data_25184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25184 _Entry.Title ; Backbone chemical shift assignment of FG-NUP (49-172) under in cell condition. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-29 _Entry.Accession_date 2014-08-29 _Entry.Last_release_date 2015-10-08 _Entry.Original_release_date 2015-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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.Entry_ID 1 Kaushik Dutta . . . 25184 2 David Cowburn . . . 25184 3 Michael Rout . . . 25184 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Biology Center' . 25184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 25184 '15N chemical shifts' 78 25184 '1H chemical shifts' 78 25184 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 . . 2015-10-08 . original BMRB . 25184 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25182 FSFG-K 25184 BMRB 25183 FSFG-K-6His 25184 BMRB 25185 FG-N-6His 25184 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25184 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Atomic Scale Dynamic Behavior of the Nuclear Transport Selectivity Barrier ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Loren Hough . . . 25184 1 2 Kaushik Dutta . . . 25184 1 3 Sam Sparks . . . 25184 1 4 Deniz Temel . B. . 25184 1 5 Alia Kamal . . . 25184 1 6 Jaclyn Tetenbaum-Novatt . . . 25184 1 7 Michael Rout . . . 25184 1 8 David Cowburn . . . 25184 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In cell NMR' 25184 1 'Nuclear Pore Complexes' 25184 1 'Transport factor' 25184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25184 _Assembly.ID 1 _Assembly.Name FG-N _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 entity 1 $entity A . yes native no no . . . 25184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25184 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FG-N _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 ; MGTSAPNNTNNANSSITPAF GSNNTGNTAFGNSNPTSNVF GSNNSTTNTFGSNSAGTSLF GSSSAQQTKSNGTAGGNTFG SSSLFNNSTNSNTTKPAFGG LNFGGGNNTTPSSTGNANTS NNLFGATA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'first residue is from the tag (M); Sequence start from A49 to A172' _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 128 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25185 . FG-N-6His . . . . . 100.00 137 100.00 100.00 1.46e-69 . . . . 25184 1 2 no DBJ GAA24320 . "K7_Nsp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.66 804 100.00 100.00 2.07e-64 . . . . 25184 1 3 no EMBL CAA89332 . "NSP1 [Saccharomyces cerevisiae]" . . . . . 97.66 823 100.00 100.00 3.40e-64 . . . . 25184 1 4 no EMBL CAY80739 . "Nsp1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.66 709 99.20 99.20 1.33e-63 . . . . 25184 1 5 no GB AAA34821 . "nucleoskeletal-like protein [Saccharomyces cerevisiae]" . . . . . 97.66 823 100.00 100.00 3.54e-64 . . . . 25184 1 6 no GB AHY78965 . "Nsp1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.66 823 100.00 100.00 2.21e-64 . . . . 25184 1 7 no GB AJP39666 . "Nsp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.66 823 100.00 100.00 2.21e-64 . . . . 25184 1 8 no GB AJR53935 . "Nsp1p [Saccharomyces cerevisiae YJM681]" . . . . . 97.66 804 100.00 100.00 3.46e-64 . . . . 25184 1 9 no GB AJR54261 . "Nsp1p [Saccharomyces cerevisiae YJM682]" . . . . . 97.66 804 100.00 100.00 4.22e-64 . . . . 25184 1 10 no REF NP_012494 . "FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" . . . . . 97.66 823 100.00 100.00 3.40e-64 . . . . 25184 1 11 no SP P14907 . "RecName: Full=Nucleoporin NSP1; AltName: Full=Nuclear pore protein NSP1; AltName: Full=Nucleoskeletal-like protein; AltName: Fu" . . . . . 97.66 823 100.00 100.00 3.40e-64 . . . . 25184 1 12 no TPG DAA08759 . "TPA: FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" . . . . . 97.66 823 100.00 100.00 3.40e-64 . . . . 25184 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transport Factor' 25184 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25184 1 2 . GLY . 25184 1 3 . THR . 25184 1 4 . SER . 25184 1 5 49 ALA . 25184 1 6 50 PRO . 25184 1 7 51 ASN . 25184 1 8 52 ASN . 25184 1 9 53 THR . 25184 1 10 54 ASN . 25184 1 11 55 ASN . 25184 1 12 56 ALA . 25184 1 13 57 ASN . 25184 1 14 58 SER . 25184 1 15 59 SER . 25184 1 16 60 ILE . 25184 1 17 61 THR . 25184 1 18 62 PRO . 25184 1 19 63 ALA . 25184 1 20 64 PHE . 25184 1 21 65 GLY . 25184 1 22 66 SER . 25184 1 23 67 ASN . 25184 1 24 68 ASN . 25184 1 25 69 THR . 25184 1 26 70 GLY . 25184 1 27 71 ASN . 25184 1 28 72 THR . 25184 1 29 73 ALA . 25184 1 30 74 PHE . 25184 1 31 75 GLY . 25184 1 32 76 ASN . 25184 1 33 77 SER . 25184 1 34 78 ASN . 25184 1 35 79 PRO . 25184 1 36 80 THR . 25184 1 37 81 SER . 25184 1 38 82 ASN . 25184 1 39 83 VAL . 25184 1 40 84 PHE . 25184 1 41 85 GLY . 25184 1 42 86 SER . 25184 1 43 87 ASN . 25184 1 44 88 ASN . 25184 1 45 89 SER . 25184 1 46 90 THR . 25184 1 47 91 THR . 25184 1 48 92 ASN . 25184 1 49 93 THR . 25184 1 50 94 PHE . 25184 1 51 95 GLY . 25184 1 52 96 SER . 25184 1 53 97 ASN . 25184 1 54 98 SER . 25184 1 55 99 ALA . 25184 1 56 100 GLY . 25184 1 57 101 THR . 25184 1 58 102 SER . 25184 1 59 103 LEU . 25184 1 60 104 PHE . 25184 1 61 105 GLY . 25184 1 62 106 SER . 25184 1 63 107 SER . 25184 1 64 108 SER . 25184 1 65 109 ALA . 25184 1 66 110 GLN . 25184 1 67 111 GLN . 25184 1 68 112 THR . 25184 1 69 113 LYS . 25184 1 70 114 SER . 25184 1 71 115 ASN . 