data_25494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25494 _Entry.Title ; First and second KH domains of hnRNP E1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-19 _Entry.Accession_date 2015-02-19 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yang Li . . . . 25494 2 Mirko Hennig . . . . 25494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 25494 '15N chemical shifts' 148 25494 '1H chemical shifts' 555 25494 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-06-30 . original BMRB . 25494 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25494 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26143480 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C backbone resonance assignments of the N-terminal, tandem KH domains of human hnRNP E1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 431 _Citation.Page_last 434 _Citation.Year 2015 _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 Yang Li . . . . 25494 1 2 Hennig Mirko . . . . 25494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25494 _Assembly.ID 1 _Assembly.Name 'First and Second KH domains of hnRNP E1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 entity 1 $entity A . yes native no no . . . 25494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25494 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name First_and_Second_KH_domains_of_hnRNP_E1 _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 ; MLTIRLLMHGKEVGSIIGKK GESVKRIREESGARINISEG NSPERIITLTGPTNAIFKAF AMIIDKLEEDINSSMTNSTA ASRPPVTLRLVVPATQAGSL IGKGGAKIKEIRESTGAQVQ VAGDMLPNSTERAITIAGVP QSVTEAVKQISLVMLETLWL EHHHHHH ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C54S, C109A, C118A, C158S, C163A' _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 13 MET . 25494 1 2 14 LEU . 25494 1 3 15 THR . 25494 1 4 16 ILE . 25494 1 5 17 ARG . 25494 1 6 18 LEU . 25494 1 7 19 LEU . 25494 1 8 20 MET . 25494 1 9 21 HIS . 25494 1 10 22 GLY . 25494 1 11 23 LYS . 25494 1 12 24 GLU . 25494 1 13 25 VAL . 25494 1 14 26 GLY . 25494 1 15 27 SER . 25494 1 16 28 ILE . 25494 1 17 29 ILE . 25494 1 18 30 GLY . 25494 1 19 31 LYS . 25494 1 20 32 LYS . 25494 1 21 33 GLY . 25494 1 22 34 GLU . 25494 1 23 35 SER . 25494 1 24 36 VAL . 25494 1 25 37 LYS . 25494 1 26 38 ARG . 25494 1 27 39 ILE . 25494 1 28 40 ARG . 25494 1 29 41 GLU . 25494 1 30 42 GLU . 25494 1 31 43 SER . 25494 1 32 44 GLY . 25494 1 33 45 ALA . 25494 1 34 46 ARG . 25494 1 35 47 ILE . 25494 1 36 48 ASN . 25494 1 37 49 ILE . 25494 1 38 50 SER . 25494 1 39 51 GLU . 25494 1 40 52 GLY . 25494 1 41 53 ASN . 25494 1 42 54 SER . 25494 1 43 55 PRO . 25494 1 44 56 GLU . 25494 1 45 57 ARG . 25494 1 46 58 ILE . 25494 1 47 59 ILE . 25494 1 48 60 THR . 25494 1 49 61 LEU . 25494 1 50 62 THR . 25494 1 51 63 GLY . 25494 1 52 64 PRO . 25494 1 53 65 THR . 25494 1 54 66 ASN . 25494 1 55 67 ALA . 25494 1 56 68 ILE . 25494 1 57 69 PHE . 25494 1 58 70 LYS . 25494 1 59 71 ALA . 25494 1 60 72 PHE . 25494 1 61 73 ALA . 25494 1 62 74 MET . 25494 1 63 75 ILE . 25494 1 64 76 ILE . 25494 1 65 77 ASP . 25494 1 66 78 LYS . 25494 1 67 79 LEU . 25494 1 68 80 GLU . 25494 1 69 81 GLU . 25494 1 70 82 ASP . 25494 1 71 83 ILE . 25494 1 72 84 ASN . 25494 1 73 85 SER . 25494 1 74 86 SER . 25494 1 75 87 MET . 25494 1 76 88 THR . 25494 1 77 89 ASN . 25494 1 78 90 SER . 25494 1 79 91 THR . 25494 1 80 92 ALA . 25494 1 81 93 ALA . 25494 1 82 94 SER . 25494 1 83 95 ARG . 25494 1 84 96 PRO . 25494 1 85 97 PRO . 25494 1 86 98 VAL . 25494 1 87 99 THR . 25494 1 88 100 LEU . 25494 1 89 101 ARG . 25494 1 90 102 LEU . 25494 1 91 103 VAL . 25494 1 92 104 VAL . 25494 1 93 105 PRO . 25494 1 94 106 ALA . 25494 1 95 107 THR . 25494 1 96 108 GLN . 25494 1 97 109 ALA . 25494 1 98 110 GLY . 25494 1 99 111 SER . 25494 1 100 112 LEU . 25494 1 101 113 ILE . 25494 1 102 114 GLY . 25494 1 103 115 LYS . 25494 1 104 116 GLY . 25494 1 105 117 GLY . 25494 1 106 118 ALA . 25494 1 107 119 LYS . 25494 1 108 120 ILE . 25494 1 109 121 LYS . 25494 1 110 122 GLU . 25494 1 111 123 ILE . 25494 1 112 124 ARG . 25494 1 113 125 GLU . 25494 1 114 126 SER . 25494 1 115 127 THR . 25494 1 116 128 GLY . 25494 1 117 129 ALA . 25494 1 118 130 GLN . 25494 1 119 131 VAL . 25494 1 120 132 GLN . 25494 1 121 133 VAL . 25494 1 122 134 ALA . 25494 1 123 135 GLY . 25494 1 124 136 ASP . 25494 1 125 137 MET . 25494 1 126 138 LEU . 25494 1 127 139 PRO . 25494 1 128 140 ASN . 25494 1 129 141 SER . 25494 1 130 142 THR . 25494 1 131 143 GLU . 25494 1 132 144 ARG . 25494 1 133 145 ALA . 25494 1 134 146 ILE . 25494 1 135 147 THR . 25494 1 136 148 ILE . 25494 1 137 149 ALA . 25494 1 138 150 GLY . 25494 1 139 151 VAL . 25494 1 140 152 PRO . 25494 1 141 153 GLN . 25494 1 142 154 SER . 25494 1 143 155 VAL . 25494 1 144 156 THR . 25494 1 145 157 GLU . 25494 1 146 158 ALA . 25494 1 147 159 VAL . 25494 1 148 160 LYS . 25494 1 149 161 GLN . 25494 1 150 162 ILE . 25494 1 151 163 SER . 25494 1 152 164 LEU . 25494 1 153 165 VAL . 25494 1 154 166 MET . 25494 1 155 167 LEU . 25494 1 156 168 GLU . 25494 1 157 169 THR . 25494 1 158 170 LEU . 25494 1 159 171 TRP . 25494 1 160 172 LEU . 25494 1 161 173 GLU . 25494 1 162 174 HIS . 25494 1 163 175 HIS . 25494 1 164 176 HIS . 25494 1 165 177 HIS . 25494 1 166 178 HIS . 25494 1 167 179 HIS . 25494 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25494 1 . LEU 2 2 25494 1 . THR 3 3 25494 1 . ILE 4 4 25494 1 . ARG 5 5 25494 1 . LEU 6 6 25494 1 . LEU 7 7 25494 1 . MET 8 8 25494 1 . HIS 9 9 25494 1 . GLY 10 10 25494 1 . LYS 11 11 25494 1 . GLU 12 12 25494 1 . VAL 13 13 25494 1 . GLY 14 14 25494 1 . SER 15 15 25494 1 . ILE 16 16 25494 1 . ILE 17 17 25494 1 . GLY 18 18 25494 1 . LYS 19 19 25494 1 . LYS 20 20 25494 1 . GLY 21 21 25494 1 . GLU 22 22 25494 1 . SER 23 23 25494 1 . VAL 24 24 25494 1 . LYS 25 25 25494 1 . ARG 26 26 25494 1 . ILE 27 27 25494 1 . ARG 28 28 25494 1 . GLU 29 29 25494 1 . GLU 30 30 25494 1 . SER 31 31 25494 1 . GLY 32 32 25494 1 . ALA 33 33 25494 1 . ARG 34 34 25494 1 . ILE 35 35 25494 1 . ASN 36 36 25494 1 . ILE 37 37 25494 1 . SER 38 38 25494 1 . GLU 39 39 25494 1 . GLY 40 40 25494 1 . ASN 41 41 25494 1 . SER 42 42 25494 1 . PRO 43 43 25494 1 . GLU 44 44 25494 1 . ARG 45 45 25494 1 . ILE 46 46 25494 1 . ILE 47 47 25494 1 . THR 48 48 25494 1 . LEU 49 49 25494 1 . THR 50 50 25494 1 . GLY 51 51 25494 1 . PRO 52 52 25494 1 . THR 53 53 25494 1 . ASN 54 54 25494 1 . ALA 55 55 25494 1 . ILE 56 56 25494 1 . PHE 57 57 25494 1 . LYS 58 58 25494 1 . ALA 59 59 25494 1 . PHE 60 60 25494 1 . ALA 61 61 25494 1 . MET 62 62 25494 1 . ILE 63 63 25494 1 . ILE 64 64 25494 1 . ASP 65 65 25494 1 . LYS 66 66 25494 1 . LEU 67 67 25494 1 . GLU 68 68 25494 1 . GLU 69 69 25494 1 . ASP 70 70 25494 1 . ILE 71 71 25494 1 . ASN 72 72 25494 1 . SER 73 73 25494 1 . SER 74 74 25494 1 . MET 75 75 25494 1 . THR 76 76 25494 1 . ASN 77 77 25494 1 . SER 78 78 25494 1 . THR 79 79 25494 1 . ALA 80 80 25494 1 . ALA 81 81 25494 1 . SER 82 82 25494 1 . ARG 83 83 25494 1 . PRO 84 84 25494 1 . PRO 85 85 25494 1 . VAL 86 86 25494 1 . THR 87 87 25494 1 . LEU 88 88 25494 1 . ARG 89 89 25494 1 . LEU 90 90 25494 1 . VAL 91 91 25494 1 . VAL 92 92 25494 1 . PRO 93 93 25494 1 . ALA 94 94 25494 1 . THR 95 95 25494 1 . GLN 96 96 25494 1 . ALA 97 97 25494 1 . GLY 98 98 25494 1 . SER 99 99 25494 1 . LEU 100 100 25494 1 . ILE 101 101 25494 1 . GLY 102 102 25494 1 . LYS 103 103 25494 1 . GLY 104 104 25494 1 . GLY 105 105 25494 1 . ALA 106 106 25494 1 . LYS 107 107 25494 1 . ILE 108 108 25494 1 . LYS 109 109 25494 1 . GLU 110 110 25494 1 . ILE 111 111 25494 1 . ARG 112 112 25494 1 . GLU 113 113 25494 1 . SER 114 114 25494 1 . THR 115 115 25494 1 . GLY 116 116 25494 1 . ALA 117 117 25494 1 . GLN 118 118 25494 1 . VAL 119 119 25494 1 . GLN 120 120 25494 1 . VAL 121 121 25494 1 . ALA 122 122 25494 1 . GLY 123 123 25494 1 . ASP 124 124 25494 1 . MET 125 125 25494 1 . LEU 126 126 25494 1 . PRO 127 127 25494 1 . ASN 128 128 25494 1 . SER 129 129 25494 1 . THR 130 130 25494 1 . GLU 131 131 25494 1 . ARG 132 132 25494 1 . ALA 133 133 25494 1 . ILE 134 134 25494 1 . THR 135 135 25494 1 . ILE 136 136 25494 1 . ALA 137 137 25494 1 . GLY 138 138 25494 1 . VAL 139 139 25494 1 . PRO 140 140 25494 1 . GLN 141 141 25494 1 . SER 142 142 25494 1 . VAL 143 143 25494 1 . THR 144 144 25494 1 . GLU 145 145 25494 1 . ALA 146 146 25494 1 . VAL 147 147 25494 1 . LYS 148 148 25494 1 . GLN 149 149 25494 1 . ILE 150 150 25494 1 . SER 151 151 25494 1 . LEU 152 152 25494 1 . VAL 153 153 25494 1 . MET 154 154 25494 1 . LEU 155 155 25494 1 . GLU 156 156 25494 1 . THR 157 157 25494 1 . LEU 158 158 25494 1 . TRP 159 159 25494 1 . LEU 160 160 25494 1 . GLU 161 161 25494 1 . HIS 162 162 25494 1 . HIS 163 163 25494 1 . HIS 164 164 25494 1 . HIS 165 165 25494 1 . HIS 166 166 25494 1 . HIS 167 167 25494 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 25494 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukarya Metazoa Homo sapiens . . . . . . . . . . . . . 25494 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 25494 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-23a . . . 25494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25494 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity '[U-13C; U-15N]' . . 1 $entity . . 300 . . uM . . . . 25494 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25494 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25494 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25494 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity [U-15N] . . 1 $entity . . 300 . . uM . . . . 25494 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25494 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25494 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25494 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity '[U-13C; U-15N]' . . 1 $entity . . 300 . . uM . . . . 25494 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25494 3 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 25494 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 800 . mM 25494 1 pH 5.4 . pH 25494 1 pressure 1 . atm 25494 1 temperature 298 . K 25494 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25494 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25494 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25494 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25494 _Software.ID 2 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25494 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25494 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25494 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25494 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 25494 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 1 10 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25494 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 25494 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25494 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25494 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25494 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 25494 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25494 1 2 '2D 1H-13C HSQC' . . . 25494 1 3 '3D HNCA' . . . 25494 1 4 '3D HNCACB' . . . 25494 1 5 '3D HNCO' . . . 25494 1 6 '3D CBCA(CO)NH' . . . 25494 1 7 '3D HN(CO)CA' . . . 25494 1 8 '3D 1H-15N NOESY' . . . 25494 1 9 '3D HCCH-TOCSY' . . . 25494 1 10 '3D HNHA' . . . 25494 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU H H 1 8.786 0.007 . 1 . . . . 14 LEU H . 25494 1 2 . 1 1 2 2 LEU HA H 1 4.479 0.000 . 1 . . . . 14 LEU HA . 25494 1 3 . 1 1 2 2 LEU HB2 H 1 1.695 0.000 . 2 . . . . 14 LEU HB2 . 25494 1 4 . 1 1 2 2 LEU HB3 H 1 1.538 0.000 . 2 . . . . 14 LEU HB3 . 25494 1 5 . 