data_27125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27125 _Entry.Title ; FUS low complexity domain with 12 phosphomimetic S/T to E mutations ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-05 _Entry.Accession_date 2017-06-05 _Entry.Last_release_date 2017-06-05 _Entry.Original_release_date 2017-06-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Veronica Ryan . . . . 27125 2 Nicolas Fawzi . . . . 27125 3 Kathleen Burke . . . . 27125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 27125 '15N chemical shifts' 151 27125 '1H chemical shifts' 151 27125 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-04 2017-06-05 update BMRB 'update entry citation' 27125 1 . . 2017-08-02 2017-06-05 original author 'original release' 27125 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27125 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28790177 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation of the FUS low-complexity domain disrupts phase separation, aggregation, and toxicity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _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 2951 _Citation.Page_last 2967 _Citation.Year 2017 _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 Zachary Monahan Z. . . . 27125 1 2 Veronica Ryan V. H. . . 27125 1 3 Abigail Janke A. M. . . 27125 1 4 Kathleen Burke K. A. . . 27125 1 5 Shannon Rhoads S. N. . . 27125 1 6 Gul Zerze G. H. . . 27125 1 7 Robert O'Meally R. . . . 27125 1 8 Gregory Dignon G. L. . . 27125 1 9 Alexander Conicella A. E. . . 27125 1 10 Wenwei Zheng W. . . . 27125 1 11 Robert Best R. B. . . 27125 1 12 Robert Cole R. N. . . 27125 1 13 Jeetain Mittal J. . . . 27125 1 14 Frank Shewmaker F. . . . 27125 1 15 Nicolas Fawzi N. L. . . 27125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27125 _Assembly.ID 1 _Assembly.Name 'FUS 12E LC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FUS 12E LC' 1 $FUS_12E_LC A . yes 'intrinsically disordered' no no . . . 27125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FUS_12E_LC _Entity.Sf_category entity _Entity.Sf_framecode FUS_12E_LC _Entity.Entry_ID 27125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FUS_12E_LC _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 ; GMASNDYEQQAEQSYGAYPE QPGQGYEQQSEQPYGQQSYS GYEQSTDTSGYGQSSYSSYG QEQNTGYGEQSTPQGYGSTG GYGSEQSEQSSYGQQSSYPG YGQQPAPSSTSGSYGSSEQS SSYGQPQSGSYEQQPSYGGQ QQSYGQQQSYNPPQGYGQQN QYNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is cleavage artifact, reside 2 is residue 1 in FUS' _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 27125 1 2 1 MET . 27125 1 3 2 ALA . 27125 1 4 3 SER . 27125 1 5 4 ASN . 27125 1 6 5 ASP . 27125 1 7 6 TYR . 27125 1 8 7 GLU . 27125 1 9 8 GLN . 27125 1 10 9 GLN . 27125 1 11 10 ALA . 27125 1 12 11 GLU . 27125 1 13 12 GLN . 27125 1 14 13 SER . 27125 1 15 14 TYR . 27125 1 16 15 GLY . 27125 1 17 16 ALA . 27125 1 18 17 TYR . 27125 1 19 18 PRO . 27125 1 20 19 GLU . 27125 1 21 20 GLN . 27125 1 22 21 PRO . 27125 1 23 22 GLY . 27125 1 24 23 GLN . 27125 1 25 24 GLY . 27125 1 26 25 TYR . 27125 1 27 26 GLU . 27125 1 28 27 GLN . 27125 1 29 28 GLN . 27125 1 30 29 SER . 27125 1 31 30 GLU . 27125 1 32 31 GLN . 27125 1 33 32 PRO . 27125 1 34 33 TYR . 27125 1 35 34 GLY . 27125 1 36 35 GLN . 27125 1 37 36 GLN . 27125 1 38 37 SER . 27125 1 39 38 TYR . 27125 1 40 39 SER . 27125 1 41 40 GLY . 27125 1 42 41 TYR . 27125 1 43 42 GLU . 27125 1 44 43 GLN . 27125 1 45 44 SER . 27125 1 46 45 THR . 27125 1 47 46 ASP . 27125 1 48 47 THR . 27125 1 49 48 SER . 27125 1 50 49 GLY . 27125 1 51 50 TYR . 27125 1 52 51 GLY . 27125 1 53 52 GLN . 27125 1 54 53 SER . 27125 1 55 54 SER . 27125 1 56 55 TYR . 27125 1 57 56 SER . 27125 1 58 57 SER . 27125 1 59 58 TYR . 27125 1 60 59 GLY . 27125 1 61 60 GLN . 27125 1 62 61 GLU . 27125 1 63 62 GLN . 27125 1 64 63 ASN . 27125 1 65 64 THR . 27125 1 66 65 GLY . 27125 1 67 66 TYR . 27125 1 68 67 GLY . 27125 1 69 68 GLU . 27125 1 70 69 GLN . 27125 1 71 70 SER . 27125 1 72 71 THR . 27125 1 73 72 PRO . 27125 1 74 73 GLN . 27125 1 75 74 GLY . 27125 1 76 75 TYR . 27125 1 77 76 GLY . 27125 1 78 77 SER . 27125 1 79 78 THR . 27125 1 80 79 GLY . 27125 1 81 80 GLY . 27125 1 82 81 TYR . 27125 1 83 82 GLY . 27125 1 84 83 SER . 27125 1 85 84 GLU . 27125 1 86 85 GLN . 27125 1 87 86 SER . 27125 1 88 87 GLU . 27125 1 89 88 GLN . 27125 1 90 89 SER . 27125 1 91 90 SER . 27125 1 92 91 TYR . 27125 1 93 92 GLY . 27125 1 94 93 GLN . 27125 1 95 94 GLN . 27125 1 96 95 SER . 27125 1 97 96 SER . 27125 1 98 97 TYR . 27125 1 99 98 PRO . 27125 1 100 99 GLY . 27125 1 101 100 TYR . 27125 1 102 101 GLY . 27125 1 103 102 GLN . 27125 1 104 103 GLN . 27125 1 105 104 PRO . 27125 1 106 105 ALA . 27125 1 107 106 PRO . 27125 1 108 107 SER . 27125 1 109 108 SER . 27125 1 110 109 THR . 27125 1 111 110 SER . 27125 1 112 111 GLY . 27125 1 113 112 SER . 27125 1 114 113 TYR . 27125 1 115 114 GLY . 27125 1 116 115 SER . 27125 1 117 116 SER . 27125 1 118 117 GLU . 27125 1 119 118 GLN . 27125 1 120 119 SER . 27125 1 121 120 SER . 27125 1 122 121 SER . 27125 1 123 122 TYR . 27125 1 124 123 GLY . 27125 1 125 124 GLN . 27125 1 126 125 PRO . 27125 1 127 126 GLN . 27125 1 128 127 SER . 27125 1 129 128 GLY . 27125 1 130 129 SER . 27125 1 131 130 TYR . 27125 1 132 131 GLU . 27125 1 133 132 GLN . 27125 1 134 133 GLN . 27125 1 135 134 PRO . 27125 1 136 135 SER . 27125 1 137 136 TYR . 27125 1 138 137 GLY . 27125 1 139 138 GLY . 27125 1 140 139 GLN . 27125 1 141 140 GLN . 27125 1 142 141 GLN . 27125 1 143 142 SER . 27125 1 144 143 TYR . 27125 1 145 144 GLY . 27125 1 146 145 GLN . 27125 1 147 146 GLN . 27125 1 148 147 GLN . 27125 1 149 148 SER . 27125 1 150 149 TYR . 27125 1 151 150 ASN . 27125 1 152 151 PRO . 27125 1 153 152 PRO . 27125 1 154 153 GLN . 27125 1 155 154 GLY . 27125 1 156 155 TYR . 27125 1 157 156 GLY . 27125 1 158 157 GLN . 27125 1 159 158 GLN . 27125 1 160 159 ASN . 27125 1 161 160 GLN . 27125 1 162 161 TYR . 27125 1 163 162 ASN . 27125 1 164 163 SER . 27125 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27125 1 . MET 2 2 27125 1 . ALA 3 3 27125 1 . SER 4 4 27125 1 . ASN 5 5 27125 1 . ASP 6 6 27125 1 . TYR 7 7 27125 1 . GLU 8 8 27125 1 . GLN 9 9 27125 1 . GLN 10 10 27125 1 . ALA 11 11 27125 1 . GLU 12 12 27125 1 . GLN 13 13 27125 1 . SER 14 14 27125 1 . TYR 15 15 27125 1 . GLY 16 16 27125 1 . ALA 17 17 27125 1 . TYR 18 18 27125 1 . PRO 19 19 27125 1 . GLU 20 20 27125 1 . GLN 21 21 27125 1 . PRO 22 22 27125 1 . GLY 23 23 27125 1 . GLN 24 24 27125 1 . GLY 25 25 27125 1 . TYR 26 26 27125 1 . GLU 27 27 27125 1 . GLN 28 28 27125 1 . GLN 29 29 27125 1 . SER 30 30 27125 1 . GLU 31 31 27125 1 . GLN 32 32 27125 1 . PRO 33 33 27125 1 . TYR 34 34 27125 1 . GLY 35 35 27125 1 . GLN 36 36 27125 1 . GLN 37 37 27125 1 . SER 38 38 27125 1 . TYR 39 39 27125 1 . SER 40 40 27125 1 . GLY 41 41 27125 1 . TYR 42 42 27125 1 . GLU 43 43 27125 1 . GLN 44 44 27125 1 . SER 45 45 27125 1 . THR 46 46 27125 1 . ASP 47 47 27125 1 . THR 48 48 27125 1 . SER 49 49 27125 1 . GLY 50 50 27125 1 . TYR 51 51 27125 1 . GLY 52 52 27125 1 . GLN 53 53 27125 1 . SER 54 54 27125 1 . SER 55 55 27125 1 . TYR 56 56 27125 1 . SER 57 57 27125 1 . SER 58 58 27125 1 . TYR 59 59 27125 1 . GLY 60 60 27125 1 . GLN 61 61 27125 1 . GLU 62 62 27125 1 . GLN 63 63 27125 1 . ASN 64 64 27125 1 . THR 65 65 27125 1 . GLY 66 66 27125 1 . TYR 67 67 27125 1 . GLY 68 68 27125 1 . GLU 69 69 27125 1 . GLN 70 70 27125 1 . SER 71 71 27125 1 . THR 72 72 27125 1 . PRO 73 73 27125 1 . GLN 74 74 27125 1 . GLY 75 75 27125 1 . TYR 76 76 27125 1 . GLY 77 77 27125 1 . SER 78 78 27125 1 . THR 79 79 27125 1 . GLY 80 80 27125 1 . GLY 81 81 27125 1 . TYR 82 82 27125 1 . GLY 83 83 27125 1 . SER 84 84 27125 1 . GLU 85 85 27125 1 . GLN 86 86 27125 1 . SER 87 87 27125 1 . GLU 88 88 27125 1 . GLN 89 89 27125 1 . SER 90 90 27125 1 . SER 91 91 27125 1 . TYR 92 92 27125 1 . GLY 93 93 27125 1 . GLN 94 94 27125 1 . GLN 95 95 27125 1 . SER 96 96 27125 1 . SER 97 97 27125 1 . TYR 98 98 27125 1 . PRO 99 99 27125 1 . GLY 100 100 27125 1 . TYR 101 101 27125 1 . GLY 102 102 27125 1 . GLN 103 103 27125 1 . GLN 104 104 27125 1 . PRO 105 105 27125 1 . ALA 106 106 27125 1 . PRO 107 107 27125 1 . SER 108 108 27125 1 . SER 109 109 27125 1 . THR 110 110 27125 1 . SER 111 111 27125 1 . GLY 112 112 27125 1 . SER 113 113 27125 1 . TYR 114 114 27125 