 . . . . . 130 PRO HG2 . 27951 1 1586 . 1 . 1 135 135 PRO HG3 H 1 1.173 0.01 . 2 . . . . . 130 PRO HG3 . 27951 1 1587 . 1 . 1 135 135 PRO HD2 H 1 3.345 0.01 . 2 . . . . . 130 PRO HD2 . 27951 1 1588 . 1 . 1 135 135 PRO HD3 H 1 2.862 0.01 . 2 . . . . . 130 PRO HD3 . 27951 1 1589 . 1 . 1 135 135 PRO C C 13 176.816 0.03 . 1 . . . . . 130 PRO C . 27951 1 1590 . 1 . 1 135 135 PRO CA C 13 61.970 0.06 . 1 . . . . . 130 PRO CA . 27951 1 1591 . 1 . 1 135 135 PRO CB C 13 31.579 0.03 . 1 . . . . . 130 PRO CB . 27951 1 1592 . 1 . 1 135 135 PRO CG C 13 26.591 0.05 . 1 . . . . . 130 PRO CG . 27951 1 1593 . 1 . 1 135 135 PRO CD C 13 50.002 0.03 . 1 . . . . . 130 PRO CD . 27951 1 1594 . 1 . 1 136 136 THR H H 1 8.315 0.01 . 1 . . . . . 131 THR H . 27951 1 1595 . 1 . 1 136 136 THR HA H 1 4.372 0.01 . 1 . . . . . 131 THR HA . 27951 1 1596 . 1 . 1 136 136 THR HB H 1 4.750 0.01 . 1 . . . . . 131 THR HB . 27951 1 1597 . 1 . 1 136 136 THR HG21 H 1 1.483 0.01 . 2 . . . . . 131 THR HG21 . 27951 1 1598 . 1 . 1 136 136 THR HG22 H 1 1.483 0.01 . 2 . . . . . 131 THR HG22 . 27951 1 1599 . 1 . 1 136 136 THR HG23 H 1 1.483 0.01 . 2 . . . . . 131 THR HG23 . 27951 1 1600 . 1 . 1 136 136 THR C C 13 176.145 0.04 . 1 . . . . . 131 THR C . 27951 1 1601 . 1 . 1 136 136 THR CA C 13 61.536 0.04 . 1 . . . . . 131 THR CA . 27951 1 1602 . 1 . 1 136 136 THR CB C 13 69.722 0.07 . 1 . . . . . 131 THR CB . 27951 1 1603 . 1 . 1 136 136 THR CG2 C 13 22.727 0.09 . 1 . . . . . 131 THR CG2 . 27951 1 1604 . 1 . 1 136 136 THR N N 15 112.321 0.07 . 1 . . . . . 131 THR N . 27951 1 1605 . 1 . 1 137 137 LEU H H 1 8.675 0.01 . 1 . . . . . 132 LEU H . 27951 1 1606 . 1 . 1 137 137 LEU HA H 1 3.942 0.01 . 1 . . . . . 132 LEU HA . 27951 1 1607 . 1 . 1 137 137 LEU HB2 H 1 1.707 0.01 . 2 . . . . . 132 LEU HB2 . 27951 1 1608 . 1 . 1 137 137 LEU HB3 H 1 1.350 0.01 . 2 . . . . . 132 LEU HB3 . 27951 1 1609 . 1 . 1 137 137 LEU HG H 1 1.576 0.01 . 1 . . . . . 132 LEU HG . 27951 1 1610 . 1 . 1 137 137 LEU HD11 H 1 0.844 0.01 . 2 . . . . . 132 LEU HD11 . 27951 1 1611 . 1 . 1 137 137 LEU HD12 H 1 0.844 0.01 . 2 . . . . . 132 LEU HD12 . 27951 1 1612 . 1 . 1 137 137 LEU HD13 H 1 0.844 0.01 . 2 . . . . . 