25184 1 72 116 GLY . 25184 1 73 117 THR . 25184 1 74 118 ALA . 25184 1 75 119 GLY . 25184 1 76 120 GLY . 25184 1 77 121 ASN . 25184 1 78 122 THR . 25184 1 79 123 PHE . 25184 1 80 124 GLY . 25184 1 81 125 SER . 25184 1 82 126 SER . 25184 1 83 127 SER . 25184 1 84 128 LEU . 25184 1 85 129 PHE . 25184 1 86 130 ASN . 25184 1 87 131 ASN . 25184 1 88 132 SER . 25184 1 89 133 THR . 25184 1 90 134 ASN . 25184 1 91 135 SER . 25184 1 92 136 ASN . 25184 1 93 137 THR . 25184 1 94 138 THR . 25184 1 95 139 LYS . 25184 1 96 140 PRO . 25184 1 97 141 ALA . 25184 1 98 142 PHE . 25184 1 99 143 GLY . 25184 1 100 144 GLY . 25184 1 101 145 LEU . 25184 1 102 146 ASN . 25184 1 103 147 PHE . 25184 1 104 148 GLY . 25184 1 105 149 GLY . 25184 1 106 150 GLY . 25184 1 107 151 ASN . 25184 1 108 152 ASN . 25184 1 109 153 THR . 25184 1 110 154 THR . 25184 1 111 155 PRO . 25184 1 112 156 SER . 25184 1 113 157 SER . 25184 1 114 158 THR . 25184 1 115 159 GLY . 25184 1 116 160 ASN . 25184 1 117 161 ALA . 25184 1 118 162 ASN . 25184 1 119 163 THR . 25184 1 120 164 SER . 25184 1 121 165 ASN . 25184 1 122 166 ASN . 25184 1 123 167 LEU . 25184 1 124 168 PHE . 25184 1 125 169 GLY . 25184 1 126 170 ALA . 25184 1 127 171 THR . 25184 1 128 172 ALA . 25184 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 25184 1 . GLY 2 2 25184 1 . THR 3 3 25184 1 . SER 4 4 25184 1 . ALA 5 5 25184 1 . PRO 6 6 25184 1 . ASN 7 7 25184 1 . ASN 8 8 25184 1 . THR 9 9 25184 1 . ASN 10 10 25184 1 . ASN 11 11 25184 1 . ALA 12 12 25184 1 . ASN 13 13 25184 1 . SER 14 14 25184 1 . SER 15 15 25184 1 . ILE 16 16 25184 1 . THR 17 17 25184 1 . PRO 18 18 25184 1 . ALA 19 19 25184 1 . PHE 20 20 25184 1 . GLY 21 21 25184 1 . SER 22 22 25184 1 . ASN 23 23 25184 1 . ASN 24 24 25184 1 . THR 25 25 25184 1 . GLY 26 26 25184 1 . ASN 27 27 25184 1 . THR 28 28 25184 1 . ALA 29 29 25184 1 . PHE 30 30 25184 1 . GLY 31 31 25184 1 . ASN 32 32 25184 1 . SER 33 33 25184 1 . ASN 34 34 25184 1 . PRO 35 35 25184 1 . THR 36 36 25184 1 . SER 37 37 25184 1 . ASN 38 38 25184 1 . VAL 39 39 25184 1 . PHE 40 40 25184 1 . GLY 41 41 25184 1 . SER 42 42 25184 1 . ASN 43 43 25184 1 . ASN 44 44 25184 1 . SER 45 45 25184 1 . THR 46 46 25184 1 . THR 47 47 25184 1 . ASN 48 48 25184 1 . THR 49 49 25184 1 . PHE 50 50 25184 1 . GLY 51 51 25184 1 . SER 52 52 25184 1 . ASN 53 53 25184 1 . SER 54 54 25184 1 . ALA 55 55 25184 1 . GLY 56 56 25184 1 . THR 57 57 25184 1 . SER 58 58 25184 1 . LEU 59 59 25184 1 . PHE 60 60 25184 1 . GLY 61 61 25184 1 . SER 62 62 25184 1 . SER 63 63 25184 1 . SER 64 64 25184 1 . ALA 65 65 25184 1 . GLN 66 66 25184 1 . GLN 67 67 25184 1 . THR 68 68 25184 1 . LYS 69 69 25184 1 . SER 70 70 25184 1 . ASN 71 71 25184 1 . GLY 72 72 25184 1 . THR 73 73 25184 1 . ALA 74 74 25184 1 . GLY 75 75 25184 1 . GLY 76 76 25184 1 . ASN 77 77 25184 1 . THR 78 78 25184 1 . PHE 79 79 25184 1 . GLY 80 80 25184 1 . SER 81 81 25184 1 . SER 82 82 25184 1 . SER 83 83 25184 1 . LEU 84 84 25184 1 . PHE 85 85 25184 1 . ASN 86 86 25184 1 . ASN 87 87 25184 1 . SER 88 88 25184 1 . THR 89 89 25184 1 . ASN 90 90 25184 1 . SER 91 91 25184 1 . ASN 92 92 25184 1 . THR 93 93 25184 1 . THR 94 94 25184 1 . LYS 95 95 25184 1 . PRO 96 96 25184 1 . ALA 97 97 25184 1 . PHE 98 98 25184 1 . GLY 99 99 25184 1 . GLY 100 100 25184 1 . LEU 101 101 25184 1 . ASN 102 102 25184 1 . PHE 103 103 25184 1 . GLY 104 104 25184 1 . GLY 105 105 25184 1 . GLY 106 106 25184 1 . ASN 107 107 25184 1 . ASN 108 108 25184 1 . THR 109 109 25184 1 . THR 110 110 25184 1 . PRO 111 111 25184 1 . SER 112 112 25184 1 . SER 113 113 25184 1 . THR 114 114 25184 1 . GLY 115 115 25184 1 . ASN 116 116 25184 1 . ALA 117 117 25184 1 . ASN 118 118 25184 1 . THR 119 119 25184 1 . SER 120 120 25184 1 . ASN 121 121 25184 1 . ASN 122 122 25184 1 . LEU 123 123 25184 1 . PHE 124 124 25184 1 . GLY 125 125 25184 1 . ALA 126 126 25184 1 . THR 127 127 25184 1 . ALA 128 128 25184 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 25184 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25184 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 25184 _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 'BL21(DE3) Gold Cells' . . . . . pRSF . . . 25184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25184 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR assignment of FG-N done in the cell.' _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 FG-N '[U-100% 15N]' . . 1 $entity . . . 300 400 uM . . . . 25184 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25184 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25184 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25184 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR assignment of FG-N done in the cell.' _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 FG-N '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 300 500 uM . . . . 25184 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25184 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25184 2 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 25184 _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' 150 . mM 25184 1 pH 7.3 . pH 25184 1 pressure 1 . atm 25184 1 temperature 298 . K 25184 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25184 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25184 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25184 1 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 25184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25184 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25184 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25184 _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 . 