data_50110 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50110 _Entry.Title ; Sequential solid-state NMR assignment of Snu13p in Snu13p:Rsa1p:Hit1p complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-03 _Entry.Accession_date 2019-12-03 _Entry.Last_release_date 2019-12-03 _Entry.Original_release_date 2019-12-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Carole Gardiennet . . . 0000-0002-4883-7403 50110 2 Marc Quinternet . . . 0000-0002-8299-7136 50110 3 Xavier Manival . . . 0000-0002-7717-7096 50110 4 Marie-Eve Chagot . . . 0000-0001-6407-9131 50110 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Equipe Methodologie RMN, CRM2, UMR 7036 CNRS / Univ. Lorraine' . 50110 2 . 'IMoPA, UMR 7365 CNRS / Univ. Lorraine, Equipe ARN, RNP, Structure-Fonction-Maturation' . 50110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 50110 '15N chemical shifts' 106 50110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-05-29 2019-12-03 update BMRB 'update entry citation' 50110 1 . . 2019-12-23 2019-12-03 original author 'original release' 50110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15412 'Assignments for Snu13p' 50110 PDB 1ZWZ . 50110 PDB 2ALE . 50110 PDB 4NUT . 50110 SP P39990 . 50110 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50110 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32030621 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Box C/D snoRNPs: Solid-State NMR Fingerprint of an Early-Stage 50 kDa Assembly Intermediate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 131 _Citation.Page_last 140 _Citation.Year 2020 _Citation.Details 'Solid-state NMR [13C, 15N] resonance assignment of Snu13p in Snu13p:Rsa1p:Hit1p complex.' loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marie-Eve Chagot M. E. . . 50110 1 2 Marc Quinternet M. . . . 50110 1 3 Clemence Jacquemin C. . . . 50110 1 4 Xavier Manival X. . . . 50110 1 5 Carole Gardiennet C. . . . 50110 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Saccharomyces cerevisiae' 50110 1 Snu13p 50110 1 'snoRNP assembly' 50110 1 ssNMR 50110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50110 _Assembly.ID 1 _Assembly.Name 'Snu13p:Rsa1p:Hit1p protein complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 50000 _Assembly.Enzyme_commission_number . _Assembly.Details Snu13p:Rsa1p(238-352):Hit1p(70-154) _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 Snu13p 1 $entity_1 . . yes native no no . . . 50110 1 2 Rsa1p(238-352) 2 $entity_2 . . no native no no . . . 50110 1 3 Hit1p(70-164) 3 $entity_3 . . no native no no . . . 50110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPHMSAPNPKAFPLADAALT QQILDVVQQAANLRQLKKGA NEATKTLNRGISEFIIMAAD CEPIEILLHLPLLCEDKNVP YVFVPSRVALGRACGVSRPV IAASITTNDASAIKTQIYAV KDKIETLLI ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13568.90 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes SP P39990 . Snu13p . . . . . . . . . . . . . . 50110 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 -2 GLY . 50110 1 2 -1 PRO . 50110 1 3 0 HIS . 50110 1 4 1 MET . 50110 1 5 2 SER . 50110 1 6 3 ALA . 50110 1 7 4 PRO . 50110 1 8 5 ASN . 50110 1 9 6 PRO . 50110 1 10 7 LYS . 50110 1 11 8 ALA . 50110 1 12 9 PHE . 50110 1 13 10 PRO . 50110 1 14 11 LEU . 50110 1 15 12 ALA . 50110 1 16 13 ASP . 50110 1 17 14 ALA . 50110 1 18 15 ALA . 50110 1 19 16 LEU . 50110 1 20 17 THR . 50110 1 21 18 GLN . 50110 1 22 19 GLN . 50110 1 23 20 ILE . 50110 1 24 21 LEU . 50110 1 25 22 ASP . 50110 1 26 23 VAL . 50110 1 27 24 VAL . 50110 1 28 25 GLN . 50110 1 29 26 GLN . 50110 1 30 27 ALA . 50110 1 31 28 ALA . 50110 1 32 29 ASN . 50110 1 33 30 LEU . 50110 1 34 31 ARG . 50110 1 35 32 GLN . 50110 1 36 33 LEU . 50110 1 37 34 LYS . 50110 1 38 35 LYS . 50110 1 39 36 GLY . 50110 1 40 37 ALA . 50110 1 41 38 ASN . 50110 1 42 39 GLU . 50110 1 43 40 ALA . 50110 1 44 41 THR . 50110 1 45 42 LYS . 50110 1 46 43 THR . 50110 1 47 44 LEU . 50110 1 48 45 ASN . 50110 1 49 46 ARG . 