data_16425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16425 _Entry.Title ; Interdomain RRM packing contributes to RNA recognition in the rna15, hrp1, anchor RNA 3' processing ternary complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-24 _Entry.Accession_date 2009-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of rna15p and hrp1p proteins bound to RNA refined with PREs and RDCs.' _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 Thomas Leeper . C. . 16425 2 Gabriele Varani . . . 16425 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16425 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID "3' processing" . 16425 'enhancer element' . 16425 hrp1p . 16425 NMR . 16425 'positioning element' . 16425 rna15p . 16425 'RNA recognition' . 16425 'RRM domain' . 16425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 16425 '15N chemical shifts' 88 16425 '1H chemical shifts' 554 16425 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2009-07-24 update BMRB 'Complete entry citation' 16425 1 . . 2010-07-27 2009-07-24 original author 'original release' 16425 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KM8 'BMRB Entry Tracking System' 16425 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16425 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20600122 _Citation.Full_citation . _Citation.Title 'Novel Protein-Protein Contacts Facilitate mRNA 3'-Processing Signal Recognition by Rna15 and Hrp1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 401 _Citation.Journal_issue 3 _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 334 _Citation.Page_last 349 _Citation.Year 2010 _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 Thomas Leeper . C. . 16425 1 2 Xiangping Qu . . . 16425 1 3 Connie Lu . . . 16425 1 4 Claire Moore . . . 16425 1 5 Gabriele Varani . . . 16425 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16425 _Assembly.ID 1 _Assembly.Name "rna15, hrp1, anchor RNA 3' processing ternary complex" _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 rna15p 1 $rna15p A . yes native no no . . . 16425 1 2 anchor_RNA 2 $anchor_RNA B . no native no no . . . 16425 1 3 hrp1p 3 $hrp1p C . no native no no . . . 16425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rna15p _Entity.Sf_category entity _Entity.Sf_framecode rna15p _Entity.Entry_ID 16425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rna15p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NPPSRVVYLGSIPYDQTEEQ ILDLCSNVGPVINLKMMFDP QTGRSKGYAFIEFRDLESSA SAVRNLNGYQLGSRFLKCGY SSNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _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 PDB 2KM8 . "Interdomain Rrm Packing Contributes To Rna Recognition In The Rna15, Hrp1, Anchor Rna 3' Processing Ternary Complex" . . . . . 100.00 84 100.00 100.00 1.56e-53 . . . . 16425 1 2 no PDB 2X1A . "Structure Of Rna15 Rrm With Rna Bound (G)" . . . . . 97.62 97 100.00 100.00 6.33e-52 . . . . 16425 1 3 no PDB 2X1B . "Structure Of Rna15 Rrm" . . . . . 97.62 97 100.00 100.00 6.33e-52 . . . . 16425 1 4 no PDB 2X1F . "Structure Of Rna15 Rrm With Bound Rna (Gu)" . . . . . 97.62 96 100.00 100.00 1.38e-52 . . . . 16425 1 5 no DBJ GAA23344 . "K7_Rna15p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 296 100.00 100.00 2.60e-52 . . . . 16425 1 6 no EMBL CAA96746 . "RNA15 [Saccharomyces cerevisiae]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 7 no EMBL CAY79715 . "Rna15p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 295 100.00 100.00 2.32e-52 . . . . 16425 1 8 no GB AAA34984 . "RNA15 [Saccharomyces cerevisiae]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 9 no GB AHY79328 . "Rna15p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 10 no GB AJP38746 . "Rna15p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 295 98.81 100.00 8.17e-52 . . . . 16425 1 11 no GB AJR76066 . "Rna15p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 12 no GB AJR76567 . "Rna15p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 296 100.00 100.00 2.38e-52 . . . . 16425 1 13 no REF NP_011471 . "Rna15p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 14 no SP P25299 . "RecName: Full=mRNA 3'-end-processing protein RNA15" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 1 15 no TPG DAA08056 . "TPA: Rna15p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 296 100.00 100.00 2.54e-52 . . . . 16425 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 22 ASN . 16425 1 2 23 PRO . 16425 1 3 24 PRO . 16425 1 4 25 SER . 16425 1 5 26 ARG . 16425 1 6 27 VAL . 16425 1 7 28 VAL . 16425 1 8 29 TYR . 16425 1 9 30 LEU . 16425 1 10 31 GLY . 16425 1 11 32 SER . 16425 1 12 33 ILE . 16425 1 13 34 PRO . 16425 1 14 35 TYR . 16425 1 15 36 ASP . 16425 1 16 37 GLN . 16425 1 17 38 THR . 16425 1 18 39 GLU . 16425 1 19 40 GLU . 16425 1 20 41 GLN . 16425 1 21 42 ILE . 16425 1 22 43 LEU . 16425 1 23 44 ASP . 16425 1 24 45 LEU . 16425 1 25 46 CYS . 16425 1 26 47 SER . 16425 1 27 48 ASN . 16425 1 28 49 VAL . 16425 1 29 50 GLY . 16425 1 30 51 PRO . 16425 1 31 52 VAL . 16425 1 32 53 ILE . 16425 1 33 54 ASN . 16425 1 34 55 LEU . 16425 1 35 56 LYS . 16425 1 36 57 MET . 16425 1 37 58 MET . 16425 1 38 59 PHE . 16425 1 39 60 ASP . 16425 1 40 61 PRO . 16425 1 41 62 GLN . 16425 1 42 63 THR . 16425 1 43 64 GLY . 16425 1 44 65 ARG . 16425 1 45 66 SER . 16425 1 46 67 LYS . 16425 1 47 68 GLY . 16425 1 48 69 TYR . 16425 1 49 70 ALA . 16425 1 50 71 PHE . 16425 1 51 72 ILE . 16425 1 52 73 GLU . 16425 1 53 74 PHE . 16425 1 54 75 ARG . 16425 1 55 76 ASP . 16425 1 56 77 LEU . 16425 1 57 78 GLU . 16425 1 58 79 SER . 16425 1 59 80 SER . 16425 1 60 81 ALA . 16425 1 61 82 SER . 16425 1 62 83 ALA . 16425 1 63 84 VAL . 16425 1 64 85 ARG . 16425 1 65 86 ASN . 16425 1 66 87 LEU . 16425 1 67 88 ASN . 16425 1 68 89 GLY . 16425 1 69 90 TYR . 16425 1 70 91 GLN . 16425 1 71 92 LEU . 16425 1 72 93 GLY . 16425 1 73 94 SER . 16425 1 74 95 ARG . 16425 1 75 96 PHE . 16425 1 76 97 LEU . 16425 1 77 98 LYS . 16425 1 78 99 CYS . 16425 1 79 100 GLY . 16425 1 80 101 TYR . 16425 1 81 102 SER . 16425 1 82 103 SER . 16425 1 83 104 ASN . 16425 1 84 105 SER . 16425 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 . ASN 1 1 16425 1 . PRO 2 2 16425 1 . PRO 3 3 16425 1 . SER 4 4 16425 1 . ARG 5 5 16425 1 . VAL 6 6 16425 1 . VAL 7 7 16425 1 . TYR 8 8 16425 1 . LEU 9 9 16425 1 . GLY 10 10 16425 1 . SER 11 11 16425 1 . ILE 12 12 16425 1 . PRO 13 13 16425 1 . TYR 14 14 16425 1 . ASP 15 15 16425 1 . GLN 16 16 16425 1 . THR 17 17 16425 1 . GLU 18 18 16425 1 . GLU 19 19 16425 1 . GLN 20 20 16425 1 . ILE 21 21 16425 1 . LEU 22 22 16425 1 . ASP 23 23 16425 1 . LEU 24 24 16425 1 . CYS 25 25 16425 1 . SER 26 26 16425 1 . ASN 27 27 16425 1 . VAL 28 28 16425 1 . GLY 29 29 16425 1 . PRO 30 30 16425 1 . VAL 31 31 16425 1 . ILE 32 32 16425 1 . ASN 33 33 16425 1 . LEU 34 34 16425 1 . LYS 35 35 16425 1 . MET 36 36 16425 1 . MET 37 37 16425 1 . PHE 38 38 16425 1 . ASP 39 39 16425 1 . PRO 40 40 16425 1 . GLN 41 41 16425 1 . THR 42 42 16425 1 . GLY 43 43 16425 1 . ARG 44 44 16425 1 . SER 45 45 16425 1 . LYS 46 46 16425 1 . GLY 47 47 16425 1 . TYR 48 48 16425 1 . ALA 49 49 16425 1 . PHE 50 50 16425 1 . ILE 51 51 16425 1 . GLU 52 52 16425 1 . PHE 53 53 16425 1 . ARG 54 54 16425 1 . ASP 55 55 16425 1 . LEU 56 56 16425 1 . GLU 57 57 16425 1 . SER 58 58 16425 1 . SER 59 59 16425 1 . ALA 60 60 16425 1 . SER 61 61 16425 1 . ALA 62 62 16425 1 . VAL 63 63 16425 1 . ARG 64 64 16425 1 . ASN 65 65 16425 1 . LEU 66 66 16425 1 . ASN 67 67 16425 1 . GLY 68 68 16425 1 . TYR 69 69 16425 1 . GLN 70 70 16425 1 . LEU 71 71 16425 1 . GLY 72 72 16425 1 . SER 73 73 16425 1 . ARG 74 74 16425 1 . PHE 75 75 16425 1 . LEU 76 76 16425 1 . LYS 77 77 16425 1 . CYS 78 78 16425 1 . GLY 79 79 16425 1 . TYR 80 80 16425 1 . SER 81 81 16425 1 . SER 82 82 16425 1 . ASN 83 83 16425 1 . SER 84 84 16425 1 stop_ save_ save_anchor_RNA _Entity.Sf_category entity _Entity.Sf_framecode anchor_RNA _Entity.Entry_ID 16425 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name anchor_RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UAUAUAUAAUAAU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 112.088 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . U . 16425 2 2 . A . 16425 2 3 . U . 16425 2 4 . A . 16425 2 5 . U . 16425 2 6 . A . 16425 2 7 . U . 16425 2 8 . A . 16425 2 9 . A . 16425 2 10 . U . 16425 2 11 . A . 16425 2 12 . A . 16425 2 13 . U . 16425 2 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 . U 1 1 16425 2 . A 2 2 16425 2 . U 3 3 16425 2 . A 4 4 16425 2 . U 5 5 16425 2 . A 6 6 16425 2 . U 7 7 16425 2 . A 8 8 16425 2 . A 9 9 16425 2 . U 10 10 16425 2 . A 11 11 16425 2 . A 12 12 16425 2 . U 13 13 16425 2 stop_ save_ save_hrp1p _Entity.Sf_category entity _Entity.Sf_framecode hrp1p _Entity.Entry_ID 16425 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name hrp1p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KESCKMFIGGLNWDTTEDNL REYFGKYGTVTDLKIMKDPA TGRSRGFGFLSFEKPSSVDE VVKTQHILDGKVIDPKRAIP RDEQDKTGKIFVGGIGPDVR PKEFEEFFSQWGTIIDAQLM LDKDTGQSRGFGFVTYDSAD AVDRVCQNKFIDFKDRKIEI KRAEPRH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method syn _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 2015-01-30 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 PDB 2CJK . "Structure Of The Rna Binding Domain Of Hrp1 In Complex With Rna" . . . . . 100.00 167 100.00 100.00 1.09e-116 . . . . 16425 3 2 no PDB 2KM8 . "Interdomain Rrm Packing Contributes To Rna Recognition In The Rna15, Hrp1, Anchor Rna 3' Processing Ternary Complex" . . . . . 100.00 167 100.00 100.00 1.09e-116 . . . . 16425 3 3 no DBJ GAA26207 . "K7_Hrp1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 4 no EMBL CAA64546 . "RNA binding protein [Saccharomyces cerevisiae]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 5 no EMBL CAA99142 . "HRP1 [Saccharomyces cerevisiae]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 6 no EMBL CAY86168 . "Hrp1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 534 100.00 100.00 9.96e-118 . . . . 16425 3 7 no GB AAA79097 . "nuclear polyadenylated RNA-binding protein [Saccharomyces cerevisiae]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 8 no GB AAB18142 . "Hrp1p [Saccharomyces cerevisiae]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 9 no GB AHY77195 . "Hrp1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 534 100.00 100.00 1.25e-109 . . . . 16425 3 10 no GB EDN63753 . "cleavage and polyadenylation factor CF I component involved in pre-mRNA 3'-end processing [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 534 100.00 100.00 1.25e-109 . . . . 16425 3 11 no GB EDV10496 . "nuclear polyadenylated RNA-binding protein 4 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 534 100.00 100.00 1.25e-109 . . . . 16425 3 12 no REF NP_014518 . "Hrp1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 13 no REF XP_011105369 . "hrp1p [Saccharomyces arboricola H-6]" . . . . . 100.00 540 100.00 100.00 1.50e-117 . . . . 16425 3 14 no SP Q99383 . "RecName: Full=Nuclear polyadenylated RNA-binding protein 4; AltName: Full=Cleavage factor IB; Short=CFIB [Saccharomyces cerevis" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 15 no TPG DAA10661 . "TPA: Hrp1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 534 100.00 100.00 1.35e-109 . . . . 16425 3 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 . LYS . 16425 3 2 . GLU . 16425 3 3 . SER . 16425 3 4 . CYS . 16425 3 5 . LYS . 16425 3 6 . MET . 