700 . . . 25184 1 2 spectrometer_2 Bruker Avance . 800 . . . 25184 1 3 spectrometer_3 Bruker Avance . 900 . . . 25184 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 25184 _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 . . . . . . . . . . . . . . . . 25184 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25184 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 25184 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . internal indirect 0.251449530 . . . . . . . . . 25184 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . . . . . 25184 1 N 15 water protons . . . . ppm . internal indirect 0.101329118 . . . . . . . . . 25184 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 25184 _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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' . . . 25184 1 2 '3D HNCO' . . . 25184 1 3 '3D CBCA(CO)NH' . . . 25184 1 4 '3D HNCA' . . . 25184 1 5 '3D HNCACB' . . . 25184 1 7 '3D HN(CA)CO' . . . 25184 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 25184 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 174.3820 0.16 . 1 . . . . 1 MET C . 25184 1 2 . 1 1 1 1 MET CA C 13 58.3468 0.16 . 1 . . . . 1 MET CA . 25184 1 3 . 1 1 1 1 MET CB C 13 28.2820 0.16 . 1 . . . . 1 MET CB . 25184 1 4 . 1 1 2 2 GLY H H 1 8.2017 0.001 . 1 . . . . 2 GLY H . 25184 1 5 . 1 1 2 2 GLY C C 13 178.9584 0.16 . 1 . . . . 2 GLY C . 25184 1 6 . 1 1 2 2 GLY CA C 13 46.2261 0.16 . 1 . . . . 2 GLY CA . 25184 1 7 . 1 1 2 2 GLY N N 15 117.5476 0.03 . 1 . . . . 2 GLY N . 25184 1 8 . 1 1 3 3 THR C C 13 174.3422 0.16 . 1 . 11121 . . 3 THR C . 25184 1 9 . 1 1 3 3 THR CA C 13 61.8861 0.16 . 1 . 10671 . . 3 THR CA . 25184 1 10 . 1 1 3 3 THR CB C 13 69.6990 0.16 . 1 . 10635 . . 3 THR CB . 25184 1 11 . 1 1 4 4 SER H H 1 8.2636 0.001 . 1 . 9050 . . 4 SER H . 25184 1 12 . 1 1 4 4 SER C C 13 173.5238 0.16 . 1 . 11136 . . 4 SER C . 25184 1 13 . 1 1 4 4 SER CA C 13 58.0407 0.16 . 1 . 9147 . . 4 SER CA . 25184 1 14 . 1 1 4 4 SER CB C 13 63.8938 0.16 . 1 . 9048 . . 4 SER CB . 25184 1 15 . 1 1 4 4 SER N N 15 118.4418 0.03 . 1 . 9052 . . 4 SER N . 25184 1 16 . 1 1 5 5 ALA H H 1 8.2750 0.001 . 1 . 9239 . . 5 ALA H . 25184 1 17 . 1 1 5 5 ALA C C 13 175.5001 0.16 . 1 . 9651 . . 5 ALA C . 25184 1 18 . 1 1 5 5 ALA CA C 13 50.7287 0.16 . 1 . 8850 . . 5 ALA CA . 25184 1 19 . 1 1 5 5 ALA CB C 13 18.2271 0.16 . 1 . 9018 . . 5 ALA CB . 25184 1 20 . 1 1 5 5 ALA N N 15 127.1624 0.03 . 1 . 9241 . . 5 ALA N . 25184 1 21 . 1 1 6 6 PRO C C 13 176.6466 0.16 . 1 . 10980 . . 6 PRO C . 25184 1 22 . 1 1 6 6 PRO CA C 13 63.2124 0.16 . 1 . 10392 . . 6 PRO CA . 25184 1 23 . 1 1 6 6 PRO CB C 13 31.9275 0.16 . 1 . 10404 . . 6 PRO CB . 25184 1 24 . 1 1 7 7 ASN H H 1 8.4586 0.001 . 1 . 9563 . . 7 ASN H . 25184 1 25 . 1 1 7 7 ASN C C 13 174.9394 0.16 . 1 . 9579 . . 7 ASN C . 25184 1 26 . 1 1 7 7 ASN CA C 13 53.2407 0.16 . 1 . 8799 . . 7 ASN CA . 25184 1 27 . 1 1 7 7 ASN CB C 13 38.6430 0.16 . 1 . 8640 . . 7 ASN CB . 25184 1 28 . 1 1 7 7 ASN N N 15 118.4809 0.03 . 1 . 9565 . . 7 ASN N . 25184 1 29 . 1 1 8 8 ASN H H 1 8.3262 0.001 . 1 . 11572 . . 8 ASN H . 25184 1 30 . 1 1 8 8 ASN C C 13 175.4775 0.16 . 1 . 11594 . . 8 ASN C . 25184 1 31 . 1 1 8 8 ASN CA C 13 53.3677 0.16 . 1 . 12895 . . 8 ASN CA . 25184 1 32 . 1 1 8 8 ASN CB C 13 38.7700 0.16 . 1 . 12898 . . 8 ASN CB . 25184 1 33 . 1 1 8 8 ASN N N 15 119.3294 0.03 . 1 . 11574 . . 8 ASN N . 25184 1 34 . 1 1 9 9 THR H H 1 8.1208 0.001 . 1 . 12882 . . 9 THR H . 25184 1 35 . 1 1 9 9 THR C C 13 174.4217 0.16 . 1 . 9747 . . 9 THR C . 25184 1 36 . 1 1 9 9 THR CA C 13 62.0782 0.16 . 1 . 10473 . . 9 THR CA . 25184 1 37 . 1 1 9 9 THR CB C 13 69.5882 0.16 . 1 . 8667 . . 9 THR CB . 25184 1 38 . 1 1 9 9 THR N N 15 113.8829 0.03 . 1 . 12884 . . 9 THR N . 25184 1 39 . 1 1 10 10 ASN H H 1 8.4162 0.001 . 1 . 8696 . . 10 ASN H . 25184 1 40 . 1 1 10 10 ASN C C 13 174.9542 0.16 . 1 . 13492 . . 10 ASN C . 25184 1 41 . 1 1 10 10 ASN CA C 13 53.4593 0.16 . 1 . 13490 . . 10 ASN CA . 25184 1 42 . 1 1 10 10 ASN CB C 13 38.6468 0.16 . 1 . 13491 . . 10 ASN CB . 25184 1 43 . 1 1 10 10 ASN N N 15 120.7373 0.03 . 1 . 8698 . . 10 ASN N . 25184 1 44 . 1 1 11 11 ASN C C 13 175.0904 0.16 . 1 . 11166 . . 11 ASN C . 25184 1 45 . 1 1 11 11 ASN CA C 13 53.1944 0.16 . 1 . 10701 . . 11 ASN CA . 25184 1 46 . 1 1 11 11 ASN CB C 13 38.7205 0.16 . 1 . 10758 . . 11 ASN CB . 25184 1 47 . 1 1 12 12 ALA H H 1 8.2371 0.001 . 1 . 10649 . . 12 ALA H . 25184 1 48 . 1 1 12 12 ALA C C 13 177.5997 0.16 . 1 . 11061 . . 12 ALA C . 25184 1 49 . 1 1 12 12 ALA CA C 13 52.9023 0.16 . 1 . 9204 . . 12 ALA CA . 25184 1 50 . 1 1 12 12 ALA CB C 13 18.9901 0.16 . 1 . 9012 . . 12 ALA CB . 25184 1 51 . 1 1 12 12 ALA N N 15 124.1272 0.03 . 1 . 10651 . . 12 ALA N . 25184 1 52 . 1 1 13 13 ASN H H 1 8.3248 0.001 . 1 . 9608 . . 13 ASN H . 25184 1 53 . 1 1 13 13 ASN C C 13 175.3478 0.16 . 1 . 13372 . . 13 ASN C . 25184 1 54 . 1 1 13 13 ASN CA C 13 53.2254 0.16 . 1 . 13370 . . 13 ASN CA . 25184 1 55 . 1 1 13 13 ASN CB C 13 38.7350 0.16 . 1 . 13371 . . 13 ASN CB . 25184 1 56 . 1 1 13 13 ASN N N 15 117.3262 0.03 . 1 . 9610 . . 13 ASN N . 25184 1 57 . 1 1 14 14 SER H H 1 8.1492 0.001 . 