data_25185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25185 _Entry.Title ; Backbone chemical shift assignment of FG-NUP (48-172) in buffer 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 . . . 25185 2 David Cowburn . . . 25185 3 Michael Rout . . . 25185 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' . 25185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 25185 '15N chemical shifts' 120 25185 '1H chemical shifts' 120 25185 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 . 25185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25182 FSFG-K 25185 BMRB 25183 FSFG-K-6His 25185 BMRB 25184 FG-N 25185 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25185 _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 . . . 25185 1 2 Kaushik Dutta . . . 25185 1 3 Sam Sparks . . . 25185 1 4 Deniz Temel . B. . 25185 1 5 Alia Kamal . . . 25185 1 6 Jaclyn Tetenbaum-Novatt . . . 25185 1 7 Michael Rout . . . 25185 1 8 David Cowburn . . . 25185 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In cell NMR' 25185 1 'Nuclear Pore Complexes' 25185 1 'Transport factor' 25185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25185 _Assembly.ID 1 _Assembly.Name FG-N-6His _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 . . . 25185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FG-N-6His _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 NNLFGATASHMHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'first three residues are from the tag (MGT); SHMHHHHHH is also from the tag. Actual sequence starts from S48 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 137 _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 25184 . FG-N . . . . . 93.43 128 100.00 100.00 1.56e-69 . . . . 25185 1 2 no DBJ GAA24320 . "K7_Nsp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.24 804 100.00 100.00 2.42e-65 . . . . 25185 1 3 no EMBL CAA89332 . "NSP1 [Saccharomyces cerevisiae]" . . . . . 91.24 823 100.00 100.00 3.17e-65 . . . . 25185 1 4 no EMBL CAY80739 . "Nsp1p [Saccharomyces cerevisiae EC1118]" . . . . . 91.24 709 99.20 99.20 1.89e-64 . . . . 25185 1 5 no GB AAA34821 . "nucleoskeletal-like protein [Saccharomyces cerevisiae]" . . . . . 91.24 823 100.00 100.00 3.17e-65 . . . . 25185 1 6 no GB AHY78965 . "Nsp1p [Saccharomyces cerevisiae YJM993]" . . . . . 91.24 823 100.00 100.00 2.84e-65 . . . . 25185 1 7 no GB AJP39666 . "Nsp1p [Saccharomyces cerevisiae YJM1078]" . . . . . 91.24 823 100.00 100.00 2.84e-65 . . . . 25185 1 8 no GB AJR53935 . "Nsp1p [Saccharomyces cerevisiae YJM681]" . . . . . 91.24 804 100.00 100.00 2.55e-65 . . . . 25185 1 9 no GB AJR54261 . "Nsp1p [Saccharomyces cerevisiae YJM682]" . . . . . 91.24 804 100.00 100.00 3.05e-65 . . . . 25185 1 10 no REF NP_012494 . "FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" . . . . . 91.24 823 100.00 100.00 3.17e-65 . . . . 25185 1 11 no SP P14907 . "RecName: Full=Nucleoporin NSP1; AltName: Full=Nuclear pore protein NSP1; AltName: Full=Nucleoskeletal-like protein; AltName: Fu" . . . . . 91.24 823 100.00 100.00 3.17e-65 . . . . 25185 1 12 no TPG DAA08759 . "TPA: FG-nucleoporin NSP1 [Saccharomyces cerevisiae S288c]" . . . . . 91.24 823 100.00 100.00 3.17e-65 . . . . 25185 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transport Factor' 25185 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 . 25185 1 2 . GLY . 25185 1 3 . THR . 25185 1 4 48 SER . 25185 1 5 49 ALA . 25185 1 6 50 PRO . 25185 1 7 51 ASN . 25185 1 8 52 ASN . 25185 1 9 53 THR . 25185 1 10 54 ASN . 25185 1 11 55 ASN . 25185 1 12 56 ALA . 25185 1 13 57 ASN . 25185 1 14 58 SER . 25185 1 15 59 SER . 25185 1 16 60 ILE . 25185 1 17 61 THR . 25185 1 18 62 PRO . 25185 1 19 63 ALA . 25185 1 20 64 PHE . 25185 1 21 65 GLY . 25185 1 22 66 SER . 25185 1 23 67 ASN . 25185 1 24 68 ASN . 25185 1 25 69 THR . 25185 1 26 70 GLY . 25185 1 27 71 ASN . 25185 1 28 72 THR . 25185 1 29 73 ALA . 25185 1 30 74 PHE . 25185 1 31 75 GLY . 25185 1 32 76 ASN . 25185 1 33 77 SER . 25185 1 34 78 ASN . 25185 1 35 79 PRO . 25185 1 36 80 THR . 25185 1 37 81 SER . 25185 1 38 82 ASN . 25185 1 39 83 VAL . 25185 1 40 84 PHE . 25185 1 41 85 GLY . 25185 1 42 86 SER . 25185 1 43 87 ASN . 25185 1 44 88 ASN . 25185 1 45 89 SER . 25185 1 46 90 THR . 25185 1 47 91 THR . 25185 1 48 92 ASN . 25185 1 49 93 THR . 25185 1 50 94 PHE . 25185 1 51 95 GLY . 25185 1 52 96 SER . 25185 1 53 97 ASN . 25185 1 54 98 SER . 25185 1 55 99 ALA . 25185 1 56 100 GLY . 25185 1 57 101 THR . 25185 1 58 102 SER . 25185 1 59 103 LEU . 25185 1 60 104 PHE . 25185 1 61 105 GLY . 25185 1 62 106 SER . 25185 1 63 107 SER . 25185 1 64 108 SER . 25185 1 65 109 ALA . 25185 1 66 110 GLN . 25185 1 67 111 GLN . 25185 1 68 112 THR . 25185 1 69 113 LYS . 25185 1 70 114 SER . 25185 1 71 115 ASN . 25185 1 72 116 GLY . 25185 1 73 117 THR . 25185 1 74 118 ALA . 25185 1 75 119 GLY . 25185 1 76 120 GLY . 25185 1 77 121 ASN . 25185 1 78 122 THR . 25185 1 79 123 PHE . 25185 1 80 124 GLY . 25185 1 81 125 SER . 25185 1 82 126 SER . 25185 1 83 127 SER . 25185 1 84 128 LEU . 25185 1 85 129 PHE . 25185 1 86 130 ASN . 25185 1 87 131 ASN . 25185 1 88 132 SER . 25185 1 89 133 THR . 25185 1 90 134 ASN . 25185 1 91 135 SER . 25185 1 92 136 ASN . 25185 1 93 137 THR . 25185 1 94 138 THR . 25185 1 95 139 LYS . 25185 1 96 140 PRO . 25185 1 97 141 ALA . 25185 1 98 142 PHE . 25185 1 99 143 GLY . 25185 1 100 144 GLY . 25185 1 101 145 LEU . 25185 1 102 146 ASN . 25185 1 103 147 PHE . 25185 1 104 148 GLY . 25185 1 105 149 GLY . 25185 1 106 150 GLY . 25185 1 107 151 ASN . 25185 1 108 152 ASN . 25185 1 109 153 THR . 25185 1 110 154 THR . 25185 1 111 155 PRO . 25185 1 112 156 SER . 25185 1 113 157 SER . 25185 1 114 158 THR . 25185 1 115 159 GLY . 25185 1 116 160 ASN . 25185 1 117 161 ALA . 25185 1 118 162 ASN . 25185 1 119 163 THR . 25185 1 120 164 SER . 25185 1 121 165 ASN . 25185 1 122 166 ASN . 25185 1 123 167 LEU . 25185 1 124 168 PHE . 25185 1 125 169 GLY . 25185 1 126 170 ALA . 25185 1 127 171 THR . 25185 1 128 172 ALA . 25185 1 129 . SER . 25185 1 130 . HIS . 25185 1 131 . MET . 25185 1 132 . HIS . 25185 1 133 . HIS . 25185 1 134 . HIS . 25185 1 135 . HIS . 25185 1 136 . HIS . 25185 1 137 . HIS . 