16425 3 7 . PHE . 16425 3 8 . ILE . 16425 3 9 . GLY . 16425 3 10 . GLY . 16425 3 11 . LEU . 16425 3 12 . ASN . 16425 3 13 . TRP . 16425 3 14 . ASP . 16425 3 15 . THR . 16425 3 16 . THR . 16425 3 17 . GLU . 16425 3 18 . ASP . 16425 3 19 . ASN . 16425 3 20 . LEU . 16425 3 21 . ARG . 16425 3 22 . GLU . 16425 3 23 . TYR . 16425 3 24 . PHE . 16425 3 25 . GLY . 16425 3 26 . LYS . 16425 3 27 . TYR . 16425 3 28 . GLY . 16425 3 29 . THR . 16425 3 30 . VAL . 16425 3 31 . THR . 16425 3 32 . ASP . 16425 3 33 . LEU . 16425 3 34 . LYS . 16425 3 35 . ILE . 16425 3 36 . MET . 16425 3 37 . LYS . 16425 3 38 . ASP . 16425 3 39 . PRO . 16425 3 40 . ALA . 16425 3 41 . THR . 16425 3 42 . GLY . 16425 3 43 . ARG . 16425 3 44 . SER . 16425 3 45 . ARG . 16425 3 46 . GLY . 16425 3 47 . PHE . 16425 3 48 . GLY . 16425 3 49 . PHE . 16425 3 50 . LEU . 16425 3 51 . SER . 16425 3 52 . PHE . 16425 3 53 . GLU . 16425 3 54 . LYS . 16425 3 55 . PRO . 16425 3 56 . SER . 16425 3 57 . SER . 16425 3 58 . VAL . 16425 3 59 . ASP . 16425 3 60 . GLU . 16425 3 61 . VAL . 16425 3 62 . VAL . 16425 3 63 . LYS . 16425 3 64 . THR . 16425 3 65 . GLN . 16425 3 66 . HIS . 16425 3 67 . ILE . 16425 3 68 . LEU . 16425 3 69 . ASP . 16425 3 70 . GLY . 16425 3 71 . LYS . 16425 3 72 . VAL . 16425 3 73 . ILE . 16425 3 74 . ASP . 16425 3 75 . PRO . 16425 3 76 . LYS . 16425 3 77 . ARG . 16425 3 78 . ALA . 16425 3 79 . ILE . 16425 3 80 . PRO . 16425 3 81 . ARG . 16425 3 82 . ASP . 16425 3 83 . GLU . 16425 3 84 . GLN . 16425 3 85 . ASP . 16425 3 86 . LYS . 16425 3 87 . THR . 16425 3 88 . GLY . 16425 3 89 . LYS . 16425 3 90 . ILE . 16425 3 91 . PHE . 16425 3 92 . VAL . 16425 3 93 . GLY . 16425 3 94 . GLY . 16425 3 95 . ILE . 16425 3 96 . GLY . 16425 3 97 . PRO . 16425 3 98 . ASP . 16425 3 99 . VAL . 16425 3 100 . ARG . 16425 3 101 . PRO . 16425 3 102 . LYS . 16425 3 103 . GLU . 16425 3 104 . PHE . 16425 3 105 . GLU . 16425 3 106 . GLU . 16425 3 107 . PHE . 16425 3 108 . PHE . 16425 3 109 . SER . 16425 3 110 . GLN . 16425 3 111 . TRP . 16425 3 112 . GLY . 16425 3 113 . THR . 16425 3 114 . ILE . 16425 3 115 . ILE . 16425 3 116 . ASP . 16425 3 117 . ALA . 16425 3 118 . GLN . 16425 3 119 . LEU . 16425 3 120 . MET . 16425 3 121 . LEU . 16425 3 122 . ASP . 16425 3 123 . LYS . 16425 3 124 . ASP . 16425 3 125 . THR . 16425 3 126 . GLY . 16425 3 127 . GLN . 16425 3 128 . SER . 16425 3 129 . ARG . 16425 3 130 . GLY . 16425 3 131 . PHE . 16425 3 132 . GLY . 16425 3 133 . PHE . 16425 3 134 . VAL . 16425 3 135 . THR . 16425 3 136 . TYR . 16425 3 137 . ASP . 16425 3 138 . SER . 16425 3 139 . ALA . 16425 3 140 . ASP . 16425 3 141 . ALA . 16425 3 142 . VAL . 16425 3 143 . ASP . 16425 3 144 . ARG . 16425 3 145 . VAL . 16425 3 146 . CYS . 16425 3 147 . GLN . 16425 3 148 . ASN . 16425 3 149 . LYS . 16425 3 150 . PHE . 16425 3 151 . ILE . 16425 3 152 . ASP . 16425 3 153 . PHE . 16425 3 154 . LYS . 16425 3 155 . ASP . 16425 3 156 . ARG . 16425 3 157 . LYS . 16425 3 158 . ILE . 16425 3 159 . GLU . 16425 3 160 . ILE . 16425 3 161 . LYS . 16425 3 162 . ARG . 16425 3 163 . ALA . 16425 3 164 . GLU . 16425 3 165 . PRO . 16425 3 166 . ARG . 16425 3 167 . HIS . 16425 3 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 . LYS 1 1 16425 3 . GLU 2 2 16425 3 . SER 3 3 16425 3 . CYS 4 4 16425 3 . LYS 5 5 16425 3 . MET 6 6 16425 3 . PHE 7 7 16425 3 . ILE 8 8 16425 3 . GLY 9 9 16425 3 . GLY 10 10 16425 3 . LEU 11 11 16425 3 . ASN 12 12 16425 3 . TRP 13 13 16425 3 . ASP 14 14 16425 3 . THR 15 15 16425 3 . THR 16 16 16425 3 . GLU 17 17 16425 3 . ASP 18 18 16425 3 . ASN 19 19 16425 3 . LEU 20 20 16425 3 . ARG 21 21 16425 3 . GLU 22 22 16425 3 . TYR 23 23 16425 3 . PHE 24 24 16425 3 . GLY 25 25 16425 3 . LYS 26 26 16425 3 . TYR 27 27 16425 3 . GLY 28 28 16425 3 . THR 29 29 16425 3 . VAL 30 30 16425 3 . THR 31 31 16425 3 . ASP 32 32 16425 3 . LEU 33 33 16425 3 . LYS 34 34 16425 3 . ILE 35 35 16425 3 . MET 36 36 16425 3 . LYS 37 37 16425 3 . ASP 38 38 16425 3 . PRO 39 39 16425 3 . ALA 40 40 16425 3 . THR 41 41 16425 3 . GLY 42 42 16425 3 . ARG 43 43 16425 3 . SER 44 44 16425 3 . ARG 45 45 16425 3 . GLY 46 46 16425 3 . PHE 47 47 16425 3 . GLY 48 48 16425 3 . PHE 49 49 16425 3 . LEU 50 50 16425 3 . SER 51 51 16425 3 . PHE 52 52 16425 3 . GLU 53 53 16425 3 . LYS 54 54 16425 3 . PRO 55 55 16425 3 . SER 56 56 16425 3 . SER 57 57 16425 3 . VAL 58 58 16425 3 . ASP 59 59 16425 3 . GLU 60 60 16425 3 . VAL 61 61 16425 3 . VAL 62 62 16425 3 . LYS 63 63 16425 3 . THR 64 64 16425 3 . GLN 65 65 16425 3 . HIS 66 66 16425 3 . ILE 67 67 16425 3 . LEU 68 68 16425 3 . ASP 69 69 16425 3 . GLY 70 70 16425 3 . LYS 71 71 16425 3 . VAL 72 72 16425 3 . ILE 73 73 16425 3 . ASP 74 74 16425 3 . PRO 75 75 16425 3 . LYS 76 76 16425 3 . ARG 77 77 16425 3 . ALA 78 78 16425 3 . ILE 79 79 16425 3 . PRO 80 80 16425 3 . ARG 81 81 16425 3 . ASP 82 82 16425 3 . GLU 83 83 16425 3 . GLN 84 84 16425 3 . ASP 85 85 16425 3 . LYS 86 86 16425 3 . THR 87 87 16425 3 . GLY 88 88 16425 3 . LYS 89 89 16425 3 . ILE 90 90 16425 3 . PHE 91 91 16425 3 . VAL 92 92 16425 3 . GLY 93 93 16425 3 . GLY 94 94 16425 3 . ILE 95 95 16425 3 . GLY 96 96 16425 3 . PRO 97 97 16425 3 . ASP 98 98 16425 3 . VAL 99 99 16425 3 . ARG 100 100 16425 3 . PRO 101 101 16425 3 . LYS 102 102 16425 3 . GLU 103 103 16425 3 . PHE 104 104 16425 3 . GLU 105 105 16425 3 . GLU 106 106 16425 3 . PHE 107 107 16425 3 . PHE 108 108 16425 3 . SER 109 109 16425 3 . GLN 110 110 16425 3 . TRP 111 111 16425 3 . GLY 112 112 16425 3 . THR 113 113 16425 3 . ILE 114 114 16425 3 . ILE 115 115 16425 3 . ASP 116 116 16425 3 . ALA 117 117 16425 3 . GLN 118 118 16425 3 . LEU 119 119 16425 3 . MET 120 120 16425 3 . LEU 121 121 16425 3 . ASP 122 122 16425 3 . LYS 123 123 16425 3 . ASP 124 124 16425 3 . THR 125 125 16425 3 . GLY 126 126 16425 3 . GLN 127 127 16425 3 . SER 128 128 16425 3 . ARG 129 129 16425 3 . GLY 130 130 16425 3 . PHE 131 131 16425 3 . GLY 132 132 16425 3 . PHE 133 133 16425 3 . VAL 134 134 16425 3 . THR 135 135 16425 3 . TYR 136 136 16425 3 . ASP 137 137 16425 3 . SER 138 138 16425 3 . ALA 139 139 16425 3 . ASP 140 140 16425 3 . ALA 141 141 16425 3 . VAL 142 142 16425 3 . ASP 143 143 16425 3 . ARG 144 144 16425 3 . VAL 145 145 16425 3 . CYS 146 146 16425 3 . GLN 147 147 16425 3 . ASN 148 148 16425 3 . LYS 149 149 16425 3 . PHE 150 150 16425 3 . ILE 151 151 16425 3 . ASP 152 152 16425 3 . PHE 153 153 16425 3 . LYS 154 154 16425 3 . ASP 155 155 16425 3 . ARG 156 156 16425 3 . LYS 157 157 16425 3 . ILE 158 158 16425 3 . GLU 159 159 16425 3 . ILE 160 160 16425 3 . LYS 161 161 16425 3 . ARG 162 162 16425 3 . ALA 163 163 16425 3 . GLU 164 164 16425 3 . PRO 165 165 16425 3 . ARG 166 166 16425 3 . HIS 167 167 16425 3 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 16425 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $rna15p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . 2.1 . . . . 16425 1 2 3 $hrp1p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16425 1 3 2 $anchor_RNA . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16425 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 16425 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $rna15p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta pLys' . . . . . . . . . . . . . . . pet32 . . . . . . 16425 1 2 3 $hrp1p . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta pLys' . . . . . . . . . . . . . . . pet32 . . . . . . 16425 1 3 2 $anchor_RNA . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16425 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16425 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p '[U-100% 15N]' . . 1 $rna15p . . 0.4 . . mM 0.04 . . . 16425 1 2 hrp1p 'natural abundance' . . 3 $hrp1p . . 0.4 . . mM 0.04 . . . 16425 1 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.4 . . mM 0.04 . . . 16425 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 1 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 1 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16425 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p 'natural abundance' . . 1 $rna15p . . 0.6 . . mM 0.02 . . . 16425 2 2 hrp1p '[U-100% 15N]' . . 3 $hrp1p . . 0.6 . . mM 0.07 . . . 16425 2 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.6 . . mM 0.03 . . . 16425 2 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 2 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 2 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16425 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p '[U-100% 13C]' . . 1 $rna15p . . 0.35 . . mM 0.03 . . . 16425 3 2 hrp1p '[U-100% 15N]' . . 3 $hrp1p . . 0.35 . . mM 0.03 . . . 16425 3 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.35 . . mM 0.03 . . . 16425 3 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 3 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 3 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 3 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16425 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p '[U-100% 15N]' . . 1 $rna15p . . 0.5 . . mM 0.05 . . . 16425 4 2 hrp1p '[U-100% 13C]' . . 3 $hrp1p . . 0.5 . . mM 0.05 . . . 16425 4 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.5 . . mM 0.05 . . . 16425 4 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 4 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 4 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 4 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16425 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p '[U-100% 13C; U-100% 15N]' . . 1 $rna15p . . 0.5 . . mM 0.04 . . . 16425 5 2 hrp1p 'natural abundance' . . 3 $hrp1p . . 0.5 . . mM 0.04 . . . 16425 5 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.5 . . mM 0.04 . . . 16425 5 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 5 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 5 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 5 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 16425 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 rna15p 'natural abundance' . . 1 $rna15p . . 0.5 . . mM 0.02 . . . 16425 6 2 hrp1p '[U-100% 13C; U-100% 15N]' . . 3 $hrp1p . . 0.5 . . mM 0.02 . . . 16425 6 3 'anchor RNA' 'natural abundance' . . 2 $anchor_RNA . . 0.5 . . mM 0.02 . . . 16425 6 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16425 6 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16425 6 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16425 6 7 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 16425 6 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 16425 _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' 160 5 mM 16425 1 pH 7 0.03 pH 16425 1 pressure 1 . atm 16425 1 temperature 298 0.1 K 16425 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16425 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16425 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16425 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16425 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16425 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16425 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16425 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16425 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16425 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16425 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16425 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16425 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16425 5 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 16425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16425 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16425 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16425 _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 . 