132 LEU HD13 . 27951 1 1613 . 1 . 1 137 137 LEU HD21 H 1 0.815 0.01 . 2 . . . . . 132 LEU HD21 . 27951 1 1614 . 1 . 1 137 137 LEU HD22 H 1 0.815 0.01 . 2 . . . . . 132 LEU HD22 . 27951 1 1615 . 1 . 1 137 137 LEU HD23 H 1 0.815 0.01 . 2 . . . . . 132 LEU HD23 . 27951 1 1616 . 1 . 1 137 137 LEU C C 13 178.449 0.04 . 1 . . . . . 132 LEU C . 27951 1 1617 . 1 . 1 137 137 LEU CA C 13 58.155 0.07 . 1 . . . . . 132 LEU CA . 27951 1 1618 . 1 . 1 137 137 LEU CB C 13 41.948 0.05 . 1 . . . . . 132 LEU CB . 27951 1 1619 . 1 . 1 137 137 LEU CG C 13 27.146 0.09 . 1 . . . . . 132 LEU CG . 27951 1 1620 . 1 . 1 137 137 LEU CD1 C 13 24.785 0.06 . 2 . . . . . 132 LEU CD1 . 27951 1 1621 . 1 . 1 137 137 LEU CD2 C 13 24.132 0.04 . 2 . . . . . 132 LEU CD2 . 27951 1 1622 . 1 . 1 137 137 LEU N N 15 123.050 0.05 . 1 . . . . . 132 LEU N . 27951 1 1623 . 1 . 1 138 138 ASP H H 1 8.568 0.01 . 1 . . . . . 133 ASP H . 27951 1 1624 . 1 . 1 138 138 ASP HA H 1 4.267 0.01 . 1 . . . . . 133 ASP HA . 27951 1 1625 . 1 . 1 138 138 ASP HB2 H 1 2.602 0.01 . 2 . . . . . 133 ASP HB2 . 27951 1 1626 . 1 . 1 138 138 ASP HB3 H 1 2.472 0.01 . 2 . . . . . 133 ASP HB3 . 27951 1 1627 . 1 . 1 138 138 ASP C C 13 178.452 0.02 . 1 . . . . . 133 ASP C . 27951 1 1628 . 1 . 1 138 138 ASP CA C 13 57.753 0.06 . 1 . . . . . 133 ASP CA . 27951 1 1629 . 1 . 1 138 138 ASP CB C 13 40.394 0.07 . 1 . . . . . 133 ASP CB . 27951 1 1630 . 1 . 1 138 138 ASP N N 15 115.551 0.10 . 1 . . . . . 133 ASP N . 27951 1 1631 . 1 . 1 139 139 VAL H H 1 7.176 0.01 . 1 . . . . . 134 VAL H . 27951 1 1632 . 1 . 1 139 139 VAL HA H 1 3.815 0.01 . 1 . . . . . 134 VAL HA . 27951 1 1633 . 1 . 1 139 139 VAL HB H 1 2.176 0.01 . 1 . . . . . 134 VAL HB . 27951 1 1634 . 1 . 1 139 139 VAL HG11 H 1 0.916 0.01 . 2 . . . . . 134 VAL HG11 . 27951 1 1635 . 1 . 1 139 139 VAL HG12 H 1 0.916 0.01 . 2 . . . . . 134 VAL HG12 . 27951 1 1636 . 1 . 1 139 139 VAL HG13 H 1 0.916 0.01 . 2 . . . . . 134 VAL HG13 . 27951 1 1637 . 1 . 1 139 139 VAL HG21 H 1 0.969 0.01 . 2 . . . . . 134 VAL HG21 . 27951 1 1638 . 1 . 1 139 139 VAL HG22 H 1 0.969 0.01 . 2 . . . . . 134 VAL HG22 . 27951 1 1639 . 1 . 1 139 139 VAL HG23 H 1 0.969 0.01 . 2 . . . . . 