1 1 2 2 LEU C C 13 174.579 0.000 . 1 . . . . 14 LEU C . 25494 1 6 . 1 1 2 2 LEU CA C 13 55.102 0.000 . 1 . . . . 14 LEU CA . 25494 1 7 . 1 1 2 2 LEU CB C 13 44.164 0.056 . 1 . . . . 14 LEU CB . 25494 1 8 . 1 1 2 2 LEU N N 15 125.884 0.049 . 1 . . . . 14 LEU N . 25494 1 9 . 1 1 3 3 THR H H 1 7.929 0.007 . 1 . . . . 15 THR H . 25494 1 10 . 1 1 3 3 THR HA H 1 5.215 0.000 . 1 . . . . 15 THR HA . 25494 1 11 . 1 1 3 3 THR HB H 1 3.861 0.000 . 1 . . . . 15 THR HB . 25494 1 12 . 1 1 3 3 THR C C 13 173.688 0.000 . 1 . . . . 15 THR C . 25494 1 13 . 1 1 3 3 THR CA C 13 61.768 0.000 . 1 . . . . 15 THR CA . 25494 1 14 . 1 1 3 3 THR CB C 13 71.203 0.024 . 1 . . . . 15 THR CB . 25494 1 15 . 1 1 3 3 THR N N 15 118.900 0.057 . 1 . . . . 15 THR N . 25494 1 16 . 1 1 4 4 ILE H H 1 9.046 0.006 . 1 . . . . 16 ILE H . 25494 1 17 . 1 1 4 4 ILE HA H 1 4.536 0.000 . 1 . . . . 16 ILE HA . 25494 1 18 . 1 1 4 4 ILE HB H 1 1.750 0.007 . 1 . . . . 16 ILE HB . 25494 1 19 . 1 1 4 4 ILE C C 13 173.618 0.000 . 1 . . . . 16 ILE C . 25494 1 20 . 1 1 4 4 ILE CA C 13 58.794 0.000 . 1 . . . . 16 ILE CA . 25494 1 21 . 1 1 4 4 ILE CB C 13 40.763 0.066 . 1 . . . . 16 ILE CB . 25494 1 22 . 1 1 4 4 ILE N N 15 126.517 0.055 . 1 . . . . 16 ILE N . 25494 1 23 . 1 1 5 5 ARG H H 1 9.050 0.005 . 1 . . . . 17 ARG H . 25494 1 24 . 1 1 5 5 ARG HA H 1 4.517 0.000 . 1 . . . . 17 ARG HA . 25494 1 25 . 1 1 5 5 ARG HB2 H 1 1.770 0.000 . 1 . . . . 17 ARG QB . 25494 1 26 . 1 1 5 5 ARG HB3 H 1 1.770 0.000 . 1 . . . . 17 ARG QB . 25494 1 27 . 1 1 5 5 ARG C C 13 174.555 0.000 . 1 . . . . 17 ARG C . 25494 1 28 . 1 1 5 5 ARG CA C 13 54.826 0.000 . 1 . . . . 17 ARG CA . 25494 1 29 . 1 1 5 5 ARG CB C 13 32.937 0.068 . 1 . . . . 17 ARG CB . 25494 1 30 . 1 1 5 5 ARG N N 15 126.811 0.060 . 1 . . . . 17 ARG N . 25494 1 31 . 1 1 6 6 LEU H H 1 9.249 0.007 . 1 . . . . 18 LEU H . 25494 1 32 . 1 1 6 6 LEU HA H 1 5.394 0.020 . 1 . . . . 18 LEU HA . 25494 1 33 . 1 1 6 6 LEU HB2 H 1 1.682 0.000 . 1 . . . . 18 LEU QB . 25494 1 34 . 1 1 6 6 LEU HB3 H 1 1.682 0.000 . 1 . . . . 18 LEU QB . 25494 1 35 . 1 1 6 6 LEU C C 13 175.444 0.000 . 1 . . . . 18 LEU C . 25494 1 36 . 1 1 6 6 LEU CA C 13 52.799 0.029 . 1 . . . . 18 LEU CA . 25494 1 37 . 1 1 6 6 LEU CB C 13 44.835 0.000 . 1 . . . . 18 LEU CB . 25494 1 38 . 1 1 6 6 LEU N N 15 122.284 0.040 . 1 . . . . 18 LEU N . 25494 1 39 . 1 1 7 7 LEU H H 1 8.724 0.005 . 1 . . . . 19 LEU H . 25494 1 40 . 1 1 7 7 LEU HA H 1 4.854 0.024 . 1 . . . . 19 LEU HA . 25494 1 41 . 1 1 7 7 LEU HB2 H 1 1.259 0.000 . 2 . . . . 19 LEU HB2 . 25494 1 42 . 1 1 7 7 LEU HB3 H 1 1.232 0.000 . 2 . . . . 19 LEU HB3 . 25494 1 43 . 1 1 7 7 LEU C C 13 176.266 0.000 . 1 . . . . 19 LEU C . 25494 1 44 . 1 1 7 7 LEU CA C 13 54.058 0.046 . 1 . . . . 19 LEU CA . 25494 1 45 . 1 1 7 7 LEU CB C 13 43.670 0.000 . 1 . . . . 19 LEU CB . 25494 1 46 . 1 1 7 7 LEU N N 15 124.227 0.043 . 1 . . . . 19 LEU N . 25494 1 47 . 1 1 8 8 MET H H 1 9.146 0.007 . 1 . . . . 20 MET H . 25494 1 48 . 1 1 8 8 MET HA H 1 4.837 0.012 . 1 . . . . 20 MET HA . 25494 1 49 . 1 1 8 8 MET HB2 H 1 2.070 0.000 . 1 . . . . 20 MET QB . 25494 1 50 . 1 1 8 8 MET HB3 H 1 2.070 0.000 . 1 . . . . 20 MET QB . 25494 1 51 . 1 1 8 8 MET C C 13 174.656 0.000 . 1 . . . . 20 MET C . 25494 1 52 . 1 1 8 8 MET CA C 13 54.610 0.094 . 1 . . . . 20 MET CA . 25494 1 53 . 1 1 8 8 MET CB C 13 37.085 0.000 . 1 . . . . 20 MET CB . 25494 1 54 . 1 1 8 8 MET N N 15 126.685 0.058 . 1 . . . . 20 MET N . 25494 1 55 . 1 1 9 9 HIS H H 1 8.830 0.005 . 1 . . . . 21 HIS H . 25494 1 56 . 1 1 9 9 HIS HA H 1 5.066 0.019 . 1 . . . . 21 HIS HA . 25494 1 57 . 1 1 9 9 HIS HB2 H 1 3.482 0.000 . 2 . . . . 21 HIS HB2 . 25494 1 58 . 1 1 9 9 HIS HB3 H 1 3.102 0.000 . 2 . . . . 21 HIS HB3 . 25494 1 59 . 1 1 9 9 HIS CA C 13 54.661 0.072 . 1 . . . . 21 HIS CA . 25494 1 60 . 1 1 9 9 HIS CB C 13 30.472 0.000 . 1 . . . . 21 HIS CB . 25494 1 61 . 1 1 9 9 HIS N N 15 118.403 0.034 . 1 . . . . 21 HIS N . 25494 1 62 . 1 1 10 10 GLY H H 1 9.006 0.004 . 1 . . . . 22 GLY H . 25494 1 63 . 1 1 10 10 GLY HA2 H 1 3.673 0.000 . 1 . . . . 22 GLY QA . 25494 1 64 . 1 1 10 10 GLY HA3 H 1 3.673 0.000 . 1 . . . . 22 GLY QA . 25494 1 65 . 1 1 10 10 GLY C C 13 176.764 0.000 . 1 . . . . 22 GLY C . 25494 1 66 . 1 1 10 10 GLY CA C 13 48.111 0.000 . 1 . . . . 22 GLY CA . 25494 1 67 . 1 1 10 10 GLY N N 15 111.105 0.041 . 1 . . . . 22 GLY N . 25494 1 68 . 1 1 11 11 LYS H H 1 9.155 0.012 . 1 . . . . 23 LYS H . 25494 1 69 . 1 1 11 11 LYS HA H 1 4.143 0.000 . 1 . . . . 23 LYS HA . 25494 1 70 . 1 1 11 11 LYS HB2 H 1 1.884 0.000 . 1 . . . . 23 LYS QB . 25494 1 71 . 1 1 11 11 LYS HB3 H 1 1.884 0.000 . 1 . . . . 23 LYS QB . 25494 1 72 . 1 1 11 11 LYS C C 13 178.761 0.000 . 1 . . . . 23 LYS C . 25494 1 73 . 1 1 11 11 LYS CA C 13 59.157 0.000 . 1 . . . . 23 LYS CA . 25494 1 74 . 1 1 11 11 LYS CB C 13 32.194 0.000 . 1 . . . . 23 LYS CB . 25494 1 75 . 1 1 11 11 LYS N N 15 123.420 0.048 . 1 . . . . 23 LYS N . 25494 1 76 . 1 1 12 12 GLU H H 1 7.588 0.005 . 1 . . . . 24 GLU H . 25494 1 77 . 1 1 12 12 GLU HA H 1 4.084 0.000 . 1 . . . . 24 GLU HA . 25494 1 78 . 1 1 12 12 GLU HB2 H 1 1.940 0.017 . 2 . . . . 24 GLU HB2 . 25494 1 79 . 1 1 12 12 GLU HB3 H 1 1.916 0.000 . 2 . . . . 24 GLU HB3 . 25494 1 80 . 1 1 12 12 GLU C C 13 178.516 0.000 . 1 . . . . 24 GLU C . 25494 1 81 . 1 1 12 12 GLU CA C 13 58.914 0.000 . 1 . . . . 24 GLU CA . 25494 1 82 . 1 1 12 12 GLU CB C 13 30.194 0.054 . 1 . . . . 24 GLU CB . 25494 1 83 . 1 1 12 12 GLU N N 15 118.709 0.059 . 1 . . . . 24 GLU N . 25494 1 84 . 1 1 13 13 VAL H H 1 7.750 0.008 . 1 . . . . 25 VAL H . 25494 1 85 . 1 1 13 13 VAL HA H 1 3.549 0.012 . 1 . . . . 25 VAL HA . 25494 1 86 . 1 1 13 13 VAL HB H 1 2.094 0.011 . 1 . . . . 25 VAL HB . 25494 1 87 . 1 1 13 13 VAL C C 13 177.719 0.000 . 1 . . . . 25 VAL C . 25494 1 88 . 1 1 13 13 VAL CA C 13 66.475 0.096 . 1 . . . . 25 VAL CA . 25494 1 89 . 1 1 13 13 VAL CB C 13 31.436 0.019 . 1 . . . . 25 VAL CB . 25494 1 90 . 1 1 13 13 VAL N N 15 117.161 0.043 . 1 . . . . 25 VAL N . 25494 1 91 . 1 1 14 14 GLY H H 1 8.048 0.006 . 1 . . . . 26 GLY H . 25494 1 92 . 1 1 14 14 GLY HA2 H 1 3.939 0.000 . 2 . . . . 26 GLY HA2 . 25494 1 93 . 1 1 14 14 GLY HA3 H 1 3.811 0.000 . 2 . . . . 26 GLY HA3 . 25494 1 94 . 1 1 14 14 GLY C C 13 176.909 0.000 . 1 . . . . 26 GLY C . 25494 1 95 . 1 1 14 14 GLY CA C 13 47.258 0.000 . 1 . . . . 26 GLY CA . 25494 1 96 . 1 1 14 14 GLY N N 15 106.385 0.035 . 1 . . . . 26 GLY N . 25494 1 97 . 1 1 15 15 SER H H 1 7.675 0.004 . 1 . . . . 27 SER H . 25494 1 98 . 1 1 15 15 SER HA H 1 4.264 0.000 . 1 . . . . 27 SER HA . 25494 1 99 . 1 1 15 15 SER HB2 H 1 3.940 0.000 . 1 . . . . 27 SER QB . 25494 1 100 . 1 1 15 15 SER HB3 H 1 3.940 0.000 . 1 . . . . 27 SER QB . 25494 1 101 . 1 1 15 15 SER C C 13 175.472 0.000 . 1 . . . . 27 SER C . 25494 1 102 . 1 1 15 15 SER CA C 13 61.311 0.000 . 1 . . . . 27 SER CA . 25494 1 103 . 1 1 15 15 SER CB C 13 63.025 0.034 . 1 . . . . 27 SER CB . 25494 1 104 . 1 1 15 15 SER N N 15 117.347 0.032 . 1 . . . . 27 SER N . 25494 1 105 . 1 1 16 16 ILE H H 1 7.580 0.003 . 1 . . . . 28 ILE H . 25494 1 106 . 1 1 16 16 ILE HA H 1 3.947 0.000 . 1 . . . . 28 ILE HA . 25494 1 107 . 1 1 16 16 ILE HB H 1 1.720 0.000 . 1 . . . . 28 ILE HB . 25494 1 108 . 1 1 16 16 ILE C C 13 176.470 0.000 . 1 . . . . 28 ILE C . 25494 1 109 . 1 1 16 16 ILE CA C 13 63.348 0.000 . 1 . . . . 28 ILE CA . 25494 1 110 . 1 1 16 16 ILE CB C 13 37.122 0.000 . 1 . . . . 28 ILE CB . 25494 1 111 . 1 1 16 16 ILE N N 15 118.165 0.000 . 1 . . . . 28 ILE N . 25494 1 112 . 1 1 17 17 ILE H H 1 8.204 0.005 . 1 . . . . 29 ILE H . 25494 1 113 . 1 1 17 17 ILE HA H 1 3.714 0.000 . 1 . . . . 29 ILE HA . 25494 1 114 . 1 1 17 17 ILE HB H 1 1.944 0.010 . 1 . . . . 29 ILE HB . 25494 1 115 . 1 1 17 17 ILE C C 13 178.966 0.000 . 1 . . . . 29 ILE C . 25494 1 116 . 1 1 17 17 ILE CA C 13 65.404 0.000 . 1 . . . . 29 ILE CA . 25494 1 117 . 1 1 17 17 ILE CB C 13 38.740 0.042 . 1 . . . . 29 ILE CB . 25494 1 118 . 1 1 17 17 ILE N N 15 117.527 0.044 . 1 . . . . 29 ILE N . 25494 1 119 . 1 1 18 18 GLY H H 1 7.815 0.004 . 1 . . . . 30 GLY H . 25494 1 120 . 1 1 18 18 GLY HA2 H 1 4.236 0.000 . 2 . . . . 30 GLY HA2 . 25494 1 121 . 1 1 18 18 GLY HA3 H 1 3.991 0.000 . 2 . . . . 30 GLY HA3 . 25494 1 122 . 1 1 18 18 GLY C C 13 174.362 0.000 . 1 . . . . 30 GLY C . 25494 1 123 . 1 1 18 18 GLY CA C 13 44.001 0.000 . 1 . . . . 30 GLY CA . 25494 1 124 . 1 1 18 18 GLY N N 15 106.401 0.033 . 1 . . . . 30 GLY N . 25494 1 125 . 1 1 19 19 LYS H H 1 9.031 0.004 . 1 . . . . 31 LYS H . 25494 1 126 . 1 1 19 19 LYS HA H 1 4.154 0.000 . 1 . . . . 31 LYS HA . 25494 1 127 . 1 1 19 19 LYS HB2 H 1 1.831 0.000 . 1 . . . . 31 LYS QB . 25494 1 128 . 1 1 19 19 LYS HB3 H 1 1.831 0.000 . 1 . . . . 31 LYS QB . 25494 1 129 . 1 1 19 19 LYS CA C 13 57.939 0.000 . 1 . . . . 31 LYS CA . 25494 1 130 . 1 1 19 19 LYS CB C 13 33.947 0.000 . 1 . . . . 31 LYS CB . 25494 1 131 . 1 1 19 19 LYS N N 15 123.255 0.032 . 1 . . . . 31 LYS N . 25494 1 132 . 1 1 20 20 LYS H H 1 9.525 0.011 . 1 . . . . 32 LYS H . 25494 1 133 . 1 1 20 20 LYS HA H 1 4.140 0.000 . 1 . . . . 32 LYS HA . 25494 1 134 . 1 1 20 20 LYS HB2 H 1 1.833 0.000 . 1 . . . . 32 LYS QB . 25494 1 135 . 1 1 20 20 LYS HB3 H 1 1.833 0.000 . 1 . . . . 32 LYS QB . 25494 1 136 . 1 1 20 20 LYS N N 15 122.017 0.083 . 1 . . . . 32 LYS N . 25494 1 137 . 1 1 21 21 GLY H H 1 7.666 0.008 . 1 . . . . 33 GLY H . 25494 1 138 . 1 1 21 21 GLY HA2 H 1 3.856 0.000 . 1 . . . . 33 GLY QA . 25494 1 139 . 1 1 21 21 GLY HA3 H 1 3.856 0.000 . 1 . . . . 33 GLY QA . 25494 1 140 . 1 1 21 21 GLY CA C 13 46.456 0.000 . 1 . . . . 33 GLY CA . 25494 1 141 . 1 1 21 21 GLY N N 15 106.105 0.172 . 1 . . . . 33 GLY N . 25494 1 142 . 1 1 22 22 GLU C C 13 178.690 0.000 . 1 . . . . 34 GLU C . 25494 1 143 . 1 1 23 23 SER H H 1 7.890 0.007 . 1 . . . . 35 SER H . 25494 1 144 . 1 1 23 23 SER HA H 1 4.224 0.000 . 1 . . . . 35 SER HA . 25494 1 145 . 1 1 23 23 SER HB2 H 1 3.704 0.000 . 1 . . . . 35 SER QB . 25494 1 146 . 1 1 23 23 SER HB3 H 1 3.704 0.000 . 1 . . . . 35 SER QB . 25494 1 147 . 1 1 23 23 SER C C 13 176.415 0.000 . 1 . . . . 35 SER C . 25494 1 148 . 1 1 23 23 SER CA C 13 60.979 0.000 . 1 . . . . 35 SER CA . 25494 1 149 . 1 1 23 23 SER CB C 13 61.833 0.000 . 1 . . . . 35 SER CB . 25494 1 150 . 1 1 23 23 SER N N 15 115.448 0.041 . 1 . . . . 35 SER N . 25494 1 151 . 1 1 24 24 VAL H H 1 7.841 0.005 . 1 . . . . 36 VAL H . 25494 1 152 . 1 1 24 24 VAL HA H 1 4.047 0.000 . 1 . . . . 36 VAL HA . 25494 1 153 . 1 1 24 24 VAL HB H 1 1.919 0.000 . 1 . . . . 36 VAL HB . 25494 1 154 . 1 1 24 24 VAL C C 13 176.483 0.000 . 1 . . . . 36 VAL C . 25494 1 155 . 1 1 24 24 VAL CA C 13 65.380 0.000 . 1 . . . . 36 VAL CA . 25494 1 156 . 1 1 24 24 VAL CB C 13 30.695 0.000 . 1 . . . . 36 VAL CB . 25494 1 157 . 1 1 24 24 VAL N N 15 122.060 0.034 . 1 . . . . 36 VAL N . 25494 1 158 . 1 1 25 25 LYS H H 1 7.661 0.005 . 1 . . . . 37 LYS H . 25494 1 159 . 1 1 25 25 LYS HA H 1 4.064 0.000 . 1 . . . . 37 LYS HA . 25494 1 160 . 1 1 25 25 LYS HB2 H 1 1.890 0.000 . 1 . . . . 37 LYS QB . 25494 1 161 . 1 1 25 25 LYS HB3 H 1 1.890 0.000 . 1 . . . . 37 LYS QB . 25494 1 162 . 1 1 25 25 LYS C C 13 177.999 0.000 . 1 . . . . 37 LYS C . 25494 1 163 . 1 1 25 25 LYS CA C 13 60.451 0.000 . 1 . . . . 37 LYS CA . 25494 1 164 . 1 1 25 25 LYS CB C 13 32.882 0.068 . 1 . . . . 37 LYS CB . 25494 1 165 . 1 1 25 25 LYS N N 15 122.936 0.026 . 1 . . . . 37 LYS N . 25494 1 166 . 1 1 26 26 ARG H H 1 7.406 0.000 . 1 . . . . 38 ARG H . 25494 1 167 . 1 1 26 26 ARG HA H 1 4.058 0.000 . 1 . . . . 38 ARG HA . 25494 1 168 . 1 1 26 26 ARG HB2 H 1 2.023 0.000 . 1 . . . . 38 ARG QB . 25494 1 169 . 1 1 26 26 ARG HB3 H 1 2.023 0.000 . 1 . . . . 38 ARG QB . 25494 1 170 . 1 1 26 26 ARG C C 13 178.812 0.000 . 1 . . . . 