500 . . . 16425 1 2 spectrometer_2 Bruker Avance . 600 . . . 16425 1 3 spectrometer_3 Bruker Avance . 750 . . . 16425 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 16425 _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 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16425 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16425 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 8 '3D HNCO' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16425 1 9 '3D HNCA' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16425 1 10 '3D HNCACB' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 11 '3D HN(CO)CA' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16425 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16425 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16425 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16425 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16425 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16425 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 16425 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16425 1 H 1 water protons . . . . ppm 4.71 internal direct 1.000000000 . . . . . . . . . 16425 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16425 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 16425 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16425 1 5 '2D 1H-13C HSQC' . . . 16425 1 8 '3D HNCO' . . . 16425 1 9 '3D HNCA' . . . 16425 1 10 '3D HNCACB' . . . 16425 1 11 '3D HN(CO)CA' . . . 16425 1 12 '3D CBCA(CO)NH' . . . 16425 1 13 '3D HCCH-TOCSY' . . . 16425 1 14 '3D 1H-15N TOCSY' . . . 16425 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 ASN H H 1 8.213 0.020 . 1 . . . . 22 ASN H . 16425 1 2 . 1 1 1 1 ASN HA H 1 4.969 0.020 . 1 . . . . 22 ASN HA . 16425 1 3 . 1 1 1 1 ASN HB2 H 1 2.489 0.020 . 2 . . . . 22 ASN HB2 . 16425 1 4 . 1 1 1 1 ASN HB3 H 1 2.696 0.020 . 2 . . . . 22 ASN HB3 . 16425 1 5 . 1 1 1 1 ASN HD21 H 1 7.577 0.020 . 2 . . . . 22 ASN HD21 . 16425 1 6 . 1 1 1 1 ASN HD22 H 1 7.191 0.020 . 2 . . . . 22 ASN HD22 . 16425 1 7 . 1 1 1 1 ASN CA C 13 51.398 0.400 . 1 . . . . 22 ASN CA . 16425 1 8 . 1 1 1 1 ASN CB C 13 38.777 0.400 . 1 . . . . 22 ASN CB . 16425 1 9 . 1 1 1 1 ASN N N 15 121.109 0.400 . 1 . . . . 22 ASN N . 16425 1 10 . 1 1 1 1 ASN ND2 N 15 113.590 0.400 . 1 . . . . 22 ASN ND2 . 16425 1 11 . 1 1 2 2 PRO HA H 1 1.694 0.020 . 1 . . . . 23 PRO HA . 16425 1 12 . 1 1 2 2 PRO HB2 H 1 1.865 0.020 . 2 . . . . 23 PRO HB2 . 16425 1 13 . 1 1 2 2 PRO HB3 H 1 1.399 0.020 . 2 . . . . 23 PRO HB3 . 16425 1 14 . 1 1 2 2 PRO HD2 H 1 3.261 0.020 . 2 . . . . 23 PRO HD2 . 16425 1 15 . 1 1 2 2 PRO HD3 H 1 3.612 0.020 . 2 . . . . 23 PRO HD3 . 16425 1 16 . 1 1 2 2 PRO HG2 H 1 1.634 0.020 . 2 . . . . 23 PRO HG2 . 16425 1 17 . 1 1 2 2 PRO HG3 H 1 1.634 0.020 . 2 . . . . 23 PRO HG3 . 16425 1 18 . 1 1 2 2 PRO CA C 13 63.061 0.400 . 1 . . . . 23 PRO CA . 16425 1 19 . 1 1 2 2 PRO CD C 13 50.046 0.400 . 1 . . . . 23 PRO CD . 16425 1 20 . 1 1 3 3 PRO HA H 1 4.721 0.020 . 1 . . . . 24 PRO HA . 16425 1 21 . 1 1 3 3 PRO HB2 H 1 2.142 0.020 . 2 . . . . 24 PRO HB2 . 16425 1 22 . 1 1 3 3 PRO HB3 H 1 1.506 0.020 . 2 . . . . 24 PRO HB3 . 16425 1 23 . 1 1 3 3 PRO HD2 H 1 3.277 0.020 . 2 . . . . 24 PRO HD2 . 16425 1 24 . 1 1 3 3 PRO HD3 H 1 3.905 0.020 . 2 . . . . 24 PRO HD3 . 16425 1 25 . 1 1 3 3 PRO HG2 H 1 1.772 0.020 . 2 . . . . 24 PRO HG2 . 16425 1 26 . 1 1 3 3 PRO HG3 H 1 2.016 0.020 . 2 . . . . 24 PRO HG3 . 16425 1 27 . 1 1 3 3 PRO C C 13 175.498 0.400 . 1 . . . . 24 PRO C . 16425 1 28 . 1 1 3 3 PRO CA C 13 63.102 0.400 . 1 . . . . 24 PRO CA . 16425 1 29 . 1 1 3 3 PRO CD C 13 50.660 0.400 . 1 . . . . 24 PRO CD . 16425 1 30 . 1 1 4 4 SER H H 1 6.465 0.020 . 1 . . . . 25 SER H . 16425 1 31 . 1 1 4 4 SER HA H 1 4.455 0.020 . 1 . . . . 25 SER HA . 16425 1 32 . 1 1 4 4 SER HB2 H 1 3.801 0.020 . 2 . . . . 25 SER HB2 . 16425 1 33 . 1 1 4 4 SER HB3 H 1 4.011 0.020 . 2 . . . . 25 SER HB3 . 16425 1 34 . 1 1 4 4 SER C C 13 175.341 0.400 . 1 . . . . 25 SER C . 16425 1 35 . 1 1 4 4 SER CA C 13 54.993 0.400 . 1 . . . . 25 SER CA . 16425 1 36 . 1 1 4 4 SER CB C 13 64.823 0.400 . 1 . . . . 25 SER CB . 16425 1 37 . 1 1 4 4 SER N N 15 115.410 0.400 . 1 . . . . 25 SER N . 16425 1 38 . 1 1 5 5 ARG H H 1 9.088 0.020 . 1 . . . . 26 ARG H . 16425 1 39 . 1 1 5 5 ARG HA H 1 4.023 0.020 . 1 . . . . 26 ARG HA . 16425 1 40 . 1 1 5 5 ARG HB2 H 1 1.727 0.020 . 2 . . . . 26 ARG HB2 . 16425 1 41 . 1 1 5 5 ARG HB3 H 1 1.820 0.020 . 2 . . . . 26 ARG HB3 . 16425 1 42 . 1 1 5 5 ARG HD2 H 1 3.171 0.020 . 2 . . . . 26 ARG HD2 . 16425 1 43 . 1 1 5 5 ARG HD3 H 1 3.171 0.020 . 2 . . . . 26 ARG HD3 . 16425 1 44 . 1 1 5 5 ARG HG2 H 1 1.513 0.020 . 2 . . . . 26 ARG HG2 . 16425 1 45 . 1 1 5 5 ARG HG3 H 1 1.648 0.020 . 2 . . . . 26 ARG HG3 . 16425 1 46 . 1 1 5 5 ARG C C 13 175.341 0.400 . 1 . . . . 26 ARG C . 16425 1 47 . 1 1 5 5 ARG CA C 13 59.169 0.400 . 1 . . . . 26 ARG CA . 16425 1 48 . 1 1 5 5 ARG CB C 13 31.157 0.400 . 1 . . . . 26 ARG CB . 16425 1 49 . 1 1 5 5 ARG CD C 13 43.389 0.400 . 1 . . . . 26 ARG CD . 16425 1 50 . 1 1 5 5 ARG CG C 13 27.317 0.400 . 1 . . . . 26 ARG CG . 16425 1 51 . 1 1 5 5 ARG N N 15 123.698 0.400 . 1 . . . . 26 ARG N . 16425 1 52 . 1 1 6 6 VAL H H 1 8.642 0.020 . 1 . . . . 27 VAL H . 16425 1 53 . 1 1 6 6 VAL HA H 1 5.111 0.020 . 1 . . . . 27 VAL HA . 16425 1 54 . 1 1 6 6 VAL HB H 1 2.009 0.020 . 1 . . . . 27 VAL HB . 16425 1 55 . 1 1 6 6 VAL HG11 H 1 0.676 0.020 . 2 . . . . 27 VAL HG1 . 16425 1 56 . 1 1 6 6 VAL HG12 H 1 0.676 0.020 . 2 . . . . 27 VAL HG1 . 16425 1 57 . 1 1 6 6 VAL HG13 H 1 0.676 0.020 . 2 . . . . 27 VAL HG1 . 16425 1 58 . 1 1 6 6 VAL HG21 H 1 0.857 0.020 . 2 . . . . 27 VAL HG2 . 16425 1 59 . 1 1 6 6 VAL HG22 H 1 0.857 0.020 . 2 . . . . 27 VAL HG2 . 16425 1 60 . 1 1 6 6 VAL HG23 H 1 0.857 0.020 . 2 . . . . 27 VAL HG2 . 16425 1 61 . 1 1 6 6 VAL C C 13 176.230 0.400 . 1 . . . . 27 VAL C . 16425 1 62 . 1 1 6 6 VAL CA C 13 60.589 0.400 . 1 . . . . 27 VAL CA . 16425 1 63 . 1 1 6 6 VAL CB C 13 31.871 0.400 . 1 . . . . 27 VAL CB . 16425 1 64 . 1 1 6 6 VAL CG1 C 13 21.310 0.400 . 1 . . . . 27 VAL CG1 . 16425 1 65 . 1 1 6 6 VAL CG2 C 13 22.628 0.400 . 1 . . . . 27 VAL CG2 . 16425 1 66 . 1 1 6 6 VAL N N 15 118.268 0.400 . 1 . . . . 27 VAL N . 16425 1 67 . 1 1 7 7 VAL H H 1 9.307 0.020 . 1 . . . . 28 VAL H . 16425 1 68 . 1 1 7 7 VAL HA H 1 5.065 0.020 . 1 . . . . 28 VAL HA . 16425 1 69 . 1 1 7 7 VAL HB H 1 2.192 0.020 . 1 . . . . 28 VAL HB . 16425 1 70 . 1 1 7 7 VAL HG11 H 1 0.817 0.020 . 2 . . . . 28 VAL HG1 . 16425 1 71 . 1 1 7 7 VAL HG12 H 1 0.817 0.020 . 2 . . . . 28 VAL HG1 . 16425 1 72 . 1 1 7 7 VAL HG13 H 1 0.817 0.020 . 2 . . . . 28 VAL HG1 . 16425 1 73 . 1 1 7 7 VAL HG21 H 1 0.862 0.020 . 2 . . . . 28 VAL HG2 . 16425 1 74 . 1 1 7 7 VAL HG22 H 1 0.862 0.020 . 2 . . . . 28 VAL HG2 . 16425 1 75 . 1 1 7 7 VAL HG23 H 1 0.862 0.020 . 2 . . . . 28 VAL HG2 . 16425 1 76 . 1 1 7 7 VAL C C 13 175.106 0.400 . 1 . . . . 28 VAL C . 16425 1 77 . 1 1 7 7 VAL CA C 13 58.399 0.400 . 1 . . . . 28 VAL CA . 16425 1 78 . 1 1 7 7 VAL CB C 13 33.675 0.400 . 1 . . . . 28 VAL CB . 16425 1 79 . 1 1 7 7 VAL CG1 C 13 21.700 0.400 . 1 . . . . 28 VAL CG1 . 16425 1 80 . 1 1 7 7 VAL CG2 C 13 20.868 0.400 . 1 . . . . 28 VAL CG2 . 16425 1 81 . 1 1 7 7 VAL N N 15 119.721 0.400 . 1 . . . . 28 VAL N . 16425 1 82 . 1 1 8 8 TYR H H 1 8.963 0.020 . 1 . . . . 29 TYR H . 16425 1 83 . 1 1 8 8 TYR HA H 1 4.772 0.020 . 1 . . . . 29 TYR HA . 16425 1 84 . 1 1 8 8 TYR HB2 H 1 2.462 0.020 . 2 . . . . 29 TYR HB2 . 16425 1 85 . 1 1 8 8 TYR HB3 H 1 2.684 0.020 . 2 . . . . 29 TYR HB3 . 16425 1 86 . 1 1 8 8 TYR HD1 H 1 7.258 0.020 . 1 . . . . 29 TYR HD1 . 16425 1 87 . 1 1 8 8 TYR HD2 H 1 7.258 0.020 . 1 . . . . 29 TYR HD2 . 16425 1 88 . 1 1 8 8 TYR HE1 H 1 6.865 0.020 . 1 . . . . 29 TYR HE1 . 16425 1 89 . 1 1 8 8 TYR HE2 H 1 6.865 0.020 . 1 . . . . 29 TYR HE2 . 16425 1 90 . 1 1 8 8 TYR C C 13 172.753 0.400 . 1 . . . . 29 TYR C . 16425 1 91 . 1 1 8 8 TYR CA C 13 55.814 0.400 . 1 . . . . 29 TYR CA . 16425 1 92 . 1 1 8 8 TYR CB C 13 40.314 0.400 . 1 . . . . 29 TYR CB . 16425 1 93 . 1 1 8 8 TYR N N 15 122.419 0.400 . 1 . . . . 29 TYR N . 16425 1 94 . 1 1 9 9 LEU H H 1 8.346 0.020 . 1 . . . . 30 LEU H . 16425 1 95 . 1 1 9 9 LEU HA H 1 4.964 0.020 . 1 . . . . 30 LEU HA . 16425 1 96 . 1 1 9 9 LEU HB2 H 1 1.531 0.020 . 2 . . . . 30 LEU HB2 . 16425 1 97 . 1 1 9 9 LEU HB3 H 1 0.694 0.020 . 2 . . . . 30 LEU HB3 . 16425 1 98 . 1 1 9 9 LEU HD11 H 1 0.502 0.020 . 2 . . . . 30 LEU HD1 . 16425 1 99 . 1 1 9 9 LEU HD12 H 1 0.502 0.020 . 2 . . . . 30 LEU HD1 . 16425 1 100 . 1 1 9 9 LEU HD13 H 1 0.502 0.020 . 2 . . . . 30 LEU HD1 . 16425 1 101 . 1 1 9 9 LEU HD21 H 1 0.864 0.020 . 2 . . . . 30 LEU HD2 . 16425 1 102 . 1 1 9 9 LEU HD22 H 1 0.864 0.020 . 2 . . . . 30 LEU HD2 . 16425 1 103 . 1 1 9 9 LEU HD23 H 1 0.864 0.020 . 2 . . . . 30 LEU HD2 . 16425 1 104 . 1 1 9 9 LEU HG H 1 1.145 0.020 . 1 . . . . 30 LEU HG . 16425 1 105 . 1 1 9 9 LEU C C 13 174.060 0.400 . 1 . . . . 30 LEU C . 16425 1 106 . 1 1 9 9 LEU CA C 13 53.214 0.400 . 1 . . . . 30 LEU CA . 16425 1 107 . 1 1 9 9 LEU CB C 13 46.320 0.400 . 1 . . . . 30 LEU CB . 16425 1 108 . 1 1 9 9 LEU CD1 C 13 25.793 0.400 . 1 . . . . 30 LEU CD1 . 16425 1 109 . 1 1 9 9 LEU CD2 C 13 26.558 0.400 . 1 . . . . 30 LEU CD2 . 16425 1 110 . 1 1 9 9 LEU N N 15 128.657 0.400 . 1 . . . . 30 LEU N . 16425 1 111 . 1 1 10 10 GLY H H 1 9.112 0.020 . 1 . . . . 31 GLY H . 16425 1 112 . 1 1 10 10 GLY HA2 H 1 4.902 0.020 . 2 . . . . 31 GLY HA2 . 16425 1 113 . 1 1 10 10 GLY HA3 H 1 3.540 0.020 . 2 . . . . 31 GLY HA3 . 16425 1 114 . 1 1 10 10 GLY CA C 13 43.192 0.400 . 1 . . . . 31 GLY CA . 16425 1 115 . 1 1 10 10 GLY N N 15 110.895 0.400 . 1 . . . . 31 GLY N . 16425 1 116 . 1 1 11 11 SER H H 1 7.868 0.020 . 1 . . . . 32 SER H . 16425 1 117 . 1 1 11 11 SER HA H 1 4.661 0.020 . 1 . . . . 32 SER HA . 16425 1 118 . 1 1 11 11 SER HB2 H 1 3.524 0.020 . 2 . . . . 32 SER HB2 . 16425 1 119 . 1 1 11 11 SER HB3 H 1 3.817 0.020 . 2 . . . . 32 SER HB3 . 16425 1 120 . 1 1 11 11 SER C C 13 174.531 0.400 . 1 . . . . 32 SER C . 16425 1 121 . 1 1 11 11 SER CA C 13 58.108 0.400 . 1 . . . . 32 SER CA . 16425 1 122 . 1 1 11 11 SER CB C 13 63.234 0.400 . 1 . . . . 32 SER CB . 16425 1 123 . 1 1 12 12 ILE H H 1 8.071 0.020 . 1 . . . . 33 ILE H . 16425 1 124 . 1 1 12 12 ILE HA H 1 3.608 0.020 . 1 . . . . 33 ILE HA . 16425 1 125 . 1 1 12 12 ILE HB H 1 1.050 0.020 . 1 . . . . 33 ILE HB . 16425 1 126 . 1 1 12 12 ILE HD11 H 1 0.346 0.020 . 1 . . . . 33 ILE HD1 . 16425 1 127 . 1 1 12 12 ILE HD12 H 1 0.346 0.020 . 1 . . . . 33 ILE HD1 . 16425 1 128 . 1 1 12 12 ILE HD13 H 1 0.346 0.020 . 1 . . . . 33 ILE HD1 . 16425 1 129 . 1 1 12 12 ILE HG12 H 1 1.288 0.020 . 2 . . . . 33 ILE HG12 . 16425 1 130 . 1 1 12 12 ILE HG13 H 1 1.288 0.020 . 2 . . . . 33 ILE HG13 . 16425 1 131 . 1 1 12 12 ILE HG21 H 1 0.801 0.020 . 1 . . . . 33 ILE HG2 . 16425 1 132 . 1 1 12 12 ILE HG22 H 1 0.801 0.020 . 1 . . . . 33 ILE HG2 . 16425 1 133 . 1 1 12 12 ILE HG23 H 1 0.801 0.020 . 1 . . . . 33 ILE HG2 . 16425 1 134 . 1 1 12 12 ILE CA C 13 59.175 0.400 . 1 . . . . 33 ILE CA . 16425 1 135 . 1 1 12 12 ILE CB C 13 40.020 0.400 . 1 . . . . 33 ILE CB . 