134 VAL HG23 . 27951 1 1640 . 1 . 1 139 139 VAL CA C 13 66.654 0.02 . 1 . . . . . 134 VAL CA . 27951 1 1641 . 1 . 1 139 139 VAL CB C 13 31.827 0.04 . 1 . . . . . 134 VAL CB . 27951 1 1642 . 1 . 1 139 139 VAL CG1 C 13 24.627 0.04 . 2 . . . . . 134 VAL CG1 . 27951 1 1643 . 1 . 1 139 139 VAL CG2 C 13 21.850 0.01 . 2 . . . . . 134 VAL CG2 . 27951 1 1644 . 1 . 1 139 139 VAL N N 15 118.124 0.09 . 1 . . . . . 134 VAL N . 27951 1 1645 . 1 . 1 140 140 ALA HA H 1 4.077 0.01 . 1 . . . . . 135 ALA HA . 27951 1 1646 . 1 . 1 140 140 ALA HB1 H 1 1.259 0.01 . 2 . . . . . 135 ALA HB1 . 27951 1 1647 . 1 . 1 140 140 ALA HB2 H 1 1.259 0.01 . 2 . . . . . 135 ALA HB2 . 27951 1 1648 . 1 . 1 140 140 ALA HB3 H 1 1.259 0.01 . 2 . . . . . 135 ALA HB3 . 27951 1 1649 . 1 . 1 140 140 ALA C C 13 178.346 0.04 . 1 . . . . . 135 ALA C . 27951 1 1650 . 1 . 1 140 140 ALA CA C 13 56.123 0.05 . 1 . . . . . 135 ALA CA . 27951 1 1651 . 1 . 1 140 140 ALA CB C 13 18.511 0.03 . 1 . . . . . 135 ALA CB . 27951 1 1652 . 1 . 1 141 141 VAL H H 1 8.669 0.01 . 1 . . . . . 136 VAL H . 27951 1 1653 . 1 . 1 141 141 VAL HA H 1 3.180 0.01 . 1 . . . . . 136 VAL HA . 27951 1 1654 . 1 . 1 141 141 VAL HB H 1 1.800 0.01 . 1 . . . . . 136 VAL HB . 27951 1 1655 . 1 . 1 141 141 VAL HG11 H 1 -0.182 0.01 . 2 . . . . . 136 VAL HG11 . 27951 1 1656 . 1 . 1 141 141 VAL HG12 H 1 -0.182 0.01 . 2 . . . . . 136 VAL HG12 . 27951 1 1657 . 1 . 1 141 141 VAL HG13 H 1 -0.182 0.01 . 2 . . . . . 136 VAL HG13 . 27951 1 1658 . 1 . 1 141 141 VAL HG21 H 1 0.596 0.01 . 2 . . . . . 136 VAL HG21 . 27951 1 1659 . 1 . 1 141 141 VAL HG22 H 1 0.596 0.01 . 2 . . . . . 136 VAL HG22 . 27951 1 1660 . 1 . 1 141 141 VAL HG23 H 1 0.596 0.01 . 2 . . . . . 136 VAL HG23 . 27951 1 1661 . 1 . 1 141 141 VAL C C 13 178.283 0.05 . 1 . . . . . 136 VAL C . 27951 1 1662 . 1 . 1 141 141 VAL CA C 13 66.291 0.04 . 1 . . . . . 136 VAL CA . 27951 1 1663 . 1 . 1 141 141 VAL CB C 13 30.970 0.04 . 1 . . . . . 136 VAL CB . 27951 1 1664 . 1 . 1 141 141 VAL CG1 C 13 21.725 0.04 . 2 . . . . . 136 VAL CG1 . 27951 1 1665 . 1 . 1 141 141 VAL CG2 C 13 21.111 0.01 . 2 . . . . . 136 VAL CG2 . 27951 1 1666 . 1 . 1 141 141 VAL N N 15 115.340 0.27 . 1 . . . . . 