1 . GLY 115 115 27125 1 . SER 116 116 27125 1 . SER 117 117 27125 1 . GLU 118 118 27125 1 . GLN 119 119 27125 1 . SER 120 120 27125 1 . SER 121 121 27125 1 . SER 122 122 27125 1 . TYR 123 123 27125 1 . GLY 124 124 27125 1 . GLN 125 125 27125 1 . PRO 126 126 27125 1 . GLN 127 127 27125 1 . SER 128 128 27125 1 . GLY 129 129 27125 1 . SER 130 130 27125 1 . TYR 131 131 27125 1 . GLU 132 132 27125 1 . GLN 133 133 27125 1 . GLN 134 134 27125 1 . PRO 135 135 27125 1 . SER 136 136 27125 1 . TYR 137 137 27125 1 . GLY 138 138 27125 1 . GLY 139 139 27125 1 . GLN 140 140 27125 1 . GLN 141 141 27125 1 . GLN 142 142 27125 1 . SER 143 143 27125 1 . TYR 144 144 27125 1 . GLY 145 145 27125 1 . GLN 146 146 27125 1 . GLN 147 147 27125 1 . GLN 148 148 27125 1 . SER 149 149 27125 1 . TYR 150 150 27125 1 . ASN 151 151 27125 1 . PRO 152 152 27125 1 . PRO 153 153 27125 1 . GLN 154 154 27125 1 . GLY 155 155 27125 1 . TYR 156 156 27125 1 . GLY 157 157 27125 1 . GLN 158 158 27125 1 . GLN 159 159 27125 1 . ASN 160 160 27125 1 . GLN 161 161 27125 1 . TYR 162 162 27125 1 . ASN 163 163 27125 1 . SER 164 164 27125 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 27125 _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 $FUS_12E_LC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27125 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 27125 _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 $FUS_12E_LC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . MBP-FUS_LC_12E_pTHMT . . . 27125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27125 _Sample.ID 1 _Sample.Name . _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 'FUS 12E LC' '[U-99% 13C; U-99% 15N]' . . 1 $FUS_12E_LC . . 100 . . uM . . . . 27125 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 27125 1 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 27125 1 4 'Bis Tris' 'natural abundance' . . . . . . 1 . . mM . . . . 27125 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27125 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27125 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 27125 1 pH 5.5 . pH 27125 1 pressure 1 . atm 27125 1 temperature 298 . K 27125 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27125 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27125 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27125 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27125 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Wuthrich . . 27125 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27125 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 27125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27125 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 'TCI cryoprobe' . . 27125 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 27125 _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 . . . . . . . . . . . . . . . . 27125 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 1 7 '3D HN(CAN)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27125 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 27125 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 0.00 na indirect 1.0 . . . . . 27125 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 27125 1 N 15 na protons . . . . ppm 0.00 na indirect 1.0 . . . . . 27125 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 27125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27125 1 2 '3D CBCA(CO)NH' . . . 27125 1 3 '3D HNCO' . . . 27125 1 4 '3D HNCA' . . . 27125 1 5 '3D HNCACB' . . . 27125 1 6 '3D HNCACO' . . . 27125 1 7 '3D HN(CAN)NH' . . . 27125 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 MET H H 1 8.670 0.020 . 1 . . . . . 1 MET H . 27125 1 2 . 1 . 1 2 2 MET C C 13 175.909 0.3 . 1 . . . . . 1 MET C . 27125 1 3 . 1 . 1 2 2 MET CA C 13 55.512 0.3 . 1 . . . . . 1 MET CA . 27125 1 4 . 1 . 1 2 2 MET CB C 13 32.995 0.3 . 1 . . . . . 1 MET CB . 27125 1 5 . 1 . 1 2 2 MET N N 15 119.993 0.3 . 1 . . . . . 1 MET N . 27125 1 6 . 1 . 1 3 3 ALA H H 1 8.547 0.020 . 1 . . . . . 2 ALA H . 27125 1 7 . 1 . 1 3 3 ALA C C 13 177.594 0.3 . 1 . . . . . 2 ALA C . 27125 1 8 . 1 . 1 3 3 ALA CA C 13 52.401 0.3 . 1 . . . . . 2 ALA CA . 27125 1 9 . 1 . 1 3 3 ALA CB C 13 19.090 0.3 . 1 . . . . . 2 ALA CB . 27125 1 10 . 1 . 1 3 3 ALA N N 15 125.653 0.3 . 1 . . . . . 2 ALA N . 27125 1 11 . 1 . 1 4 4 SER H H 1 8.298 0.020 . 1 . . . . . 3 SER H . 27125 1 12 . 1 . 1 4 4 SER C C 13 174.280 0.3 . 1 . . . . . 3 SER C . 27125 1 13 . 1 . 1 4 4 SER CA C 13 58.282 0.3 . 1 . . . . . 3 SER CA . 27125 1 14 . 1 . 1 4 4 SER CB C 13 63.563 0.3 . 1 . . . . . 3 SER CB . 27125 1 15 . 1 . 1 4 4 SER N N 15 115.038 0.3 . 1 . . . . . 3 SER N . 27125 1 16 . 1 . 1 5 5 ASN H H 1 8.407 0.020 . 1 . . . . . 4 ASN H . 27125 1 17 . 1 . 1 5 5 ASN C C 13 174.829 0.3 . 1 . . . . . 4 ASN C . 27125 1 18 . 1 . 1 5 5 ASN CA C 13 53.100 0.3 . 1 . . . . . 4 ASN CA . 27125 1 19 . 1 . 1 5 5 ASN CB C 13 38.705 0.3 . 1 . . . . . 4 ASN CB . 27125 1 20 . 1 . 1 5 5 ASN N N 15 120.034 0.3 . 1 . . . . . 4 ASN N . 27125 1 21 . 1 . 1 6 6 ASP H H 1 8.221 0.020 . 1 . . . . . 5 ASP H . 27125 1 22 . 1 . 1 6 6 ASP C C 13 176.030 0.3 . 1 . . . . . 5 ASP C . 27125 1 23 . 1 . 1 6 6 ASP CA C 13 54.627 0.3 . 1 . . . . . 5 ASP CA . 27125 1 24 . 1 . 1 6 6 ASP CB C 13 40.635 0.3 . 1 . . . . . 5 ASP CB . 27125 1 25 . 1 . 1 6 6 ASP N N 15 120.227 0.3 . 1 . . . . . 5 ASP N . 27125 1 26 . 1 . 1 7 7 TYR H H 1 8.013 0.020 . 1 . . . . . 6 TYR H . 27125 1 27 . 1 . 1 7 7 TYR C C 13 176.018 0.3 . 1 . . . . . 6 TYR C . 27125 1 28 . 1 . 1 7 7 TYR CA C 13 58.141 0.3 . 1 . . . . . 6 TYR CA . 27125 1 29 . 1 . 1 7 7 TYR CB C 13 38.284 0.3 . 1 . . . . . 6 TYR CB . 27125 1 30 . 1 . 1 7 7 TYR N N 15 119.722 0.3 . 1 . . . . . 6 TYR N . 27125 1 31 . 1 . 1 8 8 GLU H H 1 8.172 0.020 . 1 . . . . . 7 GLU H . 27125 1 32 . 1 . 1 8 8 GLU C C 13 176.347 0.3 . 1 . . . . . 7 GLU C . 27125 1 33 . 1 . 1 8 8 GLU CA C 13 56.636 0.3 . 1 . . . . . 7 GLU CA . 27125 1 34 . 1 . 1 8 8 GLU CB C 13 29.912 0.3 . 1 . . . . . 7 GLU CB . 27125 1 35 . 1 . 1 8 8 GLU N N 15 121.830 0.3 . 1 . . . . . 7 GLU N . 27125 1 36 . 1 . 1 9 9 GLN H H 1 8.239 0.020 . 1 . . . . . 8 GLN H . 27125 1 37 . 1 . 1 9 9 GLN C C 13 176.086 0.3 . 1 . . . . . 8 GLN C . 27125 1 38 . 1 . 1 9 9 GLN CA C 13 56.155 0.3 . 1 . . . . . 8 GLN CA . 27125 1 39 . 1 . 1 9 9 GLN CB C 13 29.055 0.3 . 1 . . . . . 8 GLN CB . 27125 1 40 . 1 . 1 9 9 GLN N N 15 120.957 0.3 . 1 . . . . . 8 GLN N . 27125 1 41 . 1 . 1 10 10 GLN H H 1 8.359 0.020 . 1 . . . . . 9 GLN H . 27125 1 42 . 1 . 1 10 10 GLN C C 13 175.890 0.3 . 1 . . . . . 9 GLN C . 27125 1 43 . 1 . 1 10 10 GLN CA C 13 55.932 0.3 . 1 . . . . . 9 GLN CA . 27125 1 44 . 1 . 1 10 10 GLN CB C 13 29.178 0.3 . 1 . . . . . 9 GLN CB . 27125 1 45 . 1 . 1 10 10 GLN N N 15 121.513 0.3 . 1 . . . . . 9 GLN N . 27125 1 46 . 1 . 1 11 11 ALA H H 1 8.312 0.020 . 1 . . . . . 10 ALA H . 27125 1 47 . 1 . 1 11 11 ALA C C 13 177.892 0.3 . 1 . . . . . 10 ALA C . 27125 1 48 . 1 . 1 11 11 ALA CA C 13 52.720 0.3 . 1 . . . . . 10 ALA CA . 27125 1 49 . 1 . 1 11 11 ALA CB C 13 19.011 0.3 . 1 . . . . . 10 ALA CB . 27125 1 50 . 1 . 1 11 11 ALA N N 15 125.185 0.3 . 1 . . . . . 10 ALA N . 27125 1 51 . 1 . 1 12 12 GLU H H 1 8.360 0.020 . 1 . . . . . 11 GLU H . 27125 1 52 . 1 . 1 12 12 GLU C C 13 176.570 0.3 . 1 . . . . . 11 GLU C . 27125 1 53 . 1 . 1 12 12 GLU CA C 13 56.638 0.3 . 1 . . . . . 11 GLU CA . 27125 1 54 . 1 . 1 12 12 GLU CB C 13 29.779 0.3 . 1 . . . . . 11 GLU CB . 27125 1 55 . 1 . 1 12 12 GLU N N 15 119.914 0.3 . 1 . . . . . 11 GLU N . 27125 1 56 . 1 . 1 13 13 GLN H H 1 8.322 0.020 . 1 . . . . . 12 GLN H . 27125 1 57 . 1 . 1 13 13 GLN C C 13 175.770 0.3 . 1 . . . . . 12 GLN C . 27125 1 58 . 1 . 1 13 13 GLN CA C 13 55.746 0.3 . 1 . . . . . 12 GLN CA . 27125 1 59 . 1 . 1 13 13 GLN CB C 13 29.296 0.3 . 1 . . . . . 12 GLN CB . 27125 1 60 . 1 . 1 13 13 GLN N N 15 121.023 0.3 . 1 . . . . . 12 GLN N . 27125 1 61 . 1 . 1 14 14 SER H H 1 8.244 0.020 . 1 . . . . . 13 SER H . 27125 1 62 . 1 . 1 14 14 SER C C 13 174.187 0.3 . 1 . . . . . 13 SER C . 27125 1 63 . 1 . 1 14 14 SER CA C 13 58.080 0.3 . 1 . . . . . 13 SER CA . 27125 1 64 . 1 . 1 14 14 SER CB C 13 63.699 0.3 . 1 . . . . . 13 SER CB . 27125 1 65 . 1 . 1 14 14 SER N N 15 116.718 0.3 . 1 . . . . . 13 SER N . 27125 1 66 . 1 . 1 15 15 TYR H H 1 8.201 0.020 . 