16425 1 136 . 1 1 12 12 ILE CD1 C 13 14.160 0.400 . 1 . . . . 33 ILE CD1 . 16425 1 137 . 1 1 12 12 ILE N N 15 116.869 0.400 . 1 . . . . 33 ILE N . 16425 1 138 . 1 1 13 13 PRO HA H 1 4.428 0.020 . 1 . . . . 34 PRO HA . 16425 1 139 . 1 1 13 13 PRO HB2 H 1 1.783 0.020 . 2 . . . . 34 PRO HB2 . 16425 1 140 . 1 1 13 13 PRO HB3 H 1 2.226 0.020 . 2 . . . . 34 PRO HB3 . 16425 1 141 . 1 1 13 13 PRO HD2 H 1 3.568 0.020 . 2 . . . . 34 PRO HD2 . 16425 1 142 . 1 1 13 13 PRO HD3 H 1 3.698 0.020 . 2 . . . . 34 PRO HD3 . 16425 1 143 . 1 1 13 13 PRO HG2 H 1 1.937 0.020 . 2 . . . . 34 PRO HG2 . 16425 1 144 . 1 1 13 13 PRO HG3 H 1 2.046 0.020 . 2 . . . . 34 PRO HG3 . 16425 1 145 . 1 1 13 13 PRO C C 13 179.392 0.400 . 1 . . . . 34 PRO C . 16425 1 146 . 1 1 13 13 PRO CA C 13 63.114 0.400 . 1 . . . . 34 PRO CA . 16425 1 147 . 1 1 13 13 PRO CB C 13 31.762 0.400 . 1 . . . . 34 PRO CB . 16425 1 148 . 1 1 13 13 PRO CD C 13 50.556 0.400 . 1 . . . . 34 PRO CD . 16425 1 149 . 1 1 13 13 PRO CG C 13 28.042 0.400 . 1 . . . . 34 PRO CG . 16425 1 150 . 1 1 14 14 TYR H H 1 8.226 0.020 . 1 . . . . 35 TYR H . 16425 1 151 . 1 1 14 14 TYR HA H 1 4.220 0.020 . 1 . . . . 35 TYR HA . 16425 1 152 . 1 1 14 14 TYR HB2 H 1 2.824 0.020 . 2 . . . . 35 TYR HB2 . 16425 1 153 . 1 1 14 14 TYR HB3 H 1 3.215 0.020 . 2 . . . . 35 TYR HB3 . 16425 1 154 . 1 1 14 14 TYR HD1 H 1 6.881 0.020 . 1 . . . . 35 TYR HD1 . 16425 1 155 . 1 1 14 14 TYR HD2 H 1 6.881 0.020 . 1 . . . . 35 TYR HD2 . 16425 1 156 . 1 1 14 14 TYR HE1 H 1 6.365 0.020 . 1 . . . . 35 TYR HE1 . 16425 1 157 . 1 1 14 14 TYR HE2 H 1 6.365 0.020 . 1 . . . . 35 TYR HE2 . 16425 1 158 . 1 1 14 14 TYR C C 13 175.158 0.400 . 1 . . . . 35 TYR C . 16425 1 159 . 1 1 14 14 TYR CA C 13 59.383 0.400 . 1 . . . . 35 TYR CA . 16425 1 160 . 1 1 14 14 TYR CB C 13 37.603 0.400 . 1 . . . . 35 TYR CB . 16425 1 161 . 1 1 14 14 TYR N N 15 123.073 0.400 . 1 . . . . 35 TYR N . 16425 1 162 . 1 1 15 15 ASP H H 1 8.194 0.020 . 1 . . . . 36 ASP H . 16425 1 163 . 1 1 15 15 ASP HA H 1 4.477 0.020 . 1 . . . . 36 ASP HA . 16425 1 164 . 1 1 15 15 ASP HB2 H 1 2.520 0.020 . 2 . . . . 36 ASP HB2 . 16425 1 165 . 1 1 15 15 ASP HB3 H 1 2.825 0.020 . 2 . . . . 36 ASP HB3 . 16425 1 166 . 1 1 15 15 ASP C C 13 177.223 0.400 . 1 . . . . 36 ASP C . 16425 1 167 . 1 1 15 15 ASP CA C 13 53.332 0.400 . 1 . . . . 36 ASP CA . 16425 1 168 . 1 1 15 15 ASP CB C 13 40.083 0.400 . 1 . . . . 36 ASP CB . 16425 1 169 . 1 1 15 15 ASP N N 15 113.332 0.400 . 1 . . . . 36 ASP N . 16425 1 170 . 1 1 16 16 GLN H H 1 7.257 0.020 . 1 . . . . 37 GLN H . 16425 1 171 . 1 1 16 16 GLN HA H 1 4.491 0.020 . 1 . . . . 37 GLN HA . 16425 1 172 . 1 1 16 16 GLN HB2 H 1 1.752 0.020 . 2 . . . . 37 GLN HB2 . 16425 1 173 . 1 1 16 16 GLN HB3 H 1 1.923 0.020 . 2 . . . . 37 GLN HB3 . 16425 1 174 . 1 1 16 16 GLN HE21 H 1 6.252 0.020 . 2 . . . . 37 GLN HE21 . 16425 1 175 . 1 1 16 16 GLN HE22 H 1 7.169 0.020 . 2 . . . . 37 GLN HE22 . 16425 1 176 . 1 1 16 16 GLN HG2 H 1 2.204 0.020 . 2 . . . . 37 GLN HG2 . 16425 1 177 . 1 1 16 16 GLN HG3 H 1 1.867 0.020 . 2 . . . . 37 GLN HG3 . 16425 1 178 . 1 1 16 16 GLN C C 13 177.327 0.400 . 1 . . . . 37 GLN C . 16425 1 179 . 1 1 16 16 GLN CA C 13 55.096 0.400 . 1 . . . . 37 GLN CA . 16425 1 180 . 1 1 16 16 GLN CB C 13 28.113 0.400 . 1 . . . . 37 GLN CB . 16425 1 181 . 1 1 16 16 GLN CG C 13 34.367 0.400 . 1 . . . . 37 GLN CG . 16425 1 182 . 1 1 16 16 GLN N N 15 118.545 0.400 . 1 . . . . 37 GLN N . 16425 1 183 . 1 1 16 16 GLN NE2 N 15 110.220 0.400 . 1 . . . . 37 GLN NE2 . 16425 1 184 . 1 1 17 17 THR H H 1 8.923 0.020 . 1 . . . . 38 THR H . 16425 1 185 . 1 1 17 17 THR HA H 1 4.432 0.020 . 1 . . . . 38 THR HA . 16425 1 186 . 1 1 17 17 THR HB H 1 4.721 0.020 . 1 . . . . 38 THR HB . 16425 1 187 . 1 1 17 17 THR HG21 H 1 1.270 0.020 . 1 . . . . 38 THR HG2 . 16425 1 188 . 1 1 17 17 THR HG22 H 1 1.270 0.020 . 1 . . . . 38 THR HG2 . 16425 1 189 . 1 1 17 17 THR HG23 H 1 1.270 0.020 . 1 . . . . 38 THR HG2 . 16425 1 190 . 1 1 17 17 THR C C 13 175.576 0.400 . 1 . . . . 38 THR C . 16425 1 191 . 1 1 17 17 THR CA C 13 60.200 0.400 . 1 . . . . 38 THR CA . 16425 1 192 . 1 1 17 17 THR CB C 13 71.806 0.400 . 1 . . . . 38 THR CB . 16425 1 193 . 1 1 17 17 THR CG2 C 13 21.667 0.400 . 1 . . . . 38 THR CG2 . 16425 1 194 . 1 1 17 17 THR N N 15 114.697 0.400 . 1 . . . . 38 THR N . 16425 1 195 . 1 1 18 18 GLU H H 1 9.200 0.020 . 1 . . . . 39 GLU H . 16425 1 196 . 1 1 18 18 GLU HA H 1 3.826 0.020 . 1 . . . . 39 GLU HA . 16425 1 197 . 1 1 18 18 GLU HB2 H 1 2.130 0.020 . 2 . . . . 39 GLU HB2 . 16425 1 198 . 1 1 18 18 GLU HB3 H 1 2.000 0.020 . 2 . . . . 39 GLU HB3 . 16425 1 199 . 1 1 18 18 GLU HG2 H 1 2.303 0.020 . 2 . . . . 39 GLU HG2 . 16425 1 200 . 1 1 18 18 GLU HG3 H 1 2.254 0.020 . 2 . . . . 39 GLU HG3 . 16425 1 201 . 1 1 18 18 GLU C C 13 178.242 0.400 . 1 . . . . 39 GLU C . 16425 1 202 . 1 1 18 18 GLU CA C 13 60.217 0.400 . 1 . . . . 39 GLU CA . 16425 1 203 . 1 1 18 18 GLU CB C 13 29.245 0.400 . 1 . . . . 39 GLU CB . 16425 1 204 . 1 1 18 18 GLU N N 15 120.339 0.400 . 1 . . . . 39 GLU N . 16425 1 205 . 1 1 19 19 GLU H H 1 8.485 0.020 . 1 . . . . 40 GLU H . 16425 1 206 . 1 1 19 19 GLU HA H 1 3.843 0.020 . 1 . . . . 40 GLU HA . 16425 1 207 . 1 1 19 19 GLU HB2 H 1 1.855 0.020 . 2 . . . . 40 GLU HB2 . 16425 1 208 . 1 1 19 19 GLU HB3 H 1 1.855 0.020 . 2 . . . . 40 GLU HB3 . 16425 1 209 . 1 1 19 19 GLU HG2 H 1 2.297 0.020 . 2 . . . . 40 GLU HG2 . 16425 1 210 . 1 1 19 19 GLU HG3 H 1 2.297 0.020 . 2 . . . . 40 GLU HG3 . 16425 1 211 . 1 1 19 19 GLU C C 13 179.366 0.400 . 1 . . . . 40 GLU C . 16425 1 212 . 1 1 19 19 GLU CA C 13 59.742 0.400 . 1 . . . . 40 GLU CA . 16425 1 213 . 1 1 19 19 GLU CB C 13 28.718 0.400 . 1 . . . . 40 GLU CB . 16425 1 214 . 1 1 19 19 GLU N N 15 117.097 0.400 . 1 . . . . 40 GLU N . 16425 1 215 . 1 1 20 20 GLN H H 1 7.525 0.020 . 1 . . . . 41 GLN H . 16425 1 216 . 1 1 20 20 GLN HA H 1 4.017 0.020 . 1 . . . . 41 GLN HA . 16425 1 217 . 1 1 20 20 GLN HB2 H 1 2.021 0.020 . 2 . . . . 41 GLN HB2 . 16425 1 218 . 1 1 20 20 GLN HB3 H 1 2.295 0.020 . 2 . . . . 41 GLN HB3 . 16425 1 219 . 1 1 20 20 GLN HE21 H 1 7.344 0.020 . 2 . . . . 41 GLN HE21 . 16425 1 220 . 1 1 20 20 GLN HE22 H 1 6.595 0.020 . 2 . . . . 41 GLN HE22 . 16425 1 221 . 1 1 20 20 GLN HG2 H 1 2.198 0.020 . 2 . . . . 41 GLN HG2 . 16425 1 222 . 1 1 20 20 GLN HG3 H 1 2.281 0.020 . 2 . . . . 41 GLN HG3 . 16425 1 223 . 1 1 20 20 GLN C C 13 180.333 0.400 . 1 . . . . 41 GLN C . 16425 1 224 . 1 1 20 20 GLN CA C 13 59.065 0.400 . 1 . . . . 41 GLN CA . 16425 1 225 . 1 1 20 20 GLN CB C 13 28.743 0.400 . 1 . . . . 41 GLN CB . 16425 1 226 . 1 1 20 20 GLN CG C 13 37.559 0.400 . 1 . . . . 41 GLN CG . 16425 1 227 . 1 1 20 20 GLN N N 15 118.500 0.400 . 1 . . . . 41 GLN N . 16425 1 228 . 1 1 20 20 GLN NE2 N 15 110.355 0.400 . 1 . . . . 41 GLN NE2 . 16425 1 229 . 1 1 21 21 ILE H H 1 8.015 0.020 . 1 . . . . 42 ILE H . 16425 1 230 . 1 1 21 21 ILE HA H 1 3.767 0.020 . 1 . . . . 42 ILE HA . 16425 1 231 . 1 1 21 21 ILE HB H 1 1.991 0.020 . 1 . . . . 42 ILE HB . 16425 1 232 . 1 1 21 21 ILE HD11 H 1 0.458 0.020 . 1 . . . . 42 ILE HD1 . 16425 1 233 . 1 1 21 21 ILE HD12 H 1 0.458 0.020 . 1 . . . . 42 ILE HD1 . 16425 1 234 . 1 1 21 21 ILE HD13 H 1 0.458 0.020 . 1 . . . . 42 ILE HD1 . 16425 1 235 . 1 1 21 21 ILE HG12 H 1 1.046 0.020 . 2 . . . . 42 ILE HG12 . 16425 1 236 . 1 1 21 21 ILE HG13 H 1 1.563 0.020 . 2 . . . . 42 ILE HG13 . 16425 1 237 . 1 1 21 21 ILE HG21 H 1 0.572 0.020 . 1 . . . . 42 ILE HG2 . 16425 1 238 . 1 1 21 21 ILE HG22 H 1 0.572 0.020 . 1 . . . . 42 ILE HG2 . 16425 1 239 . 1 1 21 21 ILE HG23 H 1 0.572 0.020 . 1 . . . . 42 ILE HG2 . 16425 1 240 . 1 1 21 21 ILE C C 13 178.373 0.400 . 1 . . . . 42 ILE C . 16425 1 241 . 1 1 21 21 ILE CA C 13 61.980 0.400 . 1 . . . . 42 ILE CA . 16425 1 242 . 1 1 21 21 ILE CB C 13 35.003 0.400 . 1 . . . . 42 ILE CB . 16425 1 243 . 1 1 21 21 ILE CD1 C 13 9.212 0.400 . 1 . . . . 42 ILE CD1 . 16425 1 244 . 1 1 21 21 ILE CG1 C 13 27.193 0.400 . 1 . . . . 42 ILE CG1 . 16425 1 245 . 1 1 21 21 ILE CG2 C 13 18.421 0.400 . 1 . . . . 42 ILE CG2 . 16425 1 246 . 1 1 21 21 ILE N N 15 120.915 0.400 . 1 . . . . 42 ILE N . 16425 1 247 . 1 1 22 22 LEU H H 1 8.796 0.020 . 1 . . . . 43 LEU H . 16425 1 248 . 1 1 22 22 LEU HA H 1 5.453 0.020 . 1 . . . . 43 LEU HA . 16425 1 249 . 1 1 22 22 LEU HB2 H 1 2.361 0.020 . 2 . . . . 43 LEU HB2 . 16425 1 250 . 1 1 22 22 LEU HB3 H 1 2.180 0.020 . 2 . . . . 43 LEU HB3 . 16425 1 251 . 1 1 22 22 LEU HD11 H 1 0.864 0.020 . 2 . . . . 43 LEU HD1 . 16425 1 252 . 1 1 22 22 LEU HD12 H 1 0.864 0.020 . 2 . . . . 43 LEU HD1 . 16425 1 253 . 1 1 22 22 LEU HD13 H 1 0.864 0.020 . 2 . . . . 43 LEU HD1 . 16425 1 254 . 1 1 22 22 LEU HD21 H 1 0.864 0.020 . 2 . . . . 43 LEU HD2 . 16425 1 255 . 1 1 22 22 LEU HD22 H 1 0.864 0.020 . 2 . . . . 43 LEU HD2 . 16425 1 256 . 1 1 22 22 LEU HD23 H 1 0.864 0.020 . 2 . . . . 43 LEU HD2 . 16425 1 257 . 1 1 22 22 LEU HG H 1 2.109 0.020 . 1 . . . . 43 LEU HG . 16425 1 258 . 1 1 22 22 LEU C C 13 180.046 0.400 . 1 . . . . 43 LEU C . 16425 1 259 . 1 1 22 22 LEU CA C 13 56.927 0.400 . 1 . . . . 43 LEU CA . 16425 1 260 . 1 1 22 22 LEU CD1 C 13 24.381 0.400 . 1 . . . . 43 LEU CD1 . 16425 1 261 . 1 1 22 22 LEU N N 15 123.697 0.400 . 1 . . . . 43 LEU N . 16425 1 262 . 1 1 23 23 ASP H H 1 7.973 0.020 . 1 . . . . 44 ASP H . 16425 1 263 . 1 1 23 23 ASP HA H 1 4.202 0.020 . 1 . . . . 44 ASP HA . 16425 1 264 . 1 1 23 23 ASP HB2 H 1 2.667 0.020 . 2 . . . . 44 ASP HB2 . 16425 1 265 . 1 1 23 23 ASP C C 13 178.478 0.400 . 1 . . . . 44 ASP C . 16425 1 266 . 1 1 23 23 ASP CA C 13 57.065 0.400 . 1 . . . . 44 ASP CA . 16425 1 267 . 1 1 23 23 ASP N N 15 120.572 0.400 . 1 . . . . 44 ASP N . 16425 1 268 . 1 1 24 24 LEU H H 1 7.506 0.020 . 1 . . . . 45 LEU H . 16425 1 269 . 1 1 24 24 LEU HA H 1 3.994 0.020 . 1 . . . . 45 LEU HA . 16425 1 270 . 1 1 24 24 LEU HB2 H 1 1.568 0.020 . 2 . . . . 45 LEU HB2 . 16425 1 271 . 1 1 24 24 LEU HB3 H 1 1.891 0.020 . 2 . . . . 45 LEU HB3 . 16425 1 272 . 1 1 24 24 LEU HD11 H 1 0.585 0.020 . 2 . . . . 45 LEU HD1 . 16425 1 273 . 1 1 24 24 LEU HD12 H 1 0.585 0.020 . 2 . . . . 45 LEU HD1 . 16425 1 274 . 1 1 24 24 LEU HD13 H 1 0.585 0.020 . 2 . . . . 45 LEU HD1 . 16425 1 275 . 1 1 24 24 LEU HD21 H 1 0.536 0.020 . 2 . . . . 45 LEU HD2 . 16425 1 276 . 1 1 24 24 LEU HD22 H 1 0.536 0.020 . 2 . . . . 45 LEU HD2 . 16425 1 277 . 1 1 24 24 LEU HD23 H 1 0.536 0.020 . 2 . . . . 45 LEU HD2 . 16425 1 278 . 1 1 24 24 LEU HG H 1 1.270 0.020 . 1 . . . . 45 LEU HG . 16425 1 279 . 1 1 24 24 LEU C C 13 179.915 0.400 . 1 . . . . 45 LEU C . 16425 1 280 . 1 1 24 24 LEU CA C 13 58.272 0.400 . 1 . . . . 45 LEU CA . 16425 1 281 . 1 1 24 24 LEU CB C 13 42.305 0.400 . 1 . . . . 45 LEU CB . 16425 1 282 . 1 1 24 24 LEU CD1 C 13 26.392 0.400 . 1 . . . . 45 LEU CD1 . 16425 1 283 . 1 1 24 24 LEU CD2 C 13 23.353 0.400 . 1 . . . . 45 LEU CD2 . 16425 1 284 . 1 1 24 24 LEU CG C 13 27.057 0.400 . 1 . . . . 45 LEU CG . 16425 1 285 . 1 1 24 24 LEU N N 15 119.616 0.400 . 1 . . . . 45 LEU N . 16425 1 286 . 1 1 25 25 CYS H H 1 8.258 0.020 . 1 . . . . 46 CYS H . 16425 1 287 . 1 1 25 25 CYS HA H 1 4.034 0.020 . 1 . . . . 46 CYS HA . 16425 1 288 . 1 1 25 25 CYS HB2 H 1 2.556 0.020 . 2 . . . . 46 CYS HB2 . 16425 1 289 . 1 1 25 25 CYS HB3 H 1 2.796 0.020 . 2 . . . . 46 CYS HB3 . 16425 1 290 . 1 1 25 25 CYS C C 13 177.092 0.400 . 1 . . . . 46 CYS C . 16425 1 291 . 1 1 25 25 CYS CA C 13 64.226 0.400 . 1 . . . . 46 CYS CA . 16425 1 292 . 1 1 25 25 CYS CB C 13 27.390 0.400 . 1 . . . . 46 CYS CB . 16425 1 293 . 