1 . 9881 . . 14 SER H . 25184 1 58 . 1 1 14 14 SER C C 13 174.4999 0.16 . 1 . 11118 . . 14 SER C . 25184 1 59 . 1 1 14 14 SER CA C 13 58.5721 0.16 . 1 . 9180 . . 14 SER CA . 25184 1 60 . 1 1 14 14 SER CB C 13 63.6495 0.16 . 1 . 12862 . . 14 SER CB . 25184 1 61 . 1 1 14 14 SER N N 15 115.9954 0.03 . 1 . 9883 . . 14 SER N . 25184 1 62 . 1 1 15 15 SER H H 1 8.2841 0.001 . 1 . 9149 . . 15 SER H . 25184 1 63 . 1 1 15 15 SER C C 13 174.2109 0.16 . 1 . 9756 . . 15 SER C . 25184 1 64 . 1 1 15 15 SER CA C 13 58.4727 0.16 . 1 . 13537 . . 15 SER CA . 25184 1 65 . 1 1 15 15 SER CB C 13 63.7793 0.16 . 1 . 13545 . . 15 SER CB . 25184 1 66 . 1 1 15 15 SER N N 15 117.6942 0.03 . 1 . 9151 . . 15 SER N . 25184 1 67 . 1 1 16 16 ILE H H 1 8.0100 0.001 . 1 . 9407 . . 16 ILE H . 25184 1 68 . 1 1 16 16 ILE C C 13 176.0721 0.16 . 1 . 9861 . . 16 ILE C . 25184 1 69 . 1 1 16 16 ILE CA C 13 60.9608 0.16 . 1 . 9405 . . 16 ILE CA . 25184 1 70 . 1 1 16 16 ILE CB C 13 38.6430 0.16 . 1 . 9465 . . 16 ILE CB . 25184 1 71 . 1 1 16 16 ILE N N 15 121.8506 0.03 . 1 . 9409 . . 16 ILE N . 25184 1 72 . 1 1 17 17 THR H H 1 8.1900 0.001 . 1 . 9944 . . 17 THR H . 25184 1 73 . 1 1 17 17 THR C C 13 172.6310 0.16 . 1 . 9945 . . 17 THR C . 25184 1 74 . 1 1 17 17 THR CA C 13 60.0953 0.16 . 1 . 12489 . . 17 THR CA . 25184 1 75 . 1 1 17 17 THR CB C 13 69.8694 0.16 . 1 . 12486 . . 17 THR CB . 25184 1 76 . 1 1 17 17 THR N N 15 121.1774 0.03 . 1 . 9946 . . 17 THR N . 25184 1 77 . 1 1 18 18 PRO C C 13 176.3560 0.16 . 1 . 11067 . . 18 PRO C . 25184 1 78 . 1 1 18 18 PRO CA C 13 63.1673 0.16 . 1 . 10647 . . 18 PRO CA . 25184 1 79 . 1 1 18 18 PRO CB C 13 32.0423 0.16 . 1 . 11773 . . 18 PRO CB . 25184 1 80 . 1 1 19 19 ALA H H 1 8.2593 0.001 . 1 . 9611 . . 19 ALA H . 25184 1 81 . 1 1 19 19 ALA C C 13 177.4065 0.16 . 1 . 13380 . . 19 ALA C . 25184 1 82 . 1 1 19 19 ALA CA C 13 52.2887 0.16 . 1 . . . . 19 ALA CA . 25184 1 83 . 1 1 19 19 ALA CB C 13 19.0628 0.16 . 1 . 13382 . . 19 ALA CB . 25184 1 84 . 1 1 19 19 ALA N N 15 124.1896 0.03 . 1 . 9613 . . 19 ALA N . 25184 1 85 . 1 1 20 20 PHE H H 1 8.1216 0.001 . 1 . 9851 . . 20 PHE H . 25184 1 86 . 1 1 20 20 PHE C C 13 176.2519 0.16 . 1 . 13442 . . 20 PHE C . 25184 1 87 . 1 1 20 20 PHE CA C 13 57.9036 0.16 . 1 . 13444 . . 20 PHE CA . 25184 1 88 . 1 1 20 20 PHE CB C 13 39.4047 0.16 . 1 . 13443 . . 20 PHE CB . 25184 1 89 . 1 1 20 20 PHE N N 15 119.3313 0.03 . 1 . 9853 . . 20 PHE N . 25184 1 90 . 1 1 21 21 GLY H H 1 8.1841 0.001 . 1 . 11345 . . 21 GLY H . 25184 1 91 . 1 1 21 21 GLY C C 13 174.0632 0.16 . 1 . 13291 . . 21 GLY C . 25184 1 92 . 1 1 21 21 GLY CA C 13 45.2437 0.16 . 1 . 13411 . . 21 GLY CA . 25184 1 93 . 1 1 21 21 GLY N N 15 110.5926 0.03 . 1 . 11347 . . 21 GLY N . 25184 1 94 . 1 1 22 22 SER H H 1 8.1394 0.001 . 1 . 13254 . . 22 SER H . 25184 1 95 . 1 1 22 22 SER C C 13 174.3321 0.16 . 1 . 13460 . . 22 SER C . 25184 1 96 . 1 1 22 22 SER CA C 13 58.3810 0.16 . 1 . 10398 . . 22 SER CA . 25184 1 97 . 1 1 22 22 SER CB C 13 63.9034 0.16 . 1 . 11376 . . 22 SER CB . 25184 1 98 . 1 1 22 22 SER N N 15 115.3927 0.03 . 1 . 13256 . . 22 SER N . 25184 1 99 . 1 1 23 23 ASN H H 1 8.4972 0.001 . 1 . 9584 . . 23 ASN H . 25184 1 100 . 1 1 23 23 ASN C C 13 174.9221 0.16 . 1 . 13480 . . 23 ASN C . 25184 1 101 . 1 1 23 23 ASN CA C 13 53.2207 0.16 . 1 . 13481 . . 23 ASN CA . 25184 1 102 . 1 1 23 23 ASN CB C 13 38.6823 0.16 . 1 . 13482 . . 23 ASN CB . 25184 1 103 . 1 1 23 23 ASN N N 15 120.3421 0.03 . 1 . 9586 . . 23 ASN N . 25184 1 104 . 1 1 24 24 ASN H H 1 8.3553 0.001 . 1 . 8843 . . 24 ASN H . 25184 1 105 . 1 1 24 24 ASN C C 13 175.4552 0.16 . 1 . 13456 . . 24 ASN C . 25184 1 106 . 1 1 24 24 ASN CA C 13 53.3677 0.16 . 1 . 13454 . . 24 ASN CA . 25184 1 107 . 1 1 24 24 ASN CB C 13 38.7700 0.16 . 1 . 13455 . . 24 ASN CB . 25184 1 108 . 1 1 24 24 ASN N N 15 119.3253 0.03 . 1 . 8845 . . 24 ASN N . 25184 1 109 . 1 1 25 25 THR H H 1 8.1023 0.001 . 1 . 9884 . . 25 THR H . 25184 1 110 . 1 1 25 25 THR C C 13 175.1822 0.16 . 1 . 9696 . . 25 THR C . 25184 1 111 . 1 1 25 25 THR CA C 13 62.0751 0.16 . 1 . 10476 . . 25 THR CA . 25184 1 112 . 1 1 25 25 THR CB C 13 69.6657 0.16 . 1 . 13458 . . 25 THR CB . 25184 1 113 . 1 1 25 25 THR N N 15 113.5029 0.03 . 1 . 9886 . . 25 THR N . 25184 1 114 . 1 1 26 26 GLY H H 1 8.3802 0.001 . 1 . 9695 . . 26 GLY H . 25184 1 115 . 1 1 26 26 GLY C C 13 173.8817 0.16 . 1 . 9780 . . 26 GLY C . 25184 1 116 . 1 1 26 26 GLY CA C 13 45.3640 0.16 . 1 . 12254 . . 26 GLY CA . 25184 1 117 . 1 1 26 26 GLY N N 15 110.7644 0.03 . 1 . 9697 . . 26 GLY N . 25184 1 118 . 1 1 27 27 ASN H H 1 8.2589 0.001 . 1 . 12253 . . 27 ASN H . 25184 1 119 . 1 1 27 27 ASN C C 13 175.6008 0.16 . 1 . 12266 . . 27 ASN C . 25184 1 120 . 1 1 27 27 ASN CA C 13 53.2070 0.16 . 1 . 12257 . . 27 ASN CA . 25184 1 121 . 1 1 27 27 ASN CB C 13 38.8434 0.16 . 1 . 12263 . . 27 ASN CB . 25184 1 122 . 1 1 27 27 ASN N N 15 118.8745 0.03 . 1 . 12255 . . 27 ASN N . 25184 1 123 . 1 1 28 28 THR H H 1 8.1086 0.001 . 1 . 9920 . . 28 THR H . 25184 1 124 . 1 1 28 28 THR C C 13 174.3024 0.16 . 1 . 11172 . . 28 THR C . 25184 1 125 . 1 1 28 28 THR CA C 13 61.9656 0.16 . 1 . 12874 . . 28 THR CA . 25184 1 126 . 1 1 28 28 THR CB C 13 69.7747 0.16 . 1 . 12871 . . 28 THR CB . 25184 1 127 . 1 1 28 28 THR N N 15 114.3145 0.03 . 1 . 9922 . . 28 THR N . 25184 1 128 . 1 1 29 29 ALA H H 1 8.1918 0.001 . 1 . 10661 . . 29 ALA H . 25184 1 129 . 