25185 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 25185 1 . GLY 2 2 25185 1 . THR 3 3 25185 1 . SER 4 4 25185 1 . ALA 5 5 25185 1 . PRO 6 6 25185 1 . ASN 7 7 25185 1 . ASN 8 8 25185 1 . THR 9 9 25185 1 . ASN 10 10 25185 1 . ASN 11 11 25185 1 . ALA 12 12 25185 1 . ASN 13 13 25185 1 . SER 14 14 25185 1 . SER 15 15 25185 1 . ILE 16 16 25185 1 . THR 17 17 25185 1 . PRO 18 18 25185 1 . ALA 19 19 25185 1 . PHE 20 20 25185 1 . GLY 21 21 25185 1 . SER 22 22 25185 1 . ASN 23 23 25185 1 . ASN 24 24 25185 1 . THR 25 25 25185 1 . GLY 26 26 25185 1 . ASN 27 27 25185 1 . THR 28 28 25185 1 . ALA 29 29 25185 1 . PHE 30 30 25185 1 . GLY 31 31 25185 1 . ASN 32 32 25185 1 . SER 33 33 25185 1 . ASN 34 34 25185 1 . PRO 35 35 25185 1 . THR 36 36 25185 1 . SER 37 37 25185 1 . ASN 38 38 25185 1 . VAL 39 39 25185 1 . PHE 40 40 25185 1 . GLY 41 41 25185 1 . SER 42 42 25185 1 . ASN 43 43 25185 1 . ASN 44 44 25185 1 . SER 45 45 25185 1 . THR 46 46 25185 1 . THR 47 47 25185 1 . ASN 48 48 25185 1 . THR 49 49 25185 1 . PHE 50 50 25185 1 . GLY 51 51 25185 1 . SER 52 52 25185 1 . ASN 53 53 25185 1 . SER 54 54 25185 1 . ALA 55 55 25185 1 . GLY 56 56 25185 1 . THR 57 57 25185 1 . SER 58 58 25185 1 . LEU 59 59 25185 1 . PHE 60 60 25185 1 . GLY 61 61 25185 1 . SER 62 62 25185 1 . SER 63 63 25185 1 . SER 64 64 25185 1 . ALA 65 65 25185 1 . GLN 66 66 25185 1 . GLN 67 67 25185 1 . THR 68 68 25185 1 . LYS 69 69 25185 1 . SER 70 70 25185 1 . ASN 71 71 25185 1 . GLY 72 72 25185 1 . THR 73 73 25185 1 . ALA 74 74 25185 1 . GLY 75 75 25185 1 . GLY 76 76 25185 1 . ASN 77 77 25185 1 . THR 78 78 25185 1 . PHE 79 79 25185 1 . GLY 80 80 25185 1 . SER 81 81 25185 1 . SER 82 82 25185 1 . SER 83 83 25185 1 . LEU 84 84 25185 1 . PHE 85 85 25185 1 . ASN 86 86 25185 1 . ASN 87 87 25185 1 . SER 88 88 25185 1 . THR 89 89 25185 1 . ASN 90 90 25185 1 . SER 91 91 25185 1 . ASN 92 92 25185 1 . THR 93 93 25185 1 . THR 94 94 25185 1 . LYS 95 95 25185 1 . PRO 96 96 25185 1 . ALA 97 97 25185 1 . PHE 98 98 25185 1 . GLY 99 99 25185 1 . GLY 100 100 25185 1 . LEU 101 101 25185 1 . ASN 102 102 25185 1 . PHE 103 103 25185 1 . GLY 104 104 25185 1 . GLY 105 105 25185 1 . GLY 106 106 25185 1 . ASN 107 107 25185 1 . ASN 108 108 25185 1 . THR 109 109 25185 1 . THR 110 110 25185 1 . PRO 111 111 25185 1 . SER 112 112 25185 1 . SER 113 113 25185 1 . THR 114 114 25185 1 . GLY 115 115 25185 1 . ASN 116 116 25185 1 . ALA 117 117 25185 1 . ASN 118 118 25185 1 . THR 119 119 25185 1 . SER 120 120 25185 1 . ASN 121 121 25185 1 . ASN 122 122 25185 1 . LEU 123 123 25185 1 . PHE 124 124 25185 1 . GLY 125 125 25185 1 . ALA 126 126 25185 1 . THR 127 127 25185 1 . ALA 128 128 25185 1 . SER 129 129 25185 1 . HIS 130 130 25185 1 . MET 131 131 25185 1 . HIS 132 132 25185 1 . HIS 133 133 25185 1 . HIS 134 134 25185 1 . HIS 135 135 25185 1 . HIS 136 136 25185 1 . HIS 137 137 25185 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 25185 _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 . . . . . . . . . . . . . 25185 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 25185 _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' . . . . . pET24a . . . 25185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR assignment done in buffer: 20mM HEPES, 150mM KCl, 2mM MgCl2; 100mM BSA; pH 6.5 ; _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-6His '[U-100% 15N]' . . 1 $entity . . 250 . . uM . . . . 25185 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25185 1 3 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 25185 1 4 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25185 1 5 BSA 'natural abundance' . . . . . . 100 . . mM . . . . 25185 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25185 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25185 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25185 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR assignment done in buffer: 20mM HEPES, 150mM KCl, 2mM MgCl2; 100mM BSA; pH 6.5 ; _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-6His '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 250 . . uM . . . . 25185 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25185 2 3 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 25185 2 4 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25185 2 5 BSA 'natural abundance' . . . . . . 100 . . mM . . . . 25185 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25185 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25185 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 25185 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM HEPES, 150mM KCl, 2mM MgCl2; 100mM BSA; pH 6.5' 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 25185 1 pH 6.5 . pH 25185 1 pressure 1 . atm 25185 1 temperature 298 . K 25185 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25185 _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' . . 25185 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25185 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 25185 _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 25185 _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 25185 _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 25185 _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 . . . 25185 1 2 spectrometer_2 Bruker Avance . 800 . . . 25185 1 3 spectrometer_3 Bruker Avance . 900 . . . 25185 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 25185 _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 . . . . . . . . . . . . . . . . 25185 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25185 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 25185 _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 . . . . . . . . . 25185 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . . . . . 25185 1 N 15 water protons . . . . ppm . internal indirect 0.101329118 . . . . . . . . . 25185 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 25185 _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' . . . 25185 1 2 '3D HNCO' . . . 25185 1 3 '3D CBCA(CO)NH' . . . 25185 1 4 '3D HNCA' . . . 25185 1 5 '3D HNCACB' . . . 25185 1 7 '3D HN(CA)CO' . . . 25185 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 . . 25185 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 3 3 THR C C 13 174.5372 0.16 . 1 . 19273 . . 48 THR C . 25185 1 2 . 1 1 3 3 THR CA C 13 62.2300 0.16 . 1 . 18550 . . 48 THR CA . 25185 1 3 . 1 1 3 3 THR CB C 13 69.7915 0.16 . 1 . 18547 . . 48 THR CB . 25185 1 4 . 1 1 4 4 SER H H 1 8.4157 0.001 . 1 . 16113 . . 49 SER H . 25185 1 5 . 1 1 4 4 SER C C 13 173.6201 0.16 . 1 . . . . 49 SER C . 25185 1 6 . 1 1 4 4 SER CA C 13 58.1610 0.16 . 1 . 17647 . . 49 SER CA . 25185 1 7 . 1 1 4 4 SER CB C 13 64.0510 0.16 . 1 . 15304 . . 49 SER CB . 25185 1 8 . 1 1 4 4 SER N N 15 118.6842 0.03 . 1 . 16115 . . 49 SER N . 25185 1 9 . 1 1 5 5 ALA H H 1 8.3525 0.001 . 1 . 14676 . . 50 ALA H . 25185 1 10 . 1 1 5 5 ALA C C 13 175.5146 0.16 . 1 . 16726 . . 50 ALA C . 25185 1 11 . 1 1 5 5 ALA CA C 13 50.6344 0.16 . 1 . 14680 . . 50 ALA CA . 25185 1 12 . 1 1 5 5 ALA CB C 13 18.2023 0.16 . 1 . 15313 . . 50 ALA CB . 25185 1 13 . 1 1 5 5 ALA N N 15 127.2338 0.03 . 1 . 14678 . . 50 ALA N . 25185 1 14 . 1 1 6 6 PRO C C 13 176.6713 0.16 . 1 . . . . 51 PRO C . 25185 1 15 . 1 1 7 7 ASN H H 1 8.4786 0.001 . 1 . . . . 52 ASN H . 25185 1 16 . 1 1 7 7 ASN N N 15 118.5167 0.03 . 1 . . . . 52 ASN N . 25185 1 17 . 1 1 8 8 ASN H H 1 8.3894 0.001 . 1 . . . . 53 ASN H . 25185 1 18 . 1 1 8 8 ASN C C 13 175.5180 0.16 . 1 . 16951 . . 53 ASN C . 25185 1 19 . 1 1 8 8 ASN CA C 13 53.4580 0.16 . 1 . 30918 . . 53 ASN CA . 25185 1 20 . 1 1 8 8 ASN CB C 13 38.8584 0.16 . 1 . 15970 . . 53 ASN CB . 25185 1 21 . 1 1 8 8 ASN N N 15 119.4220 0.03 . 1 . . . . 53 ASN N . 25185 1 22 . 1 1 9 9 THR H H 1 8.1322 0.001 . 1 . 30623 . . 54 THR H . 25185 1 23 . 1 1 9 9 THR C C 13 174.4545 0.16 . 1 . 19204 . . 54 THR C . 25185 1 24 . 1 1 9 9 THR CA C 13 62.1961 0.16 . 1 . 17770 . . 54 THR CA . 25185 1 25 . 1 1 9 9 THR CB C 13 69.7700 0.16 . 1 . 35533 . . 54 THR CB . 25185 1 26 . 1 1 9 9 THR N N 15 113.9070 0.03 . 1 . 30625 . . 54 THR N . 25185 1 27 . 1 1 10 10 ASN H H 1 8.4321 0.001 . 1 . 14889 . . 55 ASN H . 25185 1 28 . 1 1 10 10 ASN C C 13 174.9453 0.16 . 1 . 19240 . . 55 ASN C . 25185 1 29 . 