50110 1 50 47 GLY . 50110 1 51 48 ILE . 50110 1 52 49 SER . 50110 1 53 50 GLU . 50110 1 54 51 PHE . 50110 1 55 52 ILE . 50110 1 56 53 ILE . 50110 1 57 54 MET . 50110 1 58 55 ALA . 50110 1 59 56 ALA . 50110 1 60 57 ASP . 50110 1 61 58 CYS . 50110 1 62 59 GLU . 50110 1 63 60 PRO . 50110 1 64 61 ILE . 50110 1 65 62 GLU . 50110 1 66 63 ILE . 50110 1 67 64 LEU . 50110 1 68 65 LEU . 50110 1 69 66 HIS . 50110 1 70 67 LEU . 50110 1 71 68 PRO . 50110 1 72 69 LEU . 50110 1 73 70 LEU . 50110 1 74 71 CYS . 50110 1 75 72 GLU . 50110 1 76 73 ASP . 50110 1 77 74 LYS . 50110 1 78 75 ASN . 50110 1 79 76 VAL . 50110 1 80 77 PRO . 50110 1 81 78 TYR . 50110 1 82 79 VAL . 50110 1 83 80 PHE . 50110 1 84 81 VAL . 50110 1 85 82 PRO . 50110 1 86 83 SER . 50110 1 87 84 ARG . 50110 1 88 85 VAL . 50110 1 89 86 ALA . 50110 1 90 87 LEU . 50110 1 91 88 GLY . 50110 1 92 89 ARG . 50110 1 93 90 ALA . 50110 1 94 91 CYS . 50110 1 95 92 GLY . 50110 1 96 93 VAL . 50110 1 97 94 SER . 50110 1 98 95 ARG . 50110 1 99 96 PRO . 50110 1 100 97 VAL . 50110 1 101 98 ILE . 50110 1 102 99 ALA . 50110 1 103 100 ALA . 50110 1 104 101 SER . 50110 1 105 102 ILE . 50110 1 106 103 THR . 50110 1 107 104 THR . 50110 1 108 105 ASN . 50110 1 109 106 ASP . 50110 1 110 107 ALA . 50110 1 111 108 SER . 50110 1 112 109 ALA . 50110 1 113 110 ILE . 50110 1 114 111 LYS . 50110 1 115 112 THR . 50110 1 116 113 GLN . 50110 1 117 114 ILE . 50110 1 118 115 TYR . 50110 1 119 116 ALA . 50110 1 120 117 VAL . 50110 1 121 118 LYS . 50110 1 122 119 ASP . 50110 1 123 120 LYS . 50110 1 124 121 ILE . 50110 1 125 122 GLU . 50110 1 126 123 THR . 50110 1 127 124 LEU . 50110 1 128 125 LEU . 50110 1 129 126 ILE . 50110 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50110 1 . PRO 2 2 50110 1 . HIS 3 3 50110 1 . MET 4 4 50110 1 . SER 5 5 50110 1 . ALA 6 6 50110 1 . PRO 7 7 50110 1 . ASN 8 8 50110 1 . PRO 9 9 50110 1 . LYS 10 10 50110 1 . ALA 11 11 50110 1 . PHE 12 12 50110 1 . PRO 13 13 50110 1 . LEU 14 14 50110 1 . ALA 15 15 50110 1 . ASP 16 16 50110 1 . ALA 17 17 50110 1 . ALA 18 18 50110 1 . LEU 19 19 50110 1 . THR 20 20 50110 1 . GLN 21 21 50110 1 . GLN 22 22 50110 1 . ILE 23 23 50110 1 . LEU 24 24 50110 1 . ASP 25 25 50110 1 . VAL 26 26 50110 1 . VAL 27 27 50110 1 . GLN 28 28 50110 1 . GLN 29 29 50110 1 . ALA 30 30 50110 1 . ALA 31 31 50110 1 . ASN 32 32 50110 1 . LEU 33 33 50110 1 . ARG 34 34 50110 1 . GLN 35 35 50110 1 . LEU 36 36 50110 1 . LYS 37 37 50110 1 . LYS 38 38 50110 1 . GLY 39 39 50110 1 . ALA 40 40 50110 1 . ASN 41 41 50110 1 . GLU 42 42 50110 1 . ALA 43 43 50110 1 . THR 44 44 50110 1 . LYS 45 45 50110 1 . THR 46 46 50110 1 . LEU 47 47 50110 1 . ASN 48 48 50110 1 . ARG 49 49 50110 1 . GLY 50 50 50110 1 . ILE 51 51 50110 1 . SER 52 52 50110 1 . GLU 53 53 50110 1 . PHE 54 54 50110 1 . ILE 55 55 50110 1 . ILE 56 56 50110 1 . MET 57 57 50110 1 . ALA 58 58 50110 1 . ALA 59 59 50110 1 . ASP 60 60 50110 1 . CYS 61 61 50110 1 . GLU 62 62 50110 1 . PRO 63 63 50110 1 . ILE 64 64 50110 1 . GLU 65 65 50110 1 . ILE 66 66 50110 1 . LEU 67 67 50110 1 . LEU 68 68 50110 1 . HIS 69 69 50110 1 . LEU 70 70 50110 1 . PRO 71 71 50110 1 . LEU 72 72 50110 1 . LEU 73 73 50110 1 . CYS 74 74 50110 1 . GLU 75 75 50110 1 . ASP 76 76 50110 1 . LYS 77 77 50110 1 . ASN 78 78 50110 1 . VAL 79 79 50110 1 . PRO 80 80 50110 1 . TYR 81 81 50110 1 . VAL 82 82 50110 1 . PHE 83 83 50110 1 . VAL 84 84 50110 1 . PRO 85 85 50110 1 . SER 86 86 50110 1 . ARG 87 87 50110 1 . VAL 88 88 50110 1 . ALA 89 89 50110 1 . LEU 90 90 50110 1 . GLY 91 91 50110 1 . ARG 92 92 50110 1 . ALA 93 93 50110 1 . CYS 94 94 50110 1 . GLY 95 95 50110 1 . VAL 96 96 50110 1 . SER 97 97 50110 1 . ARG 98 98 50110 1 . PRO 99 99 50110 1 . VAL 100 100 50110 1 . ILE 101 101 50110 1 . ALA 102 102 50110 1 . ALA 103 103 50110 1 . SER 104 104 50110 1 . ILE 105 105 50110 1 . THR 106 106 50110 1 . THR 107 107 50110 1 . ASN 108 108 50110 1 . ASP 109 109 50110 1 . ALA 110 110 50110 1 . SER 111 111 