1 1 29 29 ALA C C 13 177.3382 0.16 . 1 . 9951 . . 29 ALA C . 25184 1 130 . 1 1 29 29 ALA CA C 13 52.5321 0.16 . 1 . 12504 . . 29 ALA CA . 25184 1 131 . 1 1 29 29 ALA CB C 13 19.0380 0.16 . 1 . 12507 . . 29 ALA CB . 25184 1 132 . 1 1 29 29 ALA N N 15 125.8185 0.03 . 1 . 10663 . . 29 ALA N . 25184 1 133 . 1 1 30 30 PHE H H 1 8.0527 0.001 . 1 . 10847 . . 30 PHE H . 25184 1 134 . 1 1 30 30 PHE C C 13 176.3101 0.16 . 1 . 12480 . . 30 PHE C . 25184 1 135 . 1 1 30 30 PHE CA C 13 57.6209 0.16 . 1 . 13332 . . 30 PHE CA . 25184 1 136 . 1 1 30 30 PHE CB C 13 39.3841 0.16 . 1 . 13333 . . 30 PHE CB . 25184 1 137 . 1 1 30 30 PHE N N 15 118.8937 0.03 . 1 . 10849 . . 30 PHE N . 25184 1 138 . 1 1 31 31 GLY H H 1 8.1908 0.001 . 1 . 9932 . . 31 GLY H . 25184 1 139 . 1 1 31 31 GLY C C 13 173.8354 0.16 . 1 . 12284 . . 31 GLY C . 25184 1 140 . 1 1 31 31 GLY CA C 13 45.5552 0.16 . 1 . 9303 . . 31 GLY CA . 25184 1 141 . 1 1 31 31 GLY N N 15 110.1378 0.03 . 1 . 9934 . . 31 GLY N . 25184 1 142 . 1 1 32 32 ASN H H 1 8.2357 0.001 . 1 . 12277 . . 32 ASN H . 25184 1 143 . 1 1 32 32 ASN C C 13 175.2018 0.16 . 1 . 12281 . . 32 ASN C . 25184 1 144 . 1 1 32 32 ASN CA C 13 53.2236 0.16 . 1 . 12296 . . 32 ASN CA . 25184 1 145 . 1 1 32 32 ASN CB C 13 38.8439 0.16 . 1 . 9342 . . 32 ASN CB . 25184 1 146 . 1 1 32 32 ASN N N 15 118.8479 0.03 . 1 . 12279 . . 32 ASN N . 25184 1 147 . 1 1 33 33 SER H H 1 8.2612 0.001 . 1 . 9215 . . 33 SER H . 25184 1 148 . 1 1 33 33 SER C C 13 173.7572 0.16 . 1 . 13433 . . 33 SER C . 25184 1 149 . 1 1 33 33 SER CA C 13 58.2978 0.16 . 1 . 14599 . . 33 SER CA . 25184 1 150 . 1 1 33 33 SER CB C 13 63.8573 0.16 . 1 . 9078 . . 33 SER CB . 25184 1 151 . 1 1 33 33 SER N N 15 116.0623 0.03 . 1 . 9217 . . 33 SER N . 25184 1 152 . 1 1 34 34 ASN H H 1 8.3906 0.001 . 1 . 14592 . . 34 ASN H . 25184 1 153 . 1 1 34 34 ASN C C 13 173.3240 0.16 . 1 . 14611 . . 34 ASN C . 25184 1 154 . 1 1 34 34 ASN CA C 13 51.4904 0.16 . 1 . 14605 . . 34 ASN CA . 25184 1 155 . 1 1 34 34 ASN CB C 13 38.8155 0.16 . 1 . 14608 . . 34 ASN CB . 25184 1 156 . 1 1 34 34 ASN N N 15 121.2255 0.03 . 1 . 14594 . . 34 ASN N . 25184 1 157 . 1 1 35 35 PRO C C 13 177.2190 0.16 . 1 . . . . 35 PRO C . 25184 1 158 . 1 1 35 35 PRO CA C 13 63.6036 0.16 . 1 . . . . 35 PRO CA . 25184 1 159 . 1 1 35 35 PRO CB C 13 32.0609 0.16 . 1 . . . . 35 PRO CB . 25184 1 160 . 1 1 36 36 THR H H 1 8.1453 0.001 . 1 . . . . 36 THR H . 25184 1 161 . 1 1 36 36 THR C C 13 174.6227 0.16 . 1 . . . . 36 THR C . 25184 1 162 . 1 1 36 36 THR CA C 13 61.8724 0.16 . 1 . . . . 36 THR CA . 25184 1 163 . 1 1 36 36 THR CB C 13 69.4886 0.16 . 1 . . . . 36 THR CB . 25184 1 164 . 1 1 36 36 THR N N 15 113.0761 0.03 . 1 . . . . 36 THR N . 25184 1 165 . 1 1 37 37 SER H H 1 8.0885 0.001 . 1 . . . . 37 SER H . 25184 1 166 . 1 1 37 37 SER C C 13 172.7207 0.16 . 1 . . . . 37 SER C . 25184 1 167 . 1 1 37 37 SER N N 15 116.7377 0.03 . 1 . . . . 37 SER N . 25184 1 168 . 1 1 45 45 SER C C 13 174.8951 0.16 . 1 . 11169 . . 45 SER C . 25184 1 169 . 1 1 45 45 SER CA C 13 58.6132 0.16 . 1 . 10689 . . 45 SER CA . 25184 1 170 . 1 1 45 45 SER CB C 13 63.7894 0.16 . 1 . 10653 . . 45 SER CB . 25184 1 171 . 1 1 46 46 THR H H 1 8.2151 0.001 . 1 . 9101 . . 46 THR H . 25184 1 172 . 1 1 46 46 THR C C 13 174.7912 0.16 . 1 . 9894 . . 46 THR C . 25184 1 173 . 1 1 46 46 THR CA C 13 61.9624 0.16 . 1 . 9102 . . 46 THR CA . 25184 1 174 . 1 1 46 46 THR CB C 13 69.5975 0.16 . 1 . 9027 . . 46 THR CB . 25184 1 175 . 1 1 46 46 THR N N 15 115.4076 0.03 . 1 . 9103 . . 46 THR N . 25184 1 176 . 1 1 47 47 THR H H 1 8.0663 0.001 . 1 . 9968 . . 47 THR H . 25184 1 177 . 1 1 47 47 THR C C 13 174.1929 0.16 . 1 . 9969 . . 47 THR C . 25184 1 178 . 1 1 47 47 THR CA C 13 61.9873 0.16 . 1 . 9411 . . 47 THR CA . 25184 1 179 . 1 1 47 47 THR CB C 13 69.6552 0.16 . 1 . 9396 . . 47 THR CB . 25184 1 180 . 1 1 47 47 THR N N 15 115.7252 0.03 . 1 . 9970 . . 47 THR N . 25184 1 181 . 1 1 48 48 ASN H H 1 8.3674 0.001 . 1 . 10424 . . 48 ASN H . 25184 1 182 . 1 1 48 48 ASN C C 13 175.2336 0.16 . 1 . 13469 . . 48 ASN C . 25184 1 183 . 1 1 48 48 ASN CA C 13 53.1138 0.16 . 1 . 14337 . . 48 ASN CA . 25184 1 184 . 1 1 48 48 ASN CB C 13 38.6430 0.16 . 1 . 14326 . . 48 ASN CB . 25184 1 185 . 1 1 48 48 ASN N N 15 121.3030 0.03 . 1 . 10426 . . 48 ASN N . 25184 1 186 . 1 1 49 49 THR H H 1 8.0173 0.001 . 1 . 11267 . . 49 THR H . 25184 1 187 . 1 1 49 49 THR C C 13 174.3852 0.16 . 1 . 14316 . . 49 THR C . 25184 1 188 . 1 1 49 49 THR CA C 13 61.9916 0.16 . 1 . 14314 . . 49 THR CA . 25184 1 189 . 1 1 49 49 THR CB C 13 69.7045 0.16 . 1 . 14315 . . 49 THR CB . 25184 1 190 . 1 1 49 49 THR N N 15 114.2478 0.03 . 1 . 11269 . . 49 THR N . 25184 1 191 . 1 1 50 50 PHE H H 1 8.2248 0.001 . 1 . 10667 . . 50 PHE H . 25184 1 192 . 1 1 50 50 PHE C C 13 176.2441 0.16 . 1 . 12477 . . 50 PHE C . 25184 1 193 . 1 1 50 50 PHE CA C 13 58.1179 0.16 . 1 . 13448 . . 50 PHE CA . 25184 1 194 . 1 1 50 50 PHE CB C 13 39.1508 0.16 . 1 . 13449 . . 50 PHE CB . 25184 1 195 . 1 1 50 50 PHE N N 15 122.0989 0.03 . 1 . 10669 . . 50 PHE N . 25184 1 196 . 1 1 51 51 GLY H H 1 8.2495 0.001 . 1 . 9929 . . 51 GLY H . 25184 1 197 . 1 1 51 51 GLY C C 13 174.1088 0.16 . 1 . 13336 . . 51 GLY C . 25184 1 198 . 1 1 51 51 GLY CA C 13 45.3858 0.16 . 1 . 12474 . . 51 GLY CA . 25184 1 199 . 1 1 51 51 GLY N N 15 110.5445 0.03 . 1 . 9931 . . 51 GLY N . 25184 1 200 . 1 1 52 52 SER H H 1 8.1560 0.001 . 1 . 12837 . . 52 SER H . 