1 1 10 10 ASN CA C 13 53.2844 0.16 . 1 . 17806 . . 55 ASN CA . 25185 1 30 . 1 1 10 10 ASN CB C 13 38.9066 0.16 . 1 . 15805 . . 55 ASN CB . 25185 1 31 . 1 1 10 10 ASN N N 15 120.6973 0.03 . 1 . 14891 . . 55 ASN N . 25185 1 32 . 1 1 11 11 ASN H H 1 8.3416 0.001 . 1 . 14940 . . 56 ASN H . 25185 1 33 . 1 1 11 11 ASN C C 13 175.1220 0.16 . 1 . 16942 . . 56 ASN C . 25185 1 34 . 1 1 11 11 ASN CA C 13 53.3132 0.16 . 1 . 17704 . . 56 ASN CA . 25185 1 35 . 1 1 11 11 ASN CB C 13 38.9020 0.16 . 1 . 15478 . . 56 ASN CB . 25185 1 36 . 1 1 11 11 ASN N N 15 119.3812 0.03 . 1 . 14942 . . 56 ASN N . 25185 1 37 . 1 1 12 12 ALA H H 1 8.2588 0.001 . 1 . 14769 . . 57 ALA H . 25185 1 38 . 1 1 12 12 ALA C C 13 177.6499 0.16 . 1 . 17050 . . 57 ALA C . 25185 1 39 . 1 1 12 12 ALA CA C 13 53.3121 0.16 . 1 . 14770 . . 57 ALA CA . 25185 1 40 . 1 1 12 12 ALA CB C 13 19.1046 0.16 . 1 . 20630 . . 57 ALA CB . 25185 1 41 . 1 1 12 12 ALA N N 15 124.1301 0.03 . 1 . 14771 . . 57 ALA N . 25185 1 42 . 1 1 13 13 ASN H H 1 8.3438 0.001 . 1 . 16239 . . 58 ASN H . 25185 1 43 . 1 1 13 13 ASN C C 13 175.3906 0.16 . 1 . 17053 . . 58 ASN C . 25185 1 44 . 1 1 13 13 ASN CA C 13 53.3473 0.16 . 1 . 17911 . . 58 ASN CA . 25185 1 45 . 1 1 13 13 ASN CB C 13 38.8813 0.16 . 1 . 16228 . . 58 ASN CB . 25185 1 46 . 1 1 13 13 ASN N N 15 117.3093 0.03 . 1 . 16241 . . 58 ASN N . 25185 1 47 . 1 1 14 14 SER H H 1 8.1714 0.001 . 1 . 15093 . . 59 SER H . 25185 1 48 . 1 1 14 14 SER C C 13 174.5414 0.16 . 1 . 19291 . . 59 SER C . 25185 1 49 . 1 1 14 14 SER CA C 13 58.6142 0.16 . 1 . 17875 . . 59 SER CA . 25185 1 50 . 1 1 14 14 SER CB C 13 63.9352 0.16 . 1 . 28182 . . 59 SER CB . 25185 1 51 . 1 1 14 14 SER N N 15 115.9816 0.03 . 1 . 15095 . . 59 SER N . 25185 1 52 . 1 1 15 15 SER H H 1 8.3053 0.001 . 1 . 18636 . . 60 SER H . 25185 1 53 . 1 1 15 15 SER C C 13 174.2467 0.16 . 1 . 17047 . . 60 SER C . 25185 1 54 . 1 1 15 15 SER CA C 13 58.4880 0.16 . 1 . 16192 . . 60 SER CA . 25185 1 55 . 1 1 15 15 SER CB C 13 63.8918 0.16 . 1 . 16189 . . 60 SER CB . 25185 1 56 . 1 1 15 15 SER N N 15 117.6977 0.03 . 1 . 18638 . . 60 SER N . 25185 1 57 . 1 1 16 16 ILE H H 1 8.0377 0.001 . 1 . 14829 . . 61 ILE H . 25185 1 58 . 1 1 16 16 ILE C C 13 176.1492 0.16 . 1 . 19177 . . 61 ILE C . 25185 1 59 . 1 1 16 16 ILE CA C 13 61.1939 0.16 . 1 . 18295 . . 61 ILE CA . 25185 1 60 . 1 1 16 16 ILE CB C 13 38.8584 0.16 . 1 . 21141 . . 61 ILE CB . 25185 1 61 . 1 1 16 16 ILE N N 15 121.8925 0.03 . 1 . 14831 . . 61 ILE N . 25185 1 62 . 1 1 17 17 THR H H 1 8.2180 0.001 . 1 . 14853 . . 62 THR H . 25185 1 63 . 1 1 17 17 THR C C 13 172.6231 0.16 . 1 . 16870 . . 62 THR C . 25185 1 64 . 1 1 17 17 THR CA C 13 59.8545 0.16 . 1 . 14857 . . 62 THR CA . 25185 1 65 . 1 1 17 17 THR CB C 13 69.7866 0.16 . 1 . 15703 . . 62 THR CB . 25185 1 66 . 1 1 17 17 THR N N 15 121.2654 0.03 . 1 . 14855 . . 62 THR N . 25185 1 67 . 1 1 18 18 PRO C C 13 176.4085 0.16 . 1 . 16978 . . 63 PRO C . 25185 1 68 . 1 1 18 18 PRO CA C 13 63.2328 0.16 . 1 . 18139 . . 63 PRO CA . 25185 1 69 . 1 1 18 18 PRO CB C 13 32.1856 0.16 . 1 . 18142 . . 63 PRO CB . 25185 1 70 . 1 1 19 19 ALA H H 1 8.2818 0.001 . 1 . 15474 . . 64 ALA H . 25185 1 71 . 1 1 19 19 ALA C C 13 177.4700 0.16 . 1 . 34163 . . 64 ALA C . 25185 1 72 . 1 1 19 19 ALA CA C 13 52.3994 0.16 . 1 . 35718 . . 64 ALA CA . 25185 1 73 . 1 1 19 19 ALA CB C 13 19.3814 0.16 . 1 . 34161 . . 64 ALA CB . 25185 1 74 . 1 1 19 19 ALA N N 15 124.1994 0.03 . 1 . 15476 . . 64 ALA N . 25185 1 75 . 1 1 20 20 PHE H H 1 8.1520 0.001 . 1 . 35659 . . 65 PHE H . 25185 1 76 . 1 1 20 20 PHE C C 13 176.3711 0.16 . 1 . 33823 . . 65 PHE C . 25185 1 77 . 1 1 20 20 PHE CA C 13 57.7783 0.16 . 1 . 33789 . . 65 PHE CA . 25185 1 78 . 1 1 20 20 PHE CB C 13 39.6737 0.16 . 1 . 35766 . . 65 PHE CB . 25185 1 79 . 1 1 20 20 PHE N N 15 119.4277 0.03 . 1 . 35661 . . 65 PHE N . 25185 1 80 . 1 1 21 21 GLY H H 1 8.2796 0.001 . 1 . 33683 . . 66 GLY H . 25185 1 81 . 1 1 21 21 GLY C C 13 174.1124 0.16 . 1 . 17227 . . 66 GLY C . 25185 1 82 . 1 1 21 21 GLY CA C 13 45.3330 0.16 . 1 . 28754 . . 66 GLY CA . 25185 1 83 . 1 1 21 21 GLY N N 15 110.8914 0.03 . 1 . 33685 . . 66 GLY N . 25185 1 84 . 1 1 22 22 SER H H 1 8.1570 0.001 . 1 . 19338 . . 67 SER H . 25185 1 85 . 1 1 22 22 SER C C 13 174.3740 0.16 . 1 . 35645 . . 67 SER C . 25185 1 86 . 1 1 22 22 SER CA C 13 58.5149 0.16 . 1 . 18361 . . 67 SER CA . 25185 1 87 . 1 1 22 22 SER CB C 13 63.9758 0.16 . 1 . 16339 . . 67 SER CB . 25185 1 88 . 1 1 22 22 SER N N 15 115.3943 0.03 . 1 . 19340 . . 67 SER N . 25185 1 89 . 1 1 23 23 ASN H H 1 8.5076 0.001 . 1 . 15816 . . 68 ASN H . 25185 1 90 . 1 1 23 23 ASN C C 13 174.9374 0.16 . 1 . 19246 . . 68 ASN C . 25185 1 91 . 1 1 23 23 ASN CA C 13 53.2312 0.16 . 1 . 17812 . . 68 ASN CA . 25185 1 92 . 1 1 23 23 ASN CB C 13 38.8650 0.16 . 1 . 35646 . . 68 ASN CB . 25185 1 93 . 1 1 23 23 ASN N N 15 120.2157 0.03 . 1 . 15818 . . 68 ASN N . 25185 1 94 . 1 1 24 24 ASN H H 1 8.3894 0.001 . 1 . 19245 . . 69 ASN H . 25185 1 95 . 1 1 24 24 ASN C C 13 175.5101 0.16 . 1 . 17167 . . 69 ASN C . 25185 1 96 . 1 1 24 24 ASN CA C 13 53.3119 0.16 . 1 . 15160 . . 69 ASN CA . 25185 1 97 . 1 1 24 24 ASN CB C 13 38.8048 0.16 . 1 . 31144 . . 69 ASN CB . 25185 1 98 . 1 1 24 24 ASN N N 15 119.2030 0.03 . 1 . 19247 . . 69 ASN N . 25185 1 99 . 1 1 25 25 THR H H 1 8.1269 0.001 . 1 . 15165 . . 70 THR H . 25185 1 100 . 1 1 25 25 THR C C 13 175.2236 0.16 . 1 . 17209 . . 70 THR C . 25185 1 101 . 1 1 25 25 THR CA C 13 62.2000 0.16 . 1 . 18961 . . 70 THR CA . 25185 1 102 . 1 1 25 25 THR CB C 13 69.8442 0.16 . 1 . 31122 . . 70 THR CB . 25185 1 103 . 1 1 25 25 THR N N 15 113.5002 0.03 . 1 . 15167 . . 70 THR N . 25185 1 104 . 1 1 26 26 GLY H H 1 8.3977 0.001 . 1 . 15216 . . 71 GLY H . 25185 1 105 . 1 1 26 26 GLY C C 13 173.9035 0.16 . 1 . 35834 . . 71 GLY C . 25185 1 106 . 1 1 26 26 GLY CA C 13 45.4553 0.16 . 1 . 35840 . . 71 GLY CA . 25185 1 107 . 1 1 26 26 GLY N N 15 110.7391 0.03 . 1 . 15218 . . 71 GLY N . 25185 1 108 . 1 1 27 27 ASN H H 1 8.2738 0.001 . 1 . 35818 . . 72 ASN H . 25185 1 109 . 1 1 27 27 ASN C C 13 175.6405 0.16 . 1 . 17131 . . 72 ASN C . 25185 1 110 . 1 1 27 27 ASN CA C 13 53.2432 0.16 . 1 . 30446 . . 72 ASN CA . 25185 1 111 . 1 1 27 27 ASN CB C 13 39.0052 0.16 . 1 . 30410 . . 72 ASN CB . 25185 1 112 . 1 1 27 27 ASN N N 15 118.8166 0.03 . 1 . 35820 . . 72 ASN N . 25185 1 113 . 1 1 28 28 THR H H 1 8.1302 0.001 . 1 . 15141 . . 73 THR H . 25185 1 114 . 1 1 28 28 THR C C 13 174.3364 0.16 . 1 . 19603 . . 73 THR C . 25185 1 115 . 1 1 28 28 THR CA C 13 62.0237 0.16 . 1 . 19576 . . 73 THR CA . 25185 1 116 . 1 1 28 28 THR CB C 13 69.7883 0.16 . 1 . 30422 . . 73 THR CB . 25185 1 117 . 1 1 28 28 THR N N 15 114.3224 0.03 . 1 . 15143 . . 73 THR N . 25185 1 118 . 1 1 29 29 ALA H H 1 8.2099 0.001 . 1 . 19572 . . 74 ALA H . 25185 1 119 . 1 1 29 29 ALA C C 13 177.3975 0.16 . 1 . 19600 . . 74 ALA C . 25185 1 120 . 1 1 29 29 ALA CA C 13 52.7170 0.16 . 1 . 18469 . . 74 ALA CA . 25185 1 121 . 1 1 29 29 ALA CB C 13 18.9549 0.16 . 1 . 16042 . . 74 ALA CB . 25185 1 122 . 1 1 29 29 ALA N N 15 125.8626 0.03 . 1 . 19574 . . 74 ALA N . 25185 1 123 . 1 1 30 30 PHE H H 1 8.0790 0.001 . 1 . 19254 . . 75 PHE H . 25185 1 124 . 1 1 30 30 PHE C C 13 176.3711 0.16 . 1 . 19441 . . 75 PHE C . 25185 1 125 . 