50110 1 . ALA 112 112 50110 1 . ILE 113 113 50110 1 . LYS 114 114 50110 1 . THR 115 115 50110 1 . GLN 116 116 50110 1 . ILE 117 117 50110 1 . TYR 118 118 50110 1 . ALA 119 119 50110 1 . VAL 120 120 50110 1 . LYS 121 121 50110 1 . ASP 122 122 50110 1 . LYS 123 123 50110 1 . ILE 124 124 50110 1 . GLU 125 125 50110 1 . THR 126 126 50110 1 . LEU 127 127 50110 1 . LEU 128 128 50110 1 . ILE 129 129 50110 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50110 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMDEDVKKWREERKKMWL LKISNNKQKHMQEMGIKEDE LKSQPSIFKESRKEKQFIQS IQNQVQRGNPKIDLNLKLIQ REFANENSQLLDFIRELGDV GLLEYELSQQEKDVLFGS ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14072.15 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q08932-1 . . . . . . . . . . . . . . . . 50110 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'assembly factor of box C/D snoRNP' 50110 2 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 . GLY . 50110 2 2 . PRO . 50110 2 3 . HIS . 50110 2 4 . MET . 50110 2 5 . ASP . 50110 2 6 . GLU . 50110 2 7 . ASP . 50110 2 8 . VAL . 50110 2 9 . LYS . 50110 2 10 . LYS . 50110 2 11 . TRP . 50110 2 12 . ARG . 50110 2 13 . GLU . 50110 2 14 . GLU . 50110 2 15 . ARG . 50110 2 16 . LYS . 50110 2 17 . LYS . 50110 2 18 . MET . 50110 2 19 . TRP . 50110 2 20 . LEU . 50110 2 21 . LEU . 50110 2 22 . LYS . 50110 2 23 . ILE . 50110 2 24 . SER . 50110 2 25 . ASN . 50110 2 26 . ASN . 50110 2 27 . LYS . 50110 2 28 . GLN . 50110 2 29 . LYS . 50110 2 30 . HIS . 50110 2 31 . MET . 50110 2 32 . GLN . 50110 2 33 . GLU . 50110 2 34 . MET . 50110 2 35 . GLY . 50110 2 36 . ILE . 50110 2 37 . LYS . 50110 2 38 . GLU . 50110 2 39 . ASP . 50110 2 40 . GLU . 50110 2 41 . LEU . 50110 2 42 . LYS . 50110 2 43 . SER . 50110 2 44 . GLN . 50110 2 45 . PRO . 50110 2 46 . SER . 50110 2 47 . ILE . 50110 2 48 . PHE . 50110 2 49 . LYS . 50110 2 50 . GLU . 50110 2 51 . SER . 50110 2 52 . ARG . 50110 2 53 . LYS . 50110 2 54 . GLU . 50110 2 55 . LYS . 50110 2 56 . GLN . 50110 2 57 . PHE . 50110 2 58 . ILE . 50110 2 59 . GLN . 50110 2 60 . SER . 50110 2 61 . ILE . 50110 2 62 . GLN . 50110 2 63 . ASN . 50110 2 64 . GLN . 50110 2 65 . VAL . 50110 2 66 . GLN . 50110 2 67 . ARG . 50110 2 68 . GLY . 50110 2 69 . ASN . 50110 2 70 . PRO . 50110 2 71 . LYS . 50110 2 72 . ILE . 50110 2 73 . ASP . 50110 2 74 . LEU . 50110 2 75 . ASN . 50110 2 76 . LEU . 50110 2 77 . LYS . 50110 2 78 . LEU . 50110 2 79 . ILE . 50110 2 80 . GLN . 50110 2 81 . ARG . 50110 2 82 . GLU . 50110 2 83 . PHE . 50110 2 84 . ALA . 50110 2 85 . ASN . 50110 2 86 . GLU . 50110 2 87 . ASN . 50110 2 88 . SER . 50110 2 89 . GLN . 50110 2 90 . LEU . 50110 2 91 . LEU . 50110 2 92 . ASP . 50110 2 93 . PHE . 50110 2 94 . ILE . 50110 2 95 . ARG . 50110 2 96 . GLU . 50110 2 97 . LEU . 50110 2 98 . GLY . 50110 2 99 . ASP . 50110 2 100 . VAL . 50110 2 101 . GLY . 50110 2 102 . LEU . 50110 2 103 . LEU . 50110 2 104 . GLU . 50110 2 105 . TYR . 50110 2 106 . GLU . 50110 2 107 . LEU . 50110 2 108 . SER . 50110 2 109 . GLN . 50110 2 110 . GLN . 50110 2 111 . GLU . 50110 2 112 . LYS . 50110 2 113 . ASP . 50110 2 114 . VAL . 50110 2 115 . LEU . 50110 2 116 . PHE . 50110 2 117 . GLY . 50110 2 118 . SER . 50110 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 . GLY 1 1 50110 2 . PRO 2 2 50110 2 . HIS 3 3 50110 2 . MET 4 4 50110 2 . ASP 5 5 50110 2 . GLU 6 6 50110 2 . ASP 7 7 50110 2 . VAL 8 8 50110 2 . LYS 9 9 50110 2 . LYS 10 10 50110 2 . TRP 11 11 50110 2 . ARG 12 12 50110 2 . GLU 13 13 50110 2 . GLU 14 14 50110 2 . ARG 15 15 50110 2 . LYS 16 16 50110 2 . LYS 17 17 50110 2 . MET 18 18 50110 2 . TRP 19 19 50110 2 . LEU 20 20 50110 2 . LEU 21 21 50110 2 . LYS 22 22 50110 2 . ILE 23 23 50110 2 . SER 24 24 50110 2 . ASN 25 25 50110 2 . ASN 26 26 50110 2 . LYS 27 27 50110 2 . GLN 28 28 50110 2 . LYS 29 29 50110 2 . HIS 30 30 50110 2 . MET 31 31 50110 2 . GLN 32 32 50110 2 . GLU 33 33 50110 2 . MET 34 34 50110 2 . GLY 35 35 50110 2 . ILE 