136 VAL N . 27951 1 1667 . 1 . 1 142 142 GLY H H 1 7.982 0.01 . 1 . . . . . 137 GLY H . 27951 1 1668 . 1 . 1 142 142 GLY HA2 H 1 3.614 0.01 . 2 . . . . . 137 GLY HA2 . 27951 1 1669 . 1 . 1 142 142 GLY HA3 H 1 3.277 0.01 . 2 . . . . . 137 GLY HA3 . 27951 1 1670 . 1 . 1 142 142 GLY C C 13 175.116 0.04 . 1 . . . . . 137 GLY C . 27951 1 1671 . 1 . 1 142 142 GLY CA C 13 47.970 0.02 . 1 . . . . . 137 GLY CA . 27951 1 1672 . 1 . 1 142 142 GLY N N 15 106.529 0.05 . 1 . . . . . 137 GLY N . 27951 1 1673 . 1 . 1 143 143 GLU H H 1 8.347 0.01 . 1 . . . . . 138 GLU H . 27951 1 1674 . 1 . 1 143 143 GLU HA H 1 3.887 0.01 . 1 . . . . . 138 GLU HA . 27951 1 1675 . 1 . 1 143 143 GLU HB2 H 1 2.264 0.01 . 2 . . . . . 138 GLU HB2 . 27951 1 1676 . 1 . 1 143 143 GLU HB3 H 1 2.077 0.01 . 2 . . . . . 138 GLU HB3 . 27951 1 1677 . 1 . 1 143 143 GLU HG2 H 1 3.101 0.01 . 2 . . . . . 138 GLU HG2 . 27951 1 1678 . 1 . 1 143 143 GLU HG3 H 1 2.448 0.01 . 2 . . . . . 138 GLU HG3 . 27951 1 1679 . 1 . 1 143 143 GLU C C 13 177.117 0.03 . 1 . . . . . 138 GLU C . 27951 1 1680 . 1 . 1 143 143 GLU CA C 13 62.174 0.05 . 1 . . . . . 138 GLU CA . 27951 1 1681 . 1 . 1 143 143 GLU CB C 13 28.634 0.07 . 1 . . . . . 138 GLU CB . 27951 1 1682 . 1 . 1 143 143 GLU CG C 13 35.944 0.04 . 1 . . . . . 138 GLU CG . 27951 1 1683 . 1 . 1 143 143 GLU N N 15 117.927 0.05 . 1 . . . . . 138 GLU N . 27951 1 1684 . 1 . 1 144 144 LEU H H 1 7.376 0.01 . 1 . . . . . 139 LEU H . 27951 1 1685 . 1 . 1 144 144 LEU HA H 1 3.391 0.01 . 1 . . . . . 139 LEU HA . 27951 1 1686 . 1 . 1 144 144 LEU HB2 H 1 1.892 0.01 . 2 . . . . . 139 LEU HB2 . 27951 1 1687 . 1 . 1 144 144 LEU HB3 H 1 1.004 0.01 . 2 . . . . . 139 LEU HB3 . 27951 1 1688 . 1 . 1 144 144 LEU HG H 1 1.173 0.01 . 1 . . . . . 139 LEU HG . 27951 1 1689 . 1 . 1 144 144 LEU HD11 H 1 0.823 0.01 . 2 . . . . . 139 LEU HD11 . 27951 1 1690 . 1 . 1 144 144 LEU HD12 H 1 0.823 0.01 . 2 . . . . . 139 LEU HD12 . 27951 1 1691 . 1 . 1 144 144 LEU HD13 H 1 0.823 0.01 . 2 . . . . . 139 LEU HD13 . 27951 1 1692 . 1 . 1 144 144 LEU HD21 H 1 0.214 0.01 . 2 . . . . . 139 LEU HD21 . 27951 1 1693 . 1 . 1 144 144 LEU HD22 H 1 0.214 0.01 . 2 . . . . . 139 LEU HD22 . 