1 1 30 30 PHE CA C 13 57.7934 0.16 . 1 . 15241 . . 75 PHE CA . 25185 1 126 . 1 1 30 30 PHE CB C 13 39.4932 0.16 . 1 . 16039 . . 75 PHE CB . 25185 1 127 . 1 1 30 30 PHE N N 15 118.9850 0.03 . 1 . 19256 . . 75 PHE N . 25185 1 128 . 1 1 31 31 GLY H H 1 8.2138 0.001 . 1 . 19440 . . 76 GLY H . 25185 1 129 . 1 1 31 31 GLY C C 13 173.8517 0.16 . 1 . 19423 . . 76 GLY C . 25185 1 130 . 1 1 31 31 GLY CA C 13 45.4385 0.16 . 1 . 34159 . . 76 GLY CA . 25185 1 131 . 1 1 31 31 GLY N N 15 110.1787 0.03 . 1 . 19442 . . 76 GLY N . 25185 1 132 . 1 1 32 32 ASN H H 1 8.2371 0.001 . 1 . 19422 . . 77 ASN H . 25185 1 133 . 1 1 32 32 ASN C C 13 175.2409 0.16 . 1 . 16993 . . 77 ASN C . 25185 1 134 . 1 1 32 32 ASN CA C 13 53.3819 0.16 . 1 . 33219 . . 77 ASN CA . 25185 1 135 . 1 1 32 32 ASN CB C 13 38.9815 0.16 . 1 . 27574 . . 77 ASN CB . 25185 1 136 . 1 1 32 32 ASN N N 15 118.7962 0.03 . 1 . 19424 . . 77 ASN N . 25185 1 137 . 1 1 33 33 SER H H 1 8.2705 0.001 . 1 . 27555 . . 78 SER H . 25185 1 138 . 1 1 33 33 SER C C 13 173.8030 0.16 . 1 . 27933 . . 78 SER C . 25185 1 139 . 1 1 33 33 SER CA C 13 58.4092 0.16 . 1 . 27571 . . 78 SER CA . 25185 1 140 . 1 1 33 33 SER CB C 13 63.8772 0.16 . 1 . 27568 . . 78 SER CB . 25185 1 141 . 1 1 33 33 SER N N 15 116.0026 0.03 . 1 . 27557 . . 78 SER N . 25185 1 142 . 1 1 34 34 ASN H H 1 8.4109 0.001 . 1 . 22022 . . 79 ASN H . 25185 1 143 . 1 1 34 34 ASN C C 13 173.3246 0.16 . 1 . 22041 . . 79 ASN C . 25185 1 144 . 1 1 34 34 ASN CA C 13 51.5240 0.16 . 1 . 22029 . . 79 ASN CA . 25185 1 145 . 1 1 34 34 ASN CB C 13 38.8213 0.16 . 1 . 22035 . . 79 ASN CB . 25185 1 146 . 1 1 34 34 ASN N N 15 121.2035 0.03 . 1 . 22024 . . 79 ASN N . 25185 1 147 . 1 1 35 35 PRO C C 13 177.2825 0.16 . 1 . 19378 . . 80 PRO C . 25185 1 148 . 1 1 35 35 PRO CA C 13 63.7617 0.16 . 1 . 18922 . . 80 PRO CA . 25185 1 149 . 1 1 35 35 PRO CB C 13 32.2165 0.16 . 1 . 18928 . . 80 PRO CB . 25185 1 150 . 1 1 36 36 THR H H 1 8.1718 0.001 . 1 . 16473 . . 81 THR H . 25185 1 151 . 1 1 36 36 THR C C 13 174.6373 0.16 . 1 . 17056 . . 81 THR C . 25185 1 152 . 1 1 36 36 THR CA C 13 62.0262 0.16 . 1 . 15187 . . 81 THR CA . 25185 1 153 . 1 1 36 36 THR CB C 13 69.7080 0.16 . 1 . 27188 . . 81 THR CB . 25185 1 154 . 1 1 36 36 THR N N 15 113.1153 0.03 . 1 . 16475 . . 81 THR N . 25185 1 155 . 1 1 37 37 SER H H 1 8.1183 0.001 . 1 . 17895 . . 82 SER H . 25185 1 156 . 1 1 37 37 SER C C 13 174.1425 0.16 . 1 . 17059 . . 82 SER C . 25185 1 157 . 1 1 37 37 SER CA C 13 58.5087 0.16 . 1 . 22002 . . 82 SER CA . 25185 1 158 . 1 1 37 37 SER CB C 13 63.9396 0.16 . 1 . 16234 . . 82 SER CB . 25185 1 159 . 1 1 37 37 SER N N 15 117.2807 0.03 . 1 . 17897 . . 82 SER N . 25185 1 160 . 1 1 38 38 ASN H H 1 8.3938 0.001 . 1 . 21998 . . 83 ASN H . 25185 1 161 . 1 1 38 38 ASN C C 13 175.1066 0.16 . 1 . 22014 . . 83 ASN C . 25185 1 162 . 1 1 38 38 ASN CA C 13 53.4116 0.16 . 1 . 15895 . . 83 ASN CA . 25185 1 163 . 1 1 38 38 ASN CB C 13 38.7987 0.16 . 1 . 22082 . . 83 ASN CB . 25185 1 164 . 1 1 38 38 ASN N N 15 120.9560 0.03 . 1 . 22000 . . 83 ASN N . 25185 1 165 . 1 1 39 39 VAL H H 1 7.9369 0.001 . 1 . 19230 . . 84 VAL H . 25185 1 166 . 1 1 39 39 VAL C C 13 175.9387 0.16 . 1 . 19150 . . 84 VAL C . 25185 1 167 . 1 1 39 39 VAL CA C 13 62.5697 0.16 . 1 . 17722 . . 84 VAL CA . 25185 1 168 . 1 1 39 39 VAL CB C 13 32.5317 0.16 . 1 . 15901 . . 84 VAL CB . 25185 1 169 . 1 1 39 39 VAL N N 15 119.6721 0.03 . 1 . 19232 . . 84 VAL N . 25185 1 170 . 1 1 40 40 PHE H H 1 8.2649 0.001 . 1 . 14805 . . 85 PHE H . 25185 1 171 . 1 1 40 40 PHE C C 13 176.3146 0.16 . 1 . 19393 . . 85 PHE C . 25185 1 172 . 1 1 40 40 PHE CA C 13 57.9060 0.16 . 1 . 31663 . . 85 PHE CA . 25185 1 173 . 1 1 40 40 PHE CB C 13 39.4932 0.16 . 1 . 15574 . . 85 PHE CB . 25185 1 174 . 1 1 40 40 PHE N N 15 123.2775 0.03 . 1 . 14807 . . 85 PHE N . 25185 1 175 . 1 1 41 41 GLY H H 1 8.2055 0.001 . 1 . 15228 . . 86 GLY H . 25185 1 176 . 1 1 41 41 GLY C C 13 174.0791 0.16 . 1 . 35642 . . 86 GLY C . 25185 1 177 . 1 1 41 41 GLY CA C 13 45.3364 0.16 . 1 . 15226 . . 86 GLY CA . 25185 1 178 . 1 1 41 41 GLY N N 15 110.6807 0.03 . 1 . 15230 . . 86 GLY N . 25185 1 179 . 1 1 42 42 SER H H 1 8.1570 0.001 . 1 . . . . 87 SER H . 25185 1 180 . 1 1 42 42 SER C C 13 174.4093 0.16 . 1 . 35887 . . 87 SER C . 25185 1 181 . 1 1 42 42 SER CA C 13 58.5361 0.16 . 1 . 35941 . . 87 SER CA . 25185 1 182 . 1 1 42 42 SER CB C 13 64.1221 0.16 . 1 . 35914 . . 87 SER CB . 25185 1 183 . 1 1 42 42 SER N N 15 115.3943 0.03 . 1 . . . . 87 SER N . 25185 1 184 . 1 1 43 43 ASN H H 1 8.5094 0.001 . 1 . 35886 . . 88 ASN H . 25185 1 185 . 1 1 43 43 ASN C C 13 174.9411 0.16 . 1 . 19249 . . 88 ASN C . 25185 1 186 . 1 1 43 43 ASN CA C 13 53.4580 0.16 . 1 . 23736 . . 88 ASN CA . 25185 1 187 . 1 1 43 43 ASN CB C 13 38.8584 0.16 . 1 . 35987 . . 88 ASN CB . 25185 1 188 . 1 1 43 43 ASN N N 15 120.4064 0.03 . 1 . 35888 . . 88 ASN N . 25185 1 189 . 1 1 44 44 ASN H H 1 8.3575 0.001 . 1 . 16953 . . 89 ASN H . 25185 1 190 . 1 1 44 44 ASN C C 13 175.2327 0.16 . 1 . 36059 . . 89 ASN C . 25185 1 191 . 1 1 44 44 ASN CA C 13 53.4384 0.16 . 1 . 23796 . . 89 ASN CA . 25185 1 192 . 1 1 44 44 ASN CB C 13 38.6689 0.16 . 1 . 36058 . . 89 ASN CB . 25185 1 193 . 1 1 44 44 ASN N N 15 119.0944 0.03 . 1 . 16955 . . 89 ASN N . 25185 1 194 . 1 1 45 45 SER H H 1 8.2782 0.001 . 1 . . . . 90 SER H . 25185 1 195 . 1 1 45 45 SER C C 13 174.9302 0.16 . 1 . 19336 . . 90 SER C . 25185 1 196 . 1 1 45 45 SER CA C 13 58.6890 0.16 . 1 . 15118 . . 90 SER CA . 25185 1 197 . 1 1 45 45 SER CB C 13 63.9298 0.16 . 1 . 18841 . . 90 SER CB . 25185 1 198 . 1 1 45 45 SER N N 15 115.9750 0.03 . 1 . . . . 90 SER N . 25185 1 199 . 1 1 46 46 THR H H 1 8.2335 0.001 . 1 . 18837 . . 91 THR H . 25185 1 200 . 1 1 46 46 THR C C 13 174.8285 0.16 . 1 . 19327 . . 91 THR C . 25185 1 201 . 1 1 46 46 THR CA C 13 62.0116 0.16 . 1 . 31021 . . 91 THR CA . 25185 1 202 . 1 1 46 46 THR CB C 13 69.8238 0.16 . 1 . 16351 . . 91 THR CB . 25185 1 203 . 1 1 46 46 THR N N 15 115.3703 0.03 . 1 . 18839 . . 91 THR N . 25185 1 204 . 1 1 47 47 THR H H 1 8.0848 0.001 . 1 . 18789 . . 92 THR H . 25185 1 205 . 1 1 47 47 THR C C 13 174.2232 0.16 . 1 . 17098 . . 92 THR C . 25185 1 206 . 1 1 47 47 THR CA C 13 61.9853 0.16 . 1 . 17740 . . 92 THR CA . 25185 1 207 . 1 1 47 47 THR CB C 13 69.8740 0.16 . 1 . 16306 . . 92 THR CB . 25185 1 208 . 1 1 47 47 THR N N 15 115.7160 0.03 . 1 . 18791 . . 92 THR N . 25185 1 209 . 1 1 48 48 ASN H H 1 8.3891 0.001 . 1 . 19179 . . 93 ASN H . 25185 1 210 . 1 1 48 48 ASN C C 13 175.2751 0.16 . 1 . 16852 . . 93 ASN C . 25185 1 211 . 1 1 48 48 ASN CA C 13 53.4400 0.16 . 1 . 21201 . . 93 ASN CA . 25185 1 212 . 1 1 48 48 ASN CB C 13 38.9721 0.16 . 1 . 18883 . . 93 ASN CB . 25185 1 213 . 1 1 48 48 ASN N N 15 121.3011 0.03 . 1 . 19181 . . 93 ASN N . 25185 1 214 . 1 1 49 49 THR H H 1 8.0378 0.001 . 1 . 19353 . . 94 THR H . 25185 1 215 . 1 1 49 49 THR C C 13 174.4327 0.16 . 1 . 16834 . . 94 THR C . 25185 1 216 . 1 1 49 49 THR CA C 13 61.9738 0.16 . 1 . 14815 . . 94 THR CA . 25185 1 217 . 1 1 49 49 THR CB C 13 69.6125 0.16 . 1 . 16390 . . 94 THR CB . 25185 1 218 . 1 1 49 49 THR N N 15 114.2085 0.03 . 1 . 19355 . . 94 THR N . 25185 1 219 . 1 1 50 50 PHE H H 1 8.2398 0.001 . 1 . 15633 . . 95 PHE H . 25185 1 220 . 1 1 50 50 PHE C C 13 176.3186 0.16 . 