38 ARG C . 25494 1 171 . 1 1 26 26 ARG CA C 13 59.362 0.000 . 1 . . . . 38 ARG CA . 25494 1 172 . 1 1 26 26 ARG CB C 13 29.640 0.045 . 1 . . . . 38 ARG CB . 25494 1 173 . 1 1 26 26 ARG N N 15 119.049 0.035 . 1 . . . . 38 ARG N . 25494 1 174 . 1 1 27 27 ILE H H 1 8.320 0.006 . 1 . . . . 39 ILE H . 25494 1 175 . 1 1 27 27 ILE HA H 1 3.972 0.000 . 1 . . . . 39 ILE HA . 25494 1 176 . 1 1 27 27 ILE HB H 1 2.050 0.000 . 1 . . . . 39 ILE HB . 25494 1 177 . 1 1 27 27 ILE C C 13 180.544 0.000 . 1 . . . . 39 ILE C . 25494 1 178 . 1 1 27 27 ILE CA C 13 65.736 0.000 . 1 . . . . 39 ILE CA . 25494 1 179 . 1 1 27 27 ILE CB C 13 38.299 0.000 . 1 . . . . 39 ILE CB . 25494 1 180 . 1 1 27 27 ILE N N 15 118.809 0.032 . 1 . . . . 39 ILE N . 25494 1 181 . 1 1 28 28 ARG H H 1 8.760 0.004 . 1 . . . . 40 ARG H . 25494 1 182 . 1 1 28 28 ARG HA H 1 3.949 0.000 . 1 . . . . 40 ARG HA . 25494 1 183 . 1 1 28 28 ARG HB2 H 1 2.041 0.000 . 1 . . . . 40 ARG QB . 25494 1 184 . 1 1 28 28 ARG HB3 H 1 2.041 0.000 . 1 . . . . 40 ARG QB . 25494 1 185 . 1 1 28 28 ARG C C 13 178.377 0.000 . 1 . . . . 40 ARG C . 25494 1 186 . 1 1 28 28 ARG CA C 13 60.702 0.000 . 1 . . . . 40 ARG CA . 25494 1 187 . 1 1 28 28 ARG CB C 13 30.917 0.000 . 1 . . . . 40 ARG CB . 25494 1 188 . 1 1 28 28 ARG N N 15 123.418 0.052 . 1 . . . . 40 ARG N . 25494 1 189 . 1 1 29 29 GLU H H 1 8.372 0.000 . 1 . . . . 41 GLU H . 25494 1 190 . 1 1 29 29 GLU HA H 1 4.220 0.000 . 1 . . . . 41 GLU HA . 25494 1 191 . 1 1 29 29 GLU HB2 H 1 2.011 0.000 . 2 . . . . 41 GLU HB2 . 25494 1 192 . 1 1 29 29 GLU HB3 H 1 2.006 0.000 . 2 . . . . 41 GLU HB3 . 25494 1 193 . 1 1 29 29 GLU C C 13 179.213 0.000 . 1 . . . . 41 GLU C . 25494 1 194 . 1 1 29 29 GLU CA C 13 59.472 0.000 . 1 . . . . 41 GLU CA . 25494 1 195 . 1 1 29 29 GLU CB C 13 29.664 0.000 . 1 . . . . 41 GLU CB . 25494 1 196 . 1 1 29 29 GLU N N 15 118.798 0.042 . 1 . . . . 41 GLU N . 25494 1 197 . 1 1 30 30 GLU H H 1 8.753 0.005 . 1 . . . . 42 GLU H . 25494 1 198 . 1 1 30 30 GLU HA H 1 4.227 0.000 . 1 . . . . 42 GLU HA . 25494 1 199 . 1 1 30 30 GLU HB2 H 1 2.021 0.000 . 1 . . . . 42 GLU QB . 25494 1 200 . 1 1 30 30 GLU HB3 H 1 2.021 0.000 . 1 . . . . 42 GLU QB . 25494 1 201 . 1 1 30 30 GLU C C 13 178.300 0.000 . 1 . . . . 42 GLU C . 25494 1 202 . 1 1 30 30 GLU CA C 13 58.333 0.000 . 1 . . . . 42 GLU CA . 25494 1 203 . 1 1 30 30 GLU CB C 13 29.963 0.000 . 1 . . . . 42 GLU CB . 25494 1 204 . 1 1 30 30 GLU N N 15 115.925 0.035 . 1 . . . . 42 GLU N . 25494 1 205 . 1 1 31 31 SER H H 1 8.175 0.006 . 1 . . . . 43 SER H . 25494 1 206 . 1 1 31 31 SER HA H 1 4.229 0.000 . 1 . . . . 43 SER HA . 25494 1 207 . 1 1 31 31 SER HB2 H 1 3.848 0.000 . 1 . . . . 43 SER QB . 25494 1 208 . 1 1 31 31 SER HB3 H 1 3.848 0.000 . 1 . . . . 43 SER QB . 25494 1 209 . 1 1 31 31 SER C C 13 175.071 0.000 . 1 . . . . 43 SER C . 25494 1 210 . 1 1 31 31 SER CA C 13 60.907 0.000 . 1 . . . . 43 SER CA . 25494 1 211 . 1 1 31 31 SER CB C 13 64.731 0.000 . 1 . . . . 43 SER CB . 25494 1 212 . 1 1 31 31 SER N N 15 111.547 0.037 . 1 . . . . 43 SER N . 25494 1 213 . 1 1 32 32 GLY H H 1 7.768 0.006 . 1 . . . . 44 GLY H . 25494 1 214 . 1 1 32 32 GLY HA2 H 1 4.233 0.000 . 2 . . . . 44 GLY HA2 . 25494 1 215 . 1 1 32 32 GLY HA3 H 1 3.824 0.000 . 2 . . . . 44 GLY HA3 . 25494 1 216 . 1 1 32 32 GLY C C 13 174.374 0.000 . 1 . . . . 44 GLY C . 25494 1 217 . 1 1 32 32 GLY CA C 13 45.834 0.000 . 1 . . . . 44 GLY CA . 25494 1 218 . 1 1 32 32 GLY N N 15 109.279 0.043 . 1 . . . . 44 GLY N . 25494 1 219 . 1 1 33 33 ALA H H 1 8.423 0.006 . 1 . . . . 45 ALA H . 25494 1 220 . 1 1 33 33 ALA HA H 1 4.390 0.000 . 1 . . . . 45 ALA HA . 25494 1 221 . 1 1 33 33 ALA HB1 H 1 1.377 0.000 . 1 . . . . 45 ALA QB . 25494 1 222 . 1 1 33 33 ALA HB2 H 1 1.377 0.000 . 1 . . . . 45 ALA QB . 25494 1 223 . 1 1 33 33 ALA HB3 H 1 1.377 0.000 . 1 . . . . 45 ALA QB . 25494 1 224 . 1 1 33 33 ALA C C 13 176.412 0.000 . 1 . . . . 45 ALA C . 25494 1 225 . 1 1 33 33 ALA CA C 13 51.162 0.000 . 1 . . . . 45 ALA CA . 25494 1 226 . 1 1 33 33 ALA CB C 13 18.596 0.000 . 1 . . . . 45 ALA CB . 25494 1 227 . 1 1 33 33 ALA N N 15 123.178 0.040 . 1 . . . . 45 ALA N . 25494 1 228 . 1 1 34 34 ARG H H 1 8.523 0.007 . 1 . . . . 46 ARG H . 25494 1 229 . 1 1 34 34 ARG HA H 1 4.489 0.000 . 1 . . . . 46 ARG HA . 25494 1 230 . 1 1 34 34 ARG HB2 H 1 1.744 0.000 . 1 . . . . 46 ARG QB . 25494 1 231 . 1 1 34 34 ARG HB3 H 1 1.744 0.000 . 1 . . . . 46 ARG QB . 25494 1 232 . 1 1 34 34 ARG C C 13 176.053 0.000 . 1 . . . . 46 ARG C . 25494 1 233 . 1 1 34 34 ARG CA C 13 55.816 0.000 . 1 . . . . 46 ARG CA . 25494 1 234 . 1 1 34 34 ARG CB C 13 29.992 0.000 . 1 . . . . 46 ARG CB . 25494 1 235 . 1 1 34 34 ARG N N 15 120.624 0.038 . 1 . . . . 46 ARG N . 25494 1 236 . 1 1 35 35 ILE H H 1 8.594 0.003 . 1 . . . . 47 ILE H . 25494 1 237 . 1 1 35 35 ILE HA H 1 5.030 0.007 . 1 . . . . 47 ILE HA . 25494 1 238 . 1 1 35 35 ILE HB H 1 1.491 0.000 . 1 . . . . 47 ILE HB . 25494 1 239 . 1 1 35 35 ILE C C 13 174.613 0.000 . 1 . . . . 47 ILE C . 25494 1 240 . 1 1 35 35 ILE CA C 13 59.950 0.072 . 1 . . . . 47 ILE CA . 25494 1 241 . 1 1 35 35 ILE CB C 13 40.493 0.000 . 1 . . . . 47 ILE CB . 25494 1 242 . 1 1 35 35 ILE N N 15 123.337 0.048 . 1 . . . . 47 ILE N . 25494 1 243 . 1 1 36 36 ASN H H 1 8.929 0.005 . 1 . . . . 48 ASN H . 25494 1 244 . 1 1 36 36 ASN HA H 1 5.150 0.006 . 1 . . . . 48 ASN HA . 25494 1 245 . 1 1 36 36 ASN HB2 H 1 2.698 0.000 . 2 . . . . 48 ASN HB2 . 25494 1 246 . 1 1 36 36 ASN HB3 H 1 2.531 0.000 . 2 . . . . 48 ASN HB3 . 25494 1 247 . 1 1 36 36 ASN C C 13 173.084 0.000 . 1 . . . . 48 ASN C . 25494 1 248 . 1 1 36 36 ASN CA C 13 51.963 0.060 . 1 . . . . 48 ASN CA . 25494 1 249 . 1 1 36 36 ASN CB C 13 42.402 0.000 . 1 . . . . 48 ASN CB . 25494 1 250 . 1 1 36 36 ASN N N 15 126.245 0.055 . 1 . . . . 48 ASN N . 25494 1 251 . 1 1 37 37 ILE H H 1 8.922 0.007 . 1 . . . . 49 ILE H . 25494 1 252 . 1 1 37 37 ILE HA H 1 4.739 0.000 . 1 . . . . 49 ILE HA . 25494 1 253 . 1 1 37 37 ILE HB H 1 1.734 0.000 . 1 . . . . 49 ILE HB . 25494 1 254 . 1 1 37 37 ILE C C 13 175.763 0.000 . 1 . . . . 49 ILE C . 25494 1 255 . 1 1 37 37 ILE CA C 13 60.548 0.000 . 1 . . . . 49 ILE CA . 25494 1 256 . 1 1 37 37 ILE CB C 13 39.560 0.000 . 1 . . . . 49 ILE CB . 25494 1 257 . 1 1 37 37 ILE N N 15 124.134 0.031 . 1 . . . . 49 ILE N . 25494 1 258 . 1 1 38 38 SER H H 1 8.600 0.004 . 1 . . . . 50 SER H . 25494 1 259 . 1 1 38 38 SER HA H 1 4.320 0.000 . 1 . . . . 50 SER HA . 25494 1 260 . 1 1 38 38 SER HB2 H 1 4.045 0.000 . 1 . . . . 50 SER QB . 25494 1 261 . 1 1 38 38 SER HB3 H 1 4.045 0.000 . 1 . . . . 50 SER QB . 25494 1 262 . 1 1 38 38 SER C C 13 173.670 0.000 . 1 . . . . 50 SER C . 25494 1 263 . 1 1 38 38 SER CA C 13 59.599 0.000 . 1 . . . . 50 SER CA . 25494 1 264 . 1 1 38 38 SER CB C 13 63.764 0.000 . 1 . . . . 50 SER CB . 25494 1 265 . 1 1 38 38 SER N N 15 123.928 0.028 . 1 . . . . 50 SER N . 25494 1 266 . 1 1 39 39 GLU H H 1 8.681 0.003 . 1 . . . . 51 GLU H . 25494 1 267 . 1 1 39 39 GLU HA H 1 4.340 0.000 . 1 . . . . 51 GLU HA . 25494 1 268 . 1 1 39 39 GLU HB2 H 1 2.105 0.000 . 2 . . . . 51 GLU HB2 . 25494 1 269 . 1 1 39 39 GLU HB3 H 1 1.985 0.000 . 2 . . . . 51 GLU HB3 . 25494 1 270 . 1 1 39 39 GLU C C 13 176.938 0.000 . 1 . . . . 51 GLU C . 25494 1 271 . 1 1 39 39 GLU CA C 13 56.561 0.000 . 1 . . . . 51 GLU CA . 25494 1 272 . 1 1 39 39 GLU CB C 13 30.968 0.000 . 1 . . . . 51 GLU CB . 25494 1 273 . 1 1 39 39 GLU N N 15 121.149 0.039 . 1 . . . . 51 GLU N . 25494 1 274 . 1 1 40 40 GLY H H 1 8.502 0.004 . 1 . . . . 52 GLY H . 25494 1 275 . 1 1 40 40 GLY HA2 H 1 4.211 0.000 . 2 . . . . 52 GLY HA2 . 25494 1 276 . 1 1 40 40 GLY HA3 H 1 3.922 0.000 . 2 . . . . 52 GLY HA3 . 25494 1 277 . 1 1 40 40 GLY C C 13 173.471 0.000 . 1 . . . . 52 GLY C . 25494 1 278 . 1 1 40 40 GLY CA C 13 45.178 0.000 . 1 . . . . 52 GLY CA . 25494 1 279 . 1 1 40 40 GLY N N 15 110.104 0.043 . 1 . . . . 52 GLY N . 25494 1 280 . 1 1 41 41 ASN H H 1 8.477 0.004 . 1 . . . . 53 ASN H . 25494 1 281 . 1 1 41 41 ASN HA H 1 4.828 0.000 . 1 . . . . 53 ASN HA . 25494 1 282 . 1 1 41 41 ASN HB2 H 1 2.800 0.000 . 1 . . . . 53 ASN QB . 25494 1 283 . 1 1 41 41 ASN HB3 H 1 2.800 0.000 . 1 . . . . 53 ASN QB . 25494 1 284 . 1 1 41 41 ASN C C 13 175.190 0.000 . 1 . . . . 53 ASN C . 25494 1 285 . 1 1 41 41 ASN CA C 13 52.863 0.000 . 1 . . . . 53 ASN CA . 25494 1 286 . 1 1 41 41 ASN CB C 13 38.383 0.000 . 1 . . . . 53 ASN CB . 25494 1 287 . 1 1 41 41 ASN N N 15 118.226 0.038 . 1 . . . . 53 ASN N . 25494 1 288 . 1 1 42 42 SER H H 1 7.812 0.004 . 1 . . . . 54 SER H . 25494 1 289 . 1 1 42 42 SER HA H 1 4.827 0.000 . 1 . . . . 54 SER HA . 25494 1 290 . 1 1 42 42 SER HB2 H 1 4.087 0.000 . 2 . . . . 54 SER HB2 . 25494 1 291 . 1 1 42 42 SER HB3 H 1 3.880 0.000 . 2 . . . . 54 SER HB3 . 25494 1 292 . 1 1 42 42 SER CA C 13 56.613 0.000 . 1 . . . . 54 SER CA . 25494 1 293 . 1 1 42 42 SER CB C 13 63.985 0.000 . 1 . . . . 54 SER CB . 25494 1 294 . 1 1 42 42 SER N N 15 116.556 0.040 . 1 . . . . 54 SER N . 25494 1 295 . 1 1 43 43 PRO C C 13 177.070 0.000 . 1 . . . . 55 PRO C . 25494 1 296 . 1 1 44 44 GLU H H 1 7.603 0.004 . 1 . . . . 56 GLU H . 25494 1 297 . 1 1 44 44 GLU HA H 1 4.823 0.000 . 1 . . . . 56 GLU HA . 25494 1 298 . 1 1 44 44 GLU HB2 H 1 2.039 0.000 . 1 . . . . 56 GLU QB . 25494 1 299 . 1 1 44 44 GLU HB3 H 1 2.039 0.000 . 1 . . . . 56 GLU QB . 25494 1 300 . 1 1 44 44 GLU C C 13 175.554 0.000 . 1 . . . . 56 GLU C . 25494 1 301 . 1 1 44 44 GLU CA C 13 55.045 0.000 . 1 . . . . 56 GLU CA . 25494 1 302 . 1 1 44 44 GLU CB C 13 30.615 0.000 . 1 . . . . 56 GLU CB . 25494 1 303 . 1 1 44 44 GLU N N 15 115.633 0.038 . 1 . . . . 56 GLU N . 25494 1 304 . 1 1 45 45 ARG H H 1 8.619 0.006 . 1 . . . . 57 ARG H . 25494 1 305 . 1 1 45 45 ARG HA H 1 4.499 0.000 . 1 . . . . 57 ARG HA . 25494 1 306 . 1 1 45 45 ARG HB2 H 1 1.544 0.000 . 2 . . . . 57 ARG HB2 . 25494 1 307 . 1 1 45 45 ARG HB3 H 1 1.542 0.000 . 2 . . . . 57 ARG HB3 . 25494 1 308 . 1 1 45 45 ARG C C 13 173.885 0.000 . 1 . . . . 57 ARG C . 25494 1 309 . 1 1 45 45 ARG CA C 13 53.648 0.000 . 1 . . . . 57 ARG CA . 25494 1 310 . 1 1 45 45 ARG CB C 13 33.774 0.000 . 1 . . . . 57 ARG CB . 25494 1 311 . 1 1 45 45 ARG N N 15 121.433 0.034 . 1 . . . . 57 ARG N . 25494 1 312 . 1 1 46 46 ILE H H 1 8.476 0.006 . 1 . . . . 58 ILE H . 25494 1 313 . 1 1 46 46 ILE HA H 1 5.157 0.003 . 1 . . . . 58 ILE HA . 25494 1 314 . 1 1 46 46 ILE HB H 1 1.684 0.000 . 1 . . . . 58 ILE HB . 25494 1 315 . 1 1 46 46 ILE HG12 H 1 0.745 0.000 . 1 . . . . 58 ILE QG1 . 25494 1 316 . 1 1 46 46 ILE HG13 H 1 0.745 0.000 . 1 . . . . 58 ILE QG1 . 25494 1 317 . 1 1 46 46 ILE C C 13 177.072 0.000 . 1 . . . . 58 ILE C . 25494 1 318 . 1 1 46 46 ILE CA C 13 59.102 0.112 . 1 . . . . 58 ILE CA . 25494 1 319 . 1 1 46 46 ILE CB C 13 33.552 0.000 . 1 . . . . 58 ILE CB . 25494 1 320 . 1 1 46 46 ILE N N 15 121.460 0.042 . 1 . . . . 58 ILE N . 25494 1 321 . 1 1 47 47 ILE H H 1 9.482 0.008 . 1 . . . . 59 ILE H . 25494 1 322 . 1 1 47 47 ILE HA H 1 4.909 0.014 . 1 . . . . 59 ILE HA . 25494 1 323 . 1 1 47 47 ILE HB H 1 1.817 0.000 . 1 . . . . 59 ILE HB . 25494 1 324 . 1 1 47 47 ILE HG12 H 1 0.757 0.000 . 1 . . . . 59 ILE QG1 . 25494 1 325 . 1 1 47 47 ILE HG13 H 1 0.757 0.000 . 1 . . . . 59 ILE QG1 . 25494 1 326 . 1 1 47 47 ILE C C 13 174.774 0.000 . 1 . . . . 59 ILE C . 25494 1 327 . 1 1 47 47 ILE CA C 13 59.896 0.065 . 1 . . . . 59 ILE CA . 25494 1 328 . 1 1 47 47 ILE CB C 13 39.432 0.000 . 1 . . . . 59 ILE CB . 25494 1 329 . 1 1 47 47 ILE N N 15 130.540 0.055 . 1 . . . . 59 ILE N . 25494 1 330 . 1 1 48 48 THR H H 1 9.307 0.007 . 1 . . . . 60 THR H . 25494 1 331 . 1 1 48 48 THR HA H 1 5.057 0.016 . 1 . . . . 60 THR HA . 25494 1 332 . 1 1 48 48 THR HB H 1 3.927 0.011 . 1 . . . . 60 THR HB . 25494 1 333 . 