36 36 50110 2 . LYS 37 37 50110 2 . GLU 38 38 50110 2 . ASP 39 39 50110 2 . GLU 40 40 50110 2 . LEU 41 41 50110 2 . LYS 42 42 50110 2 . SER 43 43 50110 2 . GLN 44 44 50110 2 . PRO 45 45 50110 2 . SER 46 46 50110 2 . ILE 47 47 50110 2 . PHE 48 48 50110 2 . LYS 49 49 50110 2 . GLU 50 50 50110 2 . SER 51 51 50110 2 . ARG 52 52 50110 2 . LYS 53 53 50110 2 . GLU 54 54 50110 2 . LYS 55 55 50110 2 . GLN 56 56 50110 2 . PHE 57 57 50110 2 . ILE 58 58 50110 2 . GLN 59 59 50110 2 . SER 60 60 50110 2 . ILE 61 61 50110 2 . GLN 62 62 50110 2 . ASN 63 63 50110 2 . GLN 64 64 50110 2 . VAL 65 65 50110 2 . GLN 66 66 50110 2 . ARG 67 67 50110 2 . GLY 68 68 50110 2 . ASN 69 69 50110 2 . PRO 70 70 50110 2 . LYS 71 71 50110 2 . ILE 72 72 50110 2 . ASP 73 73 50110 2 . LEU 74 74 50110 2 . ASN 75 75 50110 2 . LEU 76 76 50110 2 . LYS 77 77 50110 2 . LEU 78 78 50110 2 . ILE 79 79 50110 2 . GLN 80 80 50110 2 . ARG 81 81 50110 2 . GLU 82 82 50110 2 . PHE 83 83 50110 2 . ALA 84 84 50110 2 . ASN 85 85 50110 2 . GLU 86 86 50110 2 . ASN 87 87 50110 2 . SER 88 88 50110 2 . GLN 89 89 50110 2 . LEU 90 90 50110 2 . LEU 91 91 50110 2 . ASP 92 92 50110 2 . PHE 93 93 50110 2 . ILE 94 94 50110 2 . ARG 95 95 50110 2 . GLU 96 96 50110 2 . LEU 97 97 50110 2 . GLY 98 98 50110 2 . ASP 99 99 50110 2 . VAL 100 100 50110 2 . GLY 101 101 50110 2 . LEU 102 102 50110 2 . LEU 103 103 50110 2 . GLU 104 104 50110 2 . TYR 105 105 50110 2 . GLU 106 106 50110 2 . LEU 107 107 50110 2 . SER 108 108 50110 2 . GLN 109 109 50110 2 . GLN 110 110 50110 2 . GLU 111 111 50110 2 . LYS 112 112 50110 2 . ASP 113 113 50110 2 . VAL 114 114 50110 2 . LEU 115 115 50110 2 . PHE 116 116 50110 2 . GLY 117 117 50110 2 . SER 118 118 50110 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 50110 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKTLKTKAFDDIYQNSAEL QELLKYNTVKFHLAKVYRIL SSTVNDGSSGKMNSDLQKEL AVNYLNTLRYGGIHYNEAIE EFCQILLDKLNAVKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'fragment 70-164' _Entity.Polymer_author_seq_details native _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment 70-164 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes UNP P46973-1 . . . . . . . . . . . . . . . . 50110 3 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'assembly factor of box C/D snoRNP' 50110 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 . MET . 50110 3 2 . ASN . 50110 3 3 . LYS . 50110 3 4 . THR . 50110 3 5 . LEU . 50110 3 6 . LYS . 50110 3 7 . THR . 50110 3 8 . LYS . 50110 3 9 . ALA . 50110 3 10 . PHE . 50110 3 11 . ASP . 50110 3 12 . ASP . 50110 3 13 . ILE . 50110 3 14 . TYR . 50110 3 15 . GLN . 50110 3 16 . ASN . 50110 3 17 . SER . 50110 3 18 . ALA . 50110 3 19 . GLU . 50110 3 20 . LEU . 50110 3 21 . GLN . 50110 3 22 . GLU . 50110 3 23 . LEU . 50110 3 24 . LEU . 50110 3 25 . LYS . 50110 3 26 . TYR . 50110 3 27 . ASN . 50110 3 28 . THR . 50110 3 29 . VAL . 50110 3 30 . LYS . 50110 3 31 . PHE . 50110 3 32 . HIS . 50110 3 33 . LEU . 50110 3 34 . ALA . 50110 3 35 . LYS . 50110 3 36 . VAL . 50110 3 37 . TYR . 50110 3 38 . ARG . 50110 3 39 . ILE . 50110 3 40 . LEU . 50110 3 41 . SER . 50110 3 42 . SER . 50110 3 43 . THR . 50110 3 44 . VAL . 50110 3 45 . ASN . 50110 3 46 . ASP . 50110 3 47 . GLY . 50110 3 48 . SER . 50110 3 49 . SER . 50110 3 50 . GLY . 50110 3 51 . LYS . 50110 3 52 . MET . 50110 3 53 . ASN . 50110 3 54 . SER . 50110 3 55 . ASP . 50110 3 56 . LEU . 50110 3 57 . GLN . 50110 3 58 . LYS . 50110 3 59 . GLU . 50110 3 60 . LEU . 50110 3 61 . ALA . 50110 3 62 . VAL . 50110 3 63 . ASN . 50110 3 64 . TYR . 50110 3 65 . LEU . 50110 3 66 . ASN . 50110 3 67 . THR . 50110 3 68 . LEU . 50110 3 69 . ARG . 50110 3 70 . TYR . 50110 3 71 . GLY . 50110 3 72 . GLY . 50110 3 73 . ILE . 50110 3 74 . HIS . 50110 3 75 . TYR . 50110 3 76 . ASN . 50110 3 77 . GLU . 50110 3 78 . ALA . 50110 3 79 . ILE . 50110 3 80 . GLU . 50110 3 81 . GLU . 50110 3 82 . PHE . 50110 3 83 . CYS . 50110 3 84 . GLN . 50110 3 85 . ILE . 