1 1 25 25 CYS N N 15 114.285 0.400 . 1 . . . . 46 CYS N . 16425 1 294 . 1 1 26 26 SER H H 1 8.636 0.020 . 1 . . . . 47 SER H . 16425 1 295 . 1 1 26 26 SER HA H 1 4.820 0.020 . 1 . . . . 47 SER HA . 16425 1 296 . 1 1 26 26 SER HB2 H 1 3.848 0.020 . 2 . . . . 47 SER HB2 . 16425 1 297 . 1 1 26 26 SER HB3 H 1 3.992 0.020 . 2 . . . . 47 SER HB3 . 16425 1 298 . 1 1 26 26 SER C C 13 175.550 0.400 . 1 . . . . 47 SER C . 16425 1 299 . 1 1 26 26 SER CA C 13 61.056 0.400 . 1 . . . . 47 SER CA . 16425 1 300 . 1 1 26 26 SER CB C 13 63.095 0.400 . 1 . . . . 47 SER CB . 16425 1 301 . 1 1 26 26 SER N N 15 116.197 0.400 . 1 . . . . 47 SER N . 16425 1 302 . 1 1 27 27 ASN H H 1 7.264 0.020 . 1 . . . . 48 ASN H . 16425 1 303 . 1 1 27 27 ASN HA H 1 4.472 0.020 . 1 . . . . 48 ASN HA . 16425 1 304 . 1 1 27 27 ASN HB2 H 1 2.801 0.020 . 2 . . . . 48 ASN HB2 . 16425 1 305 . 1 1 27 27 ASN HB3 H 1 2.736 0.020 . 2 . . . . 48 ASN HB3 . 16425 1 306 . 1 1 27 27 ASN HD21 H 1 7.422 0.020 . 2 . . . . 48 ASN HD21 . 16425 1 307 . 1 1 27 27 ASN HD22 H 1 6.915 0.020 . 2 . . . . 48 ASN HD22 . 16425 1 308 . 1 1 27 27 ASN C C 13 176.308 0.400 . 1 . . . . 48 ASN C . 16425 1 309 . 1 1 27 27 ASN CA C 13 54.398 0.400 . 1 . . . . 48 ASN CA . 16425 1 310 . 1 1 27 27 ASN CB C 13 38.808 0.400 . 1 . . . . 48 ASN CB . 16425 1 311 . 1 1 27 27 ASN N N 15 116.895 0.400 . 1 . . . . 48 ASN N . 16425 1 312 . 1 1 27 27 ASN ND2 N 15 113.725 0.400 . 1 . . . . 48 ASN ND2 . 16425 1 313 . 1 1 28 28 VAL H H 1 7.688 0.020 . 1 . . . . 49 VAL H . 16425 1 314 . 1 1 28 28 VAL HA H 1 3.897 0.020 . 1 . . . . 49 VAL HA . 16425 1 315 . 1 1 28 28 VAL HB H 1 2.327 0.020 . 1 . . . . 49 VAL HB . 16425 1 316 . 1 1 28 28 VAL HG11 H 1 0.810 0.020 . 2 . . . . 49 VAL HG1 . 16425 1 317 . 1 1 28 28 VAL HG12 H 1 0.810 0.020 . 2 . . . . 49 VAL HG1 . 16425 1 318 . 1 1 28 28 VAL HG13 H 1 0.810 0.020 . 2 . . . . 49 VAL HG1 . 16425 1 319 . 1 1 28 28 VAL HG21 H 1 0.566 0.020 . 2 . . . . 49 VAL HG2 . 16425 1 320 . 1 1 28 28 VAL HG22 H 1 0.566 0.020 . 2 . . . . 49 VAL HG2 . 16425 1 321 . 1 1 28 28 VAL HG23 H 1 0.566 0.020 . 2 . . . . 49 VAL HG2 . 16425 1 322 . 1 1 28 28 VAL C C 13 176.491 0.400 . 1 . . . . 49 VAL C . 16425 1 323 . 1 1 28 28 VAL CA C 13 63.739 0.400 . 1 . . . . 49 VAL CA . 16425 1 324 . 1 1 28 28 VAL CB C 13 31.939 0.400 . 1 . . . . 49 VAL CB . 16425 1 325 . 1 1 28 28 VAL CG1 C 13 21.174 0.400 . 1 . . . . 49 VAL CG1 . 16425 1 326 . 1 1 28 28 VAL CG2 C 13 22.156 0.400 . 1 . . . . 49 VAL CG2 . 16425 1 327 . 1 1 28 28 VAL N N 15 117.363 0.400 . 1 . . . . 49 VAL N . 16425 1 328 . 1 1 29 29 GLY H H 1 7.890 0.020 . 1 . . . . 50 GLY H . 16425 1 329 . 1 1 29 29 GLY N N 15 107.067 0.400 . 1 . . . . 50 GLY N . 16425 1 330 . 1 1 30 30 PRO HA H 1 4.420 0.020 . 1 . . . . 51 PRO HA . 16425 1 331 . 1 1 30 30 PRO HB2 H 1 1.785 0.020 . 2 . . . . 51 PRO HB2 . 16425 1 332 . 1 1 30 30 PRO HB3 H 1 2.221 0.020 . 2 . . . . 51 PRO HB3 . 16425 1 333 . 1 1 30 30 PRO C C 13 176.752 0.400 . 1 . . . . 51 PRO C . 16425 1 334 . 1 1 31 31 VAL H H 1 8.604 0.020 . 1 . . . . 52 VAL H . 16425 1 335 . 1 1 31 31 VAL HA H 1 3.612 0.020 . 1 . . . . 52 VAL HA . 16425 1 336 . 1 1 31 31 VAL HB H 1 1.660 0.020 . 1 . . . . 52 VAL HB . 16425 1 337 . 1 1 31 31 VAL HG11 H 1 0.480 0.020 . 2 . . . . 52 VAL HG1 . 16425 1 338 . 1 1 31 31 VAL HG12 H 1 0.480 0.020 . 2 . . . . 52 VAL HG1 . 16425 1 339 . 1 1 31 31 VAL HG13 H 1 0.480 0.020 . 2 . . . . 52 VAL HG1 . 16425 1 340 . 1 1 31 31 VAL HG21 H 1 0.377 0.020 . 2 . . . . 52 VAL HG2 . 16425 1 341 . 1 1 31 31 VAL HG22 H 1 0.377 0.020 . 2 . . . . 52 VAL HG2 . 16425 1 342 . 1 1 31 31 VAL HG23 H 1 0.377 0.020 . 2 . . . . 52 VAL HG2 . 16425 1 343 . 1 1 31 31 VAL C C 13 176.962 0.400 . 1 . . . . 52 VAL C . 16425 1 344 . 1 1 31 31 VAL CA C 13 62.167 0.400 . 1 . . . . 52 VAL CA . 16425 1 345 . 1 1 31 31 VAL CB C 13 33.564 0.400 . 1 . . . . 52 VAL CB . 16425 1 346 . 1 1 31 31 VAL CG1 C 13 22.146 0.400 . 1 . . . . 52 VAL CG1 . 16425 1 347 . 1 1 31 31 VAL CG2 C 13 21.893 0.400 . 1 . . . . 52 VAL CG2 . 16425 1 348 . 1 1 31 31 VAL N N 15 126.894 0.400 . 1 . . . . 52 VAL N . 16425 1 349 . 1 1 32 32 ILE H H 1 8.968 0.020 . 1 . . . . 53 ILE H . 16425 1 350 . 1 1 32 32 ILE HA H 1 4.148 0.020 . 1 . . . . 53 ILE HA . 16425 1 351 . 1 1 32 32 ILE HB H 1 1.562 0.020 . 1 . . . . 53 ILE HB . 16425 1 352 . 1 1 32 32 ILE HD11 H 1 0.660 0.020 . 1 . . . . 53 ILE HD1 . 16425 1 353 . 1 1 32 32 ILE HD12 H 1 0.660 0.020 . 1 . . . . 53 ILE HD1 . 16425 1 354 . 1 1 32 32 ILE HD13 H 1 0.660 0.020 . 1 . . . . 53 ILE HD1 . 16425 1 355 . 1 1 32 32 ILE HG12 H 1 0.886 0.020 . 2 . . . . 53 ILE HG12 . 16425 1 356 . 1 1 32 32 ILE HG13 H 1 1.170 0.020 . 2 . . . . 53 ILE HG13 . 16425 1 357 . 1 1 32 32 ILE HG21 H 1 0.732 0.020 . 1 . . . . 53 ILE HG2 . 16425 1 358 . 1 1 32 32 ILE HG22 H 1 0.732 0.020 . 1 . . . . 53 ILE HG2 . 16425 1 359 . 1 1 32 32 ILE HG23 H 1 0.732 0.020 . 1 . . . . 53 ILE HG2 . 16425 1 360 . 1 1 32 32 ILE C C 13 175.916 0.400 . 1 . . . . 53 ILE C . 16425 1 361 . 1 1 32 32 ILE CA C 13 60.808 0.400 . 1 . . . . 53 ILE CA . 16425 1 362 . 1 1 32 32 ILE CB C 13 38.342 0.400 . 1 . . . . 53 ILE CB . 16425 1 363 . 1 1 32 32 ILE CD1 C 13 11.359 0.400 . 1 . . . . 53 ILE CD1 . 16425 1 364 . 1 1 32 32 ILE CG1 C 13 26.564 0.400 . 1 . . . . 53 ILE CG1 . 16425 1 365 . 1 1 32 32 ILE CG2 C 13 17.186 0.400 . 1 . . . . 53 ILE CG2 . 16425 1 366 . 1 1 32 32 ILE N N 15 124.942 0.400 . 1 . . . . 53 ILE N . 16425 1 367 . 1 1 33 33 ASN H H 1 7.445 0.020 . 1 . . . . 54 ASN H . 16425 1 368 . 1 1 33 33 ASN HA H 1 4.766 0.020 . 1 . . . . 54 ASN HA . 16425 1 369 . 1 1 33 33 ASN HB2 H 1 2.411 0.020 . 2 . . . . 54 ASN HB2 . 16425 1 370 . 1 1 33 33 ASN HB3 H 1 2.621 0.020 . 2 . . . . 54 ASN HB3 . 16425 1 371 . 1 1 33 33 ASN HD21 H 1 7.763 0.020 . 2 . . . . 54 ASN HD21 . 16425 1 372 . 1 1 33 33 ASN HD22 H 1 6.802 0.020 . 2 . . . . 54 ASN HD22 . 16425 1 373 . 1 1 33 33 ASN C C 13 172.100 0.400 . 1 . . . . 54 ASN C . 16425 1 374 . 1 1 33 33 ASN CA C 13 51.989 0.400 . 1 . . . . 54 ASN CA . 16425 1 375 . 1 1 33 33 ASN CB C 13 42.773 0.400 . 1 . . . . 54 ASN CB . 16425 1 376 . 1 1 33 33 ASN N N 15 115.385 0.400 . 1 . . . . 54 ASN N . 16425 1 377 . 1 1 33 33 ASN ND2 N 15 113.760 0.400 . 1 . . . . 54 ASN ND2 . 16425 1 378 . 1 1 34 34 LEU H H 1 8.492 0.020 . 1 . . . . 55 LEU H . 16425 1 379 . 1 1 34 34 LEU HA H 1 4.780 0.020 . 1 . . . . 55 LEU HA . 16425 1 380 . 1 1 34 34 LEU HB2 H 1 1.571 0.020 . 2 . . . . 55 LEU HB2 . 16425 1 381 . 1 1 34 34 LEU HB3 H 1 1.334 0.020 . 2 . . . . 55 LEU HB3 . 16425 1 382 . 1 1 34 34 LEU HD11 H 1 0.640 0.020 . 2 . . . . 55 LEU HD1 . 16425 1 383 . 1 1 34 34 LEU HD12 H 1 0.640 0.020 . 2 . . . . 55 LEU HD1 . 16425 1 384 . 1 1 34 34 LEU HD13 H 1 0.640 0.020 . 2 . . . . 55 LEU HD1 . 16425 1 385 . 1 1 34 34 LEU HD21 H 1 0.704 0.020 . 2 . . . . 55 LEU HD2 . 16425 1 386 . 1 1 34 34 LEU HD22 H 1 0.704 0.020 . 2 . . . . 55 LEU HD2 . 16425 1 387 . 1 1 34 34 LEU HD23 H 1 0.704 0.020 . 2 . . . . 55 LEU HD2 . 16425 1 388 . 1 1 34 34 LEU HG H 1 1.442 0.020 . 1 . . . . 55 LEU HG . 16425 1 389 . 1 1 34 34 LEU C C 13 174.322 0.400 . 1 . . . . 55 LEU C . 16425 1 390 . 1 1 34 34 LEU CA C 13 55.360 0.400 . 1 . . . . 55 LEU CA . 16425 1 391 . 1 1 34 34 LEU CB C 13 45.146 0.400 . 1 . . . . 55 LEU CB . 16425 1 392 . 1 1 34 34 LEU CD1 C 13 27.009 0.400 . 1 . . . . 55 LEU CD1 . 16425 1 393 . 1 1 34 34 LEU CD2 C 13 25.895 0.400 . 1 . . . . 55 LEU CD2 . 16425 1 394 . 1 1 34 34 LEU CG C 13 27.800 0.400 . 1 . . . . 55 LEU CG . 16425 1 395 . 1 1 34 34 LEU N N 15 123.577 0.400 . 1 . . . . 55 LEU N . 16425 1 396 . 1 1 35 35 LYS H H 1 9.165 0.020 . 1 . . . . 56 LYS H . 16425 1 397 . 1 1 35 35 LYS HA H 1 4.661 0.020 . 1 . . . . 56 LYS HA . 16425 1 398 . 1 1 35 35 LYS HB2 H 1 1.855 0.020 . 2 . . . . 56 LYS HB2 . 16425 1 399 . 1 1 35 35 LYS HB3 H 1 1.855 0.020 . 2 . . . . 56 LYS HB3 . 16425 1 400 . 1 1 35 35 LYS HD2 H 1 1.657 0.020 . 2 . . . . 56 LYS HD2 . 16425 1 401 . 1 1 35 35 LYS HD3 H 1 1.657 0.020 . 2 . . . . 56 LYS HD3 . 16425 1 402 . 1 1 35 35 LYS HE2 H 1 2.959 0.020 . 2 . . . . 56 LYS HE2 . 16425 1 403 . 1 1 35 35 LYS HE3 H 1 2.959 0.020 . 2 . . . . 56 LYS HE3 . 16425 1 404 . 1 1 35 35 LYS HG2 H 1 1.358 0.020 . 2 . . . . 56 LYS HG2 . 16425 1 405 . 1 1 35 35 LYS HG3 H 1 1.294 0.020 . 2 . . . . 56 LYS HG3 . 16425 1 406 . 1 1 35 35 LYS C C 13 174.635 0.400 . 1 . . . . 56 LYS C . 16425 1 407 . 1 1 35 35 LYS CA C 13 54.918 0.400 . 1 . . . . 56 LYS CA . 16425 1 408 . 1 1 35 35 LYS CB C 13 35.615 0.400 . 1 . . . . 56 LYS CB . 16425 1 409 . 1 1 35 35 LYS CD C 13 29.422 0.400 . 1 . . . . 56 LYS CD . 16425 1 410 . 1 1 35 35 LYS CE C 13 42.209 0.400 . 1 . . . . 56 LYS CE . 16425 1 411 . 1 1 35 35 LYS CG C 13 24.577 0.400 . 1 . . . . 56 LYS CG . 16425 1 412 . 1 1 35 35 LYS N N 15 126.309 0.400 . 1 . . . . 56 LYS N . 16425 1 413 . 1 1 36 36 MET H H 1 9.063 0.020 . 1 . . . . 57 MET H . 16425 1 414 . 1 1 36 36 MET HA H 1 4.296 0.020 . 1 . . . . 57 MET HA . 16425 1 415 . 1 1 36 36 MET HB2 H 1 1.538 0.020 . 2 . . . . 57 MET HB2 . 16425 1 416 . 1 1 36 36 MET HB3 H 1 1.884 0.020 . 2 . . . . 57 MET HB3 . 16425 1 417 . 1 1 36 36 MET HE1 H 1 1.691 0.020 . 1 . . . . 57 MET HE . 16425 1 418 . 1 1 36 36 MET HE2 H 1 1.691 0.020 . 1 . . . . 57 MET HE . 16425 1 419 . 1 1 36 36 MET HE3 H 1 1.691 0.020 . 1 . . . . 57 MET HE . 16425 1 420 . 1 1 36 36 MET HG2 H 1 2.021 0.020 . 2 . . . . 57 MET HG2 . 16425 1 421 . 1 1 36 36 MET HG3 H 1 1.469 0.020 . 2 . . . . 57 MET HG3 . 16425 1 422 . 1 1 36 36 MET C C 13 174.714 0.400 . 1 . . . . 57 MET C . 16425 1 423 . 1 1 36 36 MET CA C 13 54.528 0.400 . 1 . . . . 57 MET CA . 16425 1 424 . 1 1 36 36 MET CB C 13 34.458 0.400 . 1 . . . . 57 MET CB . 16425 1 425 . 1 1 36 36 MET CE C 13 17.257 0.400 . 1 . . . . 57 MET CE . 16425 1 426 . 1 1 36 36 MET CG C 13 35.401 0.400 . 1 . . . . 57 MET CG . 16425 1 427 . 1 1 36 36 MET N N 15 127.038 0.400 . 1 . . . . 57 MET N . 16425 1 428 . 1 1 37 37 MET H H 1 7.553 0.020 . 1 . . . . 58 MET H . 16425 1 429 . 1 1 37 37 MET HA H 1 4.688 0.020 . 1 . . . . 58 MET HA . 16425 1 430 . 1 1 37 37 MET HB2 H 1 1.163 0.020 . 2 . . . . 58 MET HB2 . 16425 1 431 . 1 1 37 37 MET HB3 H 1 1.391 0.020 . 2 . . . . 58 MET HB3 . 16425 1 432 . 1 1 37 37 MET HE1 H 1 2.049 0.020 . 1 . . . . 58 MET HE . 16425 1 433 . 1 1 37 37 MET HE2 H 1 2.049 0.020 . 1 . . . . 58 MET HE . 16425 1 434 . 1 1 37 37 MET HE3 H 1 2.049 0.020 . 1 . . . . 58 MET HE . 16425 1 435 . 1 1 37 37 MET HG2 H 1 2.092 0.020 . 2 . . . . 58 MET HG2 . 16425 1 436 . 1 1 37 37 MET HG3 H 1 2.291 0.020 . 2 . . . . 58 MET HG3 . 16425 1 437 . 1 1 37 37 MET C C 13 175.080 0.400 . 1 . . . . 58 MET C . 16425 1 438 . 1 1 37 37 MET CA C 13 53.689 0.400 . 1 . . . . 58 MET CA . 16425 1 439 . 1 1 37 37 MET CB C 13 31.080 0.400 . 1 . . . . 58 MET CB . 16425 1 440 . 1 1 37 37 MET CE C 13 17.251 0.400 . 1 . . . . 58 MET CE . 16425 1 441 . 1 1 37 37 MET N N 15 121.603 0.400 . 1 . . . . 58 MET N . 16425 1 442 . 1 1 38 38 PHE H H 1 8.495 0.020 . 1 . . . . 59 PHE H . 16425 1 443 . 1 1 38 38 PHE HA H 1 4.812 0.020 . 1 . . . . 59 PHE HA . 16425 1 444 . 1 1 38 38 PHE HB2 H 1 2.798 0.020 . 2 . . . . 59 PHE HB2 . 16425 1 445 . 1 1 38 38 PHE HB3 H 1 2.564 0.020 . 2 . . . . 59 PHE HB3 . 16425 1 446 . 1 1 38 38 PHE HD1 H 1 6.689 0.020 . 1 . . . . 59 PHE HD1 . 16425 1 447 . 1 1 38 38 PHE HD2 H 1 6.689 0.020 . 1 . . . . 59 PHE HD2 . 16425 1 448 . 1 1 38 38 PHE HE1 H 1 7.042 0.020 . 1 . . . . 59 PHE HE1 . 16425 1 449 . 1 1 38 38 PHE HE2 H 1 7.042 0.020 . 1 . . . . 59 PHE HE2 . 16425 1 450 . 1 1 38 38 PHE C C 13 175.524 0.400 . 