27951 1 1694 . 1 . 1 144 144 LEU HD23 H 1 0.214 0.01 . 2 . . . . . 139 LEU HD23 . 27951 1 1695 . 1 . 1 144 144 LEU C C 13 178.789 0.03 . 1 . . . . . 139 LEU C . 27951 1 1696 . 1 . 1 144 144 LEU CA C 13 59.107 0.02 . 1 . . . . . 139 LEU CA . 27951 1 1697 . 1 . 1 144 144 LEU CB C 13 41.091 0.03 . 1 . . . . . 139 LEU CB . 27951 1 1698 . 1 . 1 144 144 LEU CG C 13 26.658 0.01 . 1 . . . . . 139 LEU CG . 27951 1 1699 . 1 . 1 144 144 LEU CD1 C 13 25.762 0.01 . 2 . . . . . 139 LEU CD1 . 27951 1 1700 . 1 . 1 144 144 LEU CD2 C 13 22.764 0.03 . 2 . . . . . 139 LEU CD2 . 27951 1 1701 . 1 . 1 144 144 LEU N N 15 116.955 0.04 . 1 . . . . . 139 LEU N . 27951 1 1702 . 1 . 1 145 145 LEU H H 1 8.363 0.01 . 1 . . . . . 140 LEU H . 27951 1 1703 . 1 . 1 145 145 LEU HA H 1 3.848 0.01 . 1 . . . . . 140 LEU HA . 27951 1 1704 . 1 . 1 145 145 LEU HB2 H 1 1.863 0.01 . 2 . . . . . 140 LEU HB2 . 27951 1 1705 . 1 . 1 145 145 LEU HB3 H 1 1.207 0.01 . 2 . . . . . 140 LEU HB3 . 27951 1 1706 . 1 . 1 145 145 LEU HG H 1 1.990 0.01 . 1 . . . . . 140 LEU HG . 27951 1 1707 . 1 . 1 145 145 LEU HD11 H 1 0.704 0.01 . 2 . . . . . 140 LEU HD11 . 27951 1 1708 . 1 . 1 145 145 LEU HD12 H 1 0.704 0.01 . 2 . . . . . 140 LEU HD12 . 27951 1 1709 . 1 . 1 145 145 LEU HD13 H 1 0.704 0.01 . 2 . . . . . 140 LEU HD13 . 27951 1 1710 . 1 . 1 145 145 LEU HD21 H 1 0.767 0.01 . 2 . . . . . 140 LEU HD21 . 27951 1 1711 . 1 . 1 145 145 LEU HD22 H 1 0.767 0.01 . 2 . . . . . 140 LEU HD22 . 27951 1 1712 . 1 . 1 145 145 LEU HD23 H 1 0.767 0.01 . 2 . . . . . 140 LEU HD23 . 27951 1 1713 . 1 . 1 145 145 LEU C C 13 179.452 0.04 . 1 . . . . . 140 LEU C . 27951 1 1714 . 1 . 1 145 145 LEU CA C 13 57.712 0.04 . 1 . . . . . 140 LEU CA . 27951 1 1715 . 1 . 1 145 145 LEU CB C 13 42.783 0.06 . 1 . . . . . 140 LEU CB . 27951 1 1716 . 1 . 1 145 145 LEU CG C 13 26.731 0.06 . 1 . . . . . 140 LEU CG . 27951 1 1717 . 1 . 1 145 145 LEU CD1 C 13 26.991 0.02 . 2 . . . . . 140 LEU CD1 . 27951 1 1718 . 1 . 1 145 145 LEU CD2 C 13 23.780 0.04 . 2 . . . . . 140 LEU CD2 . 27951 1 1719 . 1 . 1 145 145 LEU N N 15 116.229 0.06 . 1 . . . . . 140 LEU N . 27951 1 1720 . 1 . 1 146 146 ALA H H 1 8.491 0.01 . 1 . . . . . 141 ALA H . 