50110 3 86 . LEU . 50110 3 87 . LEU . 50110 3 88 . ASP . 50110 3 89 . LYS . 50110 3 90 . LEU . 50110 3 91 . ASN . 50110 3 92 . ALA . 50110 3 93 . VAL . 50110 3 94 . LYS . 50110 3 95 . LYS . 50110 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 . MET 1 1 50110 3 . ASN 2 2 50110 3 . LYS 3 3 50110 3 . THR 4 4 50110 3 . LEU 5 5 50110 3 . LYS 6 6 50110 3 . THR 7 7 50110 3 . LYS 8 8 50110 3 . ALA 9 9 50110 3 . PHE 10 10 50110 3 . ASP 11 11 50110 3 . ASP 12 12 50110 3 . ILE 13 13 50110 3 . TYR 14 14 50110 3 . GLN 15 15 50110 3 . ASN 16 16 50110 3 . SER 17 17 50110 3 . ALA 18 18 50110 3 . GLU 19 19 50110 3 . LEU 20 20 50110 3 . GLN 21 21 50110 3 . GLU 22 22 50110 3 . LEU 23 23 50110 3 . LEU 24 24 50110 3 . LYS 25 25 50110 3 . TYR 26 26 50110 3 . ASN 27 27 50110 3 . THR 28 28 50110 3 . VAL 29 29 50110 3 . LYS 30 30 50110 3 . PHE 31 31 50110 3 . HIS 32 32 50110 3 . LEU 33 33 50110 3 . ALA 34 34 50110 3 . LYS 35 35 50110 3 . VAL 36 36 50110 3 . TYR 37 37 50110 3 . ARG 38 38 50110 3 . ILE 39 39 50110 3 . LEU 40 40 50110 3 . SER 41 41 50110 3 . SER 42 42 50110 3 . THR 43 43 50110 3 . VAL 44 44 50110 3 . ASN 45 45 50110 3 . ASP 46 46 50110 3 . GLY 47 47 50110 3 . SER 48 48 50110 3 . SER 49 49 50110 3 . GLY 50 50 50110 3 . LYS 51 51 50110 3 . MET 52 52 50110 3 . ASN 53 53 50110 3 . SER 54 54 50110 3 . ASP 55 55 50110 3 . LEU 56 56 50110 3 . GLN 57 57 50110 3 . LYS 58 58 50110 3 . GLU 59 59 50110 3 . LEU 60 60 50110 3 . ALA 61 61 50110 3 . VAL 62 62 50110 3 . ASN 63 63 50110 3 . TYR 64 64 50110 3 . LEU 65 65 50110 3 . ASN 66 66 50110 3 . THR 67 67 50110 3 . LEU 68 68 50110 3 . ARG 69 69 50110 3 . TYR 70 70 50110 3 . GLY 71 71 50110 3 . GLY 72 72 50110 3 . ILE 73 73 50110 3 . HIS 74 74 50110 3 . TYR 75 75 50110 3 . ASN 76 76 50110 3 . GLU 77 77 50110 3 . ALA 78 78 50110 3 . ILE 79 79 50110 3 . GLU 80 80 50110 3 . GLU 81 81 50110 3 . PHE 82 82 50110 3 . CYS 83 83 50110 3 . GLN 84 84 50110 3 . ILE 85 85 50110 3 . LEU 86 86 50110 3 . LEU 87 87 50110 3 . ASP 88 88 50110 3 . LYS 89 89 50110 3 . LEU 90 90 50110 3 . ASN 91 91 50110 3 . ALA 92 92 50110 3 . VAL 93 93 50110 3 . LYS 94 94 50110 3 . LYS 95 95 50110 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . SNU13 . 50110 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . RSA1 . 50110 1 3 3 $entity_3 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . HIT1 . 50110 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pRARE2 . plasmid . . pnEA . . . 50110 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pRARE2 . plasmid . . pnEA . . . 50110 1 3 3 $entity_3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pRARE2 . plasmid . . pnCS . . . 50110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50110 _Sample.ID 1 _Sample.Name . _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details 'In the complex, only Snu13p is {13C, 15N} isotopically enriched' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system 100%H2O _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 Snu13p '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . mg/mL . . . . 50110 1 2 Rsa1p(238-352) 'natural abundance' . . 2 $entity_2 . . 200 . . mg/mL . . . . 50110 1 3 Hit1p(70-164) 'natural abundance' . . 3 $entity_3 . . 200 . . mg/mL . . . . 50110 1 4 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 50110 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50110 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50110 1 7 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 50110 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50110 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 50110 1 pH 7.5 . pH 50110 1 pressure 1 . atm 50110 1 temperature 278 . K 50110 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50110 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50110 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50110 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50110 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50110 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50110 2 . 