1 1 48 48 THR C C 13 173.802 0.000 . 1 . . . . 60 THR C . 25494 1 334 . 1 1 48 48 THR CA C 13 62.462 0.097 . 1 . . . . 60 THR CA . 25494 1 335 . 1 1 48 48 THR CB C 13 69.695 0.086 . 1 . . . . 60 THR CB . 25494 1 336 . 1 1 48 48 THR N N 15 123.843 0.056 . 1 . . . . 60 THR N . 25494 1 337 . 1 1 49 49 LEU H H 1 9.562 0.005 . 1 . . . . 61 LEU H . 25494 1 338 . 1 1 49 49 LEU HA H 1 5.019 0.000 . 1 . . . . 61 LEU HA . 25494 1 339 . 1 1 49 49 LEU HB2 H 1 1.735 0.000 . 1 . . . . 61 LEU QB . 25494 1 340 . 1 1 49 49 LEU HB3 H 1 1.735 0.000 . 1 . . . . 61 LEU QB . 25494 1 341 . 1 1 49 49 LEU C C 13 175.347 0.000 . 1 . . . . 61 LEU C . 25494 1 342 . 1 1 49 49 LEU CA C 13 53.714 0.000 . 1 . . . . 61 LEU CA . 25494 1 343 . 1 1 49 49 LEU CB C 13 44.782 0.000 . 1 . . . . 61 LEU CB . 25494 1 344 . 1 1 49 49 LEU N N 15 128.477 0.049 . 1 . . . . 61 LEU N . 25494 1 345 . 1 1 50 50 THR H H 1 8.731 0.004 . 1 . . . . 62 THR H . 25494 1 346 . 1 1 50 50 THR HA H 1 5.345 0.021 . 1 . . . . 62 THR HA . 25494 1 347 . 1 1 50 50 THR HB H 1 4.007 0.008 . 1 . . . . 62 THR HB . 25494 1 348 . 1 1 50 50 THR C C 13 173.184 0.000 . 1 . . . . 62 THR C . 25494 1 349 . 1 1 50 50 THR CA C 13 60.673 0.098 . 1 . . . . 62 THR CA . 25494 1 350 . 1 1 50 50 THR CB C 13 72.059 0.035 . 1 . . . . 62 THR CB . 25494 1 351 . 1 1 50 50 THR N N 15 115.197 0.044 . 1 . . . . 62 THR N . 25494 1 352 . 1 1 51 51 GLY H H 1 8.247 0.005 . 1 . . . . 63 GLY H . 25494 1 353 . 1 1 51 51 GLY HA2 H 1 4.012 0.000 . 1 . . . . 63 GLY QA . 25494 1 354 . 1 1 51 51 GLY HA3 H 1 4.012 0.000 . 1 . . . . 63 GLY QA . 25494 1 355 . 1 1 51 51 GLY CA C 13 44.769 0.000 . 1 . . . . 63 GLY CA . 25494 1 356 . 1 1 51 51 GLY N N 15 110.946 0.038 . 1 . . . . 63 GLY N . 25494 1 357 . 1 1 52 52 PRO C C 13 177.519 0.000 . 1 . . . . 64 PRO C . 25494 1 358 . 1 1 53 53 THR H H 1 8.849 0.007 . 1 . . . . 65 THR H . 25494 1 359 . 1 1 53 53 THR HA H 1 3.397 0.000 . 1 . . . . 65 THR HA . 25494 1 360 . 1 1 53 53 THR HB H 1 3.848 0.000 . 1 . . . . 65 THR HB . 25494 1 361 . 1 1 53 53 THR C C 13 175.184 0.000 . 1 . . . . 65 THR C . 25494 1 362 . 1 1 53 53 THR CA C 13 67.187 0.053 . 1 . . . . 65 THR CA . 25494 1 363 . 1 1 53 53 THR CB C 13 68.147 0.059 . 1 . . . . 65 THR CB . 25494 1 364 . 1 1 53 53 THR N N 15 119.562 0.060 . 1 . . . . 65 THR N . 25494 1 365 . 1 1 54 54 ASN H H 1 8.836 0.006 . 1 . . . . 66 ASN H . 25494 1 366 . 1 1 54 54 ASN HA H 1 4.293 0.011 . 1 . . . . 66 ASN HA . 25494 1 367 . 1 1 54 54 ASN HB2 H 1 2.773 0.000 . 1 . . . . 66 ASN QB . 25494 1 368 . 1 1 54 54 ASN HB3 H 1 2.773 0.000 . 1 . . . . 66 ASN QB . 25494 1 369 . 1 1 54 54 ASN C C 13 177.729 0.000 . 1 . . . . 66 ASN C . 25494 1 370 . 1 1 54 54 ASN CA C 13 56.557 0.016 . 1 . . . . 66 ASN CA . 25494 1 371 . 1 1 54 54 ASN CB C 13 37.293 0.000 . 1 . . . . 66 ASN CB . 25494 1 372 . 1 1 54 54 ASN N N 15 115.918 0.053 . 1 . . . . 66 ASN N . 25494 1 373 . 1 1 55 55 ALA H H 1 7.090 0.006 . 1 . . . . 67 ALA H . 25494 1 374 . 1 1 55 55 ALA HA H 1 4.387 0.000 . 1 . . . . 67 ALA HA . 25494 1 375 . 1 1 55 55 ALA HB1 H 1 1.383 0.000 . 1 . . . . 67 ALA QB . 25494 1 376 . 1 1 55 55 ALA HB2 H 1 1.383 0.000 . 1 . . . . 67 ALA QB . 25494 1 377 . 1 1 55 55 ALA HB3 H 1 1.383 0.000 . 1 . . . . 67 ALA QB . 25494 1 378 . 1 1 55 55 ALA C C 13 179.571 0.000 . 1 . . . . 67 ALA C . 25494 1 379 . 1 1 55 55 ALA CA C 13 54.847 0.000 . 1 . . . . 67 ALA CA . 25494 1 380 . 1 1 55 55 ALA CB C 13 18.633 0.000 . 1 . . . . 67 ALA CB . 25494 1 381 . 1 1 55 55 ALA N N 15 123.202 0.041 . 1 . . . . 67 ALA N . 25494 1 382 . 1 1 56 56 ILE H H 1 7.834 0.010 . 1 . . . . 68 ILE H . 25494 1 383 . 1 1 56 56 ILE HA H 1 3.274 0.000 . 1 . . . . 68 ILE HA . 25494 1 384 . 1 1 56 56 ILE HB H 1 1.770 0.000 . 1 . . . . 68 ILE HB . 25494 1 385 . 1 1 56 56 ILE C C 13 178.051 0.000 . 1 . . . . 68 ILE C . 25494 1 386 . 1 1 56 56 ILE CA C 13 64.636 0.008 . 1 . . . . 68 ILE CA . 25494 1 387 . 1 1 56 56 ILE CB C 13 36.721 0.000 . 1 . . . . 68 ILE CB . 25494 1 388 . 1 1 56 56 ILE N N 15 118.175 0.042 . 1 . . . . 68 ILE N . 25494 1 389 . 1 1 57 57 PHE H H 1 8.270 0.004 . 1 . . . . 69 PHE H . 25494 1 390 . 1 1 57 57 PHE HA H 1 4.489 0.000 . 1 . . . . 69 PHE HA . 25494 1 391 . 1 1 57 57 PHE HB2 H 1 3.216 0.000 . 1 . . . . 69 PHE QB . 25494 1 392 . 1 1 57 57 PHE HB3 H 1 3.216 0.000 . 1 . . . . 69 PHE QB . 25494 1 393 . 1 1 57 57 PHE C C 13 179.245 0.000 . 1 . . . . 69 PHE C . 25494 1 394 . 1 1 57 57 PHE CA C 13 60.095 0.000 . 1 . . . . 69 PHE CA . 25494 1 395 . 1 1 57 57 PHE CB C 13 36.515 0.000 . 1 . . . . 69 PHE CB . 25494 1 396 . 1 1 57 57 PHE N N 15 117.253 0.046 . 1 . . . . 69 PHE N . 25494 1 397 . 1 1 58 58 LYS H H 1 7.898 0.006 . 1 . . . . 70 LYS H . 25494 1 398 . 1 1 58 58 LYS HA H 1 4.314 0.000 . 1 . . . . 70 LYS HA . 25494 1 399 . 1 1 58 58 LYS HB2 H 1 1.919 0.000 . 1 . . . . 70 LYS QB . 25494 1 400 . 1 1 58 58 LYS HB3 H 1 1.919 0.000 . 1 . . . . 70 LYS QB . 25494 1 401 . 1 1 58 58 LYS C C 13 178.372 0.000 . 1 . . . . 70 LYS C . 25494 1 402 . 1 1 58 58 LYS CA C 13 59.765 0.000 . 1 . . . . 70 LYS CA . 25494 1 403 . 1 1 58 58 LYS CB C 13 32.206 0.000 . 1 . . . . 70 LYS CB . 25494 1 404 . 1 1 58 58 LYS N N 15 122.819 0.059 . 1 . . . . 70 LYS N . 25494 1 405 . 1 1 59 59 ALA H H 1 8.351 0.005 . 1 . . . . 71 ALA H . 25494 1 406 . 1 1 59 59 ALA HA H 1 4.470 0.000 . 1 . . . . 71 ALA HA . 25494 1 407 . 1 1 59 59 ALA HB1 H 1 1.360 0.000 . 1 . . . . 71 ALA QB . 25494 1 408 . 1 1 59 59 ALA HB2 H 1 1.360 0.000 . 1 . . . . 71 ALA QB . 25494 1 409 . 1 1 59 59 ALA HB3 H 1 1.360 0.000 . 1 . . . . 71 ALA QB . 25494 1 410 . 1 1 59 59 ALA C C 13 179.690 0.000 . 1 . . . . 71 ALA C . 25494 1 411 . 1 1 59 59 ALA CA C 13 55.651 0.000 . 1 . . . . 71 ALA CA . 25494 1 412 . 1 1 59 59 ALA CB C 13 17.530 0.000 . 1 . . . . 71 ALA CB . 25494 1 413 . 1 1 59 59 ALA N N 15 121.963 0.055 . 1 . . . . 71 ALA N . 25494 1 414 . 1 1 60 60 PHE H H 1 8.947 0.004 . 1 . . . . 72 PHE H . 25494 1 415 . 1 1 60 60 PHE HA H 1 4.039 0.000 . 1 . . . . 72 PHE HA . 25494 1 416 . 1 1 60 60 PHE HB2 H 1 3.193 0.000 . 2 . . . . 72 PHE HB2 . 25494 1 417 . 1 1 60 60 PHE HB3 H 1 3.009 0.000 . 2 . . . . 72 PHE HB3 . 25494 1 418 . 1 1 60 60 PHE C C 13 177.143 0.000 . 1 . . . . 72 PHE C . 25494 1 419 . 1 1 60 60 PHE CA C 13 61.332 0.000 . 1 . . . . 72 PHE CA . 25494 1 420 . 1 1 60 60 PHE CB C 13 38.982 0.000 . 1 . . . . 72 PHE CB . 25494 1 421 . 1 1 60 60 PHE N N 15 116.331 0.032 . 1 . . . . 72 PHE N . 25494 1 422 . 1 1 61 61 ALA H H 1 7.790 0.005 . 1 . . . . 73 ALA H . 25494 1 423 . 1 1 61 61 ALA HA H 1 4.016 0.000 . 1 . . . . 73 ALA HA . 25494 1 424 . 1 1 61 61 ALA HB1 H 1 1.588 0.000 . 1 . . . . 73 ALA QB . 25494 1 425 . 1 1 61 61 ALA HB2 H 1 1.588 0.000 . 1 . . . . 73 ALA QB . 25494 1 426 . 1 1 61 61 ALA HB3 H 1 1.588 0.000 . 1 . . . . 73 ALA QB . 25494 1 427 . 1 1 61 61 ALA C C 13 179.915 0.000 . 1 . . . . 73 ALA C . 25494 1 428 . 1 1 61 61 ALA CA C 13 55.595 0.000 . 1 . . . . 73 ALA CA . 25494 1 429 . 1 1 61 61 ALA CB C 13 18.060 0.000 . 1 . . . . 73 ALA CB . 25494 1 430 . 1 1 61 61 ALA N N 15 120.413 0.039 . 1 . . . . 73 ALA N . 25494 1 431 . 1 1 62 62 MET H H 1 7.816 0.005 . 1 . . . . 74 MET H . 25494 1 432 . 1 1 62 62 MET HA H 1 3.924 0.000 . 1 . . . . 74 MET HA . 25494 1 433 . 1 1 62 62 MET HB2 H 1 2.158 0.000 . 1 . . . . 74 MET QB . 25494 1 434 . 1 1 62 62 MET HB3 H 1 2.158 0.000 . 1 . . . . 74 MET QB . 25494 1 435 . 1 1 62 62 MET C C 13 179.548 0.000 . 1 . . . . 74 MET C . 25494 1 436 . 1 1 62 62 MET CA C 13 59.627 0.000 . 1 . . . . 74 MET CA . 25494 1 437 . 1 1 62 62 MET CB C 13 34.232 0.000 . 1 . . . . 74 MET CB . 25494 1 438 . 1 1 62 62 MET N N 15 116.237 0.044 . 1 . . . . 74 MET N . 25494 1 439 . 1 1 63 63 ILE H H 1 8.449 0.006 . 1 . . . . 75 ILE H . 25494 1 440 . 1 1 63 63 ILE HA H 1 4.001 0.000 . 1 . . . . 75 ILE HA . 25494 1 441 . 1 1 63 63 ILE HB H 1 1.965 0.000 . 1 . . . . 75 ILE HB . 25494 1 442 . 1 1 63 63 ILE C C 13 176.907 0.000 . 1 . . . . 75 ILE C . 25494 1 443 . 1 1 63 63 ILE CA C 13 66.286 0.000 . 1 . . . . 75 ILE CA . 25494 1 444 . 1 1 63 63 ILE CB C 13 38.188 0.000 . 1 . . . . 75 ILE CB . 25494 1 445 . 1 1 63 63 ILE N N 15 122.118 0.051 . 1 . . . . 75 ILE N . 25494 1 446 . 1 1 64 64 ILE H H 1 8.404 0.003 . 1 . . . . 76 ILE H . 25494 1 447 . 1 1 64 64 ILE HA H 1 3.483 0.000 . 1 . . . . 76 ILE HA . 25494 1 448 . 1 1 64 64 ILE HB H 1 1.908 0.000 . 1 . . . . 76 ILE HB . 25494 1 449 . 1 1 64 64 ILE C C 13 177.452 0.000 . 1 . . . . 76 ILE C . 25494 1 450 . 1 1 64 64 ILE CA C 13 65.700 0.000 . 1 . . . . 76 ILE CA . 25494 1 451 . 1 1 64 64 ILE CB C 13 36.977 0.000 . 1 . . . . 76 ILE CB . 25494 1 452 . 1 1 64 64 ILE N N 15 120.400 0.047 . 1 . . . . 76 ILE N . 25494 1 453 . 1 1 65 65 ASP H H 1 8.018 0.004 . 1 . . . . 77 ASP H . 25494 1 454 . 1 1 65 65 ASP HA H 1 4.381 0.000 . 1 . . . . 77 ASP HA . 25494 1 455 . 1 1 65 65 ASP HB2 H 1 2.806 0.000 . 1 . . . . 77 ASP QB . 25494 1 456 . 1 1 65 65 ASP HB3 H 1 2.806 0.000 . 1 . . . . 77 ASP QB . 25494 1 457 . 1 1 65 65 ASP C C 13 179.140 0.000 . 1 . . . . 77 ASP C . 25494 1 458 . 1 1 65 65 ASP CA C 13 57.652 0.000 . 1 . . . . 77 ASP CA . 25494 1 459 . 1 1 65 65 ASP CB C 13 40.287 0.000 . 1 . . . . 77 ASP CB . 25494 1 460 . 1 1 65 65 ASP N N 15 118.881 0.034 . 1 . . . . 77 ASP N . 25494 1 461 . 1 1 66 66 LYS H H 1 7.599 0.004 . 1 . . . . 78 LYS H . 25494 1 462 . 1 1 66 66 LYS HA H 1 4.139 0.000 . 1 . . . . 78 LYS HA . 25494 1 463 . 1 1 66 66 LYS HB2 H 1 1.954 0.000 . 1 . . . . 78 LYS QB . 25494 1 464 . 1 1 66 66 LYS HB3 H 1 1.954 0.000 . 1 . . . . 78 LYS QB . 25494 1 465 . 1 1 66 66 LYS C C 13 178.905 0.000 . 1 . . . . 78 LYS C . 25494 1 466 . 1 1 66 66 LYS CA C 13 57.599 0.000 . 1 . . . . 78 LYS CA . 25494 1 467 . 1 1 66 66 LYS CB C 13 30.942 0.000 . 1 . . . . 78 LYS CB . 25494 1 468 . 1 1 66 66 LYS N N 15 120.046 0.040 . 1 . . . . 78 LYS N . 25494 1 469 . 1 1 67 67 LEU H H 1 8.269 0.006 . 1 . . . . 79 LEU H . 25494 1 470 . 1 1 67 67 LEU HA H 1 4.137 0.000 . 1 . . . . 79 LEU HA . 25494 1 471 . 1 1 67 67 LEU HB2 H 1 1.942 0.000 . 1 . . . . 79 LEU QB . 25494 1 472 . 1 1 67 67 LEU HB3 H 1 1.942 0.000 . 1 . . . . 79 LEU QB . 25494 1 473 . 1 1 67 67 LEU C C 13 180.422 0.000 . 1 . . . . 79 LEU C . 25494 1 474 . 1 1 67 67 LEU CA C 13 57.942 0.000 . 1 . . . . 79 LEU CA . 25494 1 475 . 1 1 67 67 LEU CB C 13 41.481 0.000 . 1 . . . . 79 LEU CB . 25494 1 476 . 1 1 67 67 LEU N N 15 120.082 0.033 . 1 . . . . 79 LEU N . 25494 1 477 . 1 1 68 68 GLU H H 1 8.550 0.004 . 1 . . . . 80 GLU H . 25494 1 478 . 1 1 68 68 GLU HA H 1 4.159 0.000 . 1 . . . . 80 GLU HA . 25494 1 479 . 1 1 68 68 GLU HB2 H 1 2.180 0.000 . 1 . . . . 80 GLU QB . 25494 1 480 . 1 1 68 68 GLU HB3 H 1 2.180 0.000 . 1 . . . . 80 GLU QB . 25494 1 481 . 1 1 68 68 GLU C C 13 177.976 0.000 . 1 . . . . 80 GLU C . 25494 1 482 . 1 1 68 68 GLU CA C 13 58.352 0.000 . 1 . . . . 80 GLU CA . 25494 1 483 . 1 1 68 68 GLU CB C 13 28.667 0.000 . 1 . . . . 80 GLU CB . 25494 1 484 . 1 1 68 68 GLU N N 15 119.134 0.060 . 1 . . . . 80 GLU N . 25494 1 485 . 1 1 69 69 GLU H H 1 8.102 0.004 . 1 . . . . 81 GLU H . 25494 1 486 . 1 1 69 69 GLU HA H 1 4.096 0.000 . 1 . . . . 81 GLU HA . 25494 1 487 . 1 1 69 69 GLU HB2 H 1 2.203 0.000 . 1 . . . . 81 GLU QB . 25494 1 488 . 1 1 69 69 GLU HB3 H 1 2.203 0.000 . 1 . . . . 81 GLU QB . 25494 1 489 . 1 1 69 69 GLU C C 13 178.820 0.000 . 1 . . . . 81 GLU C . 25494 1 490 . 1 1 69 69 GLU CA C 13 59.247 0.000 . 1 . . . . 81 GLU CA . 25494 1 491 . 1 1 69 69 GLU CB C 13 29.367 0.000 . 1 . . . . 81 GLU CB . 25494 1 492 . 1 1 69 69 GLU N N 15 120.651 0.033 . 1 . . . . 81 GLU N . 25494 1 493 . 1 1 70 70 ASP H H 1 7.928 0.004 . 1 . . . . 82 ASP H . 25494 1 494 . 1 1 70 70 ASP HA H 1 4.563 0.000 . 1 . . . . 82 ASP HA . 25494 1 495 . 1 1 70 70 ASP HB2 H 1 2.777 0.000 . 1 . . . . 