1 . . . . . 14 TYR H . 27125 1 67 . 1 . 1 15 15 TYR C C 13 176.281 0.3 . 1 . . . . . 14 TYR C . 27125 1 68 . 1 . 1 15 15 TYR CA C 13 57.912 0.3 . 1 . . . . . 14 TYR CA . 27125 1 69 . 1 . 1 15 15 TYR CB C 13 38.471 0.3 . 1 . . . . . 14 TYR CB . 27125 1 70 . 1 . 1 15 15 TYR N N 15 122.152 0.3 . 1 . . . . . 14 TYR N . 27125 1 71 . 1 . 1 16 16 GLY H H 1 8.223 0.020 . 1 . . . . . 15 GLY H . 27125 1 72 . 1 . 1 16 16 GLY C C 13 173.285 0.3 . 1 . . . . . 15 GLY C . 27125 1 73 . 1 . 1 16 16 GLY CA C 13 45.029 0.3 . 1 . . . . . 15 GLY CA . 27125 1 74 . 1 . 1 16 16 GLY N N 15 110.459 0.3 . 1 . . . . . 15 GLY N . 27125 1 75 . 1 . 1 17 17 ALA H H 1 7.914 0.020 . 1 . . . . . 16 ALA H . 27125 1 76 . 1 . 1 17 17 ALA C C 13 176.868 0.3 . 1 . . . . . 16 ALA C . 27125 1 77 . 1 . 1 17 17 ALA CA C 13 52.135 0.3 . 1 . . . . . 16 ALA CA . 27125 1 78 . 1 . 1 17 17 ALA CB C 13 19.244 0.3 . 1 . . . . . 16 ALA CB . 27125 1 79 . 1 . 1 17 17 ALA N N 15 123.356 0.3 . 1 . . . . . 16 ALA N . 27125 1 80 . 1 . 1 18 18 TYR H H 1 8.125 0.020 . 1 . . . . . 17 TYR H . 27125 1 81 . 1 . 1 18 18 TYR C C 13 173.964 0.3 . 1 . . . . . 17 TYR C . 27125 1 82 . 1 . 1 18 18 TYR CA C 13 55.512 0.3 . 1 . . . . . 17 TYR CA . 27125 1 83 . 1 . 1 18 18 TYR CB C 13 37.981 0.3 . 1 . . . . . 17 TYR CB . 27125 1 84 . 1 . 1 18 18 TYR N N 15 120.311 0.3 . 1 . . . . . 17 TYR N . 27125 1 85 . 1 . 1 20 20 GLU H H 1 8.399 0.020 . 1 . . . . . 19 GLU H . 27125 1 86 . 1 . 1 20 20 GLU C C 13 176.213 0.3 . 1 . . . . . 19 GLU C . 27125 1 87 . 1 . 1 20 20 GLU CA C 13 56.436 0.3 . 1 . . . . . 19 GLU CA . 27125 1 88 . 1 . 1 20 20 GLU CB C 13 29.555 0.3 . 1 . . . . . 19 GLU CB . 27125 1 89 . 1 . 1 20 20 GLU N N 15 120.815 0.3 . 1 . . . . . 19 GLU N . 27125 1 90 . 1 . 1 21 21 GLN H H 1 8.363 0.020 . 1 . . . . . 20 GLN H . 27125 1 91 . 1 . 1 21 21 GLN C C 13 173.862 0.3 . 1 . . . . . 20 GLN C . 27125 1 92 . 1 . 1 21 21 GLN CA C 13 53.428 0.3 . 1 . . . . . 20 GLN CA . 27125 1 93 . 1 . 1 21 21 GLN CB C 13 28.732 0.3 . 1 . . . . . 20 GLN CB . 27125 1 94 . 1 . 1 21 21 GLN N N 15 122.180 0.3 . 1 . . . . . 20 GLN N . 27125 1 95 . 1 . 1 23 23 GLY H H 1 8.506 0.020 . 1 . . . . . 22 GLY H . 27125 1 96 . 1 . 1 23 23 GLY C C 13 174.141 0.3 . 1 . . . . . 22 GLY C . 27125 1 97 . 1 . 1 23 23 GLY CA C 13 45.192 0.3 . 1 . . . . . 22 GLY CA . 27125 1 98 . 1 . 1 23 23 GLY N N 15 109.405 0.3 . 1 . . . . . 22 GLY N . 27125 1 99 . 1 . 1 24 24 GLN H H 1 8.231 0.020 . 1 . . . . . 23 GLN H . 27125 1 100 . 1 . 1 24 24 GLN C C 13 176.356 0.3 . 1 . . . . . 23 GLN C . 27125 1 101 . 1 . 1 24 24 GLN CA C 13 55.753 0.3 . 1 . . . . . 23 GLN CA . 27125 1 102 . 1 . 1 24 24 GLN CB C 13 29.296 0.3 . 1 . . . . . 23 GLN CB . 27125 1 103 . 1 . 1 24 24 GLN N N 15 119.573 0.3 . 1 . . . . . 23 GLN N . 27125 1 104 . 1 . 1 25 25 GLY H H 1 8.494 0.020 . 1 . . . . . 24 GLY H . 27125 1 105 . 1 . 1 25 25 GLY C C 13 173.862 0.3 . 1 . . . . . 24 GLY C . 27125 1 106 . 1 . 1 25 25 GLY CA C 13 45.063 0.3 . 1 . . . . . 24 GLY CA . 27125 1 107 . 1 . 1 25 25 GLY N N 15 110.091 0.3 . 1 . . . . . 24 GLY N . 27125 1 108 . 1 . 1 26 26 TYR H H 1 8.021 0.020 . 1 . . . . . 25 TYR H . 27125 1 109 . 1 . 1 26 26 TYR C C 13 175.844 0.3 . 1 . . . . . 25 TYR C . 27125 1 110 . 1 . 1 26 26 TYR CA C 13 57.924 0.3 . 1 . . . . . 25 TYR CA . 27125 1 111 . 1 . 1 26 26 TYR CB C 13 38.625 0.3 . 1 . . . . . 25 TYR CB . 27125 1 112 . 1 . 1 26 26 TYR N N 15 119.932 0.3 . 1 . . . . . 25 TYR N . 27125 1 113 . 1 . 1 27 27 GLU H H 1 8.444 0.020 . 1 . . . . . 26 GLU H . 27125 1 114 . 1 . 1 27 27 GLU C C 13 176.095 0.3 . 1 . . . . . 26 GLU C . 27125 1 115 . 1 . 1 27 27 GLU CA C 13 56.508 0.3 . 1 . . . . . 26 GLU CA . 27125 1 116 . 1 . 1 27 27 GLU CB C 13 29.859 0.3 . 1 . . . . . 26 GLU CB . 27125 1 117 . 1 . 1 27 27 GLU N N 15 122.653 0.3 . 1 . . . . . 26 GLU N . 27125 1 118 . 1 . 1 28 28 GLN H H 1 8.329 0.020 . 1 . . . . . 27 GLN H . 27125 1 119 . 1 . 1 28 28 GLN C C 13 175.946 0.3 . 1 . . . . . 27 GLN C . 27125 1 120 . 1 . 1 28 28 GLN CA C 13 56.008 0.3 . 1 . . . . . 27 GLN CA . 27125 1 121 . 1 . 1 28 28 GLN CB C 13 29.377 0.3 . 1 . . . . . 27 GLN CB . 27125 1 122 . 1 . 1 28 28 GLN N N 15 121.404 0.3 . 1 . . . . . 27 GLN N . 27125 1 123 . 1 . 1 29 29 GLN H H 1 8.455 0.020 . 1 . . . . . 28 GLN H . 27125 1 124 . 1 . 1 29 29 GLN C C 13 175.946 0.3 . 1 . . . . . 28 GLN C . 27125 1 125 . 1 . 1 29 29 GLN CA C 13 55.934 0.3 . 1 . . . . . 28 GLN CA . 27125 1 126 . 1 . 1 29 29 GLN CB C 13 29.133 0.3 . 1 . . . . . 28 GLN CB . 27125 1 127 . 1 . 1 29 29 GLN N N 15 121.937 0.3 . 1 . . . . . 28 GLN N . 27125 1 128 . 1 . 1 30 30 SER H H 1 8.358 0.020 . 1 . . . . . 29 SER H . 27125 1 129 . 1 . 1 30 30 SER C C 13 174.327 0.3 . 1 . . . . . 29 SER C . 27125 1 130 . 1 . 1 30 30 SER CA C 13 58.328 0.3 . 1 . . . . . 29 SER CA . 27125 1 131 . 1 . 1 30 30 SER CB C 13 63.794 0.3 . 1 . . . . . 29 SER CB . 27125 1 132 . 1 . 1 30 30 SER N N 15 117.098 0.3 . 1 . . . . . 29 SER N . 27125 1 133 . 1 . 1 31 31 GLU H H 1 8.434 0.020 . 1 . . . . . 30 GLU H . 27125 1 134 . 1 . 1 31 31 GLU C C 13 176.086 0.3 . 1 . . . . . 30 GLU C . 27125 1 135 . 1 . 1 31 31 GLU CA C 13 56.511 0.3 . 1 . . . . . 30 GLU CA . 27125 1 136 . 1 . 1 31 31 GLU CB C 13 29.993 0.3 . 1 . . . . . 30 GLU CB . 27125 1 137 . 1 . 1 31 31 GLU N N 15 122.496 0.3 . 1 . . . . . 30 GLU N . 27125 1 138 . 1 . 1 32 32 GLN H H 1 8.358 0.020 . 1 . . . . . 31 GLN H . 27125 1 139 . 1 . 1 32 32 GLN C C 13 174.010 0.3 . 1 . . . . . 31 GLN C . 27125 1 140 . 1 . 1 32 32 GLN CA C 13 53.403 0.3 . 1 . . . . . 31 GLN CA . 27125 1 141 . 1 . 1 32 32 GLN CB C 13 28.710 0.3 . 1 . . . . . 31 GLN CB . 27125 1 142 . 1 . 1 32 32 GLN N N 15 122.065 0.3 . 1 . . . . . 31 GLN N . 27125 1 143 . 1 . 1 34 34 TYR H H 1 8.217 0.020 . 1 . . . . . 33 TYR H . 27125 1 144 . 1 . 1 34 34 TYR C C 13 176.523 0.3 . 1 . . . . . 33 TYR C . 27125 1 145 . 1 . 1 34 34 TYR CA C 13 58.005 0.3 . 1 . . . . . 33 TYR CA . 27125 1 146 . 1 . 1 34 34 TYR CB C 13 38.464 0.3 . 1 . . . . . 33 TYR CB . 27125 1 147 . 1 . 1 34 34 TYR N N 15 120.370 0.3 . 1 . . . . . 33 TYR N . 27125 1 148 . 1 . 1 35 35 GLY H H 1 8.218 0.020 . 1 . . . . . 34 GLY H . 27125 1 149 . 1 . 1 35 35 GLY C C 13 173.582 0.3 . 1 . . . . . 34 GLY C . 27125 1 150 . 1 . 1 35 35 GLY CA C 13 45.027 0.3 . 1 . . . . . 34 GLY CA . 27125 1 151 . 1 . 1 35 35 GLY N N 15 110.782 0.3 . 1 . . . . . 34 GLY N . 27125 1 152 . 1 . 1 36 36 GLN H H 1 8.133 0.020 . 1 . . . . . 35 GLN H . 27125 1 153 . 1 . 1 36 36 GLN C C 13 175.937 0.3 . 1 . . . . . 35 GLN C . 27125 1 154 . 1 . 1 36 36 GLN CA C 13 55.673 0.3 . 1 . . . . . 35 GLN CA . 27125 1 155 . 1 . 1 36 36 GLN CB C 13 29.216 0.3 . 1 . . . . . 35 GLN CB . 27125 1 156 . 1 . 1 36 36 GLN N N 15 119.803 0.3 . 1 . . . . . 35 GLN N . 27125 1 157 . 1 . 1 37 37 GLN H H 1 8.446 0.020 . 1 . . . . . 36 GLN H . 27125 1 158 . 1 . 1 37 37 GLN C C 13 175.760 0.3 . 1 . . . . . 36 GLN C . 27125 1 159 . 1 . 1 37 37 GLN CA C 13 55.852 0.3 . 1 . . . . . 36 GLN CA . 27125 1 160 . 1 . 1 37 37 GLN CB C 13 29.211 0.3 . 1 . . . . . 36 GLN CB . 27125 1 161 . 1 . 1 37 37 GLN N N 15 121.565 0.3 . 1 . . . . . 36 GLN N . 27125 1 162 . 1 . 1 38 38 SER H H 1 8.277 0.020 . 1 . . . . . 37 SER H . 27125 1 163 . 1 . 1 38 38 SER C C 13 174.150 0.3 . 1 . . . . . 37 SER C . 27125 1 164 . 1 . 1 38 38 SER CA C 13 58.001 0.3 . 1 . . . . . 37 SER CA . 27125 1 165 . 1 . 1 38 38 SER CB C 13 63.735 0.3 . 1 . . . . . 37 SER CB . 27125 1 166 . 1 . 1 38 38 SER N N 15 116.780 0.3 . 1 . . . . . 37 SER N . 27125 1 167 . 1 . 1 39 39 TYR H H 1 8.249 0.020 . 1 . . . . . 38 TYR H . 27125 1 168 . 1 . 1 39 39 TYR C C 13 175.797 0.3 . 1 . . . . . 38 TYR C . 27125 1 169 . 1 . 1 39 39 TYR CA C 13 57.788 0.3 . 1 . . . . . 38 TYR CA . 27125 1 170 . 1 . 1 39 39 TYR CB C 13 38.709 0.3 . 1 . . . . . 38 TYR CB . 27125 1 171 . 1 . 1 39 39 TYR N N 15 122.424 0.3 . 1 . . . . . 38 TYR N . 27125 1 172 . 1 . 1 40 40 SER H H 1 8.364 0.020 . 1 . . . . . 39 SER H . 27125 1 173 . 1 . 1 40 40 SER C C 13 174.643 0.3 . 1 . . . . . 39 SER C . 27125 1 174 . 1 . 1 40 40 SER CA C 13 58.381 0.3 . 1 . . . . . 39 SER CA . 27125 1 175 . 1 . 1 40 40 SER CB C 13 63.721 0.3 . 1 . . . . . 39 SER CB . 27125 1 176 . 1 . 1 40 40 SER N N 15 118.317 0.3 . 1 . . . . . 39 SER N . 27125 1 177 . 1 . 1 41 41 GLY H H 1 7.895 0.020 . 1 . . . . . 40 GLY H . 27125 1 178 . 1 . 1 41 41 GLY C C 13 173.675 0.3 . 1 . . . . . 