'data analysis' 50110 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Wide-bore 800 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50110 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Standard-bore 950 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50110 _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 DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50110 1 2 '2D DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50110 1 3 '2D DREAM' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50110 1 4 '2D NCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50110 1 5 '2D NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50110 1 6 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50110 1 7 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50110 1 8 '3D NCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50110 1 9 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 50110 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 50110 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 DARR' . . . 50110 1 2 '2D DARR' . . . 50110 1 3 '2D DREAM' . . . 50110 1 4 '2D NCA' . . . 50110 1 5 '2D NCO' . . . 50110 1 6 '3D NCACX' . . . 50110 1 7 '3D NCACX' . . . 50110 1 8 '3D NCACB' . . . 50110 1 9 '3D CANCO' . . . 50110 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 ALA CA C 13 50.466 0.136 . 1 . . . . . 3 ALA CA . 50110 1 2 . 1 . 1 6 6 ALA CB C 13 18.353 0.027 . 1 . . . . . 3 ALA CB . 50110 1 3 . 1 . 1 6 6 ALA N N 15 127.161 0.000 . 1 . . . . . 3 ALA N . 50110 1 4 . 1 . 1 8 8 ASN CA C 13 51.925 0.011 . 1 . . . . . 5 ASN CA . 50110 1 5 . 1 . 1 8 8 ASN CB C 13 39.529 0.054 . 1 . . . . . 5 ASN CB . 50110 1 6 . 1 . 1 9 9 PRO C C 13 177.165 0.000 . 1 . . . . . 6 PRO C . 50110 1 7 . 1 . 1 9 9 PRO CA C 13 64.071 0.045 . 1 . . . . . 6 PRO CA . 50110 1 8 . 1 . 1 9 9 PRO CB C 13 32.270 0.064 . 1 . . . . . 6 PRO CB . 50110 1 9 . 1 . 1 9 9 PRO CG C 13 27.449 0.129 . 1 . . . . . 6 PRO CG . 50110 1 10 . 1 . 1 9 9 PRO CD C 13 51.035 0.102 . 1 . . . . . 6 PRO CD . 50110 1 11 . 1 . 1 10 10 LYS C C 13 175.663 0.000 . 1 . . . . . 7 LYS C . 50110 1 12 . 1 . 1 10 10 LYS CA C 13 57.680 0.102 . 1 . . . . . 7 LYS CA . 50110 1 13 . 1 . 1 10 10 LYS CB C 13 32.428 0.000 . 1 . . . . . 7 LYS CB . 50110 1 14 . 1 . 1 10 10 LYS N N 15 115.300 0.000 . 1 . . . . . 7 LYS N . 50110 1 15 . 1 . 1 11 11 ALA C C 13 172.549 0.089 . 1 . . . . . 8 ALA C . 50110 1 16 . 1 . 1 11 11 ALA CA C 13 49.524 0.169 . 1 . . . . . 8 ALA CA . 50110 1 17 . 1 . 1 11 11 ALA CB C 13 17.534 0.043 . 1 . . . . . 8 ALA CB . 50110 1 18 . 1 . 1 11 11 ALA N N 15 120.880 0.042 . 1 . . . . . 8 ALA N . 50110 1 19 . 1 . 1 12 12 PHE C C 13 172.590 0.055 . 1 . . . . . 9 PHE C . 50110 1 20 . 1 . 1 12 12 PHE CA C 13 54.259 0.000 . 1 . . . . . 9 PHE CA . 50110 1 21 . 1 . 1 12 12 PHE N N 15 126.549 0.000 . 1 . . . . . 9 PHE N . 50110 1 22 . 1 . 1 13 13 PRO C C 13 173.344 0.106 . 1 . . . . . 10 PRO C . 50110 1 23 . 1 . 1 13 13 PRO CA C 13 62.568 0.171 . 1 . . . . . 10 PRO CA . 50110 1 24 . 1 . 1 13 13 PRO CB C 13 33.438 0.072 . 1 . . . . . 10 PRO CB . 50110 1 25 . 1 . 1 13 13 PRO CG C 13 24.909 0.030 . 1 . . . . . 10 PRO CG . 50110 1 26 . 1 . 1 13 13 PRO CD C 13 50.115 0.087 . 1 . . . . . 10 PRO CD . 50110 1 27 . 1 . 1 13 13 PRO N N 15 131.762 0.247 . 1 . . . . . 10 PRO N . 50110 1 28 . 1 . 1 14 14 LEU C C 13 175.269 0.066 . 1 . . . . . 11 LEU C . 50110 1 29 . 1 . 1 14 14 LEU CA C 13 52.907 0.087 . 1 . . . . . 11 LEU CA . 50110 1 30 . 1 . 1 14 14 LEU CB C 13 43.791 0.101 . 1 . . . . . 11 LEU CB . 50110 1 31 . 1 . 1 14 14 LEU CG C 13 26.644 0.040 . 1 . . . . . 11 LEU CG . 50110 1 32 . 1 . 1 14 14 LEU CD1 C 13 23.440 0.014 . 1 . . . . . 11 LEU CD1 . 50110 1 33 . 1 . 1 14 14 LEU N N 15 125.580 0.055 . 1 . . . . . 11 LEU N . 50110 1 34 . 1 . 1 15 15 ALA C C 13 175.901 0.100 . 1 . . . . . 12 ALA C . 50110 1 35 . 1 . 