82 ASP QB . 25494 1 496 . 1 1 70 70 ASP HB3 H 1 2.777 0.000 . 1 . . . . 82 ASP QB . 25494 1 497 . 1 1 70 70 ASP C C 13 178.595 0.000 . 1 . . . . 82 ASP C . 25494 1 498 . 1 1 70 70 ASP CA C 13 56.631 0.000 . 1 . . . . 82 ASP CA . 25494 1 499 . 1 1 70 70 ASP CB C 13 40.799 0.000 . 1 . . . . 82 ASP CB . 25494 1 500 . 1 1 70 70 ASP N N 15 119.234 0.035 . 1 . . . . 82 ASP N . 25494 1 501 . 1 1 71 71 ILE H H 1 7.941 0.005 . 1 . . . . 83 ILE H . 25494 1 502 . 1 1 71 71 ILE HA H 1 3.890 0.015 . 1 . . . . 83 ILE HA . 25494 1 503 . 1 1 71 71 ILE HB H 1 1.963 0.000 . 1 . . . . 83 ILE HB . 25494 1 504 . 1 1 71 71 ILE C C 13 178.184 0.000 . 1 . . . . 83 ILE C . 25494 1 505 . 1 1 71 71 ILE CA C 13 64.495 0.000 . 1 . . . . 83 ILE CA . 25494 1 506 . 1 1 71 71 ILE CB C 13 38.293 0.000 . 1 . . . . 83 ILE CB . 25494 1 507 . 1 1 71 71 ILE N N 15 121.518 0.044 . 1 . . . . 83 ILE N . 25494 1 508 . 1 1 72 72 ASN H H 1 8.426 0.005 . 1 . . . . 84 ASN H . 25494 1 509 . 1 1 72 72 ASN HA H 1 4.598 0.000 . 1 . . . . 84 ASN HA . 25494 1 510 . 1 1 72 72 ASN HB2 H 1 2.883 0.000 . 1 . . . . 84 ASN QB . 25494 1 511 . 1 1 72 72 ASN HB3 H 1 2.883 0.000 . 1 . . . . 84 ASN QB . 25494 1 512 . 1 1 72 72 ASN C C 13 177.218 0.000 . 1 . . . . 84 ASN C . 25494 1 513 . 1 1 72 72 ASN CA C 13 55.383 0.000 . 1 . . . . 84 ASN CA . 25494 1 514 . 1 1 72 72 ASN CB C 13 38.535 0.000 . 1 . . . . 84 ASN CB . 25494 1 515 . 1 1 72 72 ASN N N 15 119.462 0.048 . 1 . . . . 84 ASN N . 25494 1 516 . 1 1 73 73 SER H H 1 8.221 0.006 . 1 . . . . 85 SER H . 25494 1 517 . 1 1 73 73 SER HA H 1 4.403 0.000 . 1 . . . . 85 SER HA . 25494 1 518 . 1 1 73 73 SER HB2 H 1 4.034 0.000 . 1 . . . . 85 SER QB . 25494 1 519 . 1 1 73 73 SER HB3 H 1 4.034 0.000 . 1 . . . . 85 SER QB . 25494 1 520 . 1 1 73 73 SER C C 13 175.323 0.000 . 1 . . . . 85 SER C . 25494 1 521 . 1 1 73 73 SER CA C 13 60.300 0.000 . 1 . . . . 85 SER CA . 25494 1 522 . 1 1 73 73 SER CB C 13 63.418 0.000 . 1 . . . . 85 SER CB . 25494 1 523 . 1 1 73 73 SER N N 15 115.307 0.052 . 1 . . . . 85 SER N . 25494 1 524 . 1 1 74 74 SER H H 1 7.981 0.007 . 1 . . . . 86 SER H . 25494 1 525 . 1 1 74 74 SER HA H 1 4.540 0.000 . 1 . . . . 86 SER HA . 25494 1 526 . 1 1 74 74 SER HB2 H 1 3.992 0.000 . 1 . . . . 86 SER QB . 25494 1 527 . 1 1 74 74 SER HB3 H 1 3.992 0.000 . 1 . . . . 86 SER QB . 25494 1 528 . 1 1 74 74 SER C C 13 174.830 0.000 . 1 . . . . 86 SER C . 25494 1 529 . 1 1 74 74 SER CA C 13 59.279 0.000 . 1 . . . . 86 SER CA . 25494 1 530 . 1 1 74 74 SER CB C 13 63.897 0.000 . 1 . . . . 86 SER CB . 25494 1 531 . 1 1 74 74 SER N N 15 116.532 0.059 . 1 . . . . 86 SER N . 25494 1 532 . 1 1 75 75 MET H H 1 7.954 0.006 . 1 . . . . 87 MET H . 25494 1 533 . 1 1 75 75 MET HA H 1 4.615 0.000 . 1 . . . . 87 MET HA . 25494 1 534 . 1 1 75 75 MET HB2 H 1 2.647 0.000 . 1 . . . . 87 MET HB2 . 25494 1 535 . 1 1 75 75 MET C C 13 176.740 0.000 . 1 . . . . 87 MET C . 25494 1 536 . 1 1 75 75 MET CA C 13 55.658 0.000 . 1 . . . . 87 MET CA . 25494 1 537 . 1 1 75 75 MET CB C 13 32.648 0.000 . 1 . . . . 87 MET CB . 25494 1 538 . 1 1 75 75 MET N N 15 121.435 0.042 . 1 . . . . 87 MET N . 25494 1 539 . 1 1 76 76 THR H H 1 8.098 0.005 . 1 . . . . 88 THR H . 25494 1 540 . 1 1 76 76 THR HA H 1 4.313 0.000 . 1 . . . . 88 THR HA . 25494 1 541 . 1 1 76 76 THR HB H 1 4.271 0.000 . 1 . . . . 88 THR HB . 25494 1 542 . 1 1 76 76 THR C C 13 174.683 0.000 . 1 . . . . 88 THR C . 25494 1 543 . 1 1 76 76 THR CA C 13 62.916 0.000 . 1 . . . . 88 THR CA . 25494 1 544 . 1 1 76 76 THR CB C 13 69.574 0.079 . 1 . . . . 88 THR CB . 25494 1 545 . 1 1 76 76 THR N N 15 114.534 0.039 . 1 . . . . 88 THR N . 25494 1 546 . 1 1 77 77 ASN H H 1 8.426 0.004 . 1 . . . . 89 ASN H . 25494 1 547 . 1 1 77 77 ASN HA H 1 4.786 0.004 . 1 . . . . 89 ASN HA . 25494 1 548 . 1 1 77 77 ASN HB2 H 1 2.850 0.000 . 1 . . . . 89 ASN QB . 25494 1 549 . 1 1 77 77 ASN HB3 H 1 2.850 0.000 . 1 . . . . 89 ASN QB . 25494 1 550 . 1 1 77 77 ASN C C 13 175.296 0.000 . 1 . . . . 89 ASN C . 25494 1 551 . 1 1 77 77 ASN CA C 13 53.398 0.060 . 1 . . . . 89 ASN CA . 25494 1 552 . 1 1 77 77 ASN CB C 13 38.698 0.000 . 1 . . . . 89 ASN CB . 25494 1 553 . 1 1 77 77 ASN N N 15 119.937 0.042 . 1 . . . . 89 ASN N . 25494 1 554 . 1 1 78 78 SER H H 1 8.186 0.004 . 1 . . . . 90 SER H . 25494 1 555 . 1 1 78 78 SER HA H 1 4.544 0.000 . 1 . . . . 90 SER HA . 25494 1 556 . 1 1 78 78 SER HB2 H 1 3.914 0.000 . 1 . . . . 90 SER QB . 25494 1 557 . 1 1 78 78 SER HB3 H 1 3.914 0.000 . 1 . . . . 90 SER QB . 25494 1 558 . 1 1 78 78 SER C C 13 175.078 0.000 . 1 . . . . 90 SER C . 25494 1 559 . 1 1 78 78 SER CA C 13 58.723 0.000 . 1 . . . . 90 SER CA . 25494 1 560 . 1 1 78 78 SER CB C 13 64.028 0.000 . 1 . . . . 90 SER CB . 25494 1 561 . 1 1 78 78 SER N N 15 115.442 0.043 . 1 . . . . 90 SER N . 25494 1 562 . 1 1 79 79 THR H H 1 8.218 0.004 . 1 . . . . 91 THR H . 25494 1 563 . 1 1 79 79 THR HA H 1 4.435 0.000 . 1 . . . . 91 THR HA . 25494 1 564 . 1 1 79 79 THR HB H 1 4.396 0.001 . 1 . . . . 91 THR HB . 25494 1 565 . 1 1 79 79 THR C C 13 174.739 0.000 . 1 . . . . 91 THR C . 25494 1 566 . 1 1 79 79 THR CA C 13 61.917 0.000 . 1 . . . . 91 THR CA . 25494 1 567 . 1 1 79 79 THR CB C 13 69.681 0.038 . 1 . . . . 91 THR CB . 25494 1 568 . 1 1 79 79 THR N N 15 114.767 0.040 . 1 . . . . 91 THR N . 25494 1 569 . 1 1 80 80 ALA H H 1 8.248 0.003 . 1 . . . . 92 ALA H . 25494 1 570 . 1 1 80 80 ALA HA H 1 4.277 0.005 . 1 . . . . 92 ALA HA . 25494 1 571 . 1 1 80 80 ALA HB1 H 1 1.416 0.000 . 1 . . . . 92 ALA QB . 25494 1 572 . 1 1 80 80 ALA HB2 H 1 1.416 0.000 . 1 . . . . 92 ALA QB . 25494 1 573 . 1 1 80 80 ALA HB3 H 1 1.416 0.000 . 1 . . . . 92 ALA QB . 25494 1 574 . 1 1 80 80 ALA C C 13 177.792 0.000 . 1 . . . . 92 ALA C . 25494 1 575 . 1 1 80 80 ALA CA C 13 53.155 0.065 . 1 . . . . 92 ALA CA . 25494 1 576 . 1 1 80 80 ALA CB C 13 19.028 0.000 . 1 . . . . 92 ALA CB . 25494 1 577 . 1 1 80 80 ALA N N 15 125.472 0.036 . 1 . . . . 92 ALA N . 25494 1 578 . 1 1 81 81 ALA H H 1 8.173 0.010 . 1 . . . . 93 ALA H . 25494 1 579 . 1 1 81 81 ALA HA H 1 4.271 0.000 . 1 . . . . 93 ALA HA . 25494 1 580 . 1 1 81 81 ALA HB1 H 1 1.409 0.000 . 1 . . . . 93 ALA QB . 25494 1 581 . 1 1 81 81 ALA HB2 H 1 1.409 0.000 . 1 . . . . 93 ALA QB . 25494 1 582 . 1 1 81 81 ALA HB3 H 1 1.409 0.000 . 1 . . . . 93 ALA QB . 25494 1 583 . 1 1 81 81 ALA C C 13 177.714 0.000 . 1 . . . . 93 ALA C . 25494 1 584 . 1 1 81 81 ALA CA C 13 52.965 0.000 . 1 . . . . 93 ALA CA . 25494 1 585 . 1 1 81 81 ALA CB C 13 19.253 0.000 . 1 . . . . 93 ALA CB . 25494 1 586 . 1 1 81 81 ALA N N 15 121.632 0.045 . 1 . . . . 93 ALA N . 25494 1 587 . 1 1 82 82 SER H H 1 7.915 0.003 . 1 . . . . 94 SER H . 25494 1 588 . 1 1 82 82 SER HA H 1 4.470 0.000 . 1 . . . . 94 SER HA . 25494 1 589 . 1 1 82 82 SER HB2 H 1 3.838 0.000 . 1 . . . . 94 SER QB . 25494 1 590 . 1 1 82 82 SER HB3 H 1 3.838 0.000 . 1 . . . . 94 SER QB . 25494 1 591 . 1 1 82 82 SER C C 13 173.811 0.000 . 1 . . . . 94 SER C . 25494 1 592 . 1 1 82 82 SER CA C 13 57.919 0.000 . 1 . . . . 94 SER CA . 25494 1 593 . 1 1 82 82 SER CB C 13 64.029 0.000 . 1 . . . . 94 SER CB . 25494 1 594 . 1 1 82 82 SER N N 15 113.484 0.036 . 1 . . . . 94 SER N . 25494 1 595 . 1 1 83 83 ARG H H 1 8.249 0.005 . 1 . . . . 95 ARG H . 25494 1 596 . 1 1 83 83 ARG HA H 1 4.647 0.000 . 1 . . . . 95 ARG HA . 25494 1 597 . 1 1 83 83 ARG HB2 H 1 1.726 0.000 . 1 . . . . 95 ARG QB . 25494 1 598 . 1 1 83 83 ARG HB3 H 1 1.726 0.000 . 1 . . . . 95 ARG QB . 25494 1 599 . 1 1 83 83 ARG CA C 13 54.118 0.000 . 1 . . . . 95 ARG CA . 25494 1 600 . 1 1 83 83 ARG CB C 13 30.431 0.000 . 1 . . . . 95 ARG CB . 25494 1 601 . 1 1 83 83 ARG N N 15 123.811 0.033 . 1 . . . . 95 ARG N . 25494 1 602 . 1 1 85 85 PRO C C 13 176.517 0.000 . 1 . . . . 97 PRO C . 25494 1 603 . 1 1 86 86 VAL H H 1 8.283 0.004 . 1 . . . . 98 VAL H . 25494 1 604 . 1 1 86 86 VAL HA H 1 4.612 0.000 . 1 . . . . 98 VAL HA . 25494 1 605 . 1 1 86 86 VAL HB H 1 2.040 0.000 . 1 . . . . 98 VAL HB . 25494 1 606 . 1 1 86 86 VAL CA C 13 61.487 0.000 . 1 . . . . 98 VAL CA . 25494 1 607 . 1 1 86 86 VAL CB C 13 33.619 0.000 . 1 . . . . 98 VAL CB . 25494 1 608 . 1 1 86 86 VAL N N 15 118.072 0.039 . 1 . . . . 98 VAL N . 25494 1 609 . 1 1 87 87 THR H H 1 8.101 0.006 . 1 . . . . 99 THR H . 25494 1 610 . 1 1 87 87 THR HA H 1 5.242 0.002 . 1 . . . . 99 THR HA . 25494 1 611 . 1 1 87 87 THR HB H 1 3.875 0.000 . 1 . . . . 99 THR HB . 25494 1 612 . 1 1 87 87 THR C C 13 173.320 0.000 . 1 . . . . 99 THR C . 25494 1 613 . 1 1 87 87 THR CA C 13 61.715 0.053 . 1 . . . . 99 THR CA . 25494 1 614 . 1 1 87 87 THR CB C 13 70.833 0.038 . 1 . . . . 99 THR CB . 25494 1 615 . 1 1 87 87 THR N N 15 119.329 0.043 . 1 . . . . 99 THR N . 25494 1 616 . 1 1 88 88 LEU H H 1 9.350 0.006 . 1 . . . . 100 LEU H . 25494 1 617 . 1 1 88 88 LEU HA H 1 4.686 0.000 . 1 . . . . 100 LEU HA . 25494 1 618 . 1 1 88 88 LEU HB2 H 1 1.544 0.000 . 2 . . . . 100 LEU HB2 . 25494 1 619 . 1 1 88 88 LEU HB3 H 1 1.546 0.000 . 2 . . . . 100 LEU HB3 . 25494 1 620 . 1 1 88 88 LEU C C 13 175.025 0.000 . 1 . . . . 100 LEU C . 25494 1 621 . 1 1 88 88 LEU CA C 13 53.049 0.000 . 1 . . . . 100 LEU CA . 25494 1 622 . 1 1 88 88 LEU CB C 13 46.136 0.000 . 1 . . . . 100 LEU CB . 25494 1 623 . 1 1 88 88 LEU N N 15 126.122 0.039 . 1 . . . . 100 LEU N . 25494 1 624 . 1 1 89 89 ARG H H 1 9.216 0.006 . 1 . . . . 101 ARG H . 25494 1 625 . 1 1 89 89 ARG HA H 1 5.242 0.000 . 1 . . . . 101 ARG HA . 25494 1 626 . 1 1 89 89 ARG HB2 H 1 2.261 0.000 . 2 . . . . 101 ARG HB2 . 25494 1 627 . 1 1 89 89 ARG HB3 H 1 2.245 0.000 . 2 . . . . 101 ARG HB3 . 25494 1 628 . 1 1 89 89 ARG C C 13 174.425 0.000 . 1 . . . . 101 ARG C . 25494 1 629 . 1 1 89 89 ARG CA C 13 54.418 0.000 . 1 . . . . 101 ARG CA . 25494 1 630 . 1 1 89 89 ARG CB C 13 31.523 0.000 . 1 . . . . 101 ARG CB . 25494 1 631 . 1 1 89 89 ARG N N 15 121.145 0.033 . 1 . . . . 101 ARG N . 25494 1 632 . 1 1 90 90 LEU H H 1 9.050 0.003 . 1 . . . . 102 LEU H . 25494 1 633 . 1 1 90 90 LEU HA H 1 5.092 0.000 . 1 . . . . 102 LEU HA . 25494 1 634 . 1 1 90 90 LEU HB2 H 1 1.628 0.000 . 1 . . . . 102 LEU QB . 25494 1 635 . 1 1 90 90 LEU HB3 H 1 1.628 0.000 . 1 . . . . 102 LEU QB . 25494 1 636 . 1 1 90 90 LEU C C 13 176.266 0.000 . 1 . . . . 102 LEU C . 25494 1 637 . 1 1 90 90 LEU CA C 13 54.243 0.000 . 1 . . . . 102 LEU CA . 25494 1 638 . 1 1 90 90 LEU CB C 13 45.220 0.000 . 1 . . . . 102 LEU CB . 25494 1 639 . 1 1 90 90 LEU N N 15 125.506 0.078 . 1 . . . . 102 LEU N . 25494 1 640 . 1 1 91 91 VAL H H 1 8.629 0.005 . 1 . . . . 103 VAL H . 25494 1 641 . 1 1 91 91 VAL HA H 1 4.518 0.019 . 1 . . . . 103 VAL HA . 25494 1 642 . 1 1 91 91 VAL HB H 1 1.730 0.000 . 1 . . . . 103 VAL HB . 25494 1 643 . 1 1 91 91 VAL C C 13 176.081 0.000 . 1 . . . . 103 VAL C . 25494 1 644 . 1 1 91 91 VAL CA C 13 62.220 0.031 . 1 . . . . 103 VAL CA . 25494 1 645 . 1 1 91 91 VAL CB C 13 32.505 0.000 . 1 . . . . 103 VAL CB . 25494 1 646 . 1 1 91 91 VAL N N 15 123.617 0.057 . 1 . . . . 103 VAL N . 25494 1 647 . 1 1 92 92 VAL H H 1 9.029 0.008 . 1 . . . . 104 VAL H . 25494 1 648 . 1 1 92 92 VAL N N 15 123.258 0.058 . 1 . . . . 104 VAL N . 25494 1 649 . 1 1 93 93 PRO C C 13 177.994 0.000 . 1 . . . . 105 PRO C . 25494 1 650 . 1 1 94 94 ALA H H 1 9.088 0.005 . 1 . . . . 106 ALA H . 25494 1 651 . 1 1 94 94 ALA HA H 1 3.918 0.007 . 1 . . . . 106 ALA HA . 25494 1 652 . 1 1 94 94 ALA HB1 H 1 1.463 0.000 . 1 . . . . 106 ALA QB . 25494 1 653 . 1 1 94 94 ALA HB2 H 1 1.463 0.000 . 1 . . . . 106 ALA QB . 25494 1 654 . 1 1 94 94 ALA HB3 H 1 1.463 0.000 . 1 . . . . 106 ALA QB . 25494 1 655 . 1 1 94 94 ALA C C 13 180.483 0.000 . 1 . . . . 106 ALA C . 25494 1 656 . 1 1 94 94 ALA CA C 13 56.278 0.000 . 1 . . . . 106 ALA CA . 25494 1 657 . 1 1 94 94 ALA CB C 13 18.190 0.000 . 1 . . . . 