40 GLY C . 27125 1 179 . 1 . 1 41 41 GLY CA C 13 45.122 0.3 . 1 . . . . . 40 GLY CA . 27125 1 180 . 1 . 1 41 41 GLY N N 15 110.400 0.3 . 1 . . . . . 40 GLY N . 27125 1 181 . 1 . 1 42 42 TYR H H 1 7.957 0.020 . 1 . . . . . 41 TYR H . 27125 1 182 . 1 . 1 42 42 TYR C C 13 175.742 0.3 . 1 . . . . . 41 TYR C . 27125 1 183 . 1 . 1 42 42 TYR CA C 13 57.924 0.3 . 1 . . . . . 41 TYR CA . 27125 1 184 . 1 . 1 42 42 TYR CB C 13 38.544 0.3 . 1 . . . . . 41 TYR CB . 27125 1 185 . 1 . 1 42 42 TYR N N 15 119.817 0.3 . 1 . . . . . 41 TYR N . 27125 1 186 . 1 . 1 43 43 GLU H H 1 8.404 0.020 . 1 . . . . . 42 GLU H . 27125 1 187 . 1 . 1 43 43 GLU C C 13 175.993 0.3 . 1 . . . . . 42 GLU C . 27125 1 188 . 1 . 1 43 43 GLU CA C 13 56.500 0.3 . 1 . . . . . 42 GLU CA . 27125 1 189 . 1 . 1 43 43 GLU CB C 13 29.947 0.3 . 1 . . . . . 42 GLU CB . 27125 1 190 . 1 . 1 43 43 GLU N N 15 122.890 0.3 . 1 . . . . . 42 GLU N . 27125 1 191 . 1 . 1 44 44 GLN H H 1 8.337 0.020 . 1 . . . . . 43 GLN H . 27125 1 192 . 1 . 1 44 44 GLN C C 13 175.937 0.3 . 1 . . . . . 43 GLN C . 27125 1 193 . 1 . 1 44 44 GLN CA C 13 55.937 0.3 . 1 . . . . . 43 GLN CA . 27125 1 194 . 1 . 1 44 44 GLN CB C 13 29.340 0.3 . 1 . . . . . 43 GLN CB . 27125 1 195 . 1 . 1 44 44 GLN N N 15 121.456 0.3 . 1 . . . . . 43 GLN N . 27125 1 196 . 1 . 1 45 45 SER H H 1 8.392 0.020 . 1 . . . . . 44 SER H . 27125 1 197 . 1 . 1 45 45 SER C C 13 174.829 0.3 . 1 . . . . . 44 SER C . 27125 1 198 . 1 . 1 45 45 SER CA C 13 58.207 0.3 . 1 . . . . . 44 SER CA . 27125 1 199 . 1 . 1 45 45 SER CB C 13 63.681 0.3 . 1 . . . . . 44 SER CB . 27125 1 200 . 1 . 1 45 45 SER N N 15 117.262 0.3 . 1 . . . . . 44 SER N . 27125 1 201 . 1 . 1 46 46 THR H H 1 8.227 0.020 . 1 . . . . . 45 THR H . 27125 1 202 . 1 . 1 46 46 THR C C 13 174.252 0.3 . 1 . . . . . 45 THR C . 27125 1 203 . 1 . 1 46 46 THR CA C 13 61.813 0.3 . 1 . . . . . 45 THR CA . 27125 1 204 . 1 . 1 46 46 THR CB C 13 69.692 0.3 . 1 . . . . . 45 THR CB . 27125 1 205 . 1 . 1 46 46 THR N N 15 115.649 0.3 . 1 . . . . . 45 THR N . 27125 1 206 . 1 . 1 47 47 ASP H H 1 8.351 0.020 . 1 . . . . . 46 ASP H . 27125 1 207 . 1 . 1 47 47 ASP C C 13 176.756 0.3 . 1 . . . . . 46 ASP C . 27125 1 208 . 1 . 1 47 47 ASP CA C 13 54.338 0.3 . 1 . . . . . 46 ASP CA . 27125 1 209 . 1 . 1 47 47 ASP CB C 13 40.964 0.3 . 1 . . . . . 46 ASP CB . 27125 1 210 . 1 . 1 47 47 ASP N N 15 122.721 0.3 . 1 . . . . . 46 ASP N . 27125 1 211 . 1 . 1 48 48 THR H H 1 8.230 0.020 . 1 . . . . . 47 THR H . 27125 1 212 . 1 . 1 48 48 THR C C 13 175.165 0.3 . 1 . . . . . 47 THR C . 27125 1 213 . 1 . 1 48 48 THR CA C 13 61.825 0.3 . 1 . . . . . 47 THR CA . 27125 1 214 . 1 . 1 48 48 THR CB C 13 69.048 0.3 . 1 . . . . . 47 THR CB . 27125 1 215 . 1 . 1 48 48 THR N N 15 114.722 0.3 . 1 . . . . . 47 THR N . 27125 1 216 . 1 . 1 49 49 SER H H 1 8.377 0.020 . 1 . . . . . 48 SER H . 27125 1 217 . 1 . 1 49 49 SER C C 13 175.137 0.3 . 1 . . . . . 48 SER C . 27125 1 218 . 1 . 1 49 49 SER CA C 13 59.379 0.3 . 1 . . . . . 48 SER CA . 27125 1 219 . 1 . 1 49 49 SER CB C 13 63.641 0.3 . 1 . . . . . 48 SER CB . 27125 1 220 . 1 . 1 49 49 SER N N 15 118.317 0.3 . 1 . . . . . 48 SER N . 27125 1 221 . 1 . 1 50 50 GLY H H 1 8.335 0.020 . 1 . . . . . 49 GLY H . 27125 1 222 . 1 . 1 50 50 GLY C C 13 174.086 0.3 . 1 . . . . . 49 GLY C . 27125 1 223 . 1 . 1 50 50 GLY CA C 13 45.211 0.3 . 1 . . . . . 49 GLY CA . 27125 1 224 . 1 . 1 50 50 GLY N N 15 110.394 0.3 . 1 . . . . . 49 GLY N . 27125 1 225 . 1 . 1 51 51 TYR H H 1 8.039 0.020 . 1 . . . . . 50 TYR H . 27125 1 226 . 1 . 1 51 51 TYR C C 13 176.644 0.3 . 1 . . . . . 50 TYR C . 27125 1 227 . 1 . 1 51 51 TYR CA C 13 58.085 0.3 . 1 . . . . . 50 TYR CA . 27125 1 228 . 1 . 1 51 51 TYR CB C 13 38.383 0.3 . 1 . . . . . 50 TYR CB . 27125 1 229 . 1 . 1 51 51 TYR N N 15 120.182 0.3 . 1 . . . . . 50 TYR N . 27125 1 230 . 1 . 1 52 52 GLY H H 1 8.371 0.020 . 1 . . . . . 51 GLY H . 27125 1 231 . 1 . 1 52 52 GLY C C 13 174.113 0.3 . 1 . . . . . 51 GLY C . 27125 1 232 . 1 . 1 52 52 GLY CA C 13 45.194 0.3 . 1 . . . . . 51 GLY CA . 27125 1 233 . 1 . 1 52 52 GLY N N 15 110.789 0.3 . 1 . . . . . 51 GLY N . 27125 1 234 . 1 . 1 53 53 GLN H H 1 8.145 0.020 . 1 . . . . . 52 GLN H . 27125 1 235 . 1 . 1 53 53 GLN C C 13 176.160 0.3 . 1 . . . . . 52 GLN C . 27125 1 236 . 1 . 1 53 53 GLN CA C 13 55.834 0.3 . 1 . . . . . 52 GLN CA . 27125 1 237 . 1 . 1 53 53 GLN CB C 13 29.216 0.3 . 1 . . . . . 52 GLN CB . 27125 1 238 . 1 . 1 53 53 GLN N N 15 119.694 0.3 . 1 . . . . . 52 GLN N . 27125 1 239 . 1 . 1 54 54 SER H H 1 8.406 0.020 . 1 . . . . . 53 SER H . 27125 1 240 . 1 . 1 54 54 SER C C 13 174.532 0.3 . 1 . . . . . 53 SER C . 27125 1 241 . 1 . 1 54 54 SER CA C 13 58.366 0.3 . 1 . . . . . 53 SER CA . 27125 1 242 . 1 . 1 54 54 SER CB C 13 63.733 0.3 . 1 . . . . . 53 SER CB . 27125 1 243 . 1 . 1 54 54 SER N N 15 116.873 0.3 . 1 . . . . . 53 SER N . 27125 1 244 . 1 . 1 55 55 SER H H 1 8.284 0.020 . 1 . . . . . 54 SER H . 27125 1 245 . 1 . 1 55 55 SER C C 13 174.094 0.3 . 1 . . . . . 54 SER C . 27125 1 246 . 1 . 1 55 55 SER CA C 13 58.303 0.3 . 1 . . . . . 54 SER CA . 27125 1 247 . 1 . 1 55 55 SER CB C 13 63.583 0.3 . 1 . . . . . 54 SER CB . 27125 1 248 . 1 . 1 55 55 SER N N 15 117.480 0.3 . 1 . . . . . 54 SER N . 27125 1 249 . 1 . 1 56 56 TYR H H 1 8.131 0.020 . 1 . . . . . 55 TYR H . 27125 1 250 . 1 . 1 56 56 TYR C C 13 175.770 0.3 . 1 . . . . . 55 TYR C . 27125 1 251 . 1 . 1 56 56 TYR CA C 13 58.208 0.3 . 1 . . . . . 55 TYR CA . 27125 1 252 . 1 . 1 56 56 TYR CB C 13 38.551 0.3 . 1 . . . . . 55 TYR CB . 27125 1 253 . 1 . 1 56 56 TYR N N 15 121.957 0.3 . 1 . . . . . 55 TYR N . 27125 1 254 . 1 . 1 57 57 SER H H 1 8.111 0.020 . 1 . . . . . 56 SER H . 27125 1 255 . 1 . 1 57 57 SER C C 13 174.215 0.3 . 1 . . . . . 56 SER C . 27125 1 256 . 1 . 1 57 57 SER CA C 13 58.065 0.3 . 1 . . . . . 56 SER CA . 27125 1 257 . 1 . 1 57 57 SER CB C 13 63.901 0.3 . 1 . . . . . 56 SER CB . 27125 1 258 . 1 . 1 57 57 SER N N 15 117.294 0.3 . 1 . . . . . 56 SER N . 27125 1 259 . 1 . 1 58 58 SER H H 1 8.192 0.020 . 1 . . . . . 57 SER H . 27125 1 260 . 1 . 1 58 58 SER C C 13 174.159 0.3 . 1 . . . . . 57 SER C . 27125 1 261 . 1 . 1 58 58 SER CA C 13 58.317 0.3 . 1 . . . . . 57 SER CA . 27125 1 262 . 1 . 1 58 58 SER CB C 13 63.600 0.3 . 1 . . . . . 57 SER CB . 27125 1 263 . 1 . 1 58 58 SER N N 15 117.742 0.3 . 1 . . . . . 57 SER N . 27125 1 264 . 1 . 1 59 59 TYR H H 1 8.118 0.020 . 1 . . . . . 58 TYR H . 27125 1 265 . 1 . 1 59 59 TYR C C 13 176.421 0.3 . 1 . . . . . 58 TYR C . 27125 1 266 . 1 . 1 59 59 TYR CA C 13 58.206 0.3 . 1 . . . . . 58 TYR CA . 27125 1 267 . 1 . 1 59 59 TYR CB C 13 38.471 0.3 . 1 . . . . . 58 TYR CB . 27125 1 268 . 1 . 1 59 59 TYR N N 15 121.933 0.3 . 1 . . . . . 58 TYR N . 27125 1 269 . 1 . 1 60 60 GLY H H 1 8.315 0.020 . 1 . . . . . 59 GLY H . 27125 1 270 . 1 . 1 60 60 GLY C C 13 173.964 0.3 . 1 . . . . . 59 GLY C . 27125 1 271 . 1 . 1 60 60 GLY CA C 13 45.128 0.3 . 1 . . . . . 59 GLY CA . 27125 1 272 . 1 . 1 60 60 GLY N N 15 110.883 0.3 . 1 . . . . . 59 GLY N . 27125 1 273 . 1 . 1 61 61 GLN H H 1 8.130 0.020 . 1 . . . . . 60 GLN H . 27125 1 274 . 1 . 1 61 61 GLN C C 13 176.135 0.3 . 1 . . . . . 60 GLN C . 27125 1 275 . 1 . 1 61 61 GLN CA C 13 55.767 0.3 . 1 . . . . . 60 GLN CA . 27125 1 276 . 1 . 1 61 61 GLN CB C 13 29.278 0.3 . 1 . . . . . 60 GLN CB . 27125 1 277 . 1 . 1 61 61 GLN N N 15 119.585 0.3 . 1 . . . . . 60 GLN N . 27125 1 278 . 1 . 1 62 62 GLU H H 1 8.590 0.020 . 1 . . . . . 61 GLU H . 27125 1 279 . 1 . 1 62 62 GLU C C 13 176.486 0.3 . 1 . . . . . 61 GLU C . 27125 1 280 . 1 . 1 62 62 GLU CA C 13 56.959 0.3 . 1 . . . . . 61 GLU CA . 27125 1 281 . 1 . 1 62 62 GLU CB C 13 29.583 0.3 . 1 . . . . . 61 GLU CB . 27125 1 282 . 1 . 1 62 62 GLU N N 15 121.904 0.3 . 1 . . . . . 61 GLU N . 27125 1 283 . 1 . 1 63 63 GLN H H 1 8.398 0.020 . 1 . . . . . 62 GLN H . 27125 1 284 . 1 . 1 63 63 GLN C C 13 175.631 0.3 . 1 . . . . . 62 GLN C . 27125 1 285 . 1 . 1 63 63 GLN CA C 13 55.691 0.3 . 1 . . . . . 62 GLN CA . 27125 1 286 . 1 . 1 63 63 GLN CB C 13 29.397 0.3 . 1 . . . . . 62 GLN CB . 27125 1 287 . 1 . 1 63 63 GLN N N 15 120.845 0.3 . 1 . . . . . 62 GLN N . 27125 1 288 . 1 . 1 64 64 ASN H H 1 8.492 0.020 . 1 . . . . . 63 ASN H . 27125 1 289 . 1 . 1 64 64 ASN C C 13 175.397 0.3 . 1 . . . . . 63 ASN C . 27125 1 290 . 1 . 1 64 64 ASN CA C 13 53.100 0.3 . 