1 15 15 ALA CA C 13 53.009 0.074 . 1 . . . . . 12 ALA CA . 50110 1 36 . 1 . 1 15 15 ALA CB C 13 20.444 0.058 . 1 . . . . . 12 ALA CB . 50110 1 37 . 1 . 1 15 15 ALA N N 15 129.203 0.198 . 1 . . . . . 12 ALA N . 50110 1 38 . 1 . 1 16 16 ASP C C 13 177.164 0.103 . 1 . . . . . 13 ASP C . 50110 1 39 . 1 . 1 16 16 ASP CA C 13 52.257 0.069 . 1 . . . . . 13 ASP CA . 50110 1 40 . 1 . 1 16 16 ASP CB C 13 40.819 0.077 . 1 . . . . . 13 ASP CB . 50110 1 41 . 1 . 1 16 16 ASP CG C 13 179.207 0.048 . 1 . . . . . 13 ASP CG . 50110 1 42 . 1 . 1 16 16 ASP N N 15 118.113 0.205 . 1 . . . . . 13 ASP N . 50110 1 43 . 1 . 1 17 17 ALA C C 13 180.544 0.105 . 1 . . . . . 14 ALA C . 50110 1 44 . 1 . 1 17 17 ALA CA C 13 56.491 0.108 . 1 . . . . . 14 ALA CA . 50110 1 45 . 1 . 1 17 17 ALA CB C 13 18.152 0.104 . 1 . . . . . 14 ALA CB . 50110 1 46 . 1 . 1 17 17 ALA N N 15 124.719 0.159 . 1 . . . . . 14 ALA N . 50110 1 47 . 1 . 1 18 18 ALA C C 13 181.023 0.066 . 1 . . . . . 15 ALA C . 50110 1 48 . 1 . 1 18 18 ALA CA C 13 54.981 0.111 . 1 . . . . . 15 ALA CA . 50110 1 49 . 1 . 1 18 18 ALA CB C 13 18.302 0.071 . 1 . . . . . 15 ALA CB . 50110 1 50 . 1 . 1 18 18 ALA N N 15 121.773 0.102 . 1 . . . . . 15 ALA N . 50110 1 51 . 1 . 1 19 19 LEU C C 13 179.257 0.028 . 1 . . . . . 16 LEU C . 50110 1 52 . 1 . 1 19 19 LEU CA C 13 57.095 0.135 . 1 . . . . . 16 LEU CA . 50110 1 53 . 1 . 1 19 19 LEU CB C 13 41.248 0.043 . 1 . . . . . 16 LEU CB . 50110 1 54 . 1 . 1 19 19 LEU CG C 13 26.254 0.002 . 1 . . . . . 16 LEU CG . 50110 1 55 . 1 . 1 19 19 LEU N N 15 121.318 0.173 . 1 . . . . . 16 LEU N . 50110 1 56 . 1 . 1 20 20 THR C C 13 175.547 0.065 . 1 . . . . . 17 THR C . 50110 1 57 . 1 . 1 20 20 THR CA C 13 68.961 0.072 . 1 . . . . . 17 THR CA . 50110 1 58 . 1 . 1 20 20 THR CB C 13 67.867 0.045 . 1 . . . . . 17 THR CB . 50110 1 59 . 1 . 1 20 20 THR CG2 C 13 21.891 0.050 . 1 . . . . . 17 THR CG2 . 50110 1 60 . 1 . 1 20 20 THR N N 15 117.998 0.113 . 1 . . . . . 17 THR N . 50110 1 61 . 1 . 1 21 21 GLN C C 13 178.085 0.000 . 1 . . . . . 18 GLN C . 50110 1 62 . 1 . 1 21 21 GLN CA C 13 59.202 0.120 . 1 . . . . . 18 GLN CA . 50110 1 63 . 1 . 1 21 21 GLN CB C 13 28.331 0.042 . 1 . . . . . 18 GLN CB . 50110 1 64 . 1 . 1 21 21 GLN CG C 13 33.971 0.000 . 1 . . . . . 18 GLN CG . 50110 1 65 . 1 . 1 21 21 GLN N N 15 118.813 0.203 . 1 . . . . . 18 GLN N . 50110 1 66 . 1 . 1 22 22 GLN C C 13 179.244 0.000 . 1 . . . . . 19 GLN C . 50110 1 67 . 1 . 1 23 23 ILE C C 13 177.588 0.107 . 1 . . . . . 20 ILE C . 50110 1 68 . 1 . 1 23 23 ILE CA C 13 65.337 0.070 . 1 . . . . . 20 ILE CA . 50110 1 69 . 1 . 1 23 23 ILE CB C 13 38.018 0.074 . 1 . . . . . 20 ILE CB . 50110 1 70 . 1 . 1 23 23 ILE CG1 C 13 30.572 0.099 . 1 . . . . . 20 ILE CG1 . 50110 1 71 . 1 . 1 23 23 ILE CG2 C 13 18.597 0.075 . 1 . . . . . 20 ILE CG2 . 50110 1 72 . 1 . 1 23 23 ILE CD1 C 13 16.465 0.096 . 1 . . . . . 20 ILE CD1 . 50110 1 73 . 1 . 1 23 23 ILE N N 15 120.408 0.177 . 1 . . . . . 20 ILE N . 50110 1 74 . 1 . 1 24 24 LEU C C 13 179.394 0.000 . 1 . . . . . 21 LEU C . 50110 1 75 . 1 . 1 24 24 LEU CA C 13 57.747 0.092 . 1 . . . . . 21 LEU CA . 50110 1 76 . 1 . 1 24 24 LEU CB C 13 39.126 0.131 . 1 . . . . . 21 LEU CB . 50110 1 77 . 1 . 1 24 24 LEU CG C 13 26.211 0.025 . 1 . . . . . 21 LEU CG . 50110 1 78 . 1 . 1 24 24 LEU CD1 C 13 21.836 0.063 . 1 . . . . . 21 LEU CD1 . 50110 1 79 . 1 . 1 24 24 LEU N N 15 118.281 0.177 . 1 . . . . . 21 LEU N . 50110 1 80 . 1 . 1 25 25 ASP C C 13 178.723 0.071 . 1 . . . . . 22 ASP C . 50110 1 81 . 1 . 1 25 25 ASP CA C 13 57.659 0.074 . 1 . . . . . 22 ASP CA . 50110 1 82 . 1 . 1 25 25 ASP CB C 13 40.487 0.182 . 1 . . . . . 22 ASP CB . 50110 1 83 . 1 . 1 25 25 ASP N N 15 120.820 0.245 . 1 . . . . . 22 ASP N . 50110 1 84 . 1 . 1 26 26 VAL C C 13 177.714 0.087 . 1 . . . . . 23 VAL C . 50110 1 85 . 1 . 1 26 26 VAL CA C 13 66.450 0.134 . 1 . . . . . 23 VAL CA . 50110 1 86 . 1 . 1 26 26 VAL CB C 13 31.391 0.053 . 1 . . . . . 23 VAL CB . 50110 1 87 . 