25184 1 201 . 1 1 52 52 SER C C 13 174.4965 0.16 . 1 . 13385 . . 52 SER C . 25184 1 202 . 1 1 52 52 SER CA C 13 58.5432 0.16 . 1 . 13384 . . 52 SER CA . 25184 1 203 . 1 1 52 52 SER CB C 13 63.8053 0.16 . 1 . 13383 . . 52 SER CB . 25184 1 204 . 1 1 52 52 SER N N 15 115.5245 0.03 . 1 . 12839 . . 52 SER N . 25184 1 205 . 1 1 53 53 ASN H H 1 8.5100 0.001 . 1 . 11339 . . 53 ASN H . 25184 1 206 . 1 1 53 53 ASN C C 13 175.4090 0.16 . 1 . 14309 . . 53 ASN C . 25184 1 207 . 1 1 53 53 ASN CA C 13 53.3875 0.16 . 1 . 14308 . . 53 ASN CA . 25184 1 208 . 1 1 53 53 ASN CB C 13 38.8632 0.16 . 1 . 14307 . . 53 ASN CB . 25184 1 209 . 1 1 53 53 ASN N N 15 120.7600 0.03 . 1 . 11341 . . 53 ASN N . 25184 1 210 . 1 1 54 54 SER H H 1 8.2387 0.001 . 1 . 9914 . . 54 SER H . 25184 1 211 . 1 1 54 54 SER C C 13 174.3943 0.16 . 1 . 9915 . . 54 SER C . 25184 1 212 . 1 1 54 54 SER CA C 13 58.5256 0.16 . 1 . 13473 . . 54 SER CA . 25184 1 213 . 1 1 54 54 SER CB C 13 63.7245 0.16 . 1 . 13476 . . 54 SER CB . 25184 1 214 . 1 1 54 54 SER N N 15 116.2048 0.03 . 1 . 9916 . . 54 SER N . 25184 1 215 . 1 1 55 55 ALA H H 1 8.2775 0.001 . 1 . 9200 . . 55 ALA H . 25184 1 216 . 1 1 55 55 ALA C C 13 178.1800 0.16 . 1 . 9597 . . 55 ALA C . 25184 1 217 . 1 1 55 55 ALA CA C 13 52.8140 0.16 . 1 . 9201 . . 55 ALA CA . 25184 1 218 . 1 1 55 55 ALA CB C 13 19.1984 0.16 . 1 . 9006 . . 55 ALA CB . 25184 1 219 . 1 1 55 55 ALA N N 15 125.6578 0.03 . 1 . 9202 . . 55 ALA N . 25184 1 220 . 1 1 56 56 GLY H H 1 8.2579 0.001 . 1 . 10826 . . 56 GLY H . 25184 1 221 . 1 1 56 56 GLY C C 13 174.3960 0.16 . 1 . 9768 . . 56 GLY C . 25184 1 222 . 1 1 56 56 GLY CA C 13 45.3707 0.16 . 1 . 13067 . . 56 GLY CA . 25184 1 223 . 1 1 56 56 GLY N N 15 107.7219 0.03 . 1 . 10828 . . 56 GLY N . 25184 1 224 . 1 1 57 57 THR H H 1 7.9531 0.001 . 1 . 13057 . . 57 THR H . 25184 1 225 . 1 1 57 57 THR C C 13 174.6846 0.16 . 1 . 14429 . . 57 THR C . 25184 1 226 . 1 1 57 57 THR CA C 13 61.9993 0.16 . 1 . 14427 . . 57 THR CA . 25184 1 227 . 1 1 57 57 THR CB C 13 69.8694 0.16 . 1 . 14428 . . 57 THR CB . 25184 1 228 . 1 1 57 57 THR N N 15 113.2652 0.03 . 1 . 13059 . . 57 THR N . 25184 1 229 . 1 1 62 62 SER C C 13 174.7688 0.16 . 1 . 11343 . . 62 SER C . 25184 1 230 . 1 1 62 62 SER CA C 13 58.3182 0.16 . 1 . 13219 . . 62 SER CA . 25184 1 231 . 1 1 62 62 SER CB C 13 63.9034 0.16 . 1 . 13216 . . 62 SER CB . 25184 1 232 . 1 1 63 63 SER H H 1 8.3818 0.001 . 1 . 8684 . . 63 SER H . 25184 1 233 . 1 1 63 63 SER C C 13 174.8065 0.16 . 1 . . . . 63 SER C . 25184 1 234 . 1 1 63 63 SER CA C 13 58.5919 0.16 . 1 . 13228 . . 63 SER CA . 25184 1 235 . 1 1 63 63 SER CB C 13 63.8497 0.16 . 1 . 13225 . . 63 SER CB . 25184 1 236 . 1 1 63 63 SER N N 15 117.9117 0.03 . 1 . 8686 . . 63 SER N . 25184 1 237 . 1 1 64 64 SER H H 1 8.2989 0.001 . 1 . 8960 . . 64 SER H . 25184 1 238 . 1 1 64 64 SER C C 13 174.5462 0.16 . 1 . 9717 . . 64 SER C . 25184 1 239 . 1 1 64 64 SER CA C 13 58.6311 0.16 . 1 . 8742 . . 64 SER CA . 25184 1 240 . 1 1 64 64 SER CB C 13 63.7543 0.16 . 1 . 8688 . . 64 SER CB . 25184 1 241 . 1 1 64 64 SER N N 15 117.7232 0.03 . 1 . 8962 . . 64 SER N . 25184 1 242 . 1 1 65 65 ALA H H 1 8.2080 0.001 . 1 . 9383 . . 65 ALA H . 25184 1 243 . 1 1 65 65 ALA C C 13 177.8172 0.16 . 1 . 11142 . . 65 ALA C . 25184 1 244 . 1 1 65 65 ALA CA C 13 52.8255 0.16 . 1 . 9210 . . 65 ALA CA . 25184 1 245 . 1 1 65 65 ALA CB C 13 18.9620 0.16 . 1 . 9390 . . 65 ALA CB . 25184 1 246 . 1 1 65 65 ALA N N 15 125.5736 0.03 . 1 . 9385 . . 65 ALA N . 25184 1 247 . 1 1 66 66 GLN H H 1 8.1661 0.001 . 1 . 9254 . . 66 GLN H . 25184 1 248 . 1 1 66 66 GLN C C 13 176.1265 0.16 . 1 . 9864 . . 66 GLN C . 25184 1 249 . 1 1 66 66 GLN CA C 13 56.0904 0.16 . 1 . 9195 . . 66 GLN CA . 25184 1 250 . 1 1 66 66 GLN CB C 13 29.2819 0.16 . 1 . 9366 . . 66 GLN CB . 25184 1 251 . 1 1 66 66 GLN N N 15 118.7203 0.03 . 1 . 9256 . . 66 GLN N . 25184 1 252 . 1 1 67 67 GLN H H 1 8.2822 0.001 . 1 . 10547 . . 67 GLN H . 25184 1 253 . 1 1 67 67 GLN C C 13 176.1970 0.16 . 1 . 9642 . . 67 GLN C . 25184 1 254 . 1 1 67 67 GLN CA C 13 56.0116 0.16 . 1 . 8772 . . 67 GLN CA . 25184 1 255 . 1 1 67 67 GLN CB C 13 29.4102 0.16 . 1 . 8985 . . 67 GLN CB . 25184 1 256 . 1 1 67 67 GLN N N 15 121.1939 0.03 . 1 . 10549 . . 67 GLN N . 25184 1 257 . 1 1 68 68 THR H H 1 8.1546 0.001 . 1 . 12819 . . 68 THR H . 25184 1 258 . 1 1 68 68 THR C C 13 174.5069 0.16 . 1 . 9714 . . 68 THR C . 25184 1 259 . 1 1 68 68 THR CA C 13 61.9845 0.16 . 1 . 12859 . . 68 THR CA . 25184 1 260 . 1 1 68 68 THR CB C 13 69.7731 0.16 . 1 . 12835 . . 68 THR CB . 25184 1 261 . 1 1 68 68 THR N N 15 115.6015 0.03 . 1 . 12821 . . 68 THR N . 25184 1 262 . 1 1 69 69 LYS H H 1 8.3074 0.001 . 1 . 9713 . . 69 LYS H . 25184 1 263 . 1 1 69 69 LYS C C 13 176.5672 0.16 . 1 . 13356 . . 69 LYS C . 25184 1 264 . 1 1 69 69 LYS CA C 13 56.2774 0.16 . 1 . 8766 . . 69 LYS CA . 25184 1 265 . 1 1 69 69 LYS CB C 13 32.9297 0.16 . 1 . 8970 . . 69 LYS CB . 25184 1 266 . 1 1 69 69 LYS N N 15 123.6543 0.03 . 1 . 9715 . . 69 LYS N . 25184 1 267 . 1 1 70 70 SER H H 1 8.3310 0.001 . 1 . 13346 . . 70 SER H . 25184 1 268 . 1 1 70 70 SER C C 13 174.3986 0.16 . 1 . 13365 . . 70 SER C . 25184 1 269 . 1 1 70 70 SER CA C 13 58.3407 0.16 . 1 . 8730 . . 70 SER CA . 25184 1 270 . 1 1 70 70 SER CB C 13 63.8043 0.16 . 1 . 13362 . . 70 SER CB . 25184 1 271 . 1 1 70 70 SER N N 15 116.9200 0.03 . 1 . 13348 . . 70 SER N . 25184 1 272 . 