1 . . . . 59 PHE C . 16425 1 451 . 1 1 38 38 PHE CA C 13 56.212 0.400 . 1 . . . . 59 PHE CA . 16425 1 452 . 1 1 38 38 PHE CB C 13 42.029 0.400 . 1 . . . . 59 PHE CB . 16425 1 453 . 1 1 38 38 PHE N N 15 120.427 0.400 . 1 . . . . 59 PHE N . 16425 1 454 . 1 1 39 39 ASP H H 1 8.995 0.020 . 1 . . . . 60 ASP H . 16425 1 455 . 1 1 39 39 ASP HA H 1 4.706 0.020 . 1 . . . . 60 ASP HA . 16425 1 456 . 1 1 39 39 ASP HB2 H 1 2.590 0.020 . 2 . . . . 60 ASP HB2 . 16425 1 457 . 1 1 39 39 ASP HB3 H 1 2.735 0.020 . 2 . . . . 60 ASP HB3 . 16425 1 458 . 1 1 39 39 ASP CA C 13 51.731 0.400 . 1 . . . . 60 ASP CA . 16425 1 459 . 1 1 39 39 ASP CB C 13 42.542 0.400 . 1 . . . . 60 ASP CB . 16425 1 460 . 1 1 39 39 ASP N N 15 123.496 0.400 . 1 . . . . 60 ASP N . 16425 1 461 . 1 1 40 40 PRO HA H 1 4.346 0.020 . 1 . . . . 61 PRO HA . 16425 1 462 . 1 1 40 40 PRO HB2 H 1 1.968 0.020 . 2 . . . . 61 PRO HB2 . 16425 1 463 . 1 1 40 40 PRO HB3 H 1 2.328 0.020 . 2 . . . . 61 PRO HB3 . 16425 1 464 . 1 1 40 40 PRO HD2 H 1 3.892 0.020 . 2 . . . . 61 PRO HD2 . 16425 1 465 . 1 1 40 40 PRO HD3 H 1 4.062 0.020 . 2 . . . . 61 PRO HD3 . 16425 1 466 . 1 1 40 40 PRO HG2 H 1 2.047 0.020 . 2 . . . . 61 PRO HG2 . 16425 1 467 . 1 1 40 40 PRO HG3 H 1 2.047 0.020 . 2 . . . . 61 PRO HG3 . 16425 1 468 . 1 1 40 40 PRO C C 13 178.138 0.400 . 1 . . . . 61 PRO C . 16425 1 469 . 1 1 40 40 PRO CA C 13 64.382 0.400 . 1 . . . . 61 PRO CA . 16425 1 470 . 1 1 40 40 PRO CB C 13 32.301 0.400 . 1 . . . . 61 PRO CB . 16425 1 471 . 1 1 40 40 PRO CD C 13 51.362 0.400 . 1 . . . . 61 PRO CD . 16425 1 472 . 1 1 40 40 PRO CG C 13 27.352 0.400 . 1 . . . . 61 PRO CG . 16425 1 473 . 1 1 41 41 GLN H H 1 8.386 0.020 . 1 . . . . 62 GLN H . 16425 1 474 . 1 1 41 41 GLN HA H 1 4.263 0.020 . 1 . . . . 62 GLN HA . 16425 1 475 . 1 1 41 41 GLN HB2 H 1 2.107 0.020 . 2 . . . . 62 GLN HB2 . 16425 1 476 . 1 1 41 41 GLN HB3 H 1 2.168 0.020 . 2 . . . . 62 GLN HB3 . 16425 1 477 . 1 1 41 41 GLN HE21 H 1 6.663 0.020 . 2 . . . . 62 GLN HE21 . 16425 1 478 . 1 1 41 41 GLN HE22 H 1 7.353 0.020 . 2 . . . . 62 GLN HE22 . 16425 1 479 . 1 1 41 41 GLN HG2 H 1 2.296 0.020 . 2 . . . . 62 GLN HG2 . 16425 1 480 . 1 1 41 41 GLN HG3 H 1 2.356 0.020 . 2 . . . . 62 GLN HG3 . 16425 1 481 . 1 1 41 41 GLN C C 13 178.033 0.400 . 1 . . . . 62 GLN C . 16425 1 482 . 1 1 41 41 GLN CA C 13 57.836 0.400 . 1 . . . . 62 GLN CA . 16425 1 483 . 1 1 41 41 GLN CB C 13 29.232 0.400 . 1 . . . . 62 GLN CB . 16425 1 484 . 1 1 41 41 GLN CG C 13 34.755 0.400 . 1 . . . . 62 GLN CG . 16425 1 485 . 1 1 41 41 GLN N N 15 115.725 0.400 . 1 . . . . 62 GLN N . 16425 1 486 . 1 1 41 41 GLN NE2 N 15 111.553 0.400 . 1 . . . . 62 GLN NE2 . 16425 1 487 . 1 1 42 42 THR H H 1 7.844 0.020 . 1 . . . . 63 THR H . 16425 1 488 . 1 1 42 42 THR HA H 1 4.350 0.020 . 1 . . . . 63 THR HA . 16425 1 489 . 1 1 42 42 THR HB H 1 4.239 0.020 . 1 . . . . 63 THR HB . 16425 1 490 . 1 1 42 42 THR HG21 H 1 1.113 0.020 . 1 . . . . 63 THR HG2 . 16425 1 491 . 1 1 42 42 THR HG22 H 1 1.113 0.020 . 1 . . . . 63 THR HG2 . 16425 1 492 . 1 1 42 42 THR HG23 H 1 1.113 0.020 . 1 . . . . 63 THR HG2 . 16425 1 493 . 1 1 42 42 THR C C 13 176.883 0.400 . 1 . . . . 63 THR C . 16425 1 494 . 1 1 42 42 THR CA C 13 61.650 0.400 . 1 . . . . 63 THR CA . 16425 1 495 . 1 1 42 42 THR CB C 13 71.023 0.400 . 1 . . . . 63 THR CB . 16425 1 496 . 1 1 42 42 THR CG2 C 13 21.433 0.400 . 1 . . . . 63 THR CG2 . 16425 1 497 . 1 1 42 42 THR N N 15 106.015 0.400 . 1 . . . . 63 THR N . 16425 1 498 . 1 1 43 43 GLY H H 1 8.412 0.020 . 1 . . . . 64 GLY H . 16425 1 499 . 1 1 43 43 GLY HA2 H 1 4.077 0.020 . 2 . . . . 64 GLY HA2 . 16425 1 500 . 1 1 43 43 GLY HA3 H 1 3.693 0.020 . 2 . . . . 64 GLY HA3 . 16425 1 501 . 1 1 43 43 GLY C C 13 174.034 0.400 . 1 . . . . 64 GLY C . 16425 1 502 . 1 1 43 43 GLY CA C 13 45.696 0.400 . 1 . . . . 64 GLY CA . 16425 1 503 . 1 1 43 43 GLY N N 15 110.882 0.400 . 1 . . . . 64 GLY N . 16425 1 504 . 1 1 44 44 ARG H H 1 7.726 0.020 . 1 . . . . 65 ARG H . 16425 1 505 . 1 1 44 44 ARG HA H 1 4.308 0.020 . 1 . . . . 65 ARG HA . 16425 1 506 . 1 1 44 44 ARG HB2 H 1 1.558 0.020 . 2 . . . . 65 ARG HB2 . 16425 1 507 . 1 1 44 44 ARG HB3 H 1 1.740 0.020 . 2 . . . . 65 ARG HB3 . 16425 1 508 . 1 1 44 44 ARG HD2 H 1 2.971 0.020 . 2 . . . . 65 ARG HD2 . 16425 1 509 . 1 1 44 44 ARG HD3 H 1 2.971 0.020 . 2 . . . . 65 ARG HD3 . 16425 1 510 . 1 1 44 44 ARG HG2 H 1 1.571 0.020 . 2 . . . . 65 ARG HG2 . 16425 1 511 . 1 1 44 44 ARG HG3 H 1 1.571 0.020 . 2 . . . . 65 ARG HG3 . 16425 1 512 . 1 1 44 44 ARG C C 13 176.700 0.400 . 1 . . . . 65 ARG C . 16425 1 513 . 1 1 44 44 ARG CA C 13 56.035 0.400 . 1 . . . . 65 ARG CA . 16425 1 514 . 1 1 44 44 ARG CB C 13 31.420 0.400 . 1 . . . . 65 ARG CB . 16425 1 515 . 1 1 44 44 ARG CD C 13 43.487 0.400 . 1 . . . . 65 ARG CD . 16425 1 516 . 1 1 44 44 ARG CG C 13 27.395 0.400 . 1 . . . . 65 ARG CG . 16425 1 517 . 1 1 44 44 ARG N N 15 119.005 0.400 . 1 . . . . 65 ARG N . 16425 1 518 . 1 1 45 45 SER H H 1 8.860 0.020 . 1 . . . . 66 SER H . 16425 1 519 . 1 1 45 45 SER HA H 1 4.033 0.020 . 1 . . . . 66 SER HA . 16425 1 520 . 1 1 45 45 SER HB2 H 1 3.889 0.020 . 2 . . . . 66 SER HB2 . 16425 1 521 . 1 1 45 45 SER HB3 H 1 3.889 0.020 . 2 . . . . 66 SER HB3 . 16425 1 522 . 1 1 45 45 SER C C 13 175.890 0.400 . 1 . . . . 66 SER C . 16425 1 523 . 1 1 45 45 SER CA C 13 58.320 0.400 . 1 . . . . 66 SER CA . 16425 1 524 . 1 1 45 45 SER CB C 13 63.648 0.400 . 1 . . . . 66 SER CB . 16425 1 525 . 1 1 45 45 SER N N 15 116.886 0.400 . 1 . . . . 66 SER N . 16425 1 526 . 1 1 46 46 LYS H H 1 8.511 0.020 . 1 . . . . 67 LYS H . 16425 1 527 . 1 1 46 46 LYS HA H 1 4.290 0.020 . 1 . . . . 67 LYS HA . 16425 1 528 . 1 1 46 46 LYS HE2 H 1 2.929 0.020 . 2 . . . . 67 LYS HE2 . 16425 1 529 . 1 1 46 46 LYS HE3 H 1 2.929 0.020 . 2 . . . . 67 LYS HE3 . 16425 1 530 . 1 1 46 46 LYS C C 13 178.216 0.400 . 1 . . . . 67 LYS C . 16425 1 531 . 1 1 46 46 LYS CA C 13 55.781 0.400 . 1 . . . . 67 LYS CA . 16425 1 532 . 1 1 46 46 LYS CE C 13 41.895 0.400 . 1 . . . . 67 LYS CE . 16425 1 533 . 1 1 46 46 LYS N N 15 121.784 0.400 . 1 . . . . 67 LYS N . 16425 1 534 . 1 1 47 47 GLY H H 1 9.124 0.020 . 1 . . . . 68 GLY H . 16425 1 535 . 1 1 47 47 GLY HA2 H 1 4.185 0.020 . 2 . . . . 68 GLY HA2 . 16425 1 536 . 1 1 47 47 GLY HA3 H 1 3.495 0.020 . 2 . . . . 68 GLY HA3 . 16425 1 537 . 1 1 47 47 GLY C C 13 175.311 0.400 . 1 . . . . 68 GLY C . 16425 1 538 . 1 1 47 47 GLY CA C 13 46.345 0.400 . 1 . . . . 68 GLY CA . 16425 1 539 . 1 1 47 47 GLY N N 15 107.203 0.400 . 1 . . . . 68 GLY N . 16425 1 540 . 1 1 48 48 TYR H H 1 7.008 0.020 . 1 . . . . 69 TYR H . 16425 1 541 . 1 1 48 48 TYR HA H 1 5.286 0.020 . 1 . . . . 69 TYR HA . 16425 1 542 . 1 1 48 48 TYR HB2 H 1 2.559 0.020 . 2 . . . . 69 TYR HB2 . 16425 1 543 . 1 1 48 48 TYR HB3 H 1 2.972 0.020 . 2 . . . . 69 TYR HB3 . 16425 1 544 . 1 1 48 48 TYR HD1 H 1 6.557 0.020 . 1 . . . . 69 TYR HD1 . 16425 1 545 . 1 1 48 48 TYR HD2 H 1 6.557 0.020 . 1 . . . . 69 TYR HD2 . 16425 1 546 . 1 1 48 48 TYR HE1 H 1 6.152 0.020 . 1 . . . . 69 TYR HE1 . 16425 1 547 . 1 1 48 48 TYR HE2 H 1 6.152 0.020 . 1 . . . . 69 TYR HE2 . 16425 1 548 . 1 1 48 48 TYR C C 13 175.550 0.400 . 1 . . . . 69 TYR C . 16425 1 549 . 1 1 48 48 TYR CA C 13 55.436 0.400 . 1 . . . . 69 TYR CA . 16425 1 550 . 1 1 48 48 TYR CB C 13 40.833 0.400 . 1 . . . . 69 TYR CB . 16425 1 551 . 1 1 48 48 TYR N N 15 111.831 0.400 . 1 . . . . 69 TYR N . 16425 1 552 . 1 1 49 49 ALA H H 1 8.789 0.020 . 1 . . . . 70 ALA H . 16425 1 553 . 1 1 49 49 ALA HA H 1 4.657 0.020 . 1 . . . . 70 ALA HA . 16425 1 554 . 1 1 49 49 ALA HB1 H 1 0.934 0.020 . 1 . . . . 70 ALA HB . 16425 1 555 . 1 1 49 49 ALA HB2 H 1 0.934 0.020 . 1 . . . . 70 ALA HB . 16425 1 556 . 1 1 49 49 ALA HB3 H 1 0.934 0.020 . 1 . . . . 70 ALA HB . 16425 1 557 . 1 1 49 49 ALA C C 13 174.060 0.400 . 1 . . . . 70 ALA C . 16425 1 558 . 1 1 49 49 ALA CA C 13 50.122 0.400 . 1 . . . . 70 ALA CA . 16425 1 559 . 1 1 49 49 ALA CB C 13 23.534 0.400 . 1 . . . . 70 ALA CB . 16425 1 560 . 1 1 49 49 ALA N N 15 120.731 0.400 . 1 . . . . 70 ALA N . 16425 1 561 . 1 1 50 50 PHE H H 1 8.333 0.020 . 1 . . . . 71 PHE H . 16425 1 562 . 1 1 50 50 PHE HA H 1 5.540 0.020 . 1 . . . . 71 PHE HA . 16425 1 563 . 1 1 50 50 PHE HB2 H 1 2.578 0.020 . 2 . . . . 71 PHE HB2 . 16425 1 564 . 1 1 50 50 PHE HB3 H 1 2.728 0.020 . 2 . . . . 71 PHE HB3 . 16425 1 565 . 1 1 50 50 PHE HD1 H 1 7.108 0.020 . 1 . . . . 71 PHE HD1 . 16425 1 566 . 1 1 50 50 PHE HD2 H 1 7.108 0.020 . 1 . . . . 71 PHE HD2 . 16425 1 567 . 1 1 50 50 PHE HE1 H 1 7.479 0.020 . 1 . . . . 71 PHE HE1 . 16425 1 568 . 1 1 50 50 PHE HE2 H 1 7.479 0.020 . 1 . . . . 71 PHE HE2 . 16425 1 569 . 1 1 50 50 PHE C C 13 175.446 0.400 . 1 . . . . 71 PHE C . 16425 1 570 . 1 1 50 50 PHE CA C 13 55.945 0.400 . 1 . . . . 71 PHE CA . 16425 1 571 . 1 1 50 50 PHE CB C 13 41.668 0.400 . 1 . . . . 71 PHE CB . 16425 1 572 . 1 1 50 50 PHE N N 15 114.987 0.400 . 1 . . . . 71 PHE N . 16425 1 573 . 1 1 51 51 ILE H H 1 9.103 0.020 . 1 . . . . 72 ILE H . 16425 1 574 . 1 1 51 51 ILE HA H 1 4.335 0.020 . 1 . . . . 72 ILE HA . 16425 1 575 . 1 1 51 51 ILE HB H 1 1.468 0.020 . 1 . . . . 72 ILE HB . 16425 1 576 . 1 1 51 51 ILE HD11 H 1 0.514 0.020 . 1 . . . . 72 ILE HD1 . 16425 1 577 . 1 1 51 51 ILE HD12 H 1 0.514 0.020 . 1 . . . . 72 ILE HD1 . 16425 1 578 . 1 1 51 51 ILE HD13 H 1 0.514 0.020 . 1 . . . . 72 ILE HD1 . 16425 1 579 . 1 1 51 51 ILE HG12 H 1 1.127 0.020 . 2 . . . . 72 ILE HG12 . 16425 1 580 . 1 1 51 51 ILE HG13 H 1 1.127 0.020 . 2 . . . . 72 ILE HG13 . 16425 1 581 . 1 1 51 51 ILE HG21 H 1 0.093 0.020 . 1 . . . . 72 ILE HG2 . 16425 1 582 . 1 1 51 51 ILE HG22 H 1 0.093 0.020 . 1 . . . . 72 ILE HG2 . 16425 1 583 . 1 1 51 51 ILE HG23 H 1 0.093 0.020 . 1 . . . . 72 ILE HG2 . 16425 1 584 . 1 1 51 51 ILE C C 13 173.538 0.400 . 1 . . . . 72 ILE C . 16425 1 585 . 1 1 51 51 ILE CA C 13 61.083 0.400 . 1 . . . . 72 ILE CA . 16425 1 586 . 1 1 51 51 ILE CB C 13 41.092 0.400 . 1 . . . . 72 ILE CB . 16425 1 587 . 1 1 51 51 ILE CD1 C 13 17.823 0.400 . 1 . . . . 72 ILE CD1 . 16425 1 588 . 1 1 51 51 ILE CG1 C 13 28.742 0.400 . 1 . . . . 72 ILE CG1 . 16425 1 589 . 1 1 51 51 ILE CG2 C 13 21.685 0.400 . 1 . . . . 72 ILE CG2 . 16425 1 590 . 1 1 51 51 ILE N N 15 122.198 0.400 . 1 . . . . 72 ILE N . 16425 1 591 . 1 1 52 52 GLU H H 1 8.829 0.020 . 1 . . . . 73 GLU H . 16425 1 592 . 1 1 52 52 GLU HA H 1 4.961 0.020 . 1 . . . . 73 GLU HA . 16425 1 593 . 1 1 52 52 GLU HB2 H 1 1.894 0.020 . 2 . . . . 73 GLU HB2 . 16425 1 594 . 1 1 52 52 GLU HB3 H 1 1.674 0.020 . 2 . . . . 73 GLU HB3 . 16425 1 595 . 1 1 52 52 GLU C C 13 175.811 0.400 . 1 . . . . 73 GLU C . 16425 1 596 . 1 1 52 52 GLU CA C 13 54.101 0.400 . 1 . . . . 73 GLU CA . 16425 1 597 . 1 1 52 52 GLU CB C 13 32.299 0.400 . 1 . . . . 73 GLU CB . 16425 1 598 . 1 1 52 52 GLU N N 15 126.808 0.400 . 1 . . . . 73 GLU N . 16425 1 599 . 1 1 53 53 PHE H H 1 9.077 0.020 . 1 . . . . 74 PHE H . 16425 1 600 . 1 1 53 53 PHE HA H 1 4.958 0.020 . 1 . . . . 74 PHE HA . 16425 1 601 . 1 1 53 53 PHE HB2 H 1 2.941 0.020 . 2 . . . . 74 PHE HB2 . 16425 1 602 . 1 1 53 53 PHE HB3 H 1 3.347 0.020 . 2 . . . . 74 PHE HB3 . 16425 1 603 . 1 1 53 53 PHE HD1 H 1 7.033 0.020 . 1 . . . . 74 PHE HD1 . 16425 1 604 . 1 1 53 53 PHE HD2 H 1 7.033 0.020 . 1 . . . . 74 PHE HD2 . 16425 1 605 . 1 1 53 53 PHE HE1 H 1 7.244 0.020 . 1 . . . . 74 PHE HE1 . 16425 1 606 . 1 1 53 53 PHE HE2 H 1 7.244 0.020 . 1 . . . . 74 PHE HE2 . 16425 1 607 . 1 1 53 53 PHE HZ H 1 6.652 0.020 . 1 . . . . 74 PHE HZ . 16425 1 608 . 