1 . . . . . 63 ASN CA . 27125 1 291 . 1 . 1 64 64 ASN CB C 13 38.544 0.3 . 1 . . . . . 63 ASN CB . 27125 1 292 . 1 . 1 64 64 ASN N N 15 119.952 0.3 . 1 . . . . . 63 ASN N . 27125 1 293 . 1 . 1 65 65 THR H H 1 8.167 0.020 . 1 . . . . . 64 THR H . 27125 1 294 . 1 . 1 65 65 THR C C 13 175.071 0.3 . 1 . . . . . 64 THR C . 27125 1 295 . 1 . 1 65 65 THR CA C 13 62.041 0.3 . 1 . . . . . 64 THR CA . 27125 1 296 . 1 . 1 65 65 THR CB C 13 69.567 0.3 . 1 . . . . . 64 THR CB . 27125 1 297 . 1 . 1 65 65 THR N N 15 113.959 0.3 . 1 . . . . . 64 THR N . 27125 1 298 . 1 . 1 66 66 GLY H H 1 8.380 0.020 . 1 . . . . . 65 GLY H . 27125 1 299 . 1 . 1 66 66 GLY C C 13 173.874 0.3 . 1 . . . . . 65 GLY C . 27125 1 300 . 1 . 1 66 66 GLY CA C 13 45.141 0.3 . 1 . . . . . 65 GLY CA . 27125 1 301 . 1 . 1 66 66 GLY N N 15 110.807 0.3 . 1 . . . . . 65 GLY N . 27125 1 302 . 1 . 1 67 67 TYR H H 1 8.082 0.020 . 1 . . . . . 66 TYR H . 27125 1 303 . 1 . 1 67 67 TYR C C 13 176.393 0.3 . 1 . . . . . 66 TYR C . 27125 1 304 . 1 . 1 67 67 TYR CA C 13 58.005 0.3 . 1 . . . . . 66 TYR CA . 27125 1 305 . 1 . 1 67 67 TYR CB C 13 38.625 0.3 . 1 . . . . . 66 TYR CB . 27125 1 306 . 1 . 1 67 67 TYR N N 15 120.095 0.3 . 1 . . . . . 66 TYR N . 27125 1 307 . 1 . 1 68 68 GLY H H 1 8.337 0.020 . 1 . . . . . 67 GLY H . 27125 1 308 . 1 . 1 68 68 GLY C C 13 174.073 0.3 . 1 . . . . . 67 GLY C . 27125 1 309 . 1 . 1 68 68 GLY CA C 13 45.216 0.3 . 1 . . . . . 67 GLY CA . 27125 1 310 . 1 . 1 68 68 GLY N N 15 110.795 0.3 . 1 . . . . . 67 GLY N . 27125 1 311 . 1 . 1 69 69 GLU H H 1 8.268 0.020 . 1 . . . . . 68 GLU H . 27125 1 312 . 1 . 1 69 69 GLU C C 13 176.598 0.3 . 1 . . . . . 68 GLU C . 27125 1 313 . 1 . 1 69 69 GLU CA C 13 56.557 0.3 . 1 . . . . . 68 GLU CA . 27125 1 314 . 1 . 1 69 69 GLU CB C 13 29.859 0.3 . 1 . . . . . 68 GLU CB . 27125 1 315 . 1 . 1 69 69 GLU N N 15 120.752 0.3 . 1 . . . . . 68 GLU N . 27125 1 316 . 1 . 1 70 70 GLN H H 1 8.470 0.020 . 1 . . . . . 69 GLN H . 27125 1 317 . 1 . 1 70 70 GLN C C 13 175.881 0.3 . 1 . . . . . 69 GLN C . 27125 1 318 . 1 . 1 70 70 GLN CA C 13 55.723 0.3 . 1 . . . . . 69 GLN CA . 27125 1 319 . 1 . 1 70 70 GLN CB C 13 29.260 0.3 . 1 . . . . . 69 GLN CB . 27125 1 320 . 1 . 1 70 70 GLN N N 15 121.034 0.3 . 1 . . . . . 69 GLN N . 27125 1 321 . 1 . 1 71 71 SER H H 1 8.345 0.020 . 1 . . . . . 70 SER H . 27125 1 322 . 1 . 1 71 71 SER C C 13 174.215 0.3 . 1 . . . . . 70 SER C . 27125 1 323 . 1 . 1 71 71 SER CA C 13 58.197 0.3 . 1 . . . . . 70 SER CA . 27125 1 324 . 1 . 1 71 71 SER CB C 13 63.718 0.3 . 1 . . . . . 70 SER CB . 27125 1 325 . 1 . 1 71 71 SER N N 15 117.096 0.3 . 1 . . . . . 70 SER N . 27125 1 326 . 1 . 1 72 72 THR H H 1 8.174 0.020 . 1 . . . . . 71 THR H . 27125 1 327 . 1 . 1 72 72 THR C C 13 172.838 0.3 . 1 . . . . . 71 THR C . 27125 1 328 . 1 . 1 72 72 THR CA C 13 59.698 0.3 . 1 . . . . . 71 THR CA . 27125 1 329 . 1 . 1 72 72 THR CB C 13 69.612 0.3 . 1 . . . . . 71 THR CB . 27125 1 330 . 1 . 1 72 72 THR N N 15 117.818 0.3 . 1 . . . . . 71 THR N . 27125 1 331 . 1 . 1 74 74 GLN H H 1 8.470 0.020 . 1 . . . . . 73 GLN H . 27125 1 332 . 1 . 1 74 74 GLN C C 13 176.458 0.3 . 1 . . . . . 73 GLN C . 27125 1 333 . 1 . 1 74 74 GLN CA C 13 55.974 0.3 . 1 . . . . . 73 GLN CA . 27125 1 334 . 1 . 1 74 74 GLN CB C 13 29.249 0.3 . 1 . . . . . 73 GLN CB . 27125 1 335 . 1 . 1 74 74 GLN N N 15 120.616 0.3 . 1 . . . . . 73 GLN N . 27125 1 336 . 1 . 1 75 75 GLY H H 1 8.345 0.020 . 1 . . . . . 74 GLY H . 27125 1 337 . 1 . 1 75 75 GLY C C 13 173.842 0.3 . 1 . . . . . 74 GLY C . 27125 1 338 . 1 . 1 75 75 GLY CA C 13 45.015 0.3 . 1 . . . . . 74 GLY CA . 27125 1 339 . 1 . 1 75 75 GLY N N 15 109.950 0.3 . 1 . . . . . 74 GLY N . 27125 1 340 . 1 . 1 76 76 TYR H H 1 8.094 0.020 . 1 . . . . . 75 TYR H . 27125 1 341 . 1 . 1 76 76 TYR C C 13 176.477 0.3 . 1 . . . . . 75 TYR C . 27125 1 342 . 1 . 1 76 76 TYR CA C 13 58.092 0.3 . 1 . . . . . 75 TYR CA . 27125 1 343 . 1 . 1 76 76 TYR CB C 13 38.625 0.3 . 1 . . . . . 75 TYR CB . 27125 1 344 . 1 . 1 76 76 TYR N N 15 120.224 0.3 . 1 . . . . . 75 TYR N . 27125 1 345 . 1 . 1 77 77 GLY H H 1 8.390 0.020 . 1 . . . . . 76 GLY H . 27125 1 346 . 1 . 1 77 77 GLY C C 13 174.150 0.3 . 1 . . . . . 76 GLY C . 27125 1 347 . 1 . 1 77 77 GLY CA C 13 45.200 0.3 . 1 . . . . . 76 GLY CA . 27125 1 348 . 1 . 1 77 77 GLY N N 15 110.940 0.3 . 1 . . . . . 76 GLY N . 27125 1 349 . 1 . 1 78 78 SER H H 1 8.212 0.020 . 1 . . . . . 77 SER H . 27125 1 350 . 1 . 1 78 78 SER C C 13 175.099 0.3 . 1 . . . . . 77 SER C . 27125 1 351 . 1 . 1 78 78 SER CA C 13 58.289 0.3 . 1 . . . . . 77 SER CA . 27125 1 352 . 1 . 1 78 78 SER CB C 13 63.716 0.3 . 1 . . . . . 77 SER CB . 27125 1 353 . 1 . 1 78 78 SER N N 15 115.654 0.3 . 1 . . . . . 77 SER N . 27125 1 354 . 1 . 1 79 79 THR H H 1 8.253 0.020 . 1 . . . . . 78 THR H . 27125 1 355 . 1 . 1 79 79 THR C C 13 175.155 0.3 . 1 . . . . . 78 THR C . 27125 1 356 . 1 . 1 79 79 THR CA C 13 61.900 0.3 . 1 . . . . . 78 THR CA . 27125 1 357 . 1 . 1 79 79 THR CB C 13 69.566 0.3 . 1 . . . . . 78 THR CB . 27125 1 358 . 1 . 1 79 79 THR N N 15 114.953 0.3 . 1 . . . . . 78 THR N . 27125 1 359 . 1 . 1 80 80 GLY H H 1 8.346 0.020 . 1 . . . . . 79 GLY H . 27125 1 360 . 1 . 1 80 80 GLY C C 13 174.357 0.3 . 1 . . . . . 79 GLY C . 27125 1 361 . 1 . 1 80 80 GLY CA C 13 45.303 0.3 . 1 . . . . . 79 GLY CA . 27125 1 362 . 1 . 1 80 80 GLY N N 15 110.773 0.3 . 1 . . . . . 79 GLY N . 27125 1 363 . 1 . 1 81 81 GLY H H 1 8.167 0.020 . 1 . . . . . 80 GLY H . 27125 1 364 . 1 . 1 81 81 GLY C C 13 173.899 0.3 . 1 . . . . . 80 GLY C . 27125 1 365 . 1 . 1 81 81 GLY CA C 13 44.909 0.3 . 1 . . . . . 80 GLY CA . 27125 1 366 . 1 . 1 81 81 GLY N N 15 108.411 0.3 . 1 . . . . . 80 GLY N . 27125 1 367 . 1 . 1 82 82 TYR H H 1 8.143 0.020 . 1 . . . . . 81 TYR H . 27125 1 368 . 1 . 1 82 82 TYR C C 13 176.523 0.3 . 1 . . . . . 81 TYR C . 27125 1 369 . 1 . 1 82 82 TYR CA C 13 58.085 0.3 . 1 . . . . . 81 TYR CA . 27125 1 370 . 1 . 1 82 82 TYR CB C 13 38.544 0.3 . 1 . . . . . 81 TYR CB . 27125 1 371 . 1 . 1 82 82 TYR N N 15 120.187 0.3 . 1 . . . . . 81 TYR N . 27125 1 372 . 1 . 1 83 83 GLY H H 1 8.444 0.020 . 1 . . . . . 82 GLY H . 27125 1 373 . 1 . 1 83 83 GLY C C 13 174.234 0.3 . 1 . . . . . 82 GLY C . 27125 1 374 . 1 . 1 83 83 GLY CA C 13 45.224 0.3 . 1 . . . . . 82 GLY CA . 27125 1 375 . 1 . 1 83 83 GLY N N 15 111.303 0.3 . 1 . . . . . 82 GLY N . 27125 1 376 . 1 . 1 84 84 SER H H 1 8.168 0.020 . 1 . . . . . 83 SER H . 27125 1 377 . 1 . 1 84 84 SER C C 13 174.746 0.3 . 1 . . . . . 83 SER C . 27125 1 378 . 1 . 1 84 84 SER CA C 13 58.449 0.3 . 1 . . . . . 83 SER CA . 27125 1 379 . 1 . 1 84 84 SER CB C 13 63.824 0.3 . 1 . . . . . 83 SER CB . 27125 1 380 . 1 . 1 84 84 SER N N 15 115.665 0.3 . 1 . . . . . 83 SER N . 27125 1 381 . 1 . 1 85 85 GLU H H 1 8.623 0.020 . 1 . . . . . 84 GLU H . 27125 1 382 . 1 . 1 85 85 GLU C C 13 176.607 0.3 . 1 . . . . . 84 GLU C . 27125 1 383 . 1 . 1 85 85 GLU CA C 13 56.929 0.3 . 1 . . . . . 84 GLU CA . 27125 1 384 . 1 . 1 85 85 GLU CB C 13 29.545 0.3 . 1 . . . . . 84 GLU CB . 27125 1 385 . 1 . 1 85 85 GLU N N 15 122.553 0.3 . 1 . . . . . 84 GLU N . 27125 1 386 . 1 . 1 86 86 GLN H H 1 8.353 0.020 . 1 . . . . . 85 GLN H . 27125 1 387 . 1 . 1 86 86 GLN C C 13 176.078 0.3 . 1 . . . . . 85 GLN C . 27125 1 388 . 1 . 1 86 86 GLN CA C 13 55.825 0.3 . 1 . . . . . 85 GLN CA . 27125 1 389 . 1 . 1 86 86 GLN CB C 13 29.205 0.3 . 1 . . . . . 85 GLN CB . 27125 1 390 . 1 . 1 86 86 GLN N N 15 120.837 0.3 . 1 . . . . . 85 GLN N . 27125 1 391 . 1 . 1 87 87 SER H H 1 8.293 0.020 . 1 . . . . . 86 SER H . 27125 1 392 . 1 . 1 87 87 SER C C 13 174.714 0.3 . 1 . . . . . 86 SER C . 27125 1 393 . 1 . 1 87 87 SER CA C 13 58.484 0.3 . 1 . . . . . 86 SER CA . 27125 1 394 . 1 . 1 87 87 SER CB C 13 63.797 0.3 . 1 . . . . . 86 SER CB . 27125 1 395 . 1 . 1 87 87 SER N N 15 116.861 0.3 . 1 . . . . . 86 SER N . 27125 1 396 . 1 . 1 88 88 GLU H H 1 8.477 0.020 . 1 . . . . . 87 GLU H . 27125 1 397 . 1 . 1 88 88 GLU C C 13 176.663 0.3 . 1 . . . . . 87 GLU C . 27125 1 398 . 1 . 1 88 88 GLU CA C 13 56.805 0.3 . 1 . . . . . 87 GLU CA . 27125 1 399 . 1 . 1 88 88 GLU CB C 13 29.786 0.3 . 1 . . . . . 87 GLU CB . 27125 1 400 . 1 . 1 88 88 GLU N N 15 122.667 0.3 . 1 . . . . . 87 GLU N . 27125 1 401 . 1 . 1 89 89 GLN H H 1 8.353 0.020 . 1 . . . . . 88 GLN H . 27125 1 402 . 1 . 