1 1 71 71 ASN H H 1 8.4442 0.001 . 1 . 8729 . . 71 ASN H . 25184 1 273 . 1 1 71 71 ASN C C 13 175.7233 0.16 . 1 . 9567 . . 71 ASN C . 25184 1 274 . 1 1 71 71 ASN CA C 13 53.1757 0.16 . 1 . 11364 . . 71 ASN CA . 25184 1 275 . 1 1 71 71 ASN CB C 13 38.7681 0.16 . 1 . 11367 . . 71 ASN CB . 25184 1 276 . 1 1 71 71 ASN N N 15 120.8251 0.03 . 1 . 8731 . . 71 ASN N . 25184 1 277 . 1 1 72 72 GLY H H 1 8.3346 0.001 . 1 . 8948 . . 72 GLY H . 25184 1 278 . 1 1 72 72 GLY C C 13 174.3972 0.16 . 1 . 13342 . . 72 GLY C . 25184 1 279 . 1 1 72 72 GLY CA C 13 45.4695 0.16 . 1 . 10860 . . 72 GLY CA . 25184 1 280 . 1 1 72 72 GLY N N 15 109.0101 0.03 . 1 . 8950 . . 72 GLY N . 25184 1 281 . 1 1 73 73 THR H H 1 8.0459 0.001 . 1 . 10859 . . 73 THR H . 25184 1 282 . 1 1 73 73 THR C C 13 174.5721 0.16 . 1 . 13340 . . 73 THR C . 25184 1 283 . 1 1 73 73 THR CA C 13 61.7608 0.16 . 1 . 13339 . . 73 THR CA . 25184 1 284 . 1 1 73 73 THR CB C 13 69.8992 0.16 . 1 . 13338 . . 73 THR CB . 25184 1 285 . 1 1 73 73 THR N N 15 113.4632 0.03 . 1 . 10861 . . 73 THR N . 25184 1 286 . 1 1 74 74 ALA H H 1 8.3581 0.001 . 1 . 9710 . . 74 ALA H . 25184 1 287 . 1 1 74 74 ALA C C 13 178.0899 0.16 . 1 . 9594 . . 74 ALA C . 25184 1 288 . 1 1 74 74 ALA CA C 13 52.6613 0.16 . 1 . 11654 . . 74 ALA CA . 25184 1 289 . 1 1 74 74 ALA CB C 13 19.0395 0.16 . 1 . 9003 . . 74 ALA CB . 25184 1 290 . 1 1 74 74 ALA N N 15 126.4908 0.03 . 1 . 9712 . . 74 ALA N . 25184 1 291 . 1 1 75 75 GLY H H 1 8.3112 0.001 . 1 . 9593 . . 75 GLY H . 25184 1 292 . 1 1 75 75 GLY C C 13 174.6331 0.16 . 1 . 11196 . . 75 GLY C . 25184 1 293 . 1 1 75 75 GLY CA C 13 45.2494 0.16 . 1 . 10746 . . 75 GLY CA . 25184 1 294 . 1 1 75 75 GLY N N 15 108.2607 0.03 . 1 . 9595 . . 75 GLY N . 25184 1 295 . 1 1 76 76 GLY H H 1 8.1877 0.001 . 1 . 9320 . . 76 GLY H . 25184 1 296 . 1 1 76 76 GLY C C 13 173.9231 0.16 . 1 . 13323 . . 76 GLY C . 25184 1 297 . 1 1 76 76 GLY CA C 13 45.3322 0.16 . 1 . . . . 76 GLY CA . 25184 1 298 . 1 1 76 76 GLY N N 15 108.5016 0.03 . 1 . 9322 . . 76 GLY N . 25184 1 299 . 1 1 87 87 ASN C C 13 175.3628 0.16 . 1 . . . . 87 ASN C . 25184 1 300 . 1 1 87 87 ASN CA C 13 53.3677 0.16 . 1 . . . . 87 ASN CA . 25184 1 301 . 1 1 87 87 ASN CB C 13 38.8969 0.16 . 1 . . . . 87 ASN CB . 25184 1 302 . 1 1 88 88 SER H H 1 8.2872 0.001 . 1 . . . . 88 SER H . 25184 1 303 . 1 1 88 88 SER CA C 13 58.9529 0.16 . 1 . . . . 88 SER CA . 25184 1 304 . 1 1 88 88 SER CB C 13 63.7764 0.16 . 1 . . . . 88 SER CB . 25184 1 305 . 1 1 88 88 SER N N 15 116.0459 0.03 . 1 . . . . 88 SER N . 25184 1 306 . 1 1 89 89 THR C C 13 174.4162 0.16 . 1 . . . . 89 THR C . 25184 1 307 . 1 1 89 89 THR CA C 13 62.0529 0.16 . 1 . . . . 89 THR CA . 25184 1 308 . 1 1 89 89 THR CB C 13 69.4886 0.16 . 1 . . . . 89 THR CB . 25184 1 309 . 1 1 90 90 ASN H H 1 8.3381 0.001 . 1 . . . . 90 ASN H . 25184 1 310 . 1 1 90 90 ASN CA C 13 53.4212 0.16 . 1 . . . . 90 ASN CA . 25184 1 311 . 1 1 90 90 ASN CB C 13 38.7700 0.16 . 1 . . . . 90 ASN CB . 25184 1 312 . 1 1 90 90 ASN N N 15 120.8038 0.03 . 1 . . . . 90 ASN N . 25184 1 313 . 1 1 92 92 ASN C C 13 175.4562 0.16 . 1 . . . . 92 ASN C . 25184 1 314 . 1 1 92 92 ASN CA C 13 53.2407 0.16 . 1 . . . . 92 ASN CA . 25184 1 315 . 1 1 92 92 ASN CB C 13 38.6430 0.16 . 1 . . . . 92 ASN CB . 25184 1 316 . 1 1 93 93 THR H H 1 8.0587 0.001 . 1 . . . . 93 THR H . 25184 1 317 . 1 1 93 93 THR CA C 13 61.9993 0.16 . 1 . . . . 93 THR CA . 25184 1 318 . 1 1 93 93 THR CB C 13 69.7425 0.16 . 1 . . . . 93 THR CB . 25184 1 319 . 1 1 93 93 THR N N 15 113.9233 0.03 . 1 . . . . 93 THR N . 25184 1 320 . 1 1 97 97 ALA H H 1 8.2590 0.001 . 1 . . . . 97 ALA H . 25184 1 321 . 1 1 97 97 ALA C C 13 177.4060 0.16 . 1 . . . . 97 ALA C . 25184 1 322 . 1 1 97 97 ALA CA C 13 52.2887 0.16 . 1 . . . . 97 ALA CA . 25184 1 323 . 1 1 97 97 ALA CB C 13 19.0630 0.16 . 1 . . . . 97 ALA CB . 25184 1 324 . 1 1 97 97 ALA N N 15 124.1900 0.03 . 1 . . . . 97 ALA N . 25184 1 325 . 1 1 98 98 PHE H H 1 8.1220 0.001 . 1 . . . . 98 PHE H . 25184 1 326 . 1 1 98 98 PHE C C 13 176.2695 0.16 . 1 . . . . 98 PHE C . 25184 1 327 . 1 1 98 98 PHE CA C 13 57.8700 0.16 . 1 . . . . 98 PHE CA . 25184 1 328 . 1 1 98 98 PHE CB C 13 39.3576 0.16 . 1 . . . . 98 PHE CB . 25184 1 329 . 1 1 98 98 PHE N N 15 119.3310 0.03 . 1 . . . . 98 PHE N . 25184 1 330 . 1 1 99 99 GLY H H 1 8.2707 0.001 . 1 . . . . 99 GLY H . 25184 1 331 . 1 1 99 99 GLY C C 13 174.0842 0.16 . 1 . . . . 99 GLY C . 25184 1 332 . 1 1 99 99 GLY CA C 13 45.4242 0.16 . 1 . . . . 99 GLY CA . 25184 1 333 . 1 1 99 99 GLY N N 15 110.7661 0.03 . 1 . . . . 99 GLY N . 25184 1 334 . 1 1 104 104 GLY C C 13 174.6033 0.16 . 1 . 11280 . . 104 GLY C . 25184 1 335 . 1 1 104 104 GLY CA C 13 45.1292 0.16 . 1 . 10866 . . 104 GLY CA . 25184 1 336 . 1 1 105 105 GLY H H 1 8.0071 0.001 . 1 . 9449 . . 105 GLY H . 25184 1 337 . 1 1 105 105 GLY C C 13 174.6327 0.16 . 1 . 13014 . . 105 GLY C . 25184 1 338 . 1 1 105 105 GLY CA C 13 45.1168 0.16 . 1 . 9450 . . 105 GLY CA . 25184 1 339 . 1 1 105 105 GLY N N 15 108.4966 0.03 . 1 . 9451 . . 105 GLY N . 25184 1 340 . 1 1 106 106 GLY H H 1 8.2619 0.001 . 1 . 9305 . . 106 GLY H . 25184 1 341 . 1 1 106 106 GLY C C 13 173.9032 0.16 . 1 . 13309 . . 106 GLY C . 25184 1 342 . 1 1 106 106 GLY CA C 13 45.1168 0.16 . 1 . 9450 . . 106 GLY CA . 25184 1 343 . 1 1 106 106 GLY N N 15 108.6635 0.03 . 1 . 9307 . . 106 GLY N . 25184 1 344 . 1 1 107 107 ASN H H 1 8.3380 0.001 . 1 . 