1 1 53 53 PHE C C 13 176.308 0.400 . 1 . . . . 74 PHE C . 16425 1 609 . 1 1 53 53 PHE CA C 13 58.678 0.400 . 1 . . . . 74 PHE CA . 16425 1 610 . 1 1 53 53 PHE CB C 13 42.134 0.400 . 1 . . . . 74 PHE CB . 16425 1 611 . 1 1 53 53 PHE N N 15 126.039 0.400 . 1 . . . . 74 PHE N . 16425 1 612 . 1 1 54 54 ARG H H 1 8.458 0.020 . 1 . . . . 75 ARG H . 16425 1 613 . 1 1 54 54 ARG HA H 1 3.868 0.020 . 1 . . . . 75 ARG HA . 16425 1 614 . 1 1 54 54 ARG HB2 H 1 1.831 0.020 . 2 . . . . 75 ARG HB2 . 16425 1 615 . 1 1 54 54 ARG HB3 H 1 1.698 0.020 . 2 . . . . 75 ARG HB3 . 16425 1 616 . 1 1 54 54 ARG HD2 H 1 3.152 0.020 . 2 . . . . 75 ARG HD2 . 16425 1 617 . 1 1 54 54 ARG HD3 H 1 3.152 0.020 . 2 . . . . 75 ARG HD3 . 16425 1 618 . 1 1 54 54 ARG C C 13 175.393 0.400 . 1 . . . . 75 ARG C . 16425 1 619 . 1 1 54 54 ARG CA C 13 58.754 0.400 . 1 . . . . 75 ARG CA . 16425 1 620 . 1 1 54 54 ARG CB C 13 31.998 0.400 . 1 . . . . 75 ARG CB . 16425 1 621 . 1 1 54 54 ARG CD C 13 43.929 0.400 . 1 . . . . 75 ARG CD . 16425 1 622 . 1 1 54 54 ARG N N 15 116.945 0.400 . 1 . . . . 75 ARG N . 16425 1 623 . 1 1 55 55 ASP H H 1 7.593 0.020 . 1 . . . . 76 ASP H . 16425 1 624 . 1 1 55 55 ASP HA H 1 4.820 0.020 . 1 . . . . 76 ASP HA . 16425 1 625 . 1 1 55 55 ASP HB2 H 1 2.778 0.020 . 2 . . . . 76 ASP HB2 . 16425 1 626 . 1 1 55 55 ASP HB3 H 1 3.100 0.020 . 2 . . . . 76 ASP HB3 . 16425 1 627 . 1 1 55 55 ASP C C 13 175.367 0.400 . 1 . . . . 76 ASP C . 16425 1 628 . 1 1 55 55 ASP CB C 13 43.968 0.400 . 1 . . . . 76 ASP CB . 16425 1 629 . 1 1 55 55 ASP N N 15 110.013 0.400 . 1 . . . . 76 ASP N . 16425 1 630 . 1 1 56 56 LEU H H 1 8.535 0.020 . 1 . . . . 77 LEU H . 16425 1 631 . 1 1 56 56 LEU HA H 1 4.399 0.020 . 1 . . . . 77 LEU HA . 16425 1 632 . 1 1 56 56 LEU HB2 H 1 1.588 0.020 . 2 . . . . 77 LEU HB2 . 16425 1 633 . 1 1 56 56 LEU HB3 H 1 1.653 0.020 . 2 . . . . 77 LEU HB3 . 16425 1 634 . 1 1 56 56 LEU HD11 H 1 0.794 0.020 . 2 . . . . 77 LEU HD1 . 16425 1 635 . 1 1 56 56 LEU HD12 H 1 0.794 0.020 . 2 . . . . 77 LEU HD1 . 16425 1 636 . 1 1 56 56 LEU HD13 H 1 0.794 0.020 . 2 . . . . 77 LEU HD1 . 16425 1 637 . 1 1 56 56 LEU HD21 H 1 0.556 0.020 . 2 . . . . 77 LEU HD2 . 16425 1 638 . 1 1 56 56 LEU HD22 H 1 0.556 0.020 . 2 . . . . 77 LEU HD2 . 16425 1 639 . 1 1 56 56 LEU HD23 H 1 0.556 0.020 . 2 . . . . 77 LEU HD2 . 16425 1 640 . 1 1 56 56 LEU HG H 1 1.386 0.020 . 1 . . . . 77 LEU HG . 16425 1 641 . 1 1 56 56 LEU C C 13 180.098 0.400 . 1 . . . . 77 LEU C . 16425 1 642 . 1 1 56 56 LEU CA C 13 56.323 0.400 . 1 . . . . 77 LEU CA . 16425 1 643 . 1 1 56 56 LEU N N 15 119.358 0.400 . 1 . . . . 77 LEU N . 16425 1 644 . 1 1 57 57 GLU H H 1 8.602 0.020 . 1 . . . . 78 GLU H . 16425 1 645 . 1 1 57 57 GLU HA H 1 4.025 0.020 . 1 . . . . 78 GLU HA . 16425 1 646 . 1 1 57 57 GLU HB2 H 1 1.922 0.020 . 2 . . . . 78 GLU HB2 . 16425 1 647 . 1 1 57 57 GLU HB3 H 1 2.037 0.020 . 2 . . . . 78 GLU HB3 . 16425 1 648 . 1 1 57 57 GLU HG2 H 1 2.299 0.020 . 2 . . . . 78 GLU HG2 . 16425 1 649 . 1 1 57 57 GLU HG3 H 1 2.266 0.020 . 2 . . . . 78 GLU HG3 . 16425 1 650 . 1 1 57 57 GLU C C 13 180.386 0.400 . 1 . . . . 78 GLU C . 16425 1 651 . 1 1 57 57 GLU CA C 13 59.740 0.400 . 1 . . . . 78 GLU CA . 16425 1 652 . 1 1 57 57 GLU CB C 13 28.284 0.400 . 1 . . . . 78 GLU CB . 16425 1 653 . 1 1 57 57 GLU CG C 13 36.562 0.400 . 1 . . . . 78 GLU CG . 16425 1 654 . 1 1 57 57 GLU N N 15 120.976 0.400 . 1 . . . . 78 GLU N . 16425 1 655 . 1 1 58 58 SER H H 1 8.333 0.020 . 1 . . . . 79 SER H . 16425 1 656 . 1 1 58 58 SER HA H 1 4.016 0.020 . 1 . . . . 79 SER HA . 16425 1 657 . 1 1 58 58 SER HB2 H 1 3.349 0.020 . 2 . . . . 79 SER HB2 . 16425 1 658 . 1 1 58 58 SER HB3 H 1 3.968 0.020 . 2 . . . . 79 SER HB3 . 16425 1 659 . 1 1 58 58 SER C C 13 175.446 0.400 . 1 . . . . 79 SER C . 16425 1 660 . 1 1 58 58 SER CA C 13 61.891 0.400 . 1 . . . . 79 SER CA . 16425 1 661 . 1 1 58 58 SER CB C 13 62.397 0.400 . 1 . . . . 79 SER CB . 16425 1 662 . 1 1 58 58 SER N N 15 116.198 0.400 . 1 . . . . 79 SER N . 16425 1 663 . 1 1 59 59 SER H H 1 7.858 0.020 . 1 . . . . 80 SER H . 16425 1 664 . 1 1 59 59 SER HA H 1 4.055 0.020 . 1 . . . . 80 SER HA . 16425 1 665 . 1 1 59 59 SER HB2 H 1 3.529 0.020 . 2 . . . . 80 SER HB2 . 16425 1 666 . 1 1 59 59 SER HB3 H 1 3.529 0.020 . 2 . . . . 80 SER HB3 . 16425 1 667 . 1 1 59 59 SER C C 13 176.726 0.400 . 1 . . . . 80 SER C . 16425 1 668 . 1 1 59 59 SER CA C 13 61.808 0.400 . 1 . . . . 80 SER CA . 16425 1 669 . 1 1 59 59 SER CB C 13 63.278 0.400 . 1 . . . . 80 SER CB . 16425 1 670 . 1 1 59 59 SER N N 15 116.657 0.400 . 1 . . . . 80 SER N . 16425 1 671 . 1 1 60 60 ALA H H 1 8.069 0.020 . 1 . . . . 81 ALA H . 16425 1 672 . 1 1 60 60 ALA HA H 1 4.315 0.020 . 1 . . . . 81 ALA HA . 16425 1 673 . 1 1 60 60 ALA HB1 H 1 1.460 0.020 . 1 . . . . 81 ALA HB . 16425 1 674 . 1 1 60 60 ALA HB2 H 1 1.460 0.020 . 1 . . . . 81 ALA HB . 16425 1 675 . 1 1 60 60 ALA HB3 H 1 1.460 0.020 . 1 . . . . 81 ALA HB . 16425 1 676 . 1 1 60 60 ALA C C 13 181.588 0.400 . 1 . . . . 81 ALA C . 16425 1 677 . 1 1 60 60 ALA CA C 13 54.990 0.400 . 1 . . . . 81 ALA CA . 16425 1 678 . 1 1 60 60 ALA CB C 13 17.678 0.400 . 1 . . . . 81 ALA CB . 16425 1 679 . 1 1 60 60 ALA N N 15 123.913 0.400 . 1 . . . . 81 ALA N . 16425 1 680 . 1 1 61 61 SER H H 1 7.507 0.020 . 1 . . . . 82 SER H . 16425 1 681 . 1 1 61 61 SER HA H 1 4.009 0.020 . 1 . . . . 82 SER HA . 16425 1 682 . 1 1 61 61 SER HB2 H 1 3.861 0.020 . 2 . . . . 82 SER HB2 . 16425 1 683 . 1 1 61 61 SER HB3 H 1 3.838 0.020 . 2 . . . . 82 SER HB3 . 16425 1 684 . 1 1 61 61 SER C C 13 177.040 0.400 . 1 . . . . 82 SER C . 16425 1 685 . 1 1 61 61 SER CA C 13 60.476 0.400 . 1 . . . . 82 SER CA . 16425 1 686 . 1 1 61 61 SER CB C 13 62.566 0.400 . 1 . . . . 82 SER CB . 16425 1 687 . 1 1 61 61 SER N N 15 113.457 0.400 . 1 . . . . 82 SER N . 16425 1 688 . 1 1 62 62 ALA H H 1 7.960 0.020 . 1 . . . . 83 ALA H . 16425 1 689 . 1 1 62 62 ALA HA H 1 3.692 0.020 . 1 . . . . 83 ALA HA . 16425 1 690 . 1 1 62 62 ALA HB1 H 1 1.189 0.020 . 1 . . . . 83 ALA HB . 16425 1 691 . 1 1 62 62 ALA HB2 H 1 1.189 0.020 . 1 . . . . 83 ALA HB . 16425 1 692 . 1 1 62 62 ALA HB3 H 1 1.189 0.020 . 1 . . . . 83 ALA HB . 16425 1 693 . 1 1 62 62 ALA C C 13 178.582 0.400 . 1 . . . . 83 ALA C . 16425 1 694 . 1 1 62 62 ALA CA C 13 55.819 0.400 . 1 . . . . 83 ALA CA . 16425 1 695 . 1 1 62 62 ALA CB C 13 18.679 0.400 . 1 . . . . 83 ALA CB . 16425 1 696 . 1 1 62 62 ALA N N 15 124.244 0.400 . 1 . . . . 83 ALA N . 16425 1 697 . 1 1 63 63 VAL H H 1 7.834 0.020 . 1 . . . . 84 VAL H . 16425 1 698 . 1 1 63 63 VAL HA H 1 3.215 0.020 . 1 . . . . 84 VAL HA . 16425 1 699 . 1 1 63 63 VAL HB H 1 1.743 0.020 . 1 . . . . 84 VAL HB . 16425 1 700 . 1 1 63 63 VAL HG11 H 1 0.603 0.020 . 2 . . . . 84 VAL HG1 . 16425 1 701 . 1 1 63 63 VAL HG12 H 1 0.603 0.020 . 2 . . . . 84 VAL HG1 . 16425 1 702 . 1 1 63 63 VAL HG13 H 1 0.603 0.020 . 2 . . . . 84 VAL HG1 . 16425 1 703 . 1 1 63 63 VAL HG21 H 1 0.230 0.020 . 2 . . . . 84 VAL HG2 . 16425 1 704 . 1 1 63 63 VAL HG22 H 1 0.230 0.020 . 2 . . . . 84 VAL HG2 . 16425 1 705 . 1 1 63 63 VAL HG23 H 1 0.230 0.020 . 2 . . . . 84 VAL HG2 . 16425 1 706 . 1 1 63 63 VAL C C 13 178.399 0.400 . 1 . . . . 84 VAL C . 16425 1 707 . 1 1 63 63 VAL CA C 13 66.917 0.400 . 1 . . . . 84 VAL CA . 16425 1 708 . 1 1 63 63 VAL CB C 13 31.447 0.400 . 1 . . . . 84 VAL CB . 16425 1 709 . 1 1 63 63 VAL CG1 C 13 21.055 0.400 . 1 . . . . 84 VAL CG1 . 16425 1 710 . 1 1 63 63 VAL CG2 C 13 21.714 0.400 . 1 . . . . 84 VAL CG2 . 16425 1 711 . 1 1 63 63 VAL N N 15 116.738 0.400 . 1 . . . . 84 VAL N . 16425 1 712 . 1 1 64 64 ARG H H 1 7.497 0.020 . 1 . . . . 85 ARG H . 16425 1 713 . 1 1 64 64 ARG HA H 1 4.017 0.020 . 1 . . . . 85 ARG HA . 16425 1 714 . 1 1 64 64 ARG HB2 H 1 1.843 0.020 . 2 . . . . 85 ARG HB2 . 16425 1 715 . 1 1 64 64 ARG HB3 H 1 1.843 0.020 . 2 . . . . 85 ARG HB3 . 16425 1 716 . 1 1 64 64 ARG C C 13 178.321 0.400 . 1 . . . . 85 ARG C . 16425 1 717 . 1 1 64 64 ARG CB C 13 30.797 0.400 . 1 . . . . 85 ARG CB . 16425 1 718 . 1 1 64 64 ARG N N 15 115.866 0.400 . 1 . . . . 85 ARG N . 16425 1 719 . 1 1 65 65 ASN H H 1 8.417 0.020 . 1 . . . . 86 ASN H . 16425 1 720 . 1 1 65 65 ASN HA H 1 4.634 0.020 . 1 . . . . 86 ASN HA . 16425 1 721 . 1 1 65 65 ASN HB2 H 1 2.559 0.020 . 2 . . . . 86 ASN HB2 . 16425 1 722 . 1 1 65 65 ASN HB3 H 1 3.112 0.020 . 2 . . . . 86 ASN HB3 . 16425 1 723 . 1 1 65 65 ASN HD21 H 1 7.267 0.020 . 2 . . . . 86 ASN HD21 . 16425 1 724 . 1 1 65 65 ASN HD22 H 1 6.963 0.020 . 2 . . . . 86 ASN HD22 . 16425 1 725 . 1 1 65 65 ASN C C 13 177.354 0.400 . 1 . . . . 86 ASN C . 16425 1 726 . 1 1 65 65 ASN CA C 13 54.930 0.400 . 1 . . . . 86 ASN CA . 16425 1 727 . 1 1 65 65 ASN CB C 13 39.743 0.400 . 1 . . . . 86 ASN CB . 16425 1 728 . 1 1 65 65 ASN N N 15 113.205 0.400 . 1 . . . . 86 ASN N . 16425 1 729 . 1 1 65 65 ASN ND2 N 15 113.783 0.400 . 1 . . . . 86 ASN ND2 . 16425 1 730 . 1 1 66 66 LEU H H 1 8.934 0.020 . 1 . . . . 87 LEU H . 16425 1 731 . 1 1 66 66 LEU HA H 1 4.412 0.020 . 1 . . . . 87 LEU HA . 16425 1 732 . 1 1 66 66 LEU HB2 H 1 2.011 0.020 . 2 . . . . 87 LEU HB2 . 16425 1 733 . 1 1 66 66 LEU HB3 H 1 2.011 0.020 . 2 . . . . 87 LEU HB3 . 16425 1 734 . 1 1 66 66 LEU HD11 H 1 0.258 0.020 . 2 . . . . 87 LEU HD1 . 16425 1 735 . 1 1 66 66 LEU HD12 H 1 0.258 0.020 . 2 . . . . 87 LEU HD1 . 16425 1 736 . 1 1 66 66 LEU HD13 H 1 0.258 0.020 . 2 . . . . 87 LEU HD1 . 16425 1 737 . 1 1 66 66 LEU HD21 H 1 0.780 0.020 . 2 . . . . 87 LEU HD2 . 16425 1 738 . 1 1 66 66 LEU HD22 H 1 0.780 0.020 . 2 . . . . 87 LEU HD2 . 16425 1 739 . 1 1 66 66 LEU HD23 H 1 0.780 0.020 . 2 . . . . 87 LEU HD2 . 16425 1 740 . 1 1 66 66 LEU HG H 1 1.464 0.020 . 1 . . . . 87 LEU HG . 16425 1 741 . 1 1 66 66 LEU C C 13 177.902 0.400 . 1 . . . . 87 LEU C . 16425 1 742 . 1 1 66 66 LEU CA C 13 55.367 0.400 . 1 . . . . 87 LEU CA . 16425 1 743 . 1 1 66 66 LEU N N 15 115.688 0.400 . 1 . . . . 87 LEU N . 16425 1 744 . 1 1 67 67 ASN H H 1 6.750 0.020 . 1 . . . . 88 ASN H . 16425 1 745 . 1 1 67 67 ASN HA H 1 4.372 0.020 . 1 . . . . 88 ASN HA . 16425 1 746 . 1 1 67 67 ASN HB2 H 1 2.983 0.020 . 2 . . . . 88 ASN HB2 . 16425 1 747 . 1 1 67 67 ASN HB3 H 1 3.085 0.020 . 2 . . . . 88 ASN HB3 . 16425 1 748 . 1 1 67 67 ASN HD21 H 1 7.749 0.020 . 2 . . . . 88 ASN HD21 . 16425 1 749 . 1 1 67 67 ASN HD22 H 1 7.053 0.020 . 2 . . . . 88 ASN HD22 . 16425 1 750 . 1 1 67 67 ASN C C 13 175.811 0.400 . 1 . . . . 88 ASN C . 16425 1 751 . 1 1 67 67 ASN CA C 13 55.082 0.400 . 1 . . . . 88 ASN CA . 16425 1 752 . 1 1 67 67 ASN CB C 13 38.226 0.400 . 1 . . . . 88 ASN CB . 16425 1 753 . 1 1 67 67 ASN N N 15 115.041 0.400 . 1 . . . . 88 ASN N . 16425 1 754 . 1 1 67 67 ASN ND2 N 15 114.690 0.400 . 1 . . . . 88 ASN ND2 . 16425 1 755 . 1 1 68 68 GLY H H 1 9.155 0.020 . 1 . . . . 89 GLY H . 16425 1 756 . 1 1 68 68 GLY HA2 H 1 3.588 0.020 . 2 . . . . 89 GLY HA2 . 16425 1 757 . 1 1 68 68 GLY HA3 H 1 4.255 0.020 . 2 . . . . 89 GLY HA3 . 16425 1 758 . 1 1 68 68 GLY C C 13 173.355 0.400 . 1 . . . . 89 GLY C . 16425 1 759 . 1 1 68 68 GLY CA C 13 45.364 0.400 . 1 . . . . 89 GLY CA . 16425 1 760 . 1 1 68 68 GLY N N 15 117.549 0.400 . 1 . . . . 89 GLY N . 16425 1 761 . 1 1 69 69 TYR H H 1 7.376 0.020 . 1 . . . . 90 TYR H . 16425 1 762 . 1 1 69 69 TYR HA H 1 4.103 0.020 . 1 . . . . 90 TYR HA . 16425 1 763 . 1 1 69 69 TYR HB2 H 1 3.160 0.020 . 2 . . . . 90 TYR HB2 . 16425 1 764 . 1 1 69 69 TYR HB3 H 1 2.928 0.020 . 2 . . . . 90 TYR HB3 . 16425 1 765 . 1 1 69 69 TYR HD1 H 1 6.856 0.020 . 1 . . . . 90 TYR HD1 . 16425 1 766 . 