1 89 89 GLN C C 13 176.240 0.3 . 1 . . . . . 88 GLN C . 27125 1 403 . 1 . 1 89 89 GLN CA C 13 55.956 0.3 . 1 . . . . . 88 GLN CA . 27125 1 404 . 1 . 1 89 89 GLN CB C 13 29.205 0.3 . 1 . . . . . 88 GLN CB . 27125 1 405 . 1 . 1 89 89 GLN N N 15 120.776 0.3 . 1 . . . . . 88 GLN N . 27125 1 406 . 1 . 1 90 90 SER H H 1 8.301 0.020 . 1 . . . . . 89 SER H . 27125 1 407 . 1 . 1 90 90 SER C C 13 174.690 0.3 . 1 . . . . . 89 SER C . 27125 1 408 . 1 . 1 90 90 SER CA C 13 58.493 0.3 . 1 . . . . . 89 SER CA . 27125 1 409 . 1 . 1 90 90 SER CB C 13 63.701 0.3 . 1 . . . . . 89 SER CB . 27125 1 410 . 1 . 1 90 90 SER N N 15 116.643 0.3 . 1 . . . . . 89 SER N . 27125 1 411 . 1 . 1 91 91 SER H H 1 8.252 0.020 . 1 . . . . . 90 SER H . 27125 1 412 . 1 . 1 91 91 SER C C 13 174.336 0.3 . 1 . . . . . 90 SER C . 27125 1 413 . 1 . 1 91 91 SER CA C 13 58.492 0.3 . 1 . . . . . 90 SER CA . 27125 1 414 . 1 . 1 91 91 SER CB C 13 63.588 0.3 . 1 . . . . . 90 SER CB . 27125 1 415 . 1 . 1 91 91 SER N N 15 117.468 0.3 . 1 . . . . . 90 SER N . 27125 1 416 . 1 . 1 92 92 TYR H H 1 8.118 0.020 . 1 . . . . . 91 TYR H . 27125 1 417 . 1 . 1 92 92 TYR C C 13 176.477 0.3 . 1 . . . . . 91 TYR C . 27125 1 418 . 1 . 1 92 92 TYR CA C 13 58.308 0.3 . 1 . . . . . 91 TYR CA . 27125 1 419 . 1 . 1 92 92 TYR CB C 13 38.412 0.3 . 1 . . . . . 91 TYR CB . 27125 1 420 . 1 . 1 92 92 TYR N N 15 121.868 0.3 . 1 . . . . . 91 TYR N . 27125 1 421 . 1 . 1 93 93 GLY H H 1 8.249 0.020 . 1 . . . . . 92 GLY H . 27125 1 422 . 1 . 1 93 93 GLY C C 13 174.141 0.3 . 1 . . . . . 92 GLY C . 27125 1 423 . 1 . 1 93 93 GLY CA C 13 45.250 0.3 . 1 . . . . . 92 GLY CA . 27125 1 424 . 1 . 1 93 93 GLY N N 15 110.274 0.3 . 1 . . . . . 92 GLY N . 27125 1 425 . 1 . 1 94 94 GLN H H 1 8.143 0.020 . 1 . . . . . 93 GLN H . 27125 1 426 . 1 . 1 94 94 GLN C C 13 176.154 0.3 . 1 . . . . . 93 GLN C . 27125 1 427 . 1 . 1 94 94 GLN CA C 13 55.834 0.3 . 1 . . . . . 93 GLN CA . 27125 1 428 . 1 . 1 94 94 GLN CB C 13 29.135 0.3 . 1 . . . . . 93 GLN CB . 27125 1 429 . 1 . 1 94 94 GLN N N 15 119.731 0.3 . 1 . . . . . 93 GLN N . 27125 1 430 . 1 . 1 95 95 GLN H H 1 8.453 0.020 . 1 . . . . . 94 GLN H . 27125 1 431 . 1 . 1 95 95 GLN C C 13 175.984 0.3 . 1 . . . . . 94 GLN C . 27125 1 432 . 1 . 1 95 95 GLN CA C 13 55.959 0.3 . 1 . . . . . 94 GLN CA . 27125 1 433 . 1 . 1 95 95 GLN CB C 13 29.060 0.3 . 1 . . . . . 94 GLN CB . 27125 1 434 . 1 . 1 95 95 GLN N N 15 121.366 0.3 . 1 . . . . . 94 GLN N . 27125 1 435 . 1 . 1 96 96 SER H H 1 8.310 0.020 . 1 . . . . . 95 SER H . 27125 1 436 . 1 . 1 96 96 SER C C 13 174.262 0.3 . 1 . . . . . 95 SER C . 27125 1 437 . 1 . 1 96 96 SER CA C 13 58.341 0.3 . 1 . . . . . 95 SER CA . 27125 1 438 . 1 . 1 96 96 SER CB C 13 63.656 0.3 . 1 . . . . . 95 SER CB . 27125 1 439 . 1 . 1 96 96 SER N N 15 116.560 0.3 . 1 . . . . . 95 SER N . 27125 1 440 . 1 . 1 97 97 SER H H 1 8.152 0.020 . 1 . . . . . 96 SER H . 27125 1 441 . 1 . 1 97 97 SER C C 13 173.443 0.3 . 1 . . . . . 96 SER C . 27125 1 442 . 1 . 1 97 97 SER CA C 13 58.145 0.3 . 1 . . . . . 96 SER CA . 27125 1 443 . 1 . 1 97 97 SER CB C 13 63.709 0.3 . 1 . . . . . 96 SER CB . 27125 1 444 . 1 . 1 97 97 SER N N 15 117.087 0.3 . 1 . . . . . 96 SER N . 27125 1 445 . 1 . 1 98 98 TYR H H 1 8.083 0.020 . 1 . . . . . 97 TYR H . 27125 1 446 . 1 . 1 98 98 TYR C C 13 174.076 0.3 . 1 . . . . . 97 TYR C . 27125 1 447 . 1 . 1 98 98 TYR CA C 13 55.414 0.3 . 1 . . . . . 97 TYR CA . 27125 1 448 . 1 . 1 98 98 TYR CB C 13 37.947 0.3 . 1 . . . . . 97 TYR CB . 27125 1 449 . 1 . 1 98 98 TYR N N 15 122.816 0.3 . 1 . . . . . 97 TYR N . 27125 1 450 . 1 . 1 100 100 GLY H H 1 7.929 0.020 . 1 . . . . . 99 GLY H . 27125 1 451 . 1 . 1 100 100 GLY C C 13 173.871 0.3 . 1 . . . . . 99 GLY C . 27125 1 452 . 1 . 1 100 100 GLY CA C 13 45.053 0.3 . 1 . . . . . 99 GLY CA . 27125 1 453 . 1 . 1 100 100 GLY N N 15 108.645 0.3 . 1 . . . . . 99 GLY N . 27125 1 454 . 1 . 1 101 101 TYR H H 1 7.926 0.020 . 1 . . . . . 100 TYR H . 27125 1 455 . 1 . 1 101 101 TYR C C 13 176.440 0.3 . 1 . . . . . 100 TYR C . 27125 1 456 . 1 . 1 101 101 TYR CA C 13 58.215 0.3 . 1 . . . . . 100 TYR CA . 27125 1 457 . 1 . 1 101 101 TYR CB C 13 38.464 0.3 . 1 . . . . . 100 TYR CB . 27125 1 458 . 1 . 1 101 101 TYR N N 15 120.098 0.3 . 1 . . . . . 100 TYR N . 27125 1 459 . 1 . 1 102 102 GLY H H 1 8.360 0.020 . 1 . . . . . 101 GLY H . 27125 1 460 . 1 . 1 102 102 GLY C C 13 173.889 0.3 . 1 . . . . . 101 GLY C . 27125 1 461 . 1 . 1 102 102 GLY CA C 13 45.163 0.3 . 1 . . . . . 101 GLY CA . 27125 1 462 . 1 . 1 102 102 GLY N N 15 111.239 0.3 . 1 . . . . . 101 GLY N . 27125 1 463 . 1 . 1 103 103 GLN H H 1 8.086 0.020 . 1 . . . . . 102 GLN H . 27125 1 464 . 1 . 1 103 103 GLN C C 13 175.704 0.3 . 1 . . . . . 102 GLN C . 27125 1 465 . 1 . 1 103 103 GLN CA C 13 55.432 0.3 . 1 . . . . . 102 GLN CA . 27125 1 466 . 1 . 1 103 103 GLN CB C 13 29.377 0.3 . 1 . . . . . 102 GLN CB . 27125 1 467 . 1 . 1 103 103 GLN N N 15 119.590 0.3 . 1 . . . . . 102 GLN N . 27125 1 468 . 1 . 1 104 104 GLN H H 1 8.429 0.020 . 1 . . . . . 103 GLN H . 27125 1 469 . 1 . 1 104 104 GLN C C 13 173.768 0.3 . 1 . . . . . 103 GLN C . 27125 1 470 . 1 . 1 104 104 GLN CA C 13 53.646 0.3 . 1 . . . . . 103 GLN CA . 27125 1 471 . 1 . 1 104 104 GLN CB C 13 28.733 0.3 . 1 . . . . . 103 GLN CB . 27125 1 472 . 1 . 1 104 104 GLN N N 15 122.819 0.3 . 1 . . . . . 103 GLN N . 27125 1 473 . 1 . 1 106 106 ALA H H 1 8.389 0.020 . 1 . . . . . 105 ALA H . 27125 1 474 . 1 . 1 106 106 ALA C C 13 175.639 0.3 . 1 . . . . . 105 ALA C . 27125 1 475 . 1 . 1 106 106 ALA CA C 13 50.205 0.3 . 1 . . . . . 105 ALA CA . 27125 1 476 . 1 . 1 106 106 ALA CB C 13 17.716 0.3 . 1 . . . . . 105 ALA CB . 27125 1 477 . 1 . 1 106 106 ALA N N 15 125.639 0.3 . 1 . . . . . 105 ALA N . 27125 1 478 . 1 . 1 108 108 SER H H 1 8.409 0.020 . 1 . . . . . 107 SER H . 27125 1 479 . 1 . 1 108 108 SER C C 13 174.774 0.3 . 1 . . . . . 107 SER C . 27125 1 480 . 1 . 1 108 108 SER CA C 13 58.128 0.3 . 1 . . . . . 107 SER CA . 27125 1 481 . 1 . 1 108 108 SER CB C 13 63.841 0.3 . 1 . . . . . 107 SER CB . 27125 1 482 . 1 . 1 108 108 SER N N 15 115.845 0.3 . 1 . . . . . 107 SER N . 27125 1 483 . 1 . 1 109 109 SER H H 1 8.410 0.020 . 1 . . . . . 108 SER H . 27125 1 484 . 1 . 1 109 109 SER C C 13 174.904 0.3 . 1 . . . . . 108 SER C . 27125 1 485 . 1 . 1 109 109 SER CA C 13 58.380 0.3 . 1 . . . . . 108 SER CA . 27125 1 486 . 1 . 1 109 109 SER CB C 13 63.697 0.3 . 1 . . . . . 108 SER CB . 27125 1 487 . 1 . 1 109 109 SER N N 15 117.663 0.3 . 1 . . . . . 108 SER N . 27125 1 488 . 1 . 1 110 110 THR H H 1 8.220 0.020 . 1 . . . . . 109 THR H . 27125 1 489 . 1 . 1 110 110 THR C C 13 174.764 0.3 . 1 . . . . . 109 THR C . 27125 1 490 . 1 . 1 110 110 THR CA C 13 61.720 0.3 . 1 . . . . . 109 THR CA . 27125 1 491 . 1 . 1 110 110 THR CB C 13 69.570 0.3 . 1 . . . . . 109 THR CB . 27125 1 492 . 1 . 1 110 110 THR N N 15 115.055 0.3 . 1 . . . . . 109 THR N . 27125 1 493 . 1 . 1 111 111 SER H H 1 8.267 0.020 . 1 . . . . . 110 SER H . 27125 1 494 . 1 . 1 111 111 SER C C 13 174.960 0.3 . 1 . . . . . 110 SER C . 27125 1 495 . 1 . 1 111 111 SER CA C 13 58.630 0.3 . 1 . . . . . 110 SER CA . 27125 1 496 . 1 . 1 111 111 SER CB C 13 63.739 0.3 . 1 . . . . . 110 SER CB . 27125 1 497 . 1 . 1 111 111 SER N N 15 117.841 0.3 . 1 . . . . . 110 SER N . 27125 1 498 . 1 . 1 112 112 GLY H H 1 8.371 0.020 . 1 . . . . . 111 GLY H . 27125 1 499 . 1 . 1 112 112 GLY CA C 13 45.207 0.3 . 1 . . . . . 111 GLY CA . 27125 1 500 . 1 . 1 112 112 GLY N N 15 110.815 0.3 . 1 . . . . . 111 GLY N . 27125 1 501 . 1 . 1 113 113 SER H H 1 8.113 0.020 . 1 . . . . . 112 SER H . 27125 1 502 . 1 . 1 113 113 SER C C 13 174.215 0.3 . 1 . . . . . 112 SER C . 27125 1 503 . 1 . 1 113 113 SER CA C 13 58.035 0.3 . 1 . . . . . 112 SER CA . 27125 1 504 . 1 . 1 113 113 SER CB C 13 63.697 0.3 . 1 . . . . . 112 SER CB . 27125 1 505 . 1 . 1 113 113 SER N N 15 115.501 0.3 . 1 . . . . . 112 SER N . 27125 1 506 . 1 . 1 114 114 TYR H H 1 8.267 0.020 . 1 . . . . . 113 TYR H . 27125 1 507 . 1 . 1 114 114 TYR C C 13 176.347 0.3 . 1 . . . . . 113 TYR C . 27125 1 508 . 1 . 1 114 114 TYR CA C 13 58.110 0.3 . 1 . . . . . 113 TYR CA . 27125 1 509 . 1 . 1 114 114 TYR CB C 13 38.616 0.3 . 1 . . . . . 113 TYR CB . 27125 1 510 . 1 . 1 114 114 TYR N N 15 122.313 0.3 . 1 . . . . . 113 TYR N . 27125 1 511 . 1 . 1 115 115 GLY H H 1 8.318 0.020 . 