27951 1 1721 . 1 . 1 146 146 ALA HA H 1 3.953 0.01 . 1 . . . . . 141 ALA HA . 27951 1 1722 . 1 . 1 146 146 ALA HB1 H 1 1.259 0.01 . 2 . . . . . 141 ALA HB1 . 27951 1 1723 . 1 . 1 146 146 ALA HB2 H 1 1.259 0.01 . 2 . . . . . 141 ALA HB2 . 27951 1 1724 . 1 . 1 146 146 ALA HB3 H 1 1.259 0.01 . 2 . . . . . 141 ALA HB3 . 27951 1 1725 . 1 . 1 146 146 ALA C C 13 177.430 0.03 . 1 . . . . . 141 ALA C . 27951 1 1726 . 1 . 1 146 146 ALA CA C 13 54.345 0.05 . 1 . . . . . 141 ALA CA . 27951 1 1727 . 1 . 1 146 146 ALA CB C 13 17.785 0.01 . 1 . . . . . 141 ALA CB . 27951 1 1728 . 1 . 1 146 146 ALA N N 15 119.797 0.04 . 1 . . . . . 141 ALA N . 27951 1 1729 . 1 . 1 147 147 ASP H H 1 7.488 0.01 . 1 . . . . . 142 ASP H . 27951 1 1730 . 1 . 1 147 147 ASP HA H 1 4.923 0.01 . 1 . . . . . 142 ASP HA . 27951 1 1731 . 1 . 1 147 147 ASP HB2 H 1 2.385 0.01 . 2 . . . . . 142 ASP HB2 . 27951 1 1732 . 1 . 1 147 147 ASP HB3 H 1 2.251 0.01 . 2 . . . . . 142 ASP HB3 . 27951 1 1733 . 1 . 1 147 147 ASP C C 13 174.815 0.03 . 1 . . . . . 142 ASP C . 27951 1 1734 . 1 . 1 147 147 ASP CA C 13 53.807 0.06 . 1 . . . . . 142 ASP CA . 27951 1 1735 . 1 . 1 147 147 ASP CB C 13 44.304 0.02 . 1 . . . . . 142 ASP CB . 27951 1 1736 . 1 . 1 147 147 ASP N N 15 116.276 0.05 . 1 . . . . . 142 ASP N . 27951 1 1737 . 1 . 1 148 148 THR H H 1 7.200 0.01 . 1 . . . . . 143 THR H . 27951 1 1738 . 1 . 1 148 148 THR HA H 1 4.124 0.01 . 1 . . . . . 143 THR HA . 27951 1 1739 . 1 . 1 148 148 THR HB H 1 4.116 0.01 . 1 . . . . . 143 THR HB . 27951 1 1740 . 1 . 1 148 148 THR HG21 H 1 1.128 0.01 . 2 . . . . . 143 THR HG21 . 27951 1 1741 . 1 . 1 148 148 THR HG22 H 1 1.128 0.01 . 2 . . . . . 143 THR HG22 . 27951 1 1742 . 1 . 1 148 148 THR HG23 H 1 1.128 0.01 . 2 . . . . . 143 THR HG23 . 27951 1 1743 . 1 . 1 148 148 THR C C 13 178.982 0.04 . 1 . . . . . 143 THR C . 27951 1 1744 . 1 . 1 148 148 THR CA C 13 65.995 0.02 . 1 . . . . . 143 THR CA . 27951 1 1745 . 1 . 1 148 148 THR CB C 13 70.420 0.02 . 1 . . . . . 143 THR CB . 27951 1 1746 . 1 . 1 148 148 THR CG2 C 13 21.830 0.03 . 1 . . . . . 143 THR CG . 27951 1 1747 . 1 . 1 148 148 THR N N 15 122.379 0.04 . 1 . . . . . 143 THR N . 27951 1 stop_ save_