1 1 69 69 TYR HD2 H 1 6.856 0.020 . 1 . . . . 90 TYR HD2 . 16425 1 767 . 1 1 69 69 TYR HE1 H 1 6.632 0.020 . 1 . . . . 90 TYR HE1 . 16425 1 768 . 1 1 69 69 TYR HE2 H 1 6.632 0.020 . 1 . . . . 90 TYR HE2 . 16425 1 769 . 1 1 69 69 TYR C C 13 174.844 0.400 . 1 . . . . 90 TYR C . 16425 1 770 . 1 1 69 69 TYR CA C 13 58.625 0.400 . 1 . . . . 90 TYR CA . 16425 1 771 . 1 1 69 69 TYR CB C 13 40.024 0.400 . 1 . . . . 90 TYR CB . 16425 1 772 . 1 1 69 69 TYR N N 15 122.501 0.400 . 1 . . . . 90 TYR N . 16425 1 773 . 1 1 70 70 GLN H H 1 7.929 0.020 . 1 . . . . 91 GLN H . 16425 1 774 . 1 1 70 70 GLN HA H 1 4.262 0.020 . 1 . . . . 91 GLN HA . 16425 1 775 . 1 1 70 70 GLN HB2 H 1 1.617 0.020 . 2 . . . . 91 GLN HB2 . 16425 1 776 . 1 1 70 70 GLN HB3 H 1 1.446 0.020 . 2 . . . . 91 GLN HB3 . 16425 1 777 . 1 1 70 70 GLN HE21 H 1 6.889 0.020 . 2 . . . . 91 GLN HE21 . 16425 1 778 . 1 1 70 70 GLN HE22 H 1 6.481 0.020 . 2 . . . . 91 GLN HE22 . 16425 1 779 . 1 1 70 70 GLN HG2 H 1 1.214 0.020 . 2 . . . . 91 GLN HG2 . 16425 1 780 . 1 1 70 70 GLN HG3 H 1 1.214 0.020 . 2 . . . . 91 GLN HG3 . 16425 1 781 . 1 1 70 70 GLN C C 13 173.302 0.400 . 1 . . . . 91 GLN C . 16425 1 782 . 1 1 70 70 GLN CA C 13 55.284 0.400 . 1 . . . . 91 GLN CA . 16425 1 783 . 1 1 70 70 GLN CB C 13 27.859 0.400 . 1 . . . . 91 GLN CB . 16425 1 784 . 1 1 70 70 GLN N N 15 128.835 0.400 . 1 . . . . 91 GLN N . 16425 1 785 . 1 1 70 70 GLN NE2 N 15 109.417 0.400 . 1 . . . . 91 GLN NE2 . 16425 1 786 . 1 1 71 71 LEU H H 1 8.310 0.020 . 1 . . . . 92 LEU H . 16425 1 787 . 1 1 71 71 LEU HA H 1 4.468 0.020 . 1 . . . . 92 LEU HA . 16425 1 788 . 1 1 71 71 LEU HB2 H 1 1.684 0.020 . 2 . . . . 92 LEU HB2 . 16425 1 789 . 1 1 71 71 LEU HB3 H 1 1.109 0.020 . 2 . . . . 92 LEU HB3 . 16425 1 790 . 1 1 71 71 LEU HD11 H 1 0.954 0.020 . 2 . . . . 92 LEU HD1 . 16425 1 791 . 1 1 71 71 LEU HD12 H 1 0.954 0.020 . 2 . . . . 92 LEU HD1 . 16425 1 792 . 1 1 71 71 LEU HD13 H 1 0.954 0.020 . 2 . . . . 92 LEU HD1 . 16425 1 793 . 1 1 71 71 LEU HD21 H 1 0.784 0.020 . 2 . . . . 92 LEU HD2 . 16425 1 794 . 1 1 71 71 LEU HD22 H 1 0.784 0.020 . 2 . . . . 92 LEU HD2 . 16425 1 795 . 1 1 71 71 LEU HD23 H 1 0.784 0.020 . 2 . . . . 92 LEU HD2 . 16425 1 796 . 1 1 71 71 LEU HG H 1 1.359 0.020 . 1 . . . . 92 LEU HG . 16425 1 797 . 1 1 71 71 LEU C C 13 175.184 0.400 . 1 . . . . 92 LEU C . 16425 1 798 . 1 1 71 71 LEU CA C 13 53.242 0.400 . 1 . . . . 92 LEU CA . 16425 1 799 . 1 1 71 71 LEU CB C 13 44.586 0.400 . 1 . . . . 92 LEU CB . 16425 1 800 . 1 1 71 71 LEU CD1 C 13 23.704 0.400 . 1 . . . . 92 LEU CD1 . 16425 1 801 . 1 1 71 71 LEU CD2 C 13 26.075 0.400 . 1 . . . . 92 LEU CD2 . 16425 1 802 . 1 1 71 71 LEU CG C 13 27.766 0.400 . 1 . . . . 92 LEU CG . 16425 1 803 . 1 1 71 71 LEU N N 15 130.769 0.400 . 1 . . . . 92 LEU N . 16425 1 804 . 1 1 72 72 GLY H H 1 8.609 0.020 . 1 . . . . 93 GLY H . 16425 1 805 . 1 1 72 72 GLY HA2 H 1 3.881 0.020 . 2 . . . . 93 GLY HA2 . 16425 1 806 . 1 1 72 72 GLY HA3 H 1 3.480 0.020 . 2 . . . . 93 GLY HA3 . 16425 1 807 . 1 1 72 72 GLY C C 13 172.152 0.400 . 1 . . . . 93 GLY C . 16425 1 808 . 1 1 72 72 GLY CA C 13 46.879 0.400 . 1 . . . . 93 GLY CA . 16425 1 809 . 1 1 72 72 GLY N N 15 113.797 0.400 . 1 . . . . 93 GLY N . 16425 1 810 . 1 1 73 73 SER H H 1 8.793 0.020 . 1 . . . . 94 SER H . 16425 1 811 . 1 1 73 73 SER HA H 1 4.338 0.020 . 1 . . . . 94 SER HA . 16425 1 812 . 1 1 73 73 SER HB2 H 1 3.897 0.020 . 2 . . . . 94 SER HB2 . 16425 1 813 . 1 1 73 73 SER HB3 H 1 3.897 0.020 . 2 . . . . 94 SER HB3 . 16425 1 814 . 1 1 73 73 SER C C 13 174.034 0.400 . 1 . . . . 94 SER C . 16425 1 815 . 1 1 73 73 SER CA C 13 57.985 0.400 . 1 . . . . 94 SER CA . 16425 1 816 . 1 1 73 73 SER CB C 13 63.217 0.400 . 1 . . . . 94 SER CB . 16425 1 817 . 1 1 73 73 SER N N 15 120.973 0.400 . 1 . . . . 94 SER N . 16425 1 818 . 1 1 74 74 ARG H H 1 7.685 0.020 . 1 . . . . 95 ARG H . 16425 1 819 . 1 1 74 74 ARG HA H 1 4.422 0.020 . 1 . . . . 95 ARG HA . 16425 1 820 . 1 1 74 74 ARG HB2 H 1 1.621 0.020 . 2 . . . . 95 ARG HB2 . 16425 1 821 . 1 1 74 74 ARG HB3 H 1 1.908 0.020 . 2 . . . . 95 ARG HB3 . 16425 1 822 . 1 1 74 74 ARG HD2 H 1 2.861 0.020 . 2 . . . . 95 ARG HD2 . 16425 1 823 . 1 1 74 74 ARG HD3 H 1 2.861 0.020 . 2 . . . . 95 ARG HD3 . 16425 1 824 . 1 1 74 74 ARG HG2 H 1 1.318 0.020 . 2 . . . . 95 ARG HG2 . 16425 1 825 . 1 1 74 74 ARG HG3 H 1 1.440 0.020 . 2 . . . . 95 ARG HG3 . 16425 1 826 . 1 1 74 74 ARG C C 13 173.825 0.400 . 1 . . . . 95 ARG C . 16425 1 827 . 1 1 74 74 ARG CA C 13 54.528 0.400 . 1 . . . . 95 ARG CA . 16425 1 828 . 1 1 74 74 ARG CB C 13 33.015 0.400 . 1 . . . . 95 ARG CB . 16425 1 829 . 1 1 74 74 ARG N N 15 120.153 0.400 . 1 . . . . 95 ARG N . 16425 1 830 . 1 1 75 75 PHE H H 1 8.299 0.020 . 1 . . . . 96 PHE H . 16425 1 831 . 1 1 75 75 PHE HA H 1 4.766 0.020 . 1 . . . . 96 PHE HA . 16425 1 832 . 1 1 75 75 PHE HB2 H 1 2.718 0.020 . 2 . . . . 96 PHE HB2 . 16425 1 833 . 1 1 75 75 PHE HB3 H 1 2.547 0.020 . 2 . . . . 96 PHE HB3 . 16425 1 834 . 1 1 75 75 PHE HD1 H 1 7.079 0.020 . 1 . . . . 96 PHE HD1 . 16425 1 835 . 1 1 75 75 PHE HD2 H 1 7.079 0.020 . 1 . . . . 96 PHE HD2 . 16425 1 836 . 1 1 75 75 PHE HE1 H 1 7.150 0.020 . 1 . . . . 96 PHE HE1 . 16425 1 837 . 1 1 75 75 PHE HE2 H 1 7.150 0.020 . 1 . . . . 96 PHE HE2 . 16425 1 838 . 1 1 75 75 PHE C C 13 176.230 0.400 . 1 . . . . 96 PHE C . 16425 1 839 . 1 1 75 75 PHE CA C 13 56.609 0.400 . 1 . . . . 96 PHE CA . 16425 1 840 . 1 1 75 75 PHE CB C 13 41.209 0.400 . 1 . . . . 96 PHE CB . 16425 1 841 . 1 1 75 75 PHE N N 15 117.999 0.400 . 1 . . . . 96 PHE N . 16425 1 842 . 1 1 76 76 LEU H H 1 9.179 0.020 . 1 . . . . 97 LEU H . 16425 1 843 . 1 1 76 76 LEU HA H 1 4.309 0.020 . 1 . . . . 97 LEU HA . 16425 1 844 . 1 1 76 76 LEU HB2 H 1 1.995 0.020 . 2 . . . . 97 LEU HB2 . 16425 1 845 . 1 1 76 76 LEU HB3 H 1 1.995 0.020 . 2 . . . . 97 LEU HB3 . 16425 1 846 . 1 1 76 76 LEU HD11 H 1 0.712 0.020 . 2 . . . . 97 LEU HD1 . 16425 1 847 . 1 1 76 76 LEU HD12 H 1 0.712 0.020 . 2 . . . . 97 LEU HD1 . 16425 1 848 . 1 1 76 76 LEU HD13 H 1 0.712 0.020 . 2 . . . . 97 LEU HD1 . 16425 1 849 . 1 1 76 76 LEU HD21 H 1 0.851 0.020 . 2 . . . . 97 LEU HD2 . 16425 1 850 . 1 1 76 76 LEU HD22 H 1 0.851 0.020 . 2 . . . . 97 LEU HD2 . 16425 1 851 . 1 1 76 76 LEU HD23 H 1 0.851 0.020 . 2 . . . . 97 LEU HD2 . 16425 1 852 . 1 1 76 76 LEU HG H 1 1.323 0.020 . 1 . . . . 97 LEU HG . 16425 1 853 . 1 1 76 76 LEU C C 13 177.458 0.400 . 1 . . . . 97 LEU C . 16425 1 854 . 1 1 76 76 LEU CA C 13 54.931 0.400 . 1 . . . . 97 LEU CA . 16425 1 855 . 1 1 76 76 LEU CD1 C 13 21.111 0.400 . 1 . . . . 97 LEU CD1 . 16425 1 856 . 1 1 76 76 LEU N N 15 121.645 0.400 . 1 . . . . 97 LEU N . 16425 1 857 . 1 1 77 77 LYS H H 1 8.077 0.020 . 1 . . . . 98 LYS H . 16425 1 858 . 1 1 77 77 LYS HA H 1 4.039 0.020 . 1 . . . . 98 LYS HA . 16425 1 859 . 1 1 77 77 LYS HB2 H 1 1.950 0.020 . 2 . . . . 98 LYS HB2 . 16425 1 860 . 1 1 77 77 LYS HB3 H 1 1.950 0.020 . 2 . . . . 98 LYS HB3 . 16425 1 861 . 1 1 77 77 LYS HD2 H 1 0.749 0.020 . 2 . . . . 98 LYS HD2 . 16425 1 862 . 1 1 77 77 LYS HD3 H 1 0.749 0.020 . 2 . . . . 98 LYS HD3 . 16425 1 863 . 1 1 77 77 LYS HE2 H 1 2.944 0.020 . 2 . . . . 98 LYS HE2 . 16425 1 864 . 1 1 77 77 LYS HE3 H 1 2.944 0.020 . 2 . . . . 98 LYS HE3 . 16425 1 865 . 1 1 77 77 LYS HG2 H 1 0.869 0.020 . 2 . . . . 98 LYS HG2 . 16425 1 866 . 1 1 77 77 LYS HG3 H 1 0.869 0.020 . 2 . . . . 98 LYS HG3 . 16425 1 867 . 1 1 77 77 LYS C C 13 175.106 0.400 . 1 . . . . 98 LYS C . 16425 1 868 . 1 1 77 77 LYS CA C 13 62.117 0.400 . 1 . . . . 98 LYS CA . 16425 1 869 . 1 1 77 77 LYS CE C 13 42.036 0.400 . 1 . . . . 98 LYS CE . 16425 1 870 . 1 1 77 77 LYS N N 15 121.084 0.400 . 1 . . . . 98 LYS N . 16425 1 871 . 1 1 78 78 CYS H H 1 8.605 0.020 . 1 . . . . 99 CYS H . 16425 1 872 . 1 1 78 78 CYS HA H 1 4.550 0.020 . 1 . . . . 99 CYS HA . 16425 1 873 . 1 1 78 78 CYS CA C 13 53.325 0.400 . 1 . . . . 99 CYS CA . 16425 1 874 . 1 1 78 78 CYS N N 15 123.512 0.400 . 1 . . . . 99 CYS N . 16425 1 875 . 1 1 79 79 GLY H H 1 8.010 0.020 . 1 . . . . 100 GLY H . 16425 1 876 . 1 1 79 79 GLY HA2 H 1 3.831 0.020 . 2 . . . . 100 GLY HA2 . 16425 1 877 . 1 1 79 79 GLY HA3 H 1 4.201 0.020 . 2 . . . . 100 GLY HA3 . 16425 1 878 . 1 1 79 79 GLY C C 13 171.786 0.400 . 1 . . . . 100 GLY C . 16425 1 879 . 1 1 79 79 GLY CA C 13 44.927 0.400 . 1 . . . . 100 GLY CA . 16425 1 880 . 1 1 79 79 GLY N N 15 122.136 0.400 . 1 . . . . 100 GLY N . 16425 1 881 . 1 1 80 80 TYR H H 1 8.643 0.020 . 1 . . . . 101 TYR H . 16425 1 882 . 1 1 80 80 TYR HA H 1 4.591 0.020 . 1 . . . . 101 TYR HA . 16425 1 883 . 1 1 80 80 TYR HB2 H 1 3.131 0.020 . 2 . . . . 101 TYR HB2 . 16425 1 884 . 1 1 80 80 TYR HB3 H 1 3.022 0.020 . 2 . . . . 101 TYR HB3 . 16425 1 885 . 1 1 80 80 TYR C C 13 177.667 0.400 . 1 . . . . 101 TYR C . 16425 1 886 . 1 1 80 80 TYR CA C 13 58.029 0.400 . 1 . . . . 101 TYR CA . 16425 1 887 . 1 1 80 80 TYR N N 15 118.321 0.400 . 1 . . . . 101 TYR N . 16425 1 888 . 1 1 81 81 SER H H 1 8.897 0.020 . 1 . . . . 102 SER H . 16425 1 889 . 1 1 81 81 SER HA H 1 4.900 0.020 . 1 . . . . 102 SER HA . 16425 1 890 . 1 1 81 81 SER HB2 H 1 3.759 0.020 . 2 . . . . 102 SER HB2 . 16425 1 891 . 1 1 81 81 SER HB3 H 1 3.938 0.020 . 2 . . . . 102 SER HB3 . 16425 1 892 . 1 1 81 81 SER C C 13 175.054 0.400 . 1 . . . . 102 SER C . 16425 1 893 . 1 1 81 81 SER CA C 13 56.472 0.400 . 1 . . . . 102 SER CA . 16425 1 894 . 1 1 81 81 SER CB C 13 64.387 0.400 . 1 . . . . 102 SER CB . 16425 1 895 . 1 1 81 81 SER N N 15 116.653 0.400 . 1 . . . . 102 SER N . 16425 1 896 . 1 1 82 82 SER H H 1 8.676 0.020 . 1 . . . . 103 SER H . 16425 1 897 . 1 1 82 82 SER HA H 1 4.277 0.020 . 1 . . . . 103 SER HA . 16425 1 898 . 1 1 82 82 SER HB2 H 1 3.761 0.020 . 2 . . . . 103 SER HB2 . 16425 1 899 . 1 1 82 82 SER HB3 H 1 3.902 0.020 . 2 . . . . 103 SER HB3 . 16425 1 900 . 1 1 82 82 SER C C 13 174.661 0.400 . 1 . . . . 103 SER C . 16425 1 901 . 1 1 82 82 SER CA C 13 58.624 0.400 . 1 . . . . 103 SER CA . 16425 1 902 . 1 1 82 82 SER CB C 13 63.571 0.400 . 1 . . . . 103 SER CB . 16425 1 903 . 1 1 82 82 SER N N 15 119.093 0.400 . 1 . . . . 103 SER N . 16425 1 904 . 1 1 83 83 ASN H H 1 8.328 0.020 . 1 . . . . 104 ASN H . 16425 1 905 . 1 1 83 83 ASN HA H 1 4.645 0.020 . 1 . . . . 104 ASN HA . 16425 1 906 . 1 1 83 83 ASN HB2 H 1 2.410 0.020 . 2 . . . . 104 ASN HB2 . 16425 1 907 . 1 1 83 83 ASN HB3 H 1 2.673 0.020 . 2 . . . . 104 ASN HB3 . 16425 1 908 . 1 1 83 83 ASN HD21 H 1 6.922 0.020 . 2 . . . . 104 ASN HD21 . 16425 1 909 . 1 1 83 83 ASN HD22 H 1 6.761 0.020 . 2 . . . . 104 ASN HD22 . 16425 1 910 . 1 1 83 83 ASN C C 13 175.498 0.400 . 1 . . . . 104 ASN C . 16425 1 911 . 1 1 83 83 ASN CA C 13 53.000 0.400 . 1 . . . . 104 ASN CA . 16425 1 912 . 1 1 83 83 ASN CB C 13 39.606 0.400 . 1 . . . . 104 ASN CB . 16425 1 913 . 1 1 83 83 ASN N N 15 120.075 0.400 . 1 . . . . 104 ASN N . 16425 1 914 . 1 1 83 83 ASN ND2 N 15 111.928 0.400 . 1 . . . . 104 ASN ND2 . 16425 1 915 . 1 1 84 84 SER H H 1 8.511 0.020 . 1 . . . . 105 SER H . 16425 1 916 . 1 1 84 84 SER HA H 1 4.285 0.020 . 1 . . . . 105 SER HA . 16425 1 917 . 1 1 84 84 SER HB2 H 1 3.770 0.020 . 2 . . . . 105 SER HB2 . 16425 1 918 . 1 1 84 84 SER HB3 H 1 3.770 0.020 . 2 . . . . 105 SER HB3 . 16425 1 919 . 1 1 84 84 SER C C 13 174.165 0.400 . 1 . . . . 105 SER C . 16425 1 920 . 1 1 84 84 SER CA C 13 59.066 0.400 . 1 . . . . 105 SER CA . 16425 1 921 . 1 1 84 84 SER CB C 13 63.883 0.400 . 1 . . . . 105 SER CB . 16425 1 922 . 1 1 84 84 SER N N 15 116.161 0.400 . 1 . . . . 105 SER N . 16425 1 stop_ save_