1 . . . . . 114 GLY H . 27125 1 512 . 1 . 1 115 115 GLY C C 13 174.104 0.3 . 1 . . . . . 114 GLY C . 27125 1 513 . 1 . 1 115 115 GLY CA C 13 45.232 0.3 . 1 . . . . . 114 GLY CA . 27125 1 514 . 1 . 1 115 115 GLY N N 15 110.838 0.3 . 1 . . . . . 114 GLY N . 27125 1 515 . 1 . 1 116 116 SER H H 1 8.173 0.020 . 1 . . . . . 115 SER H . 27125 1 516 . 1 . 1 116 116 SER C C 13 174.802 0.3 . 1 . . . . . 115 SER C . 27125 1 517 . 1 . 1 116 116 SER CA C 13 58.202 0.3 . 1 . . . . . 115 SER CA . 27125 1 518 . 1 . 1 116 116 SER CB C 13 63.797 0.3 . 1 . . . . . 115 SER CB . 27125 1 519 . 1 . 1 116 116 SER N N 15 115.572 0.3 . 1 . . . . . 115 SER N . 27125 1 520 . 1 . 1 117 117 SER H H 1 8.456 0.020 . 1 . . . . . 116 SER H . 27125 1 521 . 1 . 1 117 117 SER C C 13 174.634 0.3 . 1 . . . . . 116 SER C . 27125 1 522 . 1 . 1 117 117 SER CA C 13 58.514 0.3 . 1 . . . . . 116 SER CA . 27125 1 523 . 1 . 1 117 117 SER CB C 13 63.698 0.3 . 1 . . . . . 116 SER CB . 27125 1 524 . 1 . 1 117 117 SER N N 15 117.883 0.3 . 1 . . . . . 116 SER N . 27125 1 525 . 1 . 1 118 118 GLU H H 1 8.444 0.020 . 1 . . . . . 117 GLU H . 27125 1 526 . 1 . 1 118 118 GLU C C 13 176.563 0.3 . 1 . . . . . 117 GLU C . 27125 1 527 . 1 . 1 118 118 GLU CA C 13 56.709 0.3 . 1 . . . . . 117 GLU CA . 27125 1 528 . 1 . 1 118 118 GLU CB C 13 29.818 0.3 . 1 . . . . . 117 GLU CB . 27125 1 529 . 1 . 1 118 118 GLU N N 15 122.470 0.3 . 1 . . . . . 117 GLU N . 27125 1 530 . 1 . 1 119 119 GLN H H 1 8.327 0.020 . 1 . . . . . 118 GLN H . 27125 1 531 . 1 . 1 119 119 GLN C C 13 176.151 0.3 . 1 . . . . . 118 GLN C . 27125 1 532 . 1 . 1 119 119 GLN CA C 13 55.918 0.3 . 1 . . . . . 118 GLN CA . 27125 1 533 . 1 . 1 119 119 GLN CB C 13 29.291 0.3 . 1 . . . . . 118 GLN CB . 27125 1 534 . 1 . 1 119 119 GLN N N 15 120.851 0.3 . 1 . . . . . 118 GLN N . 27125 1 535 . 1 . 1 120 120 SER H H 1 8.320 0.020 . 1 . . . . . 119 SER H . 27125 1 536 . 1 . 1 120 120 SER C C 13 174.783 0.3 . 1 . . . . . 119 SER C . 27125 1 537 . 1 . 1 120 120 SER CA C 13 58.469 0.3 . 1 . . . . . 119 SER CA . 27125 1 538 . 1 . 1 120 120 SER CB C 13 63.667 0.3 . 1 . . . . . 119 SER CB . 27125 1 539 . 1 . 1 120 120 SER N N 15 116.841 0.3 . 1 . . . . . 119 SER N . 27125 1 540 . 1 . 1 121 121 SER H H 1 8.361 0.020 . 1 . . . . . 120 SER H . 27125 1 541 . 1 . 1 121 121 SER C C 13 174.569 0.3 . 1 . . . . . 120 SER C . 27125 1 542 . 1 . 1 121 121 SER CA C 13 58.414 0.3 . 1 . . . . . 120 SER CA . 27125 1 543 . 1 . 1 121 121 SER CB C 13 63.679 0.3 . 1 . . . . . 120 SER CB . 27125 1 544 . 1 . 1 121 121 SER N N 15 117.722 0.3 . 1 . . . . . 120 SER N . 27125 1 545 . 1 . 1 122 122 SER H H 1 8.236 0.020 . 1 . . . . . 121 SER H . 27125 1 546 . 1 . 1 122 122 SER C C 13 174.104 0.3 . 1 . . . . . 121 SER C . 27125 1 547 . 1 . 1 122 122 SER CA C 13 58.303 0.3 . 1 . . . . . 121 SER CA . 27125 1 548 . 1 . 1 122 122 SER CB C 13 63.577 0.3 . 1 . . . . . 121 SER CB . 27125 1 549 . 1 . 1 122 122 SER N N 15 117.315 0.3 . 1 . . . . . 121 SER N . 27125 1 550 . 1 . 1 123 123 TYR H H 1 8.073 0.020 . 1 . . . . . 122 TYR H . 27125 1 551 . 1 . 1 123 123 TYR C C 13 176.272 0.3 . 1 . . . . . 122 TYR C . 27125 1 552 . 1 . 1 123 123 TYR CA C 13 58.196 0.3 . 1 . . . . . 122 TYR CA . 27125 1 553 . 1 . 1 123 123 TYR CB C 13 38.471 0.3 . 1 . . . . . 122 TYR CB . 27125 1 554 . 1 . 1 123 123 TYR N N 15 121.963 0.3 . 1 . . . . . 122 TYR N . 27125 1 555 . 1 . 1 124 124 GLY H H 1 8.228 0.020 . 1 . . . . . 123 GLY H . 27125 1 556 . 1 . 1 124 124 GLY C C 13 173.587 0.3 . 1 . . . . . 123 GLY C . 27125 1 557 . 1 . 1 124 124 GLY CA C 13 44.964 0.3 . 1 . . . . . 123 GLY CA . 27125 1 558 . 1 . 1 124 124 GLY N N 15 110.696 0.3 . 1 . . . . . 123 GLY N . 27125 1 559 . 1 . 1 125 125 GLN H H 1 8.076 0.020 . 1 . . . . . 124 GLN H . 27125 1 560 . 1 . 1 125 125 GLN C C 13 174.066 0.3 . 1 . . . . . 124 GLN C . 27125 1 561 . 1 . 1 125 125 GLN CA C 13 53.502 0.3 . 1 . . . . . 124 GLN CA . 27125 1 562 . 1 . 1 125 125 GLN CB C 13 28.573 0.3 . 1 . . . . . 124 GLN CB . 27125 1 563 . 1 . 1 125 125 GLN N N 15 120.521 0.3 . 1 . . . . . 124 GLN N . 27125 1 564 . 1 . 1 127 127 GLN H H 1 8.567 0.020 . 1 . . . . . 126 GLN H . 27125 1 565 . 1 . 1 127 127 GLN C C 13 176.114 0.3 . 1 . . . . . 126 GLN C . 27125 1 566 . 1 . 1 127 127 GLN CA C 13 55.834 0.3 . 1 . . . . . 126 GLN CA . 27125 1 567 . 1 . 1 127 127 GLN CB C 13 29.135 0.3 . 1 . . . . . 126 GLN CB . 27125 1 568 . 1 . 1 127 127 GLN N N 15 120.825 0.3 . 1 . . . . . 126 GLN N . 27125 1 569 . 1 . 1 128 128 SER H H 1 8.389 0.020 . 1 . . . . . 127 SER H . 27125 1 570 . 1 . 1 128 128 SER C C 13 174.941 0.3 . 1 . . . . . 127 SER C . 27125 1 571 . 1 . 1 128 128 SER CA C 13 58.406 0.3 . 1 . . . . . 127 SER CA . 27125 1 572 . 1 . 1 128 128 SER CB C 13 63.781 0.3 . 1 . . . . . 127 SER CB . 27125 1 573 . 1 . 1 128 128 SER N N 15 117.009 0.3 . 1 . . . . . 127 SER N . 27125 1 574 . 1 . 1 129 129 GLY H H 1 8.432 0.020 . 1 . . . . . 128 GLY H . 27125 1 575 . 1 . 1 129 129 GLY C C 13 173.899 0.3 . 1 . . . . . 128 GLY C . 27125 1 576 . 1 . 1 129 129 GLY CA C 13 45.190 0.3 . 1 . . . . . 128 GLY CA . 27125 1 577 . 1 . 1 129 129 GLY N N 15 110.859 0.3 . 1 . . . . . 128 GLY N . 27125 1 578 . 1 . 1 130 130 SER H H 1 8.113 0.020 . 1 . . . . . 129 SER H . 27125 1 579 . 1 . 1 130 130 SER C C 13 174.206 0.3 . 1 . . . . . 129 SER C . 27125 1 580 . 1 . 1 130 130 SER CA C 13 58.068 0.3 . 1 . . . . . 129 SER CA . 27125 1 581 . 1 . 1 130 130 SER CB C 13 63.766 0.3 . 1 . . . . . 129 SER CB . 27125 1 582 . 1 . 1 130 130 SER N N 15 115.338 0.3 . 1 . . . . . 129 SER N . 27125 1 583 . 1 . 1 131 131 TYR H H 1 8.208 0.020 . 1 . . . . . 130 TYR H . 27125 1 584 . 1 . 1 131 131 TYR C C 13 175.641 0.3 . 1 . . . . . 130 TYR C . 27125 1 585 . 1 . 1 131 131 TYR CA C 13 57.966 0.3 . 1 . . . . . 130 TYR CA . 27125 1 586 . 1 . 1 131 131 TYR CB C 13 38.538 0.3 . 1 . . . . . 130 TYR CB . 27125 1 587 . 1 . 1 131 131 TYR N N 15 122.136 0.3 . 1 . . . . . 130 TYR N . 27125 1 588 . 1 . 1 132 132 GLU H H 1 8.286 0.020 . 1 . . . . . 131 GLU H . 27125 1 589 . 1 . 1 132 132 GLU C C 13 175.946 0.3 . 1 . . . . . 131 GLU C . 27125 1 590 . 1 . 1 132 132 GLU CA C 13 56.464 0.3 . 1 . . . . . 131 GLU CA . 27125 1 591 . 1 . 1 132 132 GLU CB C 13 30.034 0.3 . 1 . . . . . 131 GLU CB . 27125 1 592 . 1 . 1 132 132 GLU N N 15 122.145 0.3 . 1 . . . . . 131 GLU N . 27125 1 593 . 1 . 1 133 133 GLN H H 1 8.261 0.020 . 1 . . . . . 132 GLN H . 27125 1 594 . 1 . 1 133 133 GLN C C 13 175.648 0.3 . 1 . . . . . 132 GLN C . 27125 1 595 . 1 . 1 133 133 GLN CA C 13 55.687 0.3 . 1 . . . . . 132 GLN CA . 27125 1 596 . 1 . 1 133 133 GLN CB C 13 29.254 0.3 . 1 . . . . . 132 GLN CB . 27125 1 597 . 1 . 1 133 133 GLN N N 15 121.132 0.3 . 1 . . . . . 132 GLN N . 27125 1 598 . 1 . 1 134 134 GLN H H 1 8.362 0.020 . 1 . . . . . 133 GLN H . 27125 1 599 . 1 . 1 134 134 GLN C C 13 173.964 0.3 . 1 . . . . . 133 GLN C . 27125 1 600 . 1 . 1 134 134 GLN CA C 13 53.683 0.3 . 1 . . . . . 133 GLN CA . 27125 1 601 . 1 . 1 134 134 GLN CB C 13 28.821 0.3 . 1 . . . . . 133 GLN CB . 27125 1 602 . 1 . 1 134 134 GLN N N 15 122.547 0.3 . 1 . . . . . 133 GLN N . 27125 1 603 . 1 . 1 136 136 SER H H 1 8.305 0.020 . 1 . . . . . 135 SER H . 27125 1 604 . 1 . 1 136 136 SER C C 13 174.299 0.3 . 1 . . . . . 135 SER C . 27125 1 605 . 1 . 1 136 136 SER CA C 13 57.980 0.3 . 1 . . . . . 135 SER CA . 27125 1 606 . 1 . 1 136 136 SER CB C 13 63.801 0.3 . 1 . . . . . 135 SER CB . 27125 1 607 . 1 . 1 136 136 SER N N 15 115.507 0.3 . 1 . . . . . 135 SER N . 27125 1 608 . 1 . 1 137 137 TYR H H 1 8.195 0.020 . 1 . . . . . 136 TYR H . 27125 1 609 . 1 . 1 137 137 TYR C C 13 176.387 0.3 . 1 . . . . . 136 TYR C . 27125 1 610 . 1 . 1 137 137 TYR CA C 13 58.035 0.3 . 1 . . . . . 136 TYR CA . 27125 1 611 . 1 . 1 137 137 TYR CB C 13 38.574 0.3 . 1 . . . . . 136 TYR CB . 27125 1 612 . 1 . 1 137 137 TYR N N 15 122.148 0.3 . 1 . . . . . 136 TYR N . 27125 1 613 . 1 . 1 138 138 GLY H H 1 8.348 0.020 . 1 . . . . . 137 GLY H . 27125 1 614 . 1 . 1 138 138 GLY N N 15 110.835 0.3 . 1 . . . . . 137 GLY N . 27125 1 615 . 1 . 1 139 139 GLY H H 1 7.941 0.020 . 1 . . . . . 138 GLY H . 27125 1 616 . 1 . 1 139 139 GLY C C 13 174.159 0.3 . 1 . . . . . 138 GLY C . 27125 1 617 . 1 . 1 139 139 GLY CA C 13 45.245 0.3 . 1 . . . . . 138 GLY CA . 27125 1 618 . 1 . 1 139 139 GLY N N 15 108.252 0.3 . 1 . . . . . 