106 ALA CB . 25494 1 658 . 1 1 94 94 ALA N N 15 126.898 0.033 . 1 . . . . 106 ALA N . 25494 1 659 . 1 1 95 95 THR H H 1 8.350 0.003 . 1 . . . . 107 THR H . 25494 1 660 . 1 1 95 95 THR HA H 1 4.081 0.000 . 1 . . . . 107 THR HA . 25494 1 661 . 1 1 95 95 THR HB H 1 4.235 0.000 . 1 . . . . 107 THR HB . 25494 1 662 . 1 1 95 95 THR C C 13 176.867 0.000 . 1 . . . . 107 THR C . 25494 1 663 . 1 1 95 95 THR CA C 13 64.631 0.000 . 1 . . . . 107 THR CA . 25494 1 664 . 1 1 95 95 THR CB C 13 68.279 0.048 . 1 . . . . 107 THR CB . 25494 1 665 . 1 1 95 95 THR N N 15 108.833 0.046 . 1 . . . . 107 THR N . 25494 1 666 . 1 1 96 96 GLN H H 1 7.331 0.005 . 1 . . . . 108 GLN H . 25494 1 667 . 1 1 96 96 GLN HA H 1 4.385 0.000 . 1 . . . . 108 GLN HA . 25494 1 668 . 1 1 96 96 GLN HB2 H 1 2.351 0.000 . 1 . . . . 108 GLN QB . 25494 1 669 . 1 1 96 96 GLN HB3 H 1 2.351 0.000 . 1 . . . . 108 GLN QB . 25494 1 670 . 1 1 96 96 GLN C C 13 177.470 0.000 . 1 . . . . 108 GLN C . 25494 1 671 . 1 1 96 96 GLN CA C 13 57.580 0.000 . 1 . . . . 108 GLN CA . 25494 1 672 . 1 1 96 96 GLN CB C 13 29.381 0.000 . 1 . . . . 108 GLN CB . 25494 1 673 . 1 1 96 96 GLN N N 15 120.415 0.045 . 1 . . . . 108 GLN N . 25494 1 674 . 1 1 97 97 ALA H H 1 7.888 0.005 . 1 . . . . 109 ALA H . 25494 1 675 . 1 1 97 97 ALA HA H 1 3.908 0.000 . 1 . . . . 109 ALA HA . 25494 1 676 . 1 1 97 97 ALA HB1 H 1 1.330 0.014 . 1 . . . . 109 ALA QB . 25494 1 677 . 1 1 97 97 ALA HB2 H 1 1.330 0.014 . 1 . . . . 109 ALA QB . 25494 1 678 . 1 1 97 97 ALA HB3 H 1 1.330 0.014 . 1 . . . . 109 ALA QB . 25494 1 679 . 1 1 97 97 ALA C C 13 178.843 0.000 . 1 . . . . 109 ALA C . 25494 1 680 . 1 1 97 97 ALA CA C 13 55.035 0.000 . 1 . . . . 109 ALA CA . 25494 1 681 . 1 1 97 97 ALA CB C 13 18.041 0.005 . 1 . . . . 109 ALA CB . 25494 1 682 . 1 1 97 97 ALA N N 15 121.149 0.040 . 1 . . . . 109 ALA N . 25494 1 683 . 1 1 98 98 GLY H H 1 8.290 0.004 . 1 . . . . 110 GLY H . 25494 1 684 . 1 1 98 98 GLY HA2 H 1 3.976 0.000 . 1 . . . . 110 GLY QA . 25494 1 685 . 1 1 98 98 GLY HA3 H 1 3.976 0.000 . 1 . . . . 110 GLY QA . 25494 1 686 . 1 1 98 98 GLY C C 13 176.500 0.000 . 1 . . . . 110 GLY C . 25494 1 687 . 1 1 98 98 GLY CA C 13 47.237 0.000 . 1 . . . . 110 GLY CA . 25494 1 688 . 1 1 98 98 GLY N N 15 104.214 0.000 . 1 . . . . 110 GLY N . 25494 1 689 . 1 1 99 99 SER H H 1 7.776 0.005 . 1 . . . . 111 SER H . 25494 1 690 . 1 1 99 99 SER HA H 1 4.323 0.000 . 1 . . . . 111 SER HA . 25494 1 691 . 1 1 99 99 SER HB2 H 1 3.902 0.000 . 1 . . . . 111 SER QB . 25494 1 692 . 1 1 99 99 SER HB3 H 1 3.902 0.000 . 1 . . . . 111 SER QB . 25494 1 693 . 1 1 99 99 SER C C 13 175.629 0.000 . 1 . . . . 111 SER C . 25494 1 694 . 1 1 99 99 SER CA C 13 60.744 0.000 . 1 . . . . 111 SER CA . 25494 1 695 . 1 1 99 99 SER CB C 13 63.165 0.000 . 1 . . . . 111 SER CB . 25494 1 696 . 1 1 99 99 SER N N 15 116.509 0.030 . 1 . . . . 111 SER N . 25494 1 697 . 1 1 100 100 LEU H H 1 7.624 0.010 . 1 . . . . 112 LEU H . 25494 1 698 . 1 1 100 100 LEU HA H 1 4.143 0.000 . 1 . . . . 112 LEU HA . 25494 1 699 . 1 1 100 100 LEU HB2 H 1 1.469 0.000 . 1 . . . . 112 LEU QB . 25494 1 700 . 1 1 100 100 LEU HB3 H 1 1.469 0.000 . 1 . . . . 112 LEU QB . 25494 1 701 . 1 1 100 100 LEU C C 13 176.432 0.000 . 1 . . . . 112 LEU C . 25494 1 702 . 1 1 100 100 LEU CA C 13 57.081 0.000 . 1 . . . . 112 LEU CA . 25494 1 703 . 1 1 100 100 LEU CB C 13 42.617 0.000 . 1 . . . . 112 LEU CB . 25494 1 704 . 1 1 100 100 LEU N N 15 120.228 0.046 . 1 . . . . 112 LEU N . 25494 1 705 . 1 1 101 101 ILE H H 1 7.447 0.007 . 1 . . . . 113 ILE H . 25494 1 706 . 1 1 101 101 ILE HA H 1 4.197 0.000 . 1 . . . . 113 ILE HA . 25494 1 707 . 1 1 101 101 ILE HB H 1 2.021 0.000 . 1 . . . . 113 ILE HB . 25494 1 708 . 1 1 101 101 ILE C C 13 177.496 0.000 . 1 . . . . 113 ILE C . 25494 1 709 . 1 1 101 101 ILE CA C 13 62.049 0.000 . 1 . . . . 113 ILE CA . 25494 1 710 . 1 1 101 101 ILE CB C 13 39.023 0.000 . 1 . . . . 113 ILE CB . 25494 1 711 . 1 1 101 101 ILE N N 15 110.529 0.062 . 1 . . . . 113 ILE N . 25494 1 712 . 1 1 102 102 GLY H H 1 7.760 0.006 . 1 . . . . 114 GLY H . 25494 1 713 . 1 1 102 102 GLY HA2 H 1 4.084 0.000 . 1 . . . . 114 GLY QA . 25494 1 714 . 1 1 102 102 GLY HA3 H 1 4.084 0.000 . 1 . . . . 114 GLY QA . 25494 1 715 . 1 1 102 102 GLY C C 13 174.476 0.000 . 1 . . . . 114 GLY C . 25494 1 716 . 1 1 102 102 GLY CA C 13 45.059 0.000 . 1 . . . . 114 GLY CA . 25494 1 717 . 1 1 102 102 GLY N N 15 108.474 0.048 . 1 . . . . 114 GLY N . 25494 1 718 . 1 1 103 103 LYS H H 1 9.141 0.010 . 1 . . . . 115 LYS H . 25494 1 719 . 1 1 103 103 LYS HA H 1 4.098 0.013 . 1 . . . . 115 LYS HA . 25494 1 720 . 1 1 103 103 LYS HB2 H 1 1.919 0.000 . 1 . . . . 115 LYS QB . 25494 1 721 . 1 1 103 103 LYS HB3 H 1 1.919 0.000 . 1 . . . . 115 LYS QB . 25494 1 722 . 1 1 103 103 LYS C C 13 178.612 0.000 . 1 . . . . 115 LYS C . 25494 1 723 . 1 1 103 103 LYS CA C 13 57.366 0.000 . 1 . . . . 115 LYS CA . 25494 1 724 . 1 1 103 103 LYS CB C 13 30.679 0.000 . 1 . . . . 115 LYS CB . 25494 1 725 . 1 1 103 103 LYS N N 15 122.025 0.045 . 1 . . . . 115 LYS N . 25494 1 726 . 1 1 104 104 GLY H H 1 8.909 0.003 . 1 . . . . 116 GLY H . 25494 1 727 . 1 1 104 104 GLY HA2 H 1 3.934 0.000 . 1 . . . . 116 GLY QA . 25494 1 728 . 1 1 104 104 GLY HA3 H 1 3.934 0.000 . 1 . . . . 116 GLY QA . 25494 1 729 . 1 1 104 104 GLY C C 13 175.586 0.000 . 1 . . . . 116 GLY C . 25494 1 730 . 1 1 104 104 GLY CA C 13 46.337 0.001 . 1 . . . . 116 GLY CA . 25494 1 731 . 1 1 104 104 GLY N N 15 109.850 0.101 . 1 . . . . 116 GLY N . 25494 1 732 . 1 1 105 105 GLY H H 1 7.861 0.008 . 1 . . . . 117 GLY H . 25494 1 733 . 1 1 105 105 GLY HA2 H 1 4.081 0.000 . 1 . . . . 117 GLY QA . 25494 1 734 . 1 1 105 105 GLY HA3 H 1 4.081 0.000 . 1 . . . . 117 GLY QA . 25494 1 735 . 1 1 105 105 GLY C C 13 175.934 0.000 . 1 . . . . 117 GLY C . 25494 1 736 . 1 1 105 105 GLY CA C 13 46.244 0.000 . 1 . . . . 117 GLY CA . 25494 1 737 . 1 1 105 105 GLY N N 15 107.987 0.042 . 1 . . . . 117 GLY N . 25494 1 738 . 1 1 106 106 ALA H H 1 7.598 0.006 . 1 . . . . 118 ALA H . 25494 1 739 . 1 1 106 106 ALA HA H 1 4.051 0.000 . 1 . . . . 118 ALA HA . 25494 1 740 . 1 1 106 106 ALA HB1 H 1 1.542 0.000 . 1 . . . . 118 ALA QB . 25494 1 741 . 1 1 106 106 ALA HB2 H 1 1.542 0.000 . 1 . . . . 118 ALA QB . 25494 1 742 . 1 1 106 106 ALA HB3 H 1 1.542 0.000 . 1 . . . . 118 ALA QB . 25494 1 743 . 1 1 106 106 ALA C C 13 180.202 0.000 . 1 . . . . 118 ALA C . 25494 1 744 . 1 1 106 106 ALA CA C 13 55.913 0.000 . 1 . . . . 118 ALA CA . 25494 1 745 . 1 1 106 106 ALA CB C 13 18.848 0.000 . 1 . . . . 118 ALA CB . 25494 1 746 . 1 1 106 106 ALA N N 15 122.455 0.030 . 1 . . . . 118 ALA N . 25494 1 747 . 1 1 107 107 LYS H H 1 8.820 0.004 . 1 . . . . 119 LYS H . 25494 1 748 . 1 1 107 107 LYS HA H 1 4.258 0.000 . 1 . . . . 119 LYS HA . 25494 1 749 . 1 1 107 107 LYS HB2 H 1 1.928 0.000 . 1 . . . . 119 LYS QB . 25494 1 750 . 1 1 107 107 LYS HB3 H 1 1.928 0.000 . 1 . . . . 119 LYS QB . 25494 1 751 . 1 1 107 107 LYS C C 13 178.796 0.000 . 1 . . . . 119 LYS C . 25494 1 752 . 1 1 107 107 LYS CA C 13 58.129 0.000 . 1 . . . . 119 LYS CA . 25494 1 753 . 1 1 107 107 LYS CB C 13 31.254 0.000 . 1 . . . . 119 LYS CB . 25494 1 754 . 1 1 107 107 LYS N N 15 117.388 0.035 . 1 . . . . 119 LYS N . 25494 1 755 . 1 1 108 108 ILE H H 1 7.438 0.000 . 1 . . . . 120 ILE H . 25494 1 756 . 1 1 108 108 ILE HA H 1 3.761 0.006 . 1 . . . . 120 ILE HA . 25494 1 757 . 1 1 108 108 ILE HB H 1 1.969 0.000 . 1 . . . . 120 ILE HB . 25494 1 758 . 1 1 108 108 ILE C C 13 177.426 0.000 . 1 . . . . 120 ILE C . 25494 1 759 . 1 1 108 108 ILE CA C 13 64.249 0.050 . 1 . . . . 120 ILE CA . 25494 1 760 . 1 1 108 108 ILE CB C 13 36.962 0.004 . 1 . . . . 120 ILE CB . 25494 1 761 . 1 1 108 108 ILE N N 15 118.212 0.037 . 1 . . . . 120 ILE N . 25494 1 762 . 1 1 109 109 LYS H H 1 7.917 0.007 . 1 . . . . 121 LYS H . 25494 1 763 . 1 1 109 109 LYS HA H 1 3.977 0.000 . 1 . . . . 121 LYS HA . 25494 1 764 . 1 1 109 109 LYS HB2 H 1 1.963 0.000 . 1 . . . . 121 LYS QB . 25494 1 765 . 1 1 109 109 LYS HB3 H 1 1.963 0.000 . 1 . . . . 121 LYS QB . 25494 1 766 . 1 1 109 109 LYS C C 13 178.366 0.000 . 1 . . . . 121 LYS C . 25494 1 767 . 1 1 109 109 LYS CA C 13 60.527 0.000 . 1 . . . . 121 LYS CA . 25494 1 768 . 1 1 109 109 LYS CB C 13 32.605 0.000 . 1 . . . . 121 LYS CB . 25494 1 769 . 1 1 109 109 LYS N N 15 121.532 0.024 . 1 . . . . 121 LYS N . 25494 1 770 . 1 1 110 110 GLU H H 1 7.799 0.004 . 1 . . . . 122 GLU H . 25494 1 771 . 1 1 110 110 GLU HA H 1 4.110 0.000 . 1 . . . . 122 GLU HA . 25494 1 772 . 1 1 110 110 GLU HB2 H 1 2.262 0.000 . 2 . . . . 122 GLU HB2 . 25494 1 773 . 1 1 110 110 GLU HB3 H 1 2.251 0.000 . 2 . . . . 122 GLU HB3 . 25494 1 774 . 1 1 110 110 GLU C C 13 179.682 0.000 . 1 . . . . 122 GLU C . 25494 1 775 . 1 1 110 110 GLU CA C 13 59.416 0.000 . 1 . . . . 122 GLU CA . 25494 1 776 . 1 1 110 110 GLU CB C 13 29.464 0.000 . 1 . . . . 122 GLU CB . 25494 1 777 . 1 1 110 110 GLU N N 15 119.053 0.031 . 1 . . . . 122 GLU N . 25494 1 778 . 1 1 111 111 ILE H H 1 8.143 0.012 . 1 . . . . 123 ILE H . 25494 1 779 . 1 1 111 111 ILE HA H 1 3.878 0.000 . 1 . . . . 123 ILE HA . 25494 1 780 . 1 1 111 111 ILE HB H 1 1.943 0.000 . 1 . . . . 123 ILE HB . 25494 1 781 . 1 1 111 111 ILE C C 13 179.872 0.000 . 1 . . . . 123 ILE C . 25494 1 782 . 1 1 111 111 ILE CA C 13 65.633 0.000 . 1 . . . . 123 ILE CA . 25494 1 783 . 1 1 111 111 ILE CB C 13 38.732 0.085 . 1 . . . . 123 ILE CB . 25494 1 784 . 1 1 111 111 ILE N N 15 121.229 0.037 . 1 . . . . 123 ILE N . 25494 1 785 . 1 1 112 112 ARG H H 1 8.693 0.004 . 1 . . . . 124 ARG H . 25494 1 786 . 1 1 112 112 ARG HA H 1 4.184 0.000 . 1 . . . . 124 ARG HA . 25494 1 787 . 1 1 112 112 ARG HB2 H 1 2.068 0.000 . 1 . . . . 124 ARG QB . 25494 1 788 . 1 1 112 112 ARG HB3 H 1 2.068 0.000 . 1 . . . . 124 ARG QB . 25494 1 789 . 1 1 112 112 ARG C C 13 179.402 0.000 . 1 . . . . 124 ARG C . 25494 1 790 . 1 1 112 112 ARG CA C 13 60.469 0.000 . 1 . . . . 124 ARG CA . 25494 1 791 . 1 1 112 112 ARG CB C 13 30.884 0.000 . 1 . . . . 124 ARG CB . 25494 1 792 . 1 1 112 112 ARG N N 15 123.865 0.032 . 1 . . . . 124 ARG N . 25494 1 793 . 1 1 113 113 GLU H H 1 8.332 0.005 . 1 . . . . 125 GLU H . 25494 1 794 . 1 1 113 113 GLU HA H 1 4.090 0.000 . 1 . . . . 125 GLU HA . 25494 1 795 . 1 1 113 113 GLU HB2 H 1 2.084 0.000 . 1 . . . . 125 GLU QB . 25494 1 796 . 1 1 113 113 GLU HB3 H 1 2.084 0.000 . 1 . . . . 125 GLU QB . 25494 1 797 . 1 1 113 113 GLU C C 13 178.837 0.000 . 1 . . . . 125 GLU C . 25494 1 798 . 1 1 113 113 GLU CA C 13 59.195 0.000 . 1 . . . . 125 GLU CA . 25494 1 799 . 1 1 113 113 GLU CB C 13 29.364 0.000 . 1 . . . . 125 GLU CB . 25494 1 800 . 1 1 113 113 GLU N N 15 118.308 0.039 . 1 . . . . 125 GLU N . 25494 1 801 . 1 1 114 114 SER H H 1 8.383 0.007 . 1 . . . . 126 SER H . 25494 1 802 . 1 1 114 114 SER HA H 1 4.345 0.000 . 1 . . . . 126 SER HA . 25494 1 803 . 1 1 114 114 SER HB2 H 1 4.043 0.000 . 1 . . . . 126 SER QB . 25494 1 804 . 1 1 114 114 SER HB3 H 1 4.043 0.000 . 1 . . . . 126 SER QB . 25494 1 805 . 1 1 114 114 SER C C 13 176.824 0.000 . 1 . . . . 126 SER C . 25494 1 806 . 1 1 114 114 SER CA C 13 60.756 0.000 . 1 . . . . 126 SER CA . 25494 1 807 . 1 1 114 114 SER CB C 13 63.714 0.000 . 1 . . . . 126 SER CB . 25494 1 808 . 1 1 114 114 SER N N 15 112.348 0.042 . 1 . . . . 126 SER N . 25494 1 809 . 1 1 115 115 THR H H 1 7.857 0.007 . 1 . . . . 127 THR H . 25494 1 810 . 1 1 115 115 THR HA H 1 4.513 0.004 . 1 . . . . 127 THR HA . 25494 1 811 . 1 1 115 115 THR HB H 1 4.383 0.000 . 1 . . . . 127 THR HB . 25494 1 812 . 1 1 115 115 THR C C 13 176.730 0.000 . 1 . . . . 127 THR C . 25494 1 813 . 1 1 115 115 THR CA C 13 63.106 0.039 . 1 . . . . 127 THR CA . 25494 1 814 . 1 1 115 115 THR CB C 13 71.882 0.000 . 1 . . . . 127 THR CB . 