1 . 16831 . . 95 PHE C . 25185 1 221 . 1 1 50 50 PHE CA C 13 58.0660 0.16 . 1 . 15622 . . 95 PHE CA . 25185 1 222 . 1 1 50 50 PHE CB C 13 39.3338 0.16 . 1 . 15631 . . 95 PHE CB . 25185 1 223 . 1 1 50 50 PHE N N 15 122.1413 0.03 . 1 . 15635 . . 95 PHE N . 25185 1 224 . 1 1 51 51 GLY H H 1 8.2718 0.001 . 1 . 15237 . . 96 GLY H . 25185 1 225 . 1 1 51 51 GLY C C 13 174.2087 0.16 . 1 . 35528 . . 96 GLY C . 25185 1 226 . 1 1 51 51 GLY CA C 13 45.3584 0.16 . 1 . 15232 . . 96 GLY CA . 25185 1 227 . 1 1 51 51 GLY N N 15 110.5387 0.03 . 1 . 15239 . . 96 GLY N . 25185 1 228 . 1 1 52 52 SER H H 1 8.1753 0.001 . 1 . . . . 97 SER H . 25185 1 229 . 1 1 52 52 SER C C 13 174.4916 0.16 . 1 . 29176 . . 97 SER C . 25185 1 230 . 1 1 52 52 SER CA C 13 58.5361 0.16 . 1 . 22242 . . 97 SER CA . 25185 1 231 . 1 1 52 52 SER CB C 13 63.9951 0.16 . 1 . 29397 . . 97 SER CB . 25185 1 232 . 1 1 52 52 SER N N 15 115.5884 0.03 . 1 . . . . 97 SER N . 25185 1 233 . 1 1 53 53 ASN H H 1 8.5134 0.001 . 1 . 16887 . . 98 ASN H . 25185 1 234 . 1 1 53 53 ASN C C 13 175.4203 0.16 . 1 . 27589 . . 98 ASN C . 25185 1 235 . 1 1 53 53 ASN CA C 13 53.2959 0.16 . 1 . 27772 . . 98 ASN CA . 25185 1 236 . 1 1 53 53 ASN CB C 13 39.1123 0.16 . 1 . 27729 . . 98 ASN CB . 25185 1 237 . 1 1 53 53 ASN N N 15 120.6892 0.03 . 1 . 16889 . . 98 ASN N . 25185 1 238 . 1 1 54 54 SER H H 1 8.2632 0.001 . 1 . 27588 . . 99 SER H . 25185 1 239 . 1 1 54 54 SER C C 13 174.4279 0.16 . 1 . 27598 . . 99 SER C . 25185 1 240 . 1 1 54 54 SER CA C 13 58.7026 0.16 . 1 . 15364 . . 99 SER CA . 25185 1 241 . 1 1 54 54 SER CB C 13 63.8650 0.16 . 1 . 18085 . . 99 SER CB . 25185 1 242 . 1 1 54 54 SER N N 15 116.1946 0.03 . 1 . 27590 . . 99 SER N . 25185 1 243 . 1 1 55 55 ALA H H 1 8.2967 0.001 . 1 . 15354 . . 100 ALA H . 25185 1 244 . 1 1 55 55 ALA C C 13 178.2428 0.16 . 1 . 17284 . . 100 ALA C . 25185 1 245 . 1 1 55 55 ALA CA C 13 52.9087 0.16 . 1 . 15298 . . 100 ALA CA . 25185 1 246 . 1 1 55 55 ALA CB C 13 19.0887 0.16 . 1 . 15370 . . 100 ALA CB . 25185 1 247 . 1 1 55 55 ALA N N 15 125.6324 0.03 . 1 . 15356 . . 100 ALA N . 25185 1 248 . 1 1 56 56 GLY H H 1 8.2746 0.001 . 1 . 15294 . . 101 GLY H . 25185 1 249 . 1 1 56 56 GLY C C 13 174.4464 0.16 . 1 . 17287 . . 101 GLY C . 25185 1 250 . 1 1 56 56 GLY CA C 13 45.4982 0.16 . 1 . 15181 . . 101 GLY CA . 25185 1 251 . 1 1 56 56 GLY N N 15 107.7415 0.03 . 1 . 15296 . . 101 GLY N . 25185 1 252 . 1 1 57 57 THR H H 1 7.9703 0.001 . 1 . 19374 . . 102 THR H . 25185 1 253 . 1 1 57 57 THR C C 13 174.6957 0.16 . 1 . 17179 . . 102 THR C . 25185 1 254 . 1 1 57 57 THR CA C 13 61.8445 0.16 . 1 . 15178 . . 102 THR CA . 25185 1 255 . 1 1 57 57 THR CB C 13 69.8579 0.16 . 1 . 16444 . . 102 THR CB . 25185 1 256 . 1 1 57 57 THR N N 15 113.2092 0.03 . 1 . 19376 . . 102 THR N . 25185 1 257 . 1 1 58 58 SER H H 1 8.3083 0.001 . 1 . 16161 . . 103 SER H . 25185 1 258 . 1 1 58 58 SER C C 13 174.4900 0.16 . 1 . 19135 . . 103 SER C . 25185 1 259 . 1 1 58 58 SER CA C 13 58.5128 0.16 . 1 . 18166 . . 103 SER CA . 25185 1 260 . 1 1 58 58 SER CB C 13 63.8242 0.16 . 1 . 15487 . . 103 SER CB . 25185 1 261 . 1 1 58 58 SER N N 15 118.0861 0.03 . 1 . 16163 . . 103 SER N . 25185 1 262 . 1 1 59 59 LEU H H 1 8.2036 0.001 . 1 . 18153 . . 104 LEU H . 25185 1 263 . 1 1 59 59 LEU C C 13 177.1479 0.16 . 1 . 22945 . . 104 LEU C . 25185 1 264 . 1 1 59 59 LEU CA C 13 55.4450 0.16 . 1 . 22971 . . 104 LEU CA . 25185 1 265 . 1 1 59 59 LEU CB C 13 42.2658 0.16 . 1 . 15505 . . 104 LEU CB . 25185 1 266 . 1 1 59 59 LEU N N 15 124.0363 0.03 . 1 . 18155 . . 104 LEU N . 25185 1 267 . 1 1 60 60 PHE H H 1 8.1422 0.001 . 1 . 22926 . . 105 PHE H . 25185 1 268 . 1 1 60 60 PHE C C 13 176.3422 0.16 . 1 . 22966 . . 105 PHE C . 25185 1 269 . 1 1 60 60 PHE CA C 13 57.7783 0.16 . 1 . 33900 . . 105 PHE CA . 25185 1 270 . 1 1 60 60 PHE CB C 13 39.4391 0.16 . 1 . 22936 . . 105 PHE CB . 25185 1 271 . 1 1 60 60 PHE N N 15 119.9275 0.03 . 1 . 22928 . . 105 PHE N . 25185 1 272 . 1 1 61 61 GLY H H 1 8.2229 0.001 . 1 . 16590 . . 106 GLY H . 25185 1 273 . 1 1 61 61 GLY C C 13 174.2065 0.16 . 1 . 29173 . . 106 GLY C . 25185 1 274 . 1 1 61 61 GLY CA C 13 45.3740 0.16 . 1 . 16564 . . 106 GLY CA . 25185 1 275 . 1 1 61 61 GLY N N 15 110.3805 0.03 . 1 . 16592 . . 106 GLY N . 25185 1 276 . 1 1 62 62 SER H H 1 8.1753 0.001 . 1 . 29154 . . 107 SER H . 25185 1 277 . 1 1 62 62 SER C C 13 174.8775 0.16 . 1 . 26639 . . 107 SER C . 25185 1 278 . 1 1 62 62 SER CA C 13 58.7068 0.16 . 1 . 18622 . . 107 SER CA . 25185 1 279 . 1 1 62 62 SER CB C 13 64.0022 0.16 . 1 . 35525 . . 107 SER CB . 25185 1 280 . 1 1 62 62 SER N N 15 115.5884 0.03 . 1 . 29156 . . 107 SER N . 25185 1 281 . 1 1 63 63 SER H H 1 8.3905 0.001 . 1 . 16176 . . 108 SER H . 25185 1 282 . 1 1 63 63 SER C C 13 174.8428 0.16 . 1 . 17032 . . 108 SER C . 25185 1 283 . 1 1 63 63 SER CA C 13 58.5212 0.16 . 1 . 15040 . . 108 SER CA . 25185 1 284 . 1 1 63 63 SER CB C 13 63.8493 0.16 . 1 . 16174 . . 108 SER CB . 25185 1 285 . 1 1 63 63 SER N N 15 117.7218 0.03 . 1 . 16178 . . 108 SER N . 25185 1 286 . 1 1 64 64 SER H H 1 8.3053 0.001 . 1 . . . . 109 SER H . 25185 1 287 . 1 1 64 64 SER C C 13 174.5508 0.16 . 1 . 19102 . . 109 SER C . 25185 1 288 . 1 1 64 64 SER CA C 13 58.7539 0.16 . 1 . 18097 . . 109 SER CA . 25185 1 289 . 1 1 64 64 SER CB C 13 63.8999 0.16 . 1 . 18094 . . 109 SER CB . 25185 1 290 . 1 1 64 64 SER N N 15 117.6977 0.03 . 1 . . . . 109 SER N . 25185 1 291 . 1 1 65 65 ALA H H 1 8.2224 0.001 . 1 . 18102 . . 110 ALA H . 25185 1 292 . 1 1 65 65 ALA C C 13 177.8570 0.16 . 1 . 17014 . . 110 ALA C . 25185 1 293 . 1 1 65 65 ALA CA C 13 52.9184 0.16 . 1 . 16099 . . 110 ALA CA . 25185 1 294 . 1 1 65 65 ALA CB C 13 19.1772 0.16 . 1 . 18538 . . 110 ALA CB . 25185 1 295 . 1 1 65 65 ALA N N 15 125.5490 0.03 . 1 . 18104 . . 110 ALA N . 25185 1 296 . 1 1 66 66 GLN H H 1 8.1883 0.001 . 1 . 18543 . . 111 GLN H . 25185 1 297 . 1 1 66 66 GLN C C 13 176.1585 0.16 . 1 . 17011 . . 111 GLN C . 25185 1 298 . 1 1 66 66 GLN CA C 13 56.0894 0.16 . 1 . 14860 . . 111 GLN CA . 25185 1 299 . 1 1 66 66 GLN CB C 13 29.4185 0.16 . 1 . 16105 . . 111 GLN CB . 25185 1 300 . 1 1 66 66 GLN N N 15 118.7309 0.03 . 1 . 18545 . . 111 GLN N . 25185 1 301 . 1 1 67 67 GLN H H 1 8.3078 0.001 . 1 . 18303 . . 112 GLN H . 25185 1 302 . 1 1 67 67 GLN C C 13 176.2358 0.16 . 1 . 29179 . . 112 GLN C . 25185 1 303 . 1 1 67 67 GLN CA C 13 56.2510 0.16 . 1 . 29458 . . 112 GLN CA . 25185 1 304 . 1 1 67 67 GLN CB C 13 29.3478 0.16 . 1 . 29188 . . 112 GLN CB . 25185 1 305 . 1 1 67 67 GLN N N 15 121.1986 0.03 . 1 . 18305 . . 112 GLN N . 25185 1 306 . 1 1 68 68 THR H H 1 8.1753 0.001 . 1 . 29178 . . 113 THR H . 25185 1 307 . 1 1 68 68 THR C C 13 174.5262 0.16 . 1 . 16807 . . 113 THR C . 25185 1 308 . 1 1 68 68 THR CA C 13 62.1276 0.16 . 1 . 14785 . . 113 THR CA . 25185 1 309 . 1 1 68 68 THR CB C 13 69.8214 0.16 . 1 . 15526 . . 113 THR CB . 25185 1 310 . 1 1 68 68 THR N N 15 115.5884 0.03 . 1 . 29180 . . 113 THR N . 25185 1 311 . 1 1 69 69 LYS H H 1 8.3265 0.001 . 1 . 15516 . . 114 LYS H . 25185 1 312 . 1 1 69 69 LYS C C 13 176.5783 0.16 . 1 . 16804 . . 114 LYS C . 25185 1 313 . 1 1 69 69 LYS CA C 13 56.5188 0.16 . 1 . 18706 . . 114 LYS CA . 25185 1 314 . 1 1 69 69 LYS CB C 13 33.0536 0.16 . 1 . 