138 GLY N . 27125 1 619 . 1 . 1 140 140 GLN H H 1 8.271 0.020 . 1 . . . . . 139 GLN H . 27125 1 620 . 1 . 1 140 140 GLN C C 13 176.114 0.3 . 1 . . . . . 139 GLN C . 27125 1 621 . 1 . 1 140 140 GLN CA C 13 55.914 0.3 . 1 . . . . . 139 GLN CA . 27125 1 622 . 1 . 1 140 140 GLN CB C 13 29.135 0.3 . 1 . . . . . 139 GLN CB . 27125 1 623 . 1 . 1 140 140 GLN N N 15 119.676 0.3 . 1 . . . . . 139 GLN N . 27125 1 624 . 1 . 1 141 141 GLN H H 1 8.475 0.020 . 1 . . . . . 140 GLN H . 27125 1 625 . 1 . 1 141 141 GLN C C 13 175.946 0.3 . 1 . . . . . 140 GLN C . 27125 1 626 . 1 . 1 141 141 GLN CA C 13 55.958 0.3 . 1 . . . . . 140 GLN CA . 27125 1 627 . 1 . 1 141 141 GLN CB C 13 29.036 0.3 . 1 . . . . . 140 GLN CB . 27125 1 628 . 1 . 1 141 141 GLN N N 15 121.534 0.3 . 1 . . . . . 140 GLN N . 27125 1 629 . 1 . 1 142 142 GLN H H 1 8.416 0.020 . 1 . . . . . 141 GLN H . 27125 1 630 . 1 . 1 142 142 GLN C C 13 175.751 0.3 . 1 . . . . . 141 GLN C . 27125 1 631 . 1 . 1 142 142 GLN CA C 13 55.850 0.3 . 1 . . . . . 141 GLN CA . 27125 1 632 . 1 . 1 142 142 GLN CB C 13 29.142 0.3 . 1 . . . . . 141 GLN CB . 27125 1 633 . 1 . 1 142 142 GLN N N 15 121.509 0.3 . 1 . . . . . 141 GLN N . 27125 1 634 . 1 . 1 143 143 SER H H 1 8.268 0.020 . 1 . . . . . 142 SER H . 27125 1 635 . 1 . 1 143 143 SER C C 13 174.152 0.3 . 1 . . . . . 142 SER C . 27125 1 636 . 1 . 1 143 143 SER CA C 13 57.972 0.3 . 1 . . . . . 142 SER CA . 27125 1 637 . 1 . 1 143 143 SER CB C 13 63.802 0.3 . 1 . . . . . 142 SER CB . 27125 1 638 . 1 . 1 143 143 SER N N 15 116.645 0.3 . 1 . . . . . 142 SER N . 27125 1 639 . 1 . 1 144 144 TYR H H 1 8.232 0.020 . 1 . . . . . 143 TYR H . 27125 1 640 . 1 . 1 144 144 TYR C C 13 176.374 0.3 . 1 . . . . . 143 TYR C . 27125 1 641 . 1 . 1 144 144 TYR CA C 13 58.014 0.3 . 1 . . . . . 143 TYR CA . 27125 1 642 . 1 . 1 144 144 TYR CB C 13 38.551 0.3 . 1 . . . . . 143 TYR CB . 27125 1 643 . 1 . 1 144 144 TYR N N 15 122.149 0.3 . 1 . . . . . 143 TYR N . 27125 1 644 . 1 . 1 145 145 GLY H H 1 8.321 0.020 . 1 . . . . . 144 GLY H . 27125 1 645 . 1 . 1 145 145 GLY C C 13 174.110 0.3 . 1 . . . . . 144 GLY C . 27125 1 646 . 1 . 1 145 145 GLY CA C 13 45.251 0.3 . 1 . . . . . 144 GLY CA . 27125 1 647 . 1 . 1 145 145 GLY N N 15 110.276 0.3 . 1 . . . . . 144 GLY N . 27125 1 648 . 1 . 1 146 146 GLN H H 1 8.177 0.020 . 1 . . . . . 145 GLN H . 27125 1 649 . 1 . 1 146 146 GLN C C 13 176.086 0.3 . 1 . . . . . 145 GLN C . 27125 1 650 . 1 . 1 146 146 GLN CA C 13 55.822 0.3 . 1 . . . . . 145 GLN CA . 27125 1 651 . 1 . 1 146 146 GLN CB C 13 29.296 0.3 . 1 . . . . . 145 GLN CB . 27125 1 652 . 1 . 1 146 146 GLN N N 15 119.763 0.3 . 1 . . . . . 145 GLN N . 27125 1 653 . 1 . 1 148 148 GLN H H 1 8.430 0.020 . 1 . . . . . 147 GLN H . 27125 1 654 . 1 . 1 148 148 GLN C C 13 175.760 0.3 . 1 . . . . . 147 GLN C . 27125 1 655 . 1 . 1 148 148 GLN CA C 13 55.809 0.3 . 1 . . . . . 147 GLN CA . 27125 1 656 . 1 . 1 148 148 GLN CB C 13 29.253 0.3 . 1 . . . . . 147 GLN CB . 27125 1 657 . 1 . 1 148 148 GLN N N 15 121.483 0.3 . 1 . . . . . 147 GLN N . 27125 1 658 . 1 . 1 149 149 SER H H 1 8.290 0.020 . 1 . . . . . 148 SER H . 27125 1 659 . 1 . 1 149 149 SER C C 13 173.963 0.3 . 1 . . . . . 148 SER C . 27125 1 660 . 1 . 1 149 149 SER CA C 13 58.056 0.3 . 1 . . . . . 148 SER CA . 27125 1 661 . 1 . 1 149 149 SER CB C 13 63.718 0.3 . 1 . . . . . 148 SER CB . 27125 1 662 . 1 . 1 149 149 SER N N 15 116.839 0.3 . 1 . . . . . 148 SER N . 27125 1 663 . 1 . 1 150 150 TYR H H 1 8.204 0.020 . 1 . . . . . 149 TYR H . 27125 1 664 . 1 . 1 150 150 TYR C C 13 174.653 0.3 . 1 . . . . . 149 TYR C . 27125 1 665 . 1 . 1 150 150 TYR CA C 13 57.733 0.3 . 1 . . . . . 149 TYR CA . 27125 1 666 . 1 . 1 150 150 TYR CB C 13 38.914 0.3 . 1 . . . . . 149 TYR CB . 27125 1 667 . 1 . 1 150 150 TYR N N 15 122.414 0.3 . 1 . . . . . 149 TYR N . 27125 1 668 . 1 . 1 151 151 ASN H H 1 8.216 0.020 . 1 . . . . . 150 ASN H . 27125 1 669 . 1 . 1 151 151 ASN C C 13 178.161 0.3 . 1 . . . . . 150 ASN C . 27125 1 670 . 1 . 1 151 151 ASN CA C 13 50.607 0.3 . 1 . . . . . 150 ASN CA . 27125 1 671 . 1 . 1 151 151 ASN CB C 13 38.812 0.3 . 1 . . . . . 150 ASN CB . 27125 1 672 . 1 . 1 151 151 ASN N N 15 123.234 0.3 . 1 . . . . . 150 ASN N . 27125 1 673 . 1 . 1 154 154 GLN H H 1 8.459 0.020 . 1 . . . . . 153 GLN H . 27125 1 674 . 1 . 1 154 154 GLN C C 13 176.449 0.3 . 1 . . . . . 153 GLN C . 27125 1 675 . 1 . 1 154 154 GLN CA C 13 55.914 0.3 . 1 . . . . . 153 GLN CA . 27125 1 676 . 1 . 1 154 154 GLN CB C 13 29.216 0.3 . 1 . . . . . 153 GLN CB . 27125 1 677 . 1 . 1 154 154 GLN N N 15 120.070 0.3 . 1 . . . . . 153 GLN N . 27125 1 678 . 1 . 1 155 155 GLY H H 1 8.357 0.020 . 1 . . . . . 154 GLY H . 27125 1 679 . 1 . 1 155 155 GLY C C 13 173.750 0.3 . 1 . . . . . 154 GLY C . 27125 1 680 . 1 . 1 155 155 GLY CA C 13 44.902 0.3 . 1 . . . . . 154 GLY CA . 27125 1 681 . 1 . 1 155 155 GLY N N 15 110.031 0.3 . 1 . . . . . 154 GLY N . 27125 1 682 . 1 . 1 156 156 TYR H H 1 8.114 0.020 . 1 . . . . . 155 TYR H . 27125 1 683 . 1 . 1 156 156 TYR C C 13 176.505 0.3 . 1 . . . . . 155 TYR C . 27125 1 684 . 1 . 1 156 156 TYR CA C 13 58.085 0.3 . 1 . . . . . 155 TYR CA . 27125 1 685 . 1 . 1 156 156 TYR CB C 13 38.705 0.3 . 1 . . . . . 155 TYR CB . 27125 1 686 . 1 . 1 156 156 TYR N N 15 120.056 0.3 . 1 . . . . . 155 TYR N . 27125 1 687 . 1 . 1 157 157 GLY H H 1 8.396 0.020 . 1 . . . . . 156 GLY H . 27125 1 688 . 1 . 1 157 157 GLY C C 13 174.086 0.3 . 1 . . . . . 156 GLY C . 27125 1 689 . 1 . 1 157 157 GLY CA C 13 45.206 0.3 . 1 . . . . . 156 GLY CA . 27125 1 690 . 1 . 1 157 157 GLY N N 15 110.928 0.3 . 1 . . . . . 156 GLY N . 27125 1 691 . 1 . 1 158 158 GLN H H 1 8.171 0.020 . 1 . . . . . 157 GLN H . 27125 1 692 . 1 . 1 158 158 GLN C C 13 176.040 0.3 . 1 . . . . . 157 GLN C . 27125 1 693 . 1 . 1 158 158 GLN CA C 13 55.785 0.3 . 1 . . . . . 157 GLN CA . 27125 1 694 . 1 . 1 158 158 GLN CB C 13 29.266 0.3 . 1 . . . . . 157 GLN CB . 27125 1 695 . 1 . 1 158 158 GLN N N 15 119.674 0.3 . 1 . . . . . 157 GLN N . 27125 1 696 . 1 . 1 159 159 GLN H H 1 8.477 0.020 . 1 . . . . . 158 GLN H . 27125 1 697 . 1 . 1 159 159 GLN C C 13 175.679 0.3 . 1 . . . . . 158 GLN C . 27125 1 698 . 1 . 1 159 159 GLN CA C 13 55.851 0.3 . 1 . . . . . 158 GLN CA . 27125 1 699 . 1 . 1 159 159 GLN CB C 13 29.214 0.3 . 1 . . . . . 158 GLN CB . 27125 1 700 . 1 . 1 159 159 GLN N N 15 121.094 0.3 . 1 . . . . . 158 GLN N . 27125 1 701 . 1 . 1 160 160 ASN H H 1 8.450 0.020 . 1 . . . . . 159 ASN H . 27125 1 702 . 1 . 1 160 160 ASN C C 13 174.941 0.3 . 1 . . . . . 159 ASN C . 27125 1 703 . 1 . 1 160 160 ASN CA C 13 53.180 0.3 . 1 . . . . . 159 ASN CA . 27125 1 704 . 1 . 1 160 160 ASN CB C 13 38.705 0.3 . 1 . . . . . 159 ASN CB . 27125 1 705 . 1 . 1 160 160 ASN N N 15 119.573 0.3 . 1 . . . . . 159 ASN N . 27125 1 706 . 1 . 1 161 161 GLN H H 1 8.296 0.020 . 1 . . . . . 160 GLN H . 27125 1 707 . 1 . 1 161 161 GLN C C 13 175.425 0.3 . 1 . . . . . 160 GLN C . 27125 1 708 . 1 . 1 161 161 GLN CA C 13 55.914 0.3 . 1 . . . . . 160 GLN CA . 27125 1 709 . 1 . 1 161 161 GLN CB C 13 29.135 0.3 . 1 . . . . . 160 GLN CB . 27125 1 710 . 1 . 1 161 161 GLN N N 15 120.198 0.3 . 1 . . . . . 160 GLN N . 27125 1 711 . 1 . 1 162 162 TYR H H 1 8.205 0.020 . 1 . . . . . 161 TYR H . 27125 1 712 . 1 . 1 162 162 TYR C C 13 175.423 0.3 . 1 . . . . . 161 TYR C . 27125 1 713 . 1 . 1 162 162 TYR CA C 13 57.603 0.3 . 1 . . . . . 161 TYR CA . 27125 1 714 . 1 . 1 162 162 TYR CB C 13 38.464 0.3 . 1 . . . . . 161 TYR CB . 27125 1 715 . 1 . 1 162 162 TYR N N 15 120.560 0.3 . 1 . . . . . 161 TYR N . 27125 1 716 . 1 . 1 163 163 ASN H H 1 8.287 0.020 . 1 . . . . . 162 ASN H . 27125 1 717 . 1 . 1 163 163 ASN C C 13 174.048 0.3 . 1 . . . . . 162 ASN C . 27125 1 718 . 1 . 1 163 163 ASN CA C 13 53.100 0.3 . 1 . . . . . 162 ASN CA . 27125 1 719 . 1 . 1 163 163 ASN CB C 13 38.946 0.3 . 1 . . . . . 162 ASN CB . 27125 1 720 . 1 . 1 163 163 ASN N N 15 120.558 0.3 . 1 . . . . . 162 ASN N . 27125 1 721 . 1 . 1 164 164 SER H H 1 7.841 0.020 . 1 . . . . . 163 SER H . 27125 1 722 . 1 . 1 164 164 SER C C 13 178.496 0.3 . 1 . . . . . 163 SER C . 27125 1 723 . 1 . 1 164 164 SER CA C 13 59.861 0.3 . 1 . . . . . 163 SER CA . 27125 1 724 . 1 . 1 164 164 SER CB C 13 64.712 0.3 . 1 . . . . . 163 SER CB . 27125 1 725 . 1 . 1 164 164 SER N N 15 121.377 0.3 . 1 . . . . . 163 SER N . 27125 1 stop_ save_