9659 . . 107 ASN H . 25184 1 345 . 1 1 107 107 ASN C C 13 174.9556 0.16 . 1 . 9576 . . 107 ASN C . 25184 1 346 . 1 1 107 107 ASN CA C 13 53.1138 0.16 . 1 . 13313 . . 107 ASN CA . 25184 1 347 . 1 1 107 107 ASN CB C 13 38.7700 0.16 . 1 . 13312 . . 107 ASN CB . 25184 1 348 . 1 1 107 107 ASN N N 15 118.5880 0.03 . 1 . 9661 . . 107 ASN N . 25184 1 349 . 1 1 108 108 ASN H H 1 8.4411 0.001 . 1 . 9671 . . 108 ASN H . 25184 1 350 . 1 1 108 108 ASN C C 13 175.2443 0.16 . 1 . 13303 . . 108 ASN C . 25184 1 351 . 1 1 108 108 ASN CA C 13 53.4410 0.16 . 1 . 13304 . . 108 ASN CA . 25184 1 352 . 1 1 108 108 ASN CB C 13 38.7700 0.16 . 1 . 13305 . . 108 ASN CB . 25184 1 353 . 1 1 108 108 ASN N N 15 119.1939 0.03 . 1 . 9673 . . 108 ASN N . 25184 1 354 . 1 1 109 109 THR H H 1 8.1003 0.001 . 1 . 12909 . . 109 THR H . 25184 1 355 . 1 1 109 109 THR C C 13 174.4311 0.16 . 1 . 14478 . . 109 THR C . 25184 1 356 . 1 1 109 109 THR CA C 13 61.9466 0.16 . 1 . 12949 . . 109 THR CA . 25184 1 357 . 1 1 109 109 THR CB C 13 69.8783 0.16 . 1 . 12946 . . 109 THR CB . 25184 1 358 . 1 1 109 109 THR N N 15 113.9322 0.03 . 1 . 12911 . . 109 THR N . 25184 1 359 . 1 1 110 110 THR H H 1 8.1964 0.001 . 1 . 10637 . . 110 THR H . 25184 1 360 . 1 1 110 110 THR C C 13 172.8541 0.16 . 1 . 9939 . . 110 THR C . 25184 1 361 . 1 1 110 110 THR CA C 13 60.1424 0.16 . 1 . 9117 . . 110 THR CA . 25184 1 362 . 1 1 110 110 THR CB C 13 69.7609 0.16 . 1 . 9024 . . 110 THR CB . 25184 1 363 . 1 1 110 110 THR N N 15 118.9981 0.03 . 1 . 10639 . . 110 THR N . 25184 1 364 . 1 1 111 111 PRO C C 13 176.9324 0.16 . 1 . 11007 . . 111 PRO C . 25184 1 365 . 1 1 111 111 PRO CA C 13 63.3011 0.16 . 1 . 10458 . . 111 PRO CA . 25184 1 366 . 1 1 111 111 PRO CB C 13 32.0003 0.16 . 1 . 10578 . . 111 PRO CB . 25184 1 367 . 1 1 112 112 SER H H 1 8.3873 0.001 . 1 . 10604 . . 112 SER H . 25184 1 368 . 1 1 112 112 SER C C 13 174.8688 0.16 . 1 . . . . 112 SER C . 25184 1 369 . 1 1 112 112 SER CA C 13 58.5274 0.16 . 1 . 11482 . . 112 SER CA . 25184 1 370 . 1 1 112 112 SER CB C 13 63.8548 0.16 . 1 . 14502 . . 112 SER CB . 25184 1 371 . 1 1 112 112 SER N N 15 115.9211 0.03 . 1 . 10606 . . 112 SER N . 25184 1 372 . 1 1 113 113 SER H H 1 8.4209 0.001 . 1 . 8681 . . 113 SER H . 25184 1 373 . 1 1 113 113 SER C C 13 174.8847 0.16 . 1 . . . . 113 SER C . 25184 1 374 . 1 1 113 113 SER CA C 13 58.5258 0.16 . 1 . 13422 . . 113 SER CA . 25184 1 375 . 1 1 113 113 SER CB C 13 63.7750 0.16 . 1 . 13421 . . 113 SER CB . 25184 1 376 . 1 1 113 113 SER N N 15 117.9053 0.03 . 1 . 8683 . . 113 SER N . 25184 1 377 . 1 1 114 114 THR H H 1 8.1444 0.001 . 1 . 9032 . . 114 THR H . 25184 1 378 . 1 1 114 114 THR C C 13 175.1448 0.16 . 1 . 9891 . . 114 THR C . 25184 1 379 . 1 1 114 114 THR CA C 13 62.0727 0.16 . 1 . 9108 . . 114 THR CA . 25184 1 380 . 1 1 114 114 THR CB C 13 69.6111 0.16 . 1 . 9033 . . 114 THR CB . 25184 1 381 . 1 1 114 114 THR N N 15 115.0361 0.03 . 1 . 9034 . . 114 THR N . 25184 1 382 . 1 1 115 115 GLY H H 1 8.2990 0.001 . 1 . 9782 . . 115 GLY H . 25184 1 383 . 1 1 115 115 GLY C C 13 173.8492 0.16 . 1 . 13328 . . 115 GLY C . 25184 1 384 . 1 1 115 115 GLY CA C 13 45.4223 0.16 . 1 . 13327 . . 115 GLY CA . 25184 1 385 . 1 1 115 115 GLY N N 15 110.7924 0.03 . 1 . 9784 . . 115 GLY N . 25184 1 386 . 1 1 116 116 ASN C C 13 175.0492 0.16 . 1 . 11091 . . 116 ASN C . 25184 1 387 . 1 1 116 116 ASN CA C 13 52.9060 0.16 . 1 . 11901 . . 116 ASN CA . 25184 1 388 . 1 1 116 116 ASN CB C 13 38.7700 0.16 . 1 . 11898 . . 116 ASN CB . 25184 1 389 . 1 1 117 117 ALA H H 1 8.3230 0.001 . 1 . 8897 . . 117 ALA H . 25184 1 390 . 1 1 117 117 ALA C C 13 177.4963 0.16 . 1 . 9606 . . 117 ALA C . 25184 1 391 . 1 1 117 117 ALA CA C 13 52.9868 0.16 . 1 . 11904 . . 117 ALA CA . 25184 1 392 . 1 1 117 117 ALA CB C 13 19.0948 0.16 . 1 . 11907 . . 117 ALA CB . 25184 1 393 . 1 1 117 117 ALA N N 15 124.3787 0.03 . 1 . 8899 . . 117 ALA N . 25184 1 394 . 1 1 118 118 ASN H H 1 8.4098 0.001 . 1 . 8855 . . 118 ASN H . 25184 1 395 . 1 1 118 118 ASN C C 13 175.5821 0.16 . 1 . 9663 . . 118 ASN C . 25184 1 396 . 1 1 118 118 ASN CA C 13 53.3141 0.16 . 1 . 8808 . . 118 ASN CA . 25184 1 397 . 1 1 118 118 ASN CB C 13 38.6430 0.16 . 1 . 9462 . . 118 ASN CB . 25184 1 398 . 1 1 118 118 ASN N N 15 117.6888 0.03 . 1 . 8857 . . 118 ASN N . 25184 1 399 . 1 1 119 119 THR H H 1 8.0443 0.001 . 1 . 11351 . . 119 THR H . 25184 1 400 . 1 1 119 119 THR C C 13 174.5960 0.16 . 1 . 13270 . . 119 THR C . 25184 1 401 . 1 1 119 119 THR CA C 13 61.9621 0.16 . 1 . 13264 . . 119 THR CA . 25184 1 402 . 1 1 119 119 THR CB C 13 69.7020 0.16 . 1 . 13267 . . 119 THR CB . 25184 1 403 . 1 1 119 119 THR N N 15 113.6825 0.03 . 1 . 11353 . . 119 THR N . 25184 1 404 . 1 1 120 120 SER H H 1 8.0919 0.001 . 1 . 9074 . . 120 SER H . 25184 1 405 . 1 1 120 120 SER C C 13 174.1312 0.16 . 1 . 14302 . . 120 SER C . 25184 1 406 . 1 1 120 120 SER CA C 13 58.3182 0.16 . 1 . 12952 . . 120 SER CA . 25184 1 407 . 1 1 120 120 SER CB C 13 63.7764 0.16 . 1 . 9075 . . 120 SER CB . 25184 1 408 . 1 1 120 120 SER N N 15 117.2981 0.03 . 1 . 9076 . . 120 SER N . 25184 1 409 . 1 1 121 121 ASN H H 1 8.3766 0.001 . 1 . 14162 . . 121 ASN H . 25184 1 410 . 1 1 121 121 ASN C C 13 173.3589 0.16 . 1 . 14281 . . 121 ASN C . 25184 1 411 . 1 1 121 121 ASN CB C 13 38.8969 0.16 . 1 . 14449 . . 121 ASN CB . 25184 1 412 . 1 1 121 121 ASN N N 15 121.0315 0.03 . 1 . 14164 . . 121 ASN N . 25184 1 stop_ save_