15541 . . 114 LYS CB . 25185 1 315 . 1 1 69 69 LYS N N 15 123.6957 0.03 . 1 . 15518 . . 114 LYS N . 25185 1 316 . 1 1 70 70 SER H H 1 8.3442 0.001 . 1 . 18708 . . 115 SER H . 25185 1 317 . 1 1 70 70 SER C C 13 174.4251 0.16 . 1 . 17065 . . 115 SER C . 25185 1 318 . 1 1 70 70 SER CA C 13 58.3590 0.16 . 1 . 15070 . . 115 SER CA . 25185 1 319 . 1 1 70 70 SER CB C 13 63.8633 0.16 . 1 . 16249 . . 115 SER CB . 25185 1 320 . 1 1 70 70 SER N N 15 116.9533 0.03 . 1 . 18710 . . 115 SER N . 25185 1 321 . 1 1 71 71 ASN H H 1 8.4746 0.001 . 1 . . . . 116 ASN H . 25185 1 322 . 1 1 71 71 ASN C C 13 175.7680 0.16 . 1 . 19402 . . 116 ASN C . 25185 1 323 . 1 1 71 71 ASN CA C 13 53.4709 0.16 . 1 . 19009 . . 116 ASN CA . 25185 1 324 . 1 1 71 71 ASN CB C 13 38.9773 0.16 . 1 . . . . 116 ASN CB . 25185 1 325 . 1 1 71 71 ASN N N 15 120.8886 0.03 . 1 . . . . 116 ASN N . 25185 1 326 . 1 1 72 72 GLY H H 1 8.3500 0.001 . 1 . 19011 . . 117 GLY H . 25185 1 327 . 1 1 72 72 GLY C C 13 174.4332 0.16 . 1 . 17176 . . 117 GLY C . 25185 1 328 . 1 1 72 72 GLY CA C 13 45.6423 0.16 . 1 . 18910 . . 117 GLY CA . 25185 1 329 . 1 1 72 72 GLY N N 15 109.0122 0.03 . 1 . 19013 . . 117 GLY N . 25185 1 330 . 1 1 73 73 THR H H 1 8.0617 0.001 . 1 . 19371 . . 118 THR H . 25185 1 331 . 1 1 73 73 THR C C 13 174.6135 0.16 . 1 . 19090 . . 118 THR C . 25185 1 332 . 1 1 73 73 THR CA C 13 61.9724 0.16 . 1 . 18061 . . 118 THR CA . 25185 1 333 . 1 1 73 73 THR CB C 13 70.0504 0.16 . 1 . 18058 . . 118 THR CB . 25185 1 334 . 1 1 73 73 THR N N 15 113.4463 0.03 . 1 . 19373 . . 118 THR N . 25185 1 335 . 1 1 74 74 ALA H H 1 8.3752 0.001 . 1 . 14685 . . 119 ALA H . 25185 1 336 . 1 1 74 74 ALA C C 13 178.1488 0.16 . 1 . 17272 . . 119 ALA C . 25185 1 337 . 1 1 74 74 ALA CA C 13 52.7829 0.16 . 1 . 15289 . . 119 ALA CA . 25185 1 338 . 1 1 74 74 ALA CB C 13 19.0818 0.16 . 1 . 15322 . . 119 ALA CB . 25185 1 339 . 1 1 74 74 ALA N N 15 126.5127 0.03 . 1 . 14687 . . 119 ALA N . 25185 1 340 . 1 1 75 75 GLY H H 1 8.3286 0.001 . 1 . 15285 . . 120 GLY H . 25185 1 341 . 1 1 75 75 GLY C C 13 174.6784 0.16 . 1 . 19408 . . 120 GLY C . 25185 1 342 . 1 1 75 75 GLY CA C 13 45.3705 0.16 . 1 . 18025 . . 120 GLY CA . 25185 1 343 . 1 1 75 75 GLY N N 15 108.2640 0.03 . 1 . 15287 . . 120 GLY N . 25185 1 344 . 1 1 76 76 GLY H H 1 8.1998 0.001 . 1 . 15276 . . 121 GLY H . 25185 1 345 . 1 1 76 76 GLY C C 13 173.9475 0.16 . 1 . 34165 . . 121 GLY C . 25185 1 346 . 1 1 76 76 GLY CA C 13 45.4600 0.16 . 1 . 15283 . . 121 GLY CA . 25185 1 347 . 1 1 76 76 GLY N N 15 108.4632 0.03 . 1 . 15278 . . 121 GLY N . 25185 1 348 . 1 1 77 77 ASN H H 1 8.3410 0.001 . 1 . 36780 . . 122 ASN H . 25185 1 349 . 1 1 77 77 ASN C C 13 175.4961 0.16 . 1 . 19429 . . 122 ASN C . 25185 1 350 . 1 1 77 77 ASN CA C 13 53.1904 0.16 . 1 . 30561 . . 122 ASN CA . 25185 1 351 . 1 1 77 77 ASN CB C 13 38.9854 0.16 . 1 . 36978 . . 122 ASN CB . 25185 1 352 . 1 1 77 77 ASN N N 15 118.5580 0.03 . 1 . 36782 . . 122 ASN N . 25185 1 353 . 1 1 78 78 THR H H 1 8.0638 0.001 . 1 . 19428 . . 123 THR H . 25185 1 354 . 1 1 78 78 THR C C 13 174.4246 0.16 . 1 . 36445 . . 123 THR C . 25185 1 355 . 1 1 78 78 THR CA C 13 61.9971 0.16 . 1 . 36695 . . 123 THR CA . 25185 1 356 . 1 1 78 78 THR CB C 13 69.8350 0.16 . 1 . 36489 . . 123 THR CB . 25185 1 357 . 1 1 78 78 THR N N 15 114.0272 0.03 . 1 . 19430 . . 123 THR N . 25185 1 358 . 1 1 79 79 PHE H H 1 8.2528 0.001 . 1 . 36528 . . 124 PHE H . 25185 1 359 . 1 1 79 79 PHE C C 13 176.3108 0.16 . 1 . 36759 . . 124 PHE C . 25185 1 360 . 1 1 79 79 PHE CA C 13 58.1553 0.16 . 1 . 36747 . . 124 PHE CA . 25185 1 361 . 1 1 79 79 PHE CB C 13 39.2393 0.16 . 1 . 36735 . . 124 PHE CB . 25185 1 362 . 1 1 79 79 PHE N N 15 122.1702 0.03 . 1 . 36530 . . 124 PHE N . 25185 1 363 . 1 1 80 80 GLY H H 1 8.2718 0.001 . 1 . . . . 125 GLY H . 25185 1 364 . 1 1 80 80 GLY C C 13 174.2087 0.16 . 1 . . . . 125 GLY C . 25185 1 365 . 1 1 80 80 GLY CA C 13 45.3584 0.16 . 1 . . . . 125 GLY CA . 25185 1 366 . 1 1 80 80 GLY N N 15 110.5387 0.03 . 1 . . . . 125 GLY N . 25185 1 367 . 1 1 81 81 SER H H 1 8.1753 0.001 . 1 . . . . 126 SER H . 25185 1 368 . 1 1 81 81 SER N N 15 115.5884 0.03 . 1 . . . . 126 SER N . 25185 1 369 . 1 1 83 83 SER H H 1 8.3053 0.001 . 1 . . . . 127 SER H . 25185 1 370 . 1 1 83 83 SER C C 13 174.4798 0.16 . 1 . 19153 . . 127 SER C . 25185 1 371 . 1 1 83 83 SER CA C 13 58.7547 0.16 . 1 . 18199 . . 127 SER CA . 25185 1 372 . 1 1 83 83 SER CB C 13 63.8582 0.16 . 1 . 18196 . . 127 SER CB . 25185 1 373 . 1 1 83 83 SER N N 15 117.6977 0.03 . 1 . . . . 127 SER N . 25185 1 374 . 1 1 84 84 LEU H H 1 8.0448 0.001 . 1 . 19152 . . 128 LEU H . 25185 1 375 . 1 1 84 84 LEU C C 13 177.0822 0.16 . 1 . 19234 . . 128 LEU C . 25185 1 376 . 1 1 84 84 LEU CA C 13 55.6128 0.16 . 1 . 18418 . . 128 LEU CA . 25185 1 377 . 1 1 84 84 LEU CB C 13 42.0797 0.16 . 1 . 15919 . . 128 LEU CB . 25185 1 378 . 1 1 84 84 LEU N N 15 123.2392 0.03 . 1 . 19154 . . 128 LEU N . 25185 1 379 . 1 1 85 85 PHE H H 1 8.0118 0.001 . 1 . 14937 . . 129 PHE H . 25185 1 380 . 1 1 85 85 PHE C C 13 175.3994 0.16 . 1 . 16906 . . 129 PHE C . 25185 1 381 . 1 1 85 85 PHE CA C 13 57.6322 0.16 . 1 . 17788 . . 129 PHE CA . 25185 1 382 . 1 1 85 85 PHE CB C 13 39.5346 0.16 . 1 . 15922 . . 129 PHE CB . 25185 1 383 . 1 1 85 85 PHE N N 15 119.4534 0.03 . 1 . 14939 . . 129 PHE N . 25185 1 384 . 1 1 86 86 ASN H H 1 8.2189 0.001 . 1 . 18381 . . 130 ASN H . 25185 1 385 . 1 1 86 86 ASN C C 13 174.7190 0.16 . 1 . 19237 . . 130 ASN C . 25185 1 386 . 1 1 86 86 ASN CA C 13 53.4580 0.16 . 1 . 23382 . . 130 ASN CA . 25185 1 387 . 1 1 86 86 ASN CB C 13 38.8584 0.16 . 1 . 15835 . . 130 ASN CB . 25185 1 388 . 1 1 86 86 ASN N N 15 120.1054 0.03 . 1 . 18383 . . 130 ASN N . 25185 1 389 . 1 1 87 87 ASN H H 1 8.3315 0.001 . 1 . 19236 . . 131 ASN H . 25185 1 390 . 1 1 87 87 ASN C C 13 175.4165 0.16 . 1 . 16930 . . 131 ASN C . 25185 1 391 . 1 1 87 87 ASN CA C 13 53.3874 0.16 . 1 . 28050 . . 131 ASN CA . 25185 1 392 . 1 1 87 87 ASN CB C 13 38.9854 0.16 . 1 . 36135 . . 131 ASN CB . 25185 1 393 . 1 1 87 87 ASN N N 15 119.4929 0.03 . 1 . 19238 . . 131 ASN N . 25185 1 394 . 1 1 88 88 SER H H 1 8.2956 0.001 . 1 . 18768 . . 132 SER H . 25185 1 395 . 1 1 88 88 SER C C 13 174.9386 0.16 . 1 . 27954 . . 132 SER C . 25185 1 396 . 1 1 88 88 SER CA C 13 58.7969 0.16 . 1 . 18856 . . 132 SER CA . 25185 1 397 . 1 1 88 88 SER CB C 13 63.9210 0.16 . 1 . 28033 . . 132 SER CB . 25185 1 398 . 1 1 88 88 SER N N 15 115.9388 0.03 . 1 . 18770 . . 132 SER N . 25185 1 399 . 1 1 89 89 THR H H 1 8.1538 0.001 . 1 . 19344 . . 133 THR H . 25185 1 400 . 1 1 89 89 THR C C 13 174.4472 0.16 . 1 . 35531 . . 133 THR C . 25185 1 401 . 1 1 89 89 THR CA C 13 62.2033 0.16 . 1 . 18343 . . 133 THR CA . 25185 1 402 . 1 1 89 89 THR CB C 13 69.7904 0.16 . 1 . 35529 . . 133 THR CB . 25185 1 403 . 1 1 89 89 THR N N 15 115.1819 0.03 . 1 . 19346 . . 133 THR N . 25185 1 404 . 1 1 90 90 ASN H H 1 8.3492 0.001 . 1 . 15777 . . 134 ASN H . 25185 1 405 . 1 1 90 90 ASN C C 13 175.2400 0.16 . 1 . 16885 . . 134 ASN C . 25185 1 406 . 1 1 90 90 ASN CA C 13 53.3747 0.16 . 1 . 14887 . . 134 ASN CA . 25185 1 407 . 1 1 90 90 ASN CB C 13 38.7415 0.16 . 1 . 15781 . . 134 ASN CB . 25185 1 408 . 1 1 90 90 ASN N N 15 120.7809 0.03 . 1 . 15779 . . 134 ASN N . 25185 1 409 . 