25494 1 815 . 1 1 115 115 THR N N 15 107.645 0.038 . 1 . . . . 127 THR N . 25494 1 816 . 1 1 116 116 GLY H H 1 8.162 0.009 . 1 . . . . 128 GLY H . 25494 1 817 . 1 1 116 116 GLY HA2 H 1 4.299 0.000 . 1 . . . . 128 GLY QA . 25494 1 818 . 1 1 116 116 GLY HA3 H 1 4.299 0.000 . 1 . . . . 128 GLY QA . 25494 1 819 . 1 1 116 116 GLY C C 13 174.018 0.000 . 1 . . . . 128 GLY C . 25494 1 820 . 1 1 116 116 GLY CA C 13 45.769 0.000 . 1 . . . . 128 GLY CA . 25494 1 821 . 1 1 116 116 GLY N N 15 111.484 0.064 . 1 . . . . 128 GLY N . 25494 1 822 . 1 1 117 117 ALA H H 1 8.032 0.006 . 1 . . . . 129 ALA H . 25494 1 823 . 1 1 117 117 ALA HA H 1 4.446 0.000 . 1 . . . . 129 ALA HA . 25494 1 824 . 1 1 117 117 ALA HB1 H 1 0.953 0.000 . 1 . . . . 129 ALA QB . 25494 1 825 . 1 1 117 117 ALA HB2 H 1 0.953 0.000 . 1 . . . . 129 ALA QB . 25494 1 826 . 1 1 117 117 ALA HB3 H 1 0.953 0.000 . 1 . . . . 129 ALA QB . 25494 1 827 . 1 1 117 117 ALA C C 13 177.077 0.000 . 1 . . . . 129 ALA C . 25494 1 828 . 1 1 117 117 ALA CA C 13 51.371 0.000 . 1 . . . . 129 ALA CA . 25494 1 829 . 1 1 117 117 ALA CB C 13 19.075 0.000 . 1 . . . . 129 ALA CB . 25494 1 830 . 1 1 117 117 ALA N N 15 122.742 0.042 . 1 . . . . 129 ALA N . 25494 1 831 . 1 1 118 118 GLN H H 1 8.956 0.009 . 1 . . . . 130 GLN H . 25494 1 832 . 1 1 118 118 GLN HA H 1 4.457 0.000 . 1 . . . . 130 GLN HA . 25494 1 833 . 1 1 118 118 GLN HB2 H 1 2.352 0.000 . 2 . . . . 130 GLN HB2 . 25494 1 834 . 1 1 118 118 GLN HB3 H 1 2.343 0.000 . 2 . . . . 130 GLN HB3 . 25494 1 835 . 1 1 118 118 GLN C C 13 176.044 0.000 . 1 . . . . 130 GLN C . 25494 1 836 . 1 1 118 118 GLN CA C 13 55.797 0.000 . 1 . . . . 130 GLN CA . 25494 1 837 . 1 1 118 118 GLN CB C 13 29.135 0.000 . 1 . . . . 130 GLN CB . 25494 1 838 . 1 1 118 118 GLN N N 15 120.003 0.044 . 1 . . . . 130 GLN N . 25494 1 839 . 1 1 119 119 VAL H H 1 7.797 0.008 . 1 . . . . 131 VAL H . 25494 1 840 . 1 1 119 119 VAL HA H 1 5.090 0.000 . 1 . . . . 131 VAL HA . 25494 1 841 . 1 1 119 119 VAL HB H 1 1.764 0.000 . 1 . . . . 131 VAL HB . 25494 1 842 . 1 1 119 119 VAL C C 13 174.665 0.000 . 1 . . . . 131 VAL C . 25494 1 843 . 1 1 119 119 VAL CA C 13 61.131 0.000 . 1 . . . . 131 VAL CA . 25494 1 844 . 1 1 119 119 VAL CB C 13 34.807 0.000 . 1 . . . . 131 VAL CB . 25494 1 845 . 1 1 119 119 VAL N N 15 124.323 0.045 . 1 . . . . 131 VAL N . 25494 1 846 . 1 1 120 120 GLN H H 1 8.933 0.006 . 1 . . . . 132 GLN H . 25494 1 847 . 1 1 120 120 GLN HA H 1 4.746 0.000 . 1 . . . . 132 GLN HA . 25494 1 848 . 1 1 120 120 GLN HB2 H 1 2.018 0.000 . 2 . . . . 132 GLN HB2 . 25494 1 849 . 1 1 120 120 GLN HB3 H 1 1.872 0.000 . 2 . . . . 132 GLN HB3 . 25494 1 850 . 1 1 120 120 GLN HG2 H 1 2.216 0.000 . 1 . . . . 132 GLN QG . 25494 1 851 . 1 1 120 120 GLN HG3 H 1 2.216 0.000 . 1 . . . . 132 GLN QG . 25494 1 852 . 1 1 120 120 GLN C C 13 174.099 0.000 . 1 . . . . 132 GLN C . 25494 1 853 . 1 1 120 120 GLN CA C 13 54.340 0.000 . 1 . . . . 132 GLN CA . 25494 1 854 . 1 1 120 120 GLN CB C 13 32.425 0.000 . 1 . . . . 132 GLN CB . 25494 1 855 . 1 1 120 120 GLN N N 15 125.240 0.046 . 1 . . . . 132 GLN N . 25494 1 856 . 1 1 121 121 VAL H H 1 9.056 0.005 . 1 . . . . 133 VAL H . 25494 1 857 . 1 1 121 121 VAL HA H 1 4.272 0.000 . 1 . . . . 133 VAL HA . 25494 1 858 . 1 1 121 121 VAL HB H 1 2.000 0.000 . 1 . . . . 133 VAL HB . 25494 1 859 . 1 1 121 121 VAL C C 13 175.437 0.000 . 1 . . . . 133 VAL C . 25494 1 860 . 1 1 121 121 VAL CA C 13 62.393 0.000 . 1 . . . . 133 VAL CA . 25494 1 861 . 1 1 121 121 VAL CB C 13 32.209 0.000 . 1 . . . . 133 VAL CB . 25494 1 862 . 1 1 121 121 VAL N N 15 125.287 0.068 . 1 . . . . 133 VAL N . 25494 1 863 . 1 1 122 122 ALA H H 1 8.658 0.007 . 1 . . . . 134 ALA H . 25494 1 864 . 1 1 122 122 ALA HA H 1 4.431 0.018 . 1 . . . . 134 ALA HA . 25494 1 865 . 1 1 122 122 ALA HB1 H 1 1.577 0.000 . 1 . . . . 134 ALA QB . 25494 1 866 . 1 1 122 122 ALA HB2 H 1 1.577 0.000 . 1 . . . . 134 ALA QB . 25494 1 867 . 1 1 122 122 ALA HB3 H 1 1.577 0.000 . 1 . . . . 134 ALA QB . 25494 1 868 . 1 1 122 122 ALA C C 13 178.348 0.000 . 1 . . . . 134 ALA C . 25494 1 869 . 1 1 122 122 ALA CA C 13 52.669 0.000 . 1 . . . . 134 ALA CA . 25494 1 870 . 1 1 122 122 ALA CB C 13 20.540 0.000 . 1 . . . . 134 ALA CB . 25494 1 871 . 1 1 122 122 ALA N N 15 131.414 0.000 . 1 . . . . 134 ALA N . 25494 1 872 . 1 1 123 123 GLY H H 1 8.747 0.006 . 1 . . . . 135 GLY H . 25494 1 873 . 1 1 123 123 GLY HA2 H 1 4.014 0.000 . 1 . . . . 135 GLY QA . 25494 1 874 . 1 1 123 123 GLY HA3 H 1 4.014 0.000 . 1 . . . . 135 GLY QA . 25494 1 875 . 1 1 123 123 GLY C C 13 173.636 0.000 . 1 . . . . 135 GLY C . 25494 1 876 . 1 1 123 123 GLY CA C 13 45.715 0.000 . 1 . . . . 135 GLY CA . 25494 1 877 . 1 1 123 123 GLY N N 15 109.267 0.057 . 1 . . . . 135 GLY N . 25494 1 878 . 1 1 124 124 ASP H H 1 8.015 0.004 . 1 . . . . 136 ASP H . 25494 1 879 . 1 1 124 124 ASP HA H 1 4.690 0.009 . 1 . . . . 136 ASP HA . 25494 1 880 . 1 1 124 124 ASP HB2 H 1 2.654 0.000 . 2 . . . . 136 ASP HB2 . 25494 1 881 . 1 1 124 124 ASP HB3 H 1 2.538 0.000 . 2 . . . . 136 ASP HB3 . 25494 1 882 . 1 1 124 124 ASP C C 13 175.562 0.000 . 1 . . . . 136 ASP C . 25494 1 883 . 1 1 124 124 ASP CA C 13 53.386 0.000 . 1 . . . . 136 ASP CA . 25494 1 884 . 1 1 124 124 ASP CB C 13 41.821 0.000 . 1 . . . . 136 ASP CB . 25494 1 885 . 1 1 124 124 ASP N N 15 118.482 0.051 . 1 . . . . 136 ASP N . 25494 1 886 . 1 1 125 125 MET H H 1 8.384 0.004 . 1 . . . . 137 MET H . 25494 1 887 . 1 1 125 125 MET HA H 1 4.466 0.017 . 1 . . . . 137 MET HA . 25494 1 888 . 1 1 125 125 MET HB2 H 1 2.394 0.000 . 1 . . . . 137 MET QB . 25494 1 889 . 1 1 125 125 MET HB3 H 1 2.394 0.000 . 1 . . . . 137 MET QB . 25494 1 890 . 1 1 125 125 MET C C 13 176.410 0.000 . 1 . . . . 137 MET C . 25494 1 891 . 1 1 125 125 MET CA C 13 55.612 0.000 . 1 . . . . 137 MET CA . 25494 1 892 . 1 1 125 125 MET CB C 13 33.562 0.000 . 1 . . . . 137 MET CB . 25494 1 893 . 1 1 125 125 MET N N 15 119.334 0.041 . 1 . . . . 137 MET N . 25494 1 894 . 1 1 126 126 LEU H H 1 8.289 0.006 . 1 . . . . 138 LEU H . 25494 1 895 . 1 1 126 126 LEU HA H 1 4.474 0.000 . 1 . . . . 138 LEU HA . 25494 1 896 . 1 1 126 126 LEU HB2 H 1 1.598 0.000 . 1 . . . . 138 LEU QB . 25494 1 897 . 1 1 126 126 LEU HB3 H 1 1.598 0.000 . 1 . . . . 138 LEU QB . 25494 1 898 . 1 1 126 126 LEU CA C 13 53.830 0.000 . 1 . . . . 138 LEU CA . 25494 1 899 . 1 1 126 126 LEU CB C 13 40.394 0.000 . 1 . . . . 138 LEU CB . 25494 1 900 . 1 1 126 126 LEU N N 15 123.882 0.047 . 1 . . . . 138 LEU N . 25494 1 901 . 1 1 127 127 PRO C C 13 176.937 0.000 . 1 . . . . 139 PRO C . 25494 1 902 . 1 1 128 128 ASN H H 1 8.587 0.005 . 1 . . . . 140 ASN H . 25494 1 903 . 1 1 128 128 ASN HA H 1 4.505 0.000 . 1 . . . . 140 ASN HA . 25494 1 904 . 1 1 128 128 ASN HB2 H 1 2.952 0.000 . 2 . . . . 140 ASN HB2 . 25494 1 905 . 1 1 128 128 ASN HB3 H 1 2.817 0.000 . 2 . . . . 140 ASN HB3 . 25494 1 906 . 1 1 128 128 ASN C C 13 174.520 0.000 . 1 . . . . 140 ASN C . 25494 1 907 . 1 1 128 128 ASN CA C 13 53.592 0.000 . 1 . . . . 140 ASN CA . 25494 1 908 . 1 1 128 128 ASN CB C 13 37.949 0.000 . 1 . . . . 140 ASN CB . 25494 1 909 . 1 1 128 128 ASN N N 15 115.935 0.039 . 1 . . . . 140 ASN N . 25494 1 910 . 1 1 129 129 SER H H 1 7.958 0.007 . 1 . . . . 141 SER H . 25494 1 911 . 1 1 129 129 SER HA H 1 4.736 0.000 . 1 . . . . 141 SER HA . 25494 1 912 . 1 1 129 129 SER HB2 H 1 3.925 0.000 . 2 . . . . 141 SER HB2 . 25494 1 913 . 1 1 129 129 SER HB3 H 1 3.706 0.000 . 2 . . . . 141 SER HB3 . 25494 1 914 . 1 1 129 129 SER C C 13 174.300 0.000 . 1 . . . . 141 SER C . 25494 1 915 . 1 1 129 129 SER CA C 13 58.154 0.000 . 1 . . . . 141 SER CA . 25494 1 916 . 1 1 129 129 SER CB C 13 65.221 0.000 . 1 . . . . 141 SER CB . 25494 1 917 . 1 1 129 129 SER N N 15 113.758 0.041 . 1 . . . . 141 SER N . 25494 1 918 . 1 1 130 130 THR H H 1 8.361 0.004 . 1 . . . . 142 THR H . 25494 1 919 . 1 1 130 130 THR HA H 1 4.741 0.000 . 1 . . . . 142 THR HA . 25494 1 920 . 1 1 130 130 THR HB H 1 4.577 0.012 . 1 . . . . 142 THR HB . 25494 1 921 . 1 1 130 130 THR C C 13 174.758 0.000 . 1 . . . . 142 THR C . 25494 1 922 . 1 1 130 130 THR CA C 13 61.522 0.000 . 1 . . . . 142 THR CA . 25494 1 923 . 1 1 130 130 THR CB C 13 68.689 0.047 . 1 . . . . 142 THR CB . 25494 1 924 . 1 1 130 130 THR N N 15 111.559 0.048 . 1 . . . . 142 THR N . 25494 1 925 . 1 1 131 131 GLU H H 1 8.216 0.004 . 1 . . . . 143 GLU H . 25494 1 926 . 1 1 131 131 GLU HA H 1 4.693 0.000 . 1 . . . . 143 GLU HA . 25494 1 927 . 1 1 131 131 GLU HB2 H 1 1.828 0.000 . 2 . . . . 143 GLU HB2 . 25494 1 928 . 1 1 131 131 GLU HB3 H 1 1.822 0.000 . 2 . . . . 143 GLU HB3 . 25494 1 929 . 1 1 131 131 GLU C C 13 174.941 0.000 . 1 . . . . 143 GLU C . 25494 1 930 . 1 1 131 131 GLU CA C 13 55.795 0.000 . 1 . . . . 143 GLU CA . 25494 1 931 . 1 1 131 131 GLU CB C 13 32.392 0.000 . 1 . . . . 143 GLU CB . 25494 1 932 . 1 1 131 131 GLU N N 15 121.444 0.043 . 1 . . . . 143 GLU N . 25494 1 933 . 1 1 132 132 ARG H H 1 8.852 0.007 . 1 . . . . 144 ARG H . 25494 1 934 . 1 1 132 132 ARG HA H 1 4.756 0.000 . 1 . . . . 144 ARG HA . 25494 1 935 . 1 1 132 132 ARG HB2 H 1 1.825 0.000 . 1 . . . . 144 ARG QB . 25494 1 936 . 1 1 132 132 ARG HB3 H 1 1.825 0.000 . 1 . . . . 144 ARG QB . 25494 1 937 . 1 1 132 132 ARG C C 13 173.816 0.000 . 1 . . . . 144 ARG C . 25494 1 938 . 1 1 132 132 ARG CA C 13 53.718 0.000 . 1 . . . . 144 ARG CA . 25494 1 939 . 1 1 132 132 ARG CB C 13 34.304 0.000 . 1 . . . . 144 ARG CB . 25494 1 940 . 1 1 132 132 ARG N N 15 118.299 0.049 . 1 . . . . 144 ARG N . 25494 1 941 . 1 1 133 133 ALA H H 1 8.817 0.007 . 1 . . . . 145 ALA H . 25494 1 942 . 1 1 133 133 ALA HA H 1 5.351 0.010 . 1 . . . . 145 ALA HA . 25494 1 943 . 1 1 133 133 ALA HB1 H 1 1.161 0.000 . 1 . . . . 145 ALA QB . 25494 1 944 . 1 1 133 133 ALA HB2 H 1 1.161 0.000 . 1 . . . . 145 ALA QB . 25494 1 945 . 1 1 133 133 ALA HB3 H 1 1.161 0.000 . 1 . . . . 145 ALA QB . 25494 1 946 . 1 1 133 133 ALA C C 13 176.744 0.000 . 1 . . . . 145 ALA C . 25494 1 947 . 1 1 133 133 ALA CA C 13 50.363 0.058 . 1 . . . . 145 ALA CA . 25494 1 948 . 1 1 133 133 ALA CB C 13 20.153 0.000 . 1 . . . . 145 ALA CB . 25494 1 949 . 1 1 133 133 ALA N N 15 123.383 0.048 . 1 . . . . 145 ALA N . 25494 1 950 . 1 1 134 134 ILE H H 1 9.403 0.006 . 1 . . . . 146 ILE H . 25494 1 951 . 1 1 134 134 ILE HA H 1 4.735 0.000 . 1 . . . . 146 ILE HA . 25494 1 952 . 1 1 134 134 ILE HB H 1 1.772 0.000 . 1 . . . . 146 ILE HB . 25494 1 953 . 1 1 134 134 ILE C C 13 175.669 0.000 . 1 . . . . 146 ILE C . 25494 1 954 . 1 1 134 134 ILE CA C 13 59.951 0.000 . 1 . . . . 146 ILE CA . 25494 1 955 . 1 1 134 134 ILE CB C 13 40.372 0.000 . 1 . . . . 146 ILE CB . 25494 1 956 . 1 1 134 134 ILE N N 15 123.306 0.040 . 1 . . . . 146 ILE N . 25494 1 957 . 1 1 135 135 THR H H 1 9.197 0.004 . 1 . . . . 147 THR H . 25494 1 958 . 1 1 135 135 THR HA H 1 4.941 0.000 . 1 . . . . 147 THR HA . 25494 1 959 . 1 1 135 135 THR HB H 1 4.010 0.010 . 1 . . . . 147 THR HB . 25494 1 960 . 1 1 135 135 THR C C 13 173.741 0.000 . 1 . . . . 147 THR C . 25494 1 961 . 1 1 135 135 THR CA C 13 62.614 0.089 . 1 . . . . 147 THR CA . 25494 1 962 . 1 1 135 135 THR CB C 13 69.523 0.053 . 1 . . . . 147 THR CB . 25494 1 963 . 1 1 135 135 THR N N 15 123.607 0.044 . 1 . . . . 147 THR N . 25494 1 964 . 1 1 136 136 ILE H H 1 9.242 0.005 . 1 . . . . 148 ILE H . 25494 1 965 . 1 1 136 136 ILE HA H 1 4.922 0.000 . 1 . . . . 148 ILE HA . 25494 1 966 . 1 1 136 136 ILE HB H 1 1.585 0.000 . 1 . . . . 148 ILE HB . 25494 1 967 . 1 1 136 136 ILE HG12 H 1 0.850 0.000 . 1 . . . . 148 ILE QG1 . 25494 1 968 . 1 1 136 136 ILE HG13 H 1 0.850 0.000 . 1 . . . . 148 ILE QG1 . 25494 1 969 . 1 1 136 136 ILE C C 13 173.695 0.000 . 1 . . . . 148 ILE C . 25494 1 970 . 1 1 136 136 ILE CA C 13 60.255 0.000 . 1 . . . . 