1 1 91 91 SER H H 1 8.2632 0.001 . 1 . . . . 135 SER H . 25185 1 410 . 1 1 91 91 SER C C 13 174.3939 0.16 . 1 . 19207 . . 135 SER C . 25185 1 411 . 1 1 91 91 SER CA C 13 58.6241 0.16 . 1 . 18355 . . 135 SER CA . 25185 1 412 . 1 1 91 91 SER CB C 13 63.9355 0.16 . 1 . 18349 . . 135 SER CB . 25185 1 413 . 1 1 91 91 SER N N 15 116.1946 0.03 . 1 . . . . 135 SER N . 25185 1 414 . 1 1 92 92 ASN H H 1 8.4839 0.001 . 1 . 19206 . . 136 ASN H . 25185 1 415 . 1 1 92 92 ASN C C 13 175.4893 0.16 . 1 . 17155 . . 136 ASN C . 25185 1 416 . 1 1 92 92 ASN CA C 13 53.5727 0.16 . 1 . 16417 . . 136 ASN CA . 25185 1 417 . 1 1 92 92 ASN CB C 13 38.7243 0.16 . 1 . 16423 . . 136 ASN CB . 25185 1 418 . 1 1 92 92 ASN N N 15 120.6270 0.03 . 1 . 19208 . . 136 ASN N . 25185 1 419 . 1 1 93 93 THR H H 1 8.0791 0.001 . 1 . 16422 . . 137 THR H . 25185 1 420 . 1 1 93 93 THR C C 13 174.6843 0.16 . 1 . 17068 . . 137 THR C . 25185 1 421 . 1 1 93 93 THR CA C 13 61.9500 0.16 . 1 . 17902 . . 137 THR CA . 25185 1 422 . 1 1 93 93 THR CB C 13 69.8300 0.16 . 1 . 16405 . . 137 THR CB . 25185 1 423 . 1 1 93 93 THR N N 15 113.7960 0.03 . 1 . 16424 . . 137 THR N . 25185 1 424 . 1 1 94 94 THR H H 1 8.1077 0.001 . 1 . 19308 . . 138 THR H . 25185 1 425 . 1 1 94 94 THR C C 13 174.1205 0.16 . 1 . 17071 . . 138 THR C . 25185 1 426 . 1 1 94 94 THR CA C 13 62.0865 0.16 . 1 . 20043 . . 138 THR CA . 25185 1 427 . 1 1 94 94 THR CB C 13 69.7440 0.16 . 1 . 16264 . . 138 THR CB . 25185 1 428 . 1 1 94 94 THR N N 15 116.7464 0.03 . 1 . 19310 . . 138 THR N . 25185 1 429 . 1 1 95 95 LYS H H 1 8.2762 0.001 . 1 . 20039 . . 139 LYS H . 25185 1 430 . 1 1 95 95 LYS C C 13 174.2150 0.16 . 1 . 20061 . . 139 LYS C . 25185 1 431 . 1 1 95 95 LYS CA C 13 54.2064 0.16 . 1 . 20070 . . 139 LYS CA . 25185 1 432 . 1 1 95 95 LYS CB C 13 32.4833 0.16 . 1 . 20055 . . 139 LYS CB . 25185 1 433 . 1 1 95 95 LYS N N 15 125.2858 0.03 . 1 . 20041 . . 139 LYS N . 25185 1 434 . 1 1 96 96 PRO C C 13 176.4789 0.16 . 1 . 20361 . . 140 PRO C . 25185 1 435 . 1 1 96 96 PRO CA C 13 63.1656 0.16 . 1 . 20334 . . 140 PRO CA . 25185 1 436 . 1 1 96 96 PRO CB C 13 32.1816 0.16 . 1 . 20337 . . 140 PRO CB . 25185 1 437 . 1 1 97 97 ALA H H 1 8.3318 0.001 . 1 . 20333 . . 141 ALA H . 25185 1 438 . 1 1 97 97 ALA C C 13 177.4408 0.16 . 1 . 20355 . . 141 ALA C . 25185 1 439 . 1 1 97 97 ALA CA C 13 52.3934 0.16 . 1 . 20346 . . 141 ALA CA . 25185 1 440 . 1 1 97 97 ALA CB C 13 19.2991 0.16 . 1 . 23524 . . 141 ALA CB . 25185 1 441 . 1 1 97 97 ALA N N 15 124.3603 0.03 . 1 . 20335 . . 141 ALA N . 25185 1 442 . 1 1 98 98 PHE H H 1 8.1531 0.001 . 1 . 23520 . . 142 PHE H . 25185 1 443 . 1 1 98 98 PHE C C 13 176.2400 0.16 . 1 . 25415 . . 142 PHE C . 25185 1 444 . 1 1 98 98 PHE CA C 13 57.7895 0.16 . 1 . 23533 . . 142 PHE CA . 25185 1 445 . 1 1 98 98 PHE CB C 13 39.6201 0.16 . 1 . 23539 . . 142 PHE CB . 25185 1 446 . 1 1 98 98 PHE N N 15 119.1561 0.03 . 1 . 23522 . . 142 PHE N . 25185 1 447 . 1 1 99 99 GLY H H 1 8.2796 0.001 . 1 . 33656 . . 143 GLY H . 25185 1 448 . 1 1 99 99 GLY C C 13 174.4054 0.16 . 1 . 19417 . . 143 GLY C . 25185 1 449 . 1 1 99 99 GLY CA C 13 45.2331 0.16 . 1 . 33681 . . 143 GLY CA . 25185 1 450 . 1 1 99 99 GLY N N 15 110.8914 0.03 . 1 . 33658 . . 143 GLY N . 25185 1 451 . 1 1 100 100 GLY H H 1 7.8444 0.001 . 1 . 19416 . . 144 GLY H . 25185 1 452 . 1 1 100 100 GLY C C 13 173.9858 0.16 . 1 . 21450 . . 144 GLY C . 25185 1 453 . 1 1 100 100 GLY CA C 13 45.1680 0.16 . 1 . 21444 . . 144 GLY CA . 25185 1 454 . 1 1 100 100 GLY N N 15 108.1064 0.03 . 1 . 19418 . . 144 GLY N . 25185 1 455 . 1 1 101 101 LEU H H 1 8.0943 0.001 . 1 . 21428 . . 145 LEU H . 25185 1 456 . 1 1 101 101 LEU C C 13 176.9727 0.16 . 1 . 16987 . . 145 LEU C . 25185 1 457 . 1 1 101 101 LEU CA C 13 55.3992 0.16 . 1 . 18526 . . 145 LEU CA . 25185 1 458 . 1 1 101 101 LEU CB C 13 42.1863 0.16 . 1 . 21441 . . 145 LEU CB . 25185 1 459 . 1 1 101 101 LEU N N 15 121.2682 0.03 . 1 . 21430 . . 145 LEU N . 25185 1 460 . 1 1 102 102 ASN H H 1 8.3551 0.001 . 1 . 18507 . . 146 ASN H . 25185 1 461 . 1 1 102 102 ASN C C 13 174.8341 0.16 . 1 . 19192 . . 146 ASN C . 25185 1 462 . 1 1 102 102 ASN CA C 13 53.0547 0.16 . 1 . 14881 . . 146 ASN CA . 25185 1 463 . 1 1 102 102 ASN CB C 13 38.9269 0.16 . 1 . 16123 . . 146 ASN CB . 25185 1 464 . 1 1 102 102 ASN N N 15 118.7670 0.03 . 1 . 18509 . . 146 ASN N . 25185 1 465 . 1 1 103 103 PHE H H 1 8.1918 0.001 . 1 . 19191 . . 147 PHE H . 25185 1 466 . 1 1 103 103 PHE C C 13 176.3352 0.16 . 1 . 19384 . . 147 PHE C . 25185 1 467 . 1 1 103 103 PHE CA C 13 58.1761 0.16 . 1 . 18949 . . 147 PHE CA . 25185 1 468 . 1 1 103 103 PHE CB C 13 39.2315 0.16 . 1 . 34153 . . 147 PHE CB . 25185 1 469 . 1 1 103 103 PHE N N 15 121.0466 0.03 . 1 . 19193 . . 147 PHE N . 25185 1 470 . 1 1 104 104 GLY H H 1 8.3566 0.001 . 1 . 18945 . . 148 GLY H . 25185 1 471 . 1 1 104 104 GLY C C 13 174.6535 0.16 . 1 . 17215 . . 148 GLY C . 25185 1 472 . 1 1 104 104 GLY CA C 13 45.4613 0.16 . 1 . 16537 . . 148 GLY CA . 25185 1 473 . 1 1 104 104 GLY N N 15 110.7701 0.03 . 1 . 18947 . . 148 GLY N . 25185 1 474 . 1 1 105 105 GLY H H 1 8.0059 0.001 . 1 . 19041 . . 149 GLY H . 25185 1 475 . 1 1 105 105 GLY C C 13 174.6744 0.16 . 1 . 17263 . . 149 GLY C . 25185 1 476 . 1 1 105 105 GLY CA C 13 45.3651 0.16 . 1 . 18016 . . 149 GLY CA . 25185 1 477 . 1 1 105 105 GLY N N 15 108.4559 0.03 . 1 . 19043 . . 149 GLY N . 25185 1 478 . 1 1 106 106 GLY H H 1 8.2720 0.001 . 1 . 19017 . . 150 GLY H . 25185 1 479 . 1 1 106 106 GLY C C 13 173.9384 0.16 . 1 . 34157 . . 150 GLY C . 25185 1 480 . 1 1 106 106 GLY CA C 13 45.3319 0.16 . 1 . 16138 . . 150 GLY CA . 25185 1 481 . 1 1 106 106 GLY N N 15 108.6341 0.03 . 1 . 19019 . . 150 GLY N . 25185 1 482 . 1 1 107 107 ASN H H 1 8.3554 0.001 . 1 . 18567 . . 151 ASN H . 25185 1 483 . 1 1 107 107 ASN C C 13 174.9873 0.16 . 1 . 19252 . . 151 ASN C . 25185 1 484 . 1 1 107 107 ASN CA C 13 53.3659 0.16 . 1 . 34151 . . 151 ASN CA . 25185 1 485 . 1 1 107 107 ASN CB C 13 38.9905 0.16 . 1 . 34150 . . 151 ASN CB . 25185 1 486 . 1 1 107 107 ASN N N 15 118.4733 0.03 . 1 . 18569 . . 151 ASN N . 25185 1 487 . 1 1 108 108 ASN H H 1 8.4555 0.001 . 1 . 19251 . . 152 ASN H . 25185 1 488 . 1 1 108 108 ASN C C 13 175.2890 0.16 . 1 . 16960 . . 152 ASN C . 25185 1 489 . 1 1 108 108 ASN CA C 13 53.5041 0.16 . 1 . 30588 . . 152 ASN CA . 25185 1 490 . 1 1 108 108 ASN CB C 13 38.7315 0.16 . 1 . 30603 . . 152 ASN CB . 25185 1 491 . 1 1 108 108 ASN N N 15 119.1551 0.03 . 1 . 19253 . . 152 ASN N . 25185 1 492 . 1 1 109 109 THR H H 1 8.1229 0.001 . 1 . 30587 . . 153 THR H . 25185 1 493 . 1 1 109 109 THR C C 13 174.4817 0.16 . 1 . 30615 . . 153 THR C . 25185 1 494 . 1 1 109 109 THR CA C 13 62.0020 0.16 . 1 . 18466 . . 153 THR CA . 25185 1 495 . 1 1 109 109 THR CB C 13 69.9274 0.16 . 1 . 30609 . . 153 THR CB . 25185 1 496 . 1 1 109 109 THR N N 15 113.9148 0.03 . 1 . 30589 . . 153 THR N . 25185 1 497 . 1 1 110 110 THR H H 1 8.2164 0.001 . 1 . 18480 . . 154 THR H . 25185 1 498 . 1 1 110 110 THR C C 13 172.8516 0.16 . 1 . 16984 . . 154 THR C . 25185 1 499 . 1 1 110 110 THR CA C 13 59.9535 0.16 . 1 . 14977 . . 154 THR CA . 25185 1 500 . 1 1 110 110 THR CB C 13 69.7901 0.16 . 1 . 16045 . . 154 THR CB . 25185 1 501 . 1 1 110 110 THR N N 15 118.9598 0.03 . 