148 ILE CA . 25494 1 971 . 1 1 136 136 ILE CB C 13 40.871 0.000 . 1 . . . . 148 ILE CB . 25494 1 972 . 1 1 136 136 ILE N N 15 127.531 0.027 . 1 . . . . 148 ILE N . 25494 1 973 . 1 1 137 137 ALA H H 1 8.920 0.004 . 1 . . . . 149 ALA H . 25494 1 974 . 1 1 137 137 ALA HA H 1 5.915 0.000 . 1 . . . . 149 ALA HA . 25494 1 975 . 1 1 137 137 ALA HB1 H 1 1.272 0.000 . 1 . . . . 149 ALA QB . 25494 1 976 . 1 1 137 137 ALA HB2 H 1 1.272 0.000 . 1 . . . . 149 ALA QB . 25494 1 977 . 1 1 137 137 ALA HB3 H 1 1.272 0.000 . 1 . . . . 149 ALA QB . 25494 1 978 . 1 1 137 137 ALA C C 13 176.650 0.000 . 1 . . . . 149 ALA C . 25494 1 979 . 1 1 137 137 ALA CA C 13 50.113 0.000 . 1 . . . . 149 ALA CA . 25494 1 980 . 1 1 137 137 ALA CB C 13 23.934 0.000 . 1 . . . . 149 ALA CB . 25494 1 981 . 1 1 137 137 ALA N N 15 127.822 0.060 . 1 . . . . 149 ALA N . 25494 1 982 . 1 1 138 138 GLY H H 1 8.402 0.007 . 1 . . . . 150 GLY H . 25494 1 983 . 1 1 138 138 GLY HA2 H 1 4.027 0.000 . 1 . . . . 150 GLY QA . 25494 1 984 . 1 1 138 138 GLY HA3 H 1 4.027 0.000 . 1 . . . . 150 GLY QA . 25494 1 985 . 1 1 138 138 GLY C C 13 172.336 0.000 . 1 . . . . 150 GLY C . 25494 1 986 . 1 1 138 138 GLY CA C 13 45.011 0.000 . 1 . . . . 150 GLY CA . 25494 1 987 . 1 1 138 138 GLY N N 15 107.917 0.042 . 1 . . . . 150 GLY N . 25494 1 988 . 1 1 139 139 VAL H H 1 8.300 0.005 . 1 . . . . 151 VAL H . 25494 1 989 . 1 1 139 139 VAL HA H 1 4.023 0.000 . 1 . . . . 151 VAL HA . 25494 1 990 . 1 1 139 139 VAL HB H 1 2.031 0.000 . 1 . . . . 151 VAL HB . 25494 1 991 . 1 1 139 139 VAL CA C 13 60.865 0.000 . 1 . . . . 151 VAL CA . 25494 1 992 . 1 1 139 139 VAL CB C 13 29.657 0.000 . 1 . . . . 151 VAL CB . 25494 1 993 . 1 1 139 139 VAL N N 15 115.001 0.046 . 1 . . . . 151 VAL N . 25494 1 994 . 1 1 140 140 PRO C C 13 178.516 0.000 . 1 . . . . 152 PRO C . 25494 1 995 . 1 1 141 141 GLN H H 1 9.415 0.003 . 1 . . . . 153 GLN H . 25494 1 996 . 1 1 141 141 GLN HA H 1 4.079 0.000 . 1 . . . . 153 GLN HA . 25494 1 997 . 1 1 141 141 GLN HB2 H 1 2.161 0.000 . 1 . . . . 153 GLN QB . 25494 1 998 . 1 1 141 141 GLN HB3 H 1 2.161 0.000 . 1 . . . . 153 GLN QB . 25494 1 999 . 1 1 141 141 GLN C C 13 178.306 0.000 . 1 . . . . 153 GLN C . 25494 1 1000 . 1 1 141 141 GLN CA C 13 59.987 0.000 . 1 . . . . 153 GLN CA . 25494 1 1001 . 1 1 141 141 GLN CB C 13 28.009 0.000 . 1 . . . . 153 GLN CB . 25494 1 1002 . 1 1 141 141 GLN N N 15 118.038 0.047 . 1 . . . . 153 GLN N . 25494 1 1003 . 1 1 142 142 SER H H 1 7.165 0.007 . 1 . . . . 154 SER H . 25494 1 1004 . 1 1 142 142 SER HA H 1 4.339 0.000 . 1 . . . . 154 SER HA . 25494 1 1005 . 1 1 142 142 SER HB2 H 1 4.087 0.000 . 2 . . . . 154 SER HB2 . 25494 1 1006 . 1 1 142 142 SER HB3 H 1 4.070 0.000 . 2 . . . . 154 SER HB3 . 25494 1 1007 . 1 1 142 142 SER C C 13 175.697 0.000 . 1 . . . . 154 SER C . 25494 1 1008 . 1 1 142 142 SER CA C 13 62.112 0.000 . 1 . . . . 154 SER CA . 25494 1 1009 . 1 1 142 142 SER CB C 13 63.210 0.000 . 1 . . . . 154 SER CB . 25494 1 1010 . 1 1 142 142 SER N N 15 115.631 0.037 . 1 . . . . 154 SER N . 25494 1 1011 . 1 1 143 143 VAL H H 1 7.934 0.008 . 1 . . . . 155 VAL H . 25494 1 1012 . 1 1 143 143 VAL HA H 1 3.311 0.000 . 1 . . . . 155 VAL HA . 25494 1 1013 . 1 1 143 143 VAL HB H 1 1.879 0.000 . 1 . . . . 155 VAL HB . 25494 1 1014 . 1 1 143 143 VAL C C 13 177.284 0.000 . 1 . . . . 155 VAL C . 25494 1 1015 . 1 1 143 143 VAL CA C 13 66.375 0.072 . 1 . . . . 155 VAL CA . 25494 1 1016 . 1 1 143 143 VAL CB C 13 31.545 0.000 . 1 . . . . 155 VAL CB . 25494 1 1017 . 1 1 143 143 VAL N N 15 121.220 0.075 . 1 . . . . 155 VAL N . 25494 1 1018 . 1 1 144 144 THR H H 1 8.290 0.006 . 1 . . . . 156 THR H . 25494 1 1019 . 1 1 144 144 THR HA H 1 4.421 0.000 . 1 . . . . 156 THR HA . 25494 1 1020 . 1 1 144 144 THR HB H 1 4.237 0.000 . 1 . . . . 156 THR HB . 25494 1 1021 . 1 1 144 144 THR C C 13 175.762 0.000 . 1 . . . . 156 THR C . 25494 1 1022 . 1 1 144 144 THR CA C 13 67.443 0.000 . 1 . . . . 156 THR CA . 25494 1 1023 . 1 1 144 144 THR CB C 13 68.326 0.000 . 1 . . . . 156 THR CB . 25494 1 1024 . 1 1 144 144 THR N N 15 115.575 0.044 . 1 . . . . 156 THR N . 25494 1 1025 . 1 1 145 145 GLU H H 1 7.557 0.005 . 1 . . . . 157 GLU H . 25494 1 1026 . 1 1 145 145 GLU HA H 1 4.251 0.000 . 1 . . . . 157 GLU HA . 25494 1 1027 . 1 1 145 145 GLU HB2 H 1 2.027 0.000 . 1 . . . . 157 GLU QB . 25494 1 1028 . 1 1 145 145 GLU HB3 H 1 2.027 0.000 . 1 . . . . 157 GLU QB . 25494 1 1029 . 1 1 145 145 GLU C C 13 178.752 0.000 . 1 . . . . 157 GLU C . 25494 1 1030 . 1 1 145 145 GLU CA C 13 58.957 0.000 . 1 . . . . 157 GLU CA . 25494 1 1031 . 1 1 145 145 GLU CB C 13 28.915 0.000 . 1 . . . . 157 GLU CB . 25494 1 1032 . 1 1 145 145 GLU N N 15 119.192 0.039 . 1 . . . . 157 GLU N . 25494 1 1033 . 1 1 146 146 ALA H H 1 8.363 0.004 . 1 . . . . 158 ALA H . 25494 1 1034 . 1 1 146 146 ALA HA H 1 4.311 0.000 . 1 . . . . 158 ALA HA . 25494 1 1035 . 1 1 146 146 ALA HB1 H 1 1.695 0.000 . 1 . . . . 158 ALA QB . 25494 1 1036 . 1 1 146 146 ALA HB2 H 1 1.695 0.000 . 1 . . . . 158 ALA QB . 25494 1 1037 . 1 1 146 146 ALA HB3 H 1 1.695 0.000 . 1 . . . . 158 ALA QB . 25494 1 1038 . 1 1 146 146 ALA C C 13 179.197 0.000 . 1 . . . . 158 ALA C . 25494 1 1039 . 1 1 146 146 ALA CA C 13 56.162 0.000 . 1 . . . . 158 ALA CA . 25494 1 1040 . 1 1 146 146 ALA CB C 13 18.000 0.000 . 1 . . . . 158 ALA CB . 25494 1 1041 . 1 1 146 146 ALA N N 15 121.225 0.027 . 1 . . . . 158 ALA N . 25494 1 1042 . 1 1 147 147 VAL H H 1 8.447 0.005 . 1 . . . . 159 VAL H . 25494 1 1043 . 1 1 147 147 VAL HA H 1 3.470 0.000 . 1 . . . . 159 VAL HA . 25494 1 1044 . 1 1 147 147 VAL HB H 1 1.689 0.000 . 1 . . . . 159 VAL HB . 25494 1 1045 . 1 1 147 147 VAL C C 13 178.722 0.000 . 1 . . . . 159 VAL C . 25494 1 1046 . 1 1 147 147 VAL CA C 13 66.832 0.086 . 1 . . . . 159 VAL CA . 25494 1 1047 . 1 1 147 147 VAL CB C 13 30.711 0.000 . 1 . . . . 159 VAL CB . 25494 1 1048 . 1 1 147 147 VAL N N 15 117.120 0.042 . 1 . . . . 159 VAL N . 25494 1 1049 . 1 1 148 148 LYS H H 1 7.794 0.008 . 1 . . . . 160 LYS H . 25494 1 1050 . 1 1 148 148 LYS HA H 1 3.609 0.000 . 1 . . . . 160 LYS HA . 25494 1 1051 . 1 1 148 148 LYS HB2 H 1 1.483 0.000 . 1 . . . . 160 LYS QB . 25494 1 1052 . 1 1 148 148 LYS HB3 H 1 1.483 0.000 . 1 . . . . 160 LYS QB . 25494 1 1053 . 1 1 148 148 LYS C C 13 178.266 0.000 . 1 . . . . 160 LYS C . 25494 1 1054 . 1 1 148 148 LYS CA C 13 60.553 0.000 . 1 . . . . 160 LYS CA . 25494 1 1055 . 1 1 148 148 LYS CB C 13 31.982 0.000 . 1 . . . . 160 LYS CB . 25494 1 1056 . 1 1 148 148 LYS N N 15 123.458 0.039 . 1 . . . . 160 LYS N . 25494 1 1057 . 1 1 149 149 GLN H H 1 8.090 0.006 . 1 . . . . 161 GLN H . 25494 1 1058 . 1 1 149 149 GLN HA H 1 3.905 0.000 . 1 . . . . 161 GLN HA . 25494 1 1059 . 1 1 149 149 GLN HB2 H 1 2.056 0.000 . 2 . . . . 161 GLN HB2 . 25494 1 1060 . 1 1 149 149 GLN HB3 H 1 1.933 0.000 . 2 . . . . 161 GLN HB3 . 25494 1 1061 . 1 1 149 149 GLN C C 13 179.927 0.000 . 1 . . . . 161 GLN C . 25494 1 1062 . 1 1 149 149 GLN CA C 13 60.264 0.000 . 1 . . . . 161 GLN CA . 25494 1 1063 . 1 1 149 149 GLN CB C 13 28.538 0.000 . 1 . . . . 161 GLN CB . 25494 1 1064 . 1 1 149 149 GLN N N 15 117.111 0.038 . 1 . . . . 161 GLN N . 25494 1 1065 . 1 1 150 150 ILE H H 1 8.691 0.006 . 1 . . . . 162 ILE H . 25494 1 1066 . 1 1 150 150 ILE HA H 1 3.497 0.000 . 1 . . . . 162 ILE HA . 25494 1 1067 . 1 1 150 150 ILE HB H 1 1.889 0.000 . 1 . . . . 162 ILE HB . 25494 1 1068 . 1 1 150 150 ILE C C 13 177.532 0.000 . 1 . . . . 162 ILE C . 25494 1 1069 . 1 1 150 150 ILE CA C 13 65.699 0.000 . 1 . . . . 162 ILE CA . 25494 1 1070 . 1 1 150 150 ILE CB C 13 38.137 0.000 . 1 . . . . 162 ILE CB . 25494 1 1071 . 1 1 150 150 ILE N N 15 119.714 0.037 . 1 . . . . 162 ILE N . 25494 1 1072 . 1 1 151 151 SER H H 1 8.287 0.005 . 1 . . . . 163 SER H . 25494 1 1073 . 1 1 151 151 SER HA H 1 4.267 0.000 . 1 . . . . 163 SER HA . 25494 1 1074 . 1 1 151 151 SER HB2 H 1 3.872 0.000 . 1 . . . . 163 SER QB . 25494 1 1075 . 1 1 151 151 SER HB3 H 1 3.872 0.000 . 1 . . . . 163 SER QB . 25494 1 1076 . 1 1 151 151 SER C C 13 175.669 0.000 . 1 . . . . 163 SER C . 25494 1 1077 . 1 1 151 151 SER CA C 13 63.328 0.000 . 1 . . . . 163 SER CA . 25494 1 1078 . 1 1 151 151 SER CB C 13 68.439 0.000 . 1 . . . . 163 SER CB . 25494 1 1079 . 1 1 151 151 SER N N 15 116.688 0.048 . 1 . . . . 163 SER N . 25494 1 1080 . 1 1 152 152 LEU H H 1 7.901 0.003 . 1 . . . . 164 LEU H . 25494 1 1081 . 1 1 152 152 LEU HA H 1 4.230 0.000 . 1 . . . . 164 LEU HA . 25494 1 1082 . 1 1 152 152 LEU HB2 H 1 1.963 0.000 . 1 . . . . 164 LEU QB . 25494 1 1083 . 1 1 152 152 LEU HB3 H 1 1.963 0.000 . 1 . . . . 164 LEU QB . 25494 1 1084 . 1 1 152 152 LEU C C 13 179.917 0.000 . 1 . . . . 164 LEU C . 25494 1 1085 . 1 1 152 152 LEU CA C 13 57.927 0.000 . 1 . . . . 164 LEU CA . 25494 1 1086 . 1 1 152 152 LEU CB C 13 41.345 0.000 . 1 . . . . 164 LEU CB . 25494 1 1087 . 1 1 152 152 LEU N N 15 120.808 0.038 . 1 . . . . 164 LEU N . 25494 1 1088 . 1 1 153 153 VAL H H 1 7.701 0.004 . 1 . . . . 165 VAL H . 25494 1 1089 . 1 1 153 153 VAL HA H 1 3.482 0.000 . 1 . . . . 165 VAL HA . 25494 1 1090 . 1 1 153 153 VAL HB H 1 1.954 0.000 . 1 . . . . 165 VAL HB . 25494 1 1091 . 1 1 153 153 VAL C C 13 179.158 0.000 . 1 . . . . 165 VAL C . 25494 1 1092 . 1 1 153 153 VAL CA C 13 66.069 0.083 . 1 . . . . 165 VAL CA . 25494 1 1093 . 1 1 153 153 VAL CB C 13 31.540 0.000 . 1 . . . . 165 VAL CB . 25494 1 1094 . 1 1 153 153 VAL N N 15 120.456 0.029 . 1 . . . . 165 VAL N . 25494 1 1095 . 1 1 154 154 MET H H 1 8.191 0.005 . 1 . . . . 166 MET H . 25494 1 1096 . 1 1 154 154 MET HA H 1 4.150 0.000 . 1 . . . . 166 MET HA . 25494 1 1097 . 1 1 154 154 MET HB2 H 1 2.320 0.000 . 1 . . . . 166 MET QB . 25494 1 1098 . 1 1 154 154 MET HB3 H 1 2.320 0.000 . 1 . . . . 166 MET QB . 25494 1 1099 . 1 1 154 154 MET C C 13 178.252 0.000 . 1 . . . . 166 MET C . 25494 1 1100 . 1 1 154 154 MET CA C 13 59.213 0.000 . 1 . . . . 166 MET CA . 25494 1 1101 . 1 1 154 154 MET N N 15 120.085 0.051 . 1 . . . . 166 MET N . 25494 1 1102 . 1 1 155 155 LEU H H 1 8.125 0.005 . 1 . . . . 167 LEU H . 25494 1 1103 . 1 1 155 155 LEU HA H 1 4.126 0.000 . 1 . . . . 167 LEU HA . 25494 1 1104 . 1 1 155 155 LEU HB2 H 1 1.723 0.000 . 2 . . . . 167 LEU HB2 . 25494 1 1105 . 1 1 155 155 LEU HB3 H 1 1.685 0.000 . 2 . . . . 167 LEU HB3 . 25494 1 1106 . 1 1 155 155 LEU C C 13 178.636 0.000 . 1 . . . . 167 LEU C . 25494 1 1107 . 1 1 155 155 LEU CA C 13 57.679 0.000 . 1 . . . . 167 LEU CA . 25494 1 1108 . 1 1 155 155 LEU CB C 13 42.285 0.000 . 1 . . . . 167 LEU CB . 25494 1 1109 . 1 1 155 155 LEU N N 15 119.777 0.058 . 1 . . . . 167 LEU N . 25494 1 1110 . 1 1 156 156 GLU H H 1 8.002 0.006 . 1 . . . . 168 GLU H . 25494 1 1111 . 1 1 156 156 GLU HA H 1 4.162 0.000 . 1 . . . . 168 GLU HA . 25494 1 1112 . 1 1 156 156 GLU HB2 H 1 2.177 0.000 . 1 . . . . 168 GLU QB . 25494 1 1113 . 1 1 156 156 GLU HB3 H 1 2.177 0.000 . 1 . . . . 168 GLU QB . 25494 1 1114 . 1 1 156 156 GLU C C 13 178.294 0.000 . 1 . . . . 168 GLU C . 25494 1 1115 . 1 1 156 156 GLU CA C 13 58.765 0.000 . 1 . . . . 168 GLU CA . 25494 1 1116 . 1 1 156 156 GLU CB C 13 29.368 0.000 . 1 . . . . 168 GLU CB . 25494 1 1117 . 1 1 156 156 GLU N N 15 119.316 0.059 . 1 . . . . 168 GLU N . 25494 1 1118 . 1 1 157 157 THR H H 1 8.026 0.005 . 1 . . . . 169 THR H . 25494 1 1119 . 1 1 157 157 THR HA H 1 4.121 0.006 . 1 . . . . 169 THR HA . 25494 1 1120 . 1 1 157 157 THR HB H 1 4.330 0.010 . 1 . . . . 169 THR HB . 25494 1 1121 . 1 1 157 157 THR C C 13 175.890 0.000 . 1 . . . . 169 THR C . 25494 1 1122 . 1 1 157 157 THR CA C 13 65.096 0.085 . 1 . . . . 169 THR CA . 25494 1 1123 . 1 1 157 157 THR CB C 13 69.222 0.092 . 1 . . . . 169 THR CB . 25494 1 1124 . 1 1 157 157 THR N N 15 113.795 0.044 . 1 . . . . 169 THR N . 25494 1 stop_ save_