1 . 18482 . . 154 THR N . 25185 1 502 . 1 1 111 111 PRO C C 13 176.9832 0.16 . 1 . 19324 . . 155 PRO C . 25185 1 503 . 1 1 111 111 PRO CA C 13 63.5121 0.16 . 1 . 18763 . . 155 PRO CA . 25185 1 504 . 1 1 111 111 PRO CB C 13 32.2247 0.16 . 1 . 18784 . . 155 PRO CB . 25185 1 505 . 1 1 112 112 SER H H 1 8.4044 0.001 . 1 . 15090 . . 156 SER H . 25185 1 506 . 1 1 112 112 SER C C 13 174.8986 0.16 . 1 . 17095 . . 156 SER C . 25185 1 507 . 1 1 112 112 SER CA C 13 58.3851 0.16 . 1 . 17872 . . 156 SER CA . 25185 1 508 . 1 1 112 112 SER CB C 13 64.1954 0.16 . 1 . 16297 . . 156 SER CB . 25185 1 509 . 1 1 112 112 SER N N 15 115.9044 0.03 . 1 . 15092 . . 156 SER N . 25185 1 510 . 1 1 113 113 SER H H 1 8.3979 0.001 . 1 . 18627 . . 157 SER H . 25185 1 511 . 1 1 113 113 SER C C 13 174.9246 0.16 . 1 . 17035 . . 157 SER C . 25185 1 512 . 1 1 113 113 SER CA C 13 58.5761 0.16 . 1 . 30005 . . 157 SER CA . 25185 1 513 . 1 1 113 113 SER CB C 13 63.9951 0.16 . 1 . 26685 . . 157 SER CB . 25185 1 514 . 1 1 113 113 SER N N 15 117.9615 0.03 . 1 . 18629 . . 157 SER N . 25185 1 515 . 1 1 114 114 THR H H 1 8.1614 0.001 . 1 . 29992 . . 158 THR H . 25185 1 516 . 1 1 114 114 THR C C 13 175.1777 0.16 . 1 . 19387 . . 158 THR C . 25185 1 517 . 1 1 114 114 THR CA C 13 61.9717 0.16 . 1 . 15214 . . 158 THR CA . 25185 1 518 . 1 1 114 114 THR CB C 13 69.8618 0.16 . 1 . 30157 . . 158 THR CB . 25185 1 519 . 1 1 114 114 THR N N 15 114.8824 0.03 . 1 . 29994 . . 158 THR N . 25185 1 520 . 1 1 115 115 GLY H H 1 8.3098 0.001 . 1 . 17196 . . 159 GLY H . 25185 1 521 . 1 1 115 115 GLY C C 13 173.8622 0.16 . 1 . 17221 . . 159 GLY C . 25185 1 522 . 1 1 115 115 GLY CA C 13 45.3896 0.16 . 1 . 15211 . . 159 GLY CA . 25185 1 523 . 1 1 115 115 GLY N N 15 110.7690 0.03 . 1 . 17198 . . 159 GLY N . 25185 1 524 . 1 1 116 116 ASN H H 1 8.2727 0.001 . 1 . . . . 160 ASN H . 25185 1 525 . 1 1 116 116 ASN C C 13 175.0860 0.16 . 1 . 20226 . . 160 ASN C . 25185 1 526 . 1 1 116 116 ASN CA C 13 53.2610 0.16 . 1 . 20241 . . 160 ASN CA . 25185 1 527 . 1 1 116 116 ASN CB C 13 39.1207 0.16 . 1 . 20238 . . 160 ASN CB . 25185 1 528 . 1 1 116 116 ASN N N 15 118.8177 0.03 . 1 . . . . 160 ASN N . 25185 1 529 . 1 1 117 117 ALA H H 1 8.3318 0.001 . 1 . 20225 . . 161 ALA H . 25185 1 530 . 1 1 117 117 ALA C C 13 177.5423 0.16 . 1 . 19294 . . 161 ALA C . 25185 1 531 . 1 1 117 117 ALA CA C 13 52.8685 0.16 . 1 . 15052 . . 161 ALA CA . 25185 1 532 . 1 1 117 117 ALA CB C 13 19.2271 0.16 . 1 . 18676 . . 161 ALA CB . 25185 1 533 . 1 1 117 117 ALA N N 15 124.3603 0.03 . 1 . 20227 . . 161 ALA N . 25185 1 534 . 1 1 118 118 ASN H H 1 8.4242 0.001 . 1 . 18654 . . 162 ASN H . 25185 1 535 . 1 1 118 118 ASN C C 13 175.6453 0.16 . 1 . 17161 . . 162 ASN C . 25185 1 536 . 1 1 118 118 ASN CA C 13 53.4472 0.16 . 1 . 17959 . . 162 ASN CA . 25185 1 537 . 1 1 118 118 ASN CB C 13 38.7315 0.16 . 1 . 31001 . . 162 ASN CB . 25185 1 538 . 1 1 118 118 ASN N N 15 117.6364 0.03 . 1 . 18656 . . 162 ASN N . 25185 1 539 . 1 1 119 119 THR H H 1 8.0634 0.001 . 1 . 19365 . . 163 THR H . 25185 1 540 . 1 1 119 119 THR C C 13 174.8245 0.16 . 1 . 35523 . . 163 THR C . 25185 1 541 . 1 1 119 119 THR CA C 13 61.9394 0.16 . 1 . 17887 . . 163 THR CA . 25185 1 542 . 1 1 119 119 THR CB C 13 69.9069 0.16 . 1 . 35522 . . 163 THR CB . 25185 1 543 . 1 1 119 119 THR N N 15 113.6675 0.03 . 1 . 19367 . . 163 THR N . 25185 1 544 . 1 1 120 120 SER H H 1 8.2858 0.001 . 1 . 15054 . . 164 SER H . 25185 1 545 . 1 1 120 120 SER C C 13 174.2986 0.16 . 1 . 27058 . . 164 SER C . 25185 1 546 . 1 1 120 120 SER CA C 13 58.6454 0.16 . 1 . 17779 . . 164 SER CA . 25185 1 547 . 1 1 120 120 SER CB C 13 63.9261 0.16 . 1 . 27012 . . 164 SER CB . 25185 1 548 . 1 1 120 120 SER N N 15 117.5247 0.03 . 1 . 15056 . . 164 SER N . 25185 1 549 . 1 1 121 121 ASN H H 1 8.3569 0.001 . 1 . 15825 . . 165 ASN H . 25185 1 550 . 1 1 121 121 ASN C C 13 174.8789 0.16 . 1 . 35846 . . 165 ASN C . 25185 1 551 . 1 1 121 121 ASN CA C 13 53.3427 0.16 . 1 . 35864 . . 165 ASN CA . 25185 1 552 . 1 1 121 121 ASN CB C 13 38.9315 0.16 . 1 . 15826 . . 165 ASN CB . 25185 1 553 . 1 1 121 121 ASN N N 15 120.3147 0.03 . 1 . 15827 . . 165 ASN N . 25185 1 554 . 1 1 122 122 ASN H H 1 8.2853 0.001 . 1 . 35845 . . 166 ASN H . 25185 1 555 . 1 1 122 122 ASN C C 13 175.1420 0.16 . 1 . 19162 . . 166 ASN C . 25185 1 556 . 1 1 122 122 ASN CA C 13 53.5191 0.16 . 1 . 18232 . . 166 ASN CA . 25185 1 557 . 1 1 122 122 ASN CB C 13 38.7732 0.16 . 1 . 23887 . . 166 ASN CB . 25185 1 558 . 1 1 122 122 ASN N N 15 118.8480 0.03 . 1 . 35847 . . 166 ASN N . 25185 1 559 . 1 1 123 123 LEU H H 1 8.0845 0.001 . 1 . 18240 . . 167 LEU H . 25185 1 560 . 1 1 123 123 LEU C C 13 177.2510 0.16 . 1 . 23245 . . 167 LEU C . 25185 1 561 . 1 1 123 123 LEU CA C 13 55.5104 0.16 . 1 . 23239 . . 167 LEU CA . 25185 1 562 . 1 1 123 123 LEU CB C 13 41.9686 0.16 . 1 . 15643 . . 167 LEU CB . 25185 1 563 . 1 1 123 123 LEU N N 15 121.9679 0.03 . 1 . 18242 . . 167 LEU N . 25185 1 564 . 1 1 124 124 PHE H H 1 8.1202 0.001 . 1 . 23229 . . 168 PHE H . 25185 1 565 . 1 1 124 124 PHE C C 13 176.3533 0.16 . 1 . 23248 . . 168 PHE C . 25185 1 566 . 1 1 124 124 PHE CA C 13 57.9920 0.16 . 1 . 23236 . . 168 PHE CA . 25185 1 567 . 1 1 124 124 PHE CB C 13 39.3792 0.16 . 1 . 23257 . . 168 PHE CB . 25185 1 568 . 1 1 124 124 PHE N N 15 119.6791 0.03 . 1 . 23231 . . 168 PHE N . 25185 1 569 . 1 1 125 125 GLY H H 1 8.1901 0.001 . 1 . 15258 . . 169 GLY H . 25185 1 570 . 1 1 125 125 GLY C C 13 174.0542 0.16 . 1 . 16813 . . 169 GLY C . 25185 1 571 . 1 1 125 125 GLY CA C 13 45.4910 0.16 . 1 . 16618 . . 169 GLY CA . 25185 1 572 . 1 1 125 125 GLY N N 15 110.0261 0.03 . 1 . 15260 . . 169 GLY N . 25185 1 573 . 1 1 126 126 ALA H H 1 8.1231 0.001 . 1 . 19143 . . 170 ALA H . 25185 1 574 . 1 1 126 126 ALA C C 13 178.1889 0.16 . 1 . 16810 . . 170 ALA C . 25185 1 575 . 1 1 126 126 ALA CA C 13 52.7665 0.16 . 1 . 15199 . . 170 ALA CA . 25185 1 576 . 1 1 126 126 ALA CB C 13 19.3066 0.16 . 1 . 18934 . . 170 ALA CB . 25185 1 577 . 1 1 126 126 ALA N N 15 123.6887 0.03 . 1 . 19145 . . 170 ALA N . 25185 1 578 . 1 1 127 127 THR H H 1 8.0844 0.001 . 1 . 19380 . . 171 THR H . 25185 1 579 . 1 1 127 127 THR C C 13 174.5751 0.16 . 1 . 19618 . . 171 THR C . 25185 1 580 . 1 1 127 127 THR CA C 13 61.9443 0.16 . 1 . 34262 . . 171 THR CA . 25185 1 581 . 1 1 127 127 THR CB C 13 69.8350 0.16 . 1 . 16483 . . 171 THR CB . 25185 1 582 . 1 1 127 127 THR N N 15 112.7083 0.03 . 1 . 19382 . . 171 THR N . 25185 1 583 . 1 1 128 128 ALA H H 1 8.2099 0.001 . 1 . 19611 . . 172 ALA H . 25185 1 584 . 1 1 128 128 ALA C C 13 177.9034 0.16 . 1 . 19621 . . 172 ALA C . 25185 1 585 . 1 1 128 128 ALA CA C 13 53.0207 0.16 . 1 . 18871 . . 172 ALA CA . 25185 1 586 . 1 1 128 128 ALA CB C 13 19.1807 0.16 . 1 . 30382 . . 172 ALA CB . 25185 1 587 . 1 1 128 128 ALA N N 15 125.8626 0.03 . 1 . 19613 . . 172 ALA N . 25185 1 588 . 1 1 129 129 SER H H 1 8.1951 0.001 . 1 . 18870 . . . SER H . 25185 1 589 . 1 1 129 129 SER C C 13 174.6546 0.16 . 1 . 30361 . . . SER C . 25185 1 590 . 1 1 129 129 SER CA C 13 58.6782 0.16 . 1 . 15130 . . . SER CA . 25185 1 591 . 1 1 129 129 SER CB C 13 63.7356 0.16 . 1 . 16384 . . . SER CB . 25185 1 592 . 1 1 129 129 SER N N 15 114.5248 0.03 . 1 . 18872 . . . SER N . 25185 1 stop_ save_