1 . 1 26 26 VAL CG1 C 13 21.485 0.029 . 2 . . . . . 23 VAL CG1 . 50110 1 88 . 1 . 1 26 26 VAL CG2 C 13 23.705 0.116 . 2 . . . . . 23 VAL CG2 . 50110 1 89 . 1 . 1 26 26 VAL N N 15 121.678 0.286 . 1 . . . . . 23 VAL N . 50110 1 90 . 1 . 1 27 27 VAL C C 13 176.794 0.098 . 1 . . . . . 24 VAL C . 50110 1 91 . 1 . 1 27 27 VAL CA C 13 67.506 0.087 . 1 . . . . . 24 VAL CA . 50110 1 92 . 1 . 1 27 27 VAL CB C 13 31.275 0.044 . 1 . . . . . 24 VAL CB . 50110 1 93 . 1 . 1 27 27 VAL CG1 C 13 23.438 0.063 . 2 . . . . . 24 VAL CG1 . 50110 1 94 . 1 . 1 27 27 VAL CG2 C 13 23.904 0.002 . 2 . . . . . 24 VAL CG2 . 50110 1 95 . 1 . 1 27 27 VAL N N 15 121.326 0.145 . 1 . . . . . 24 VAL N . 50110 1 96 . 1 . 1 28 28 GLN C C 13 179.138 0.153 . 1 . . . . . 25 GLN C . 50110 1 97 . 1 . 1 28 28 GLN CA C 13 58.845 0.032 . 1 . . . . . 25 GLN CA . 50110 1 98 . 1 . 1 28 28 GLN N N 15 119.798 0.270 . 1 . . . . . 25 GLN N . 50110 1 99 . 1 . 1 29 29 GLN C C 13 179.142 0.018 . 1 . . . . . 26 GLN C . 50110 1 100 . 1 . 1 29 29 GLN CA C 13 59.165 0.088 . 1 . . . . . 26 GLN CA . 50110 1 101 . 1 . 1 29 29 GLN CB C 13 30.010 0.000 . 1 . . . . . 26 GLN CB . 50110 1 102 . 1 . 1 29 29 GLN N N 15 119.839 0.126 . 1 . . . . . 26 GLN N . 50110 1 103 . 1 . 1 30 30 ALA C C 13 179.966 0.091 . 1 . . . . . 27 ALA C . 50110 1 104 . 1 . 1 30 30 ALA CA C 13 55.124 0.067 . 1 . . . . . 27 ALA CA . 50110 1 105 . 1 . 1 30 30 ALA CB C 13 18.871 0.053 . 1 . . . . . 27 ALA CB . 50110 1 106 . 1 . 1 30 30 ALA N N 15 122.370 0.095 . 1 . . . . . 27 ALA N . 50110 1 107 . 1 . 1 31 31 ALA C C 13 182.362 0.100 . 1 . . . . . 28 ALA C . 50110 1 108 . 1 . 1 31 31 ALA CA C 13 55.067 0.112 . 1 . . . . . 28 ALA CA . 50110 1 109 . 1 . 1 31 31 ALA CB C 13 17.614 0.060 . 1 . . . . . 28 ALA CB . 50110 1 110 . 1 . 1 31 31 ALA N N 15 122.807 0.142 . 1 . . . . . 28 ALA N . 50110 1 111 . 1 . 1 32 32 ASN C C 13 176.960 0.112 . 1 . . . . . 29 ASN C . 50110 1 112 . 1 . 1 32 32 ASN CA C 13 55.774 0.151 . 1 . . . . . 29 ASN CA . 50110 1 113 . 1 . 1 32 32 ASN CB C 13 38.101 0.066 . 1 . . . . . 29 ASN CB . 50110 1 114 . 1 . 1 32 32 ASN N N 15 119.350 0.160 . 1 . . . . . 29 ASN N . 50110 1 115 . 1 . 1 33 33 LEU C C 13 175.709 0.051 . 1 . . . . . 30 LEU C . 50110 1 116 . 1 . 1 33 33 LEU CA C 13 54.562 0.092 . 1 . . . . . 30 LEU CA . 50110 1 117 . 1 . 1 33 33 LEU CB C 13 42.460 0.113 . 1 . . . . . 30 LEU CB . 50110 1 118 . 1 . 1 33 33 LEU CG C 13 26.838 0.087 . 1 . . . . . 30 LEU CG . 50110 1 119 . 1 . 1 33 33 LEU CD1 C 13 22.725 0.000 . 1 . . . . . 30 LEU CD1 . 50110 1 120 . 1 . 1 33 33 LEU N N 15 118.701 0.208 . 1 . . . . . 30 LEU N . 50110 1 121 . 1 . 1 34 34 ARG C C 13 176.276 0.000 . 1 . . . . . 31 ARG C . 50110 1 122 . 1 . 1 34 34 ARG CA C 13 57.661 0.081 . 1 . . . . . 31 ARG CA . 50110 1 123 . 1 . 1 34 34 ARG CB C 13 26.312 0.091 . 1 . . . . . 31 ARG CB . 50110 1 124 . 1 . 1 34 34 ARG N N 15 114.833 0.307 . 1 . . . . . 31 ARG N . 50110 1 125 . 1 . 1 35 35 GLN C C 13 174.780 0.007 . 1 . . . . . 32 GLN C . 50110 1 126 . 1 . 1 35 35 GLN CA C 13 53.032 0.032 . 1 . . . . . 32 GLN CA . 50110 1 127 . 1 . 1 35 35 GLN CB C 13 28.834 0.000 . 1 . . . . . 32 GLN CB . 50110 1 128 . 1 . 1 35 35 GLN N N 15 119.136 0.000 . 1 . . . . . 32 GLN N . 50110 1 129 . 1 . 1 36 36 LEU C C 13 176.087 0.123 . 1 . . . . . 33 LEU C . 50110 1 130 . 1 . 1 36 36 LEU CA C 13 53.612 0.137 . 1 . . . . . 33 LEU CA . 50110 1 131 . 1 . 1 36 36 LEU CB C 13 47.328 0.125 . 1 . . . . . 33 LEU CB . 50110 1 132 . 1 . 1 36 36 LEU CG C 13 27.396 0.061 . 1 . . . . . 33 LEU CG . 50110 1 133 . 1 . 1 36 36 LEU CD1 C 13 24.597 0.096 . 1 . . . . . 33 LEU CD1 . 50110 1 134 . 1 . 1 36 36 LEU N N 15 119.651 0.189 . 1 . . . . . 33 LEU N . 50110 1 135 . 1 . 1 37 37 LYS C C 13 175.646 0.098 . 1 . . . . . 34 LYS C . 50110 1 136 . 1 . 1 37 37 LYS CA C 13 53.070 0.115 . 1 . . . . . 34 LYS CA . 50110 1 137 . 1 . 1 37 37 LYS CB C 13 34.897 0.245 . 1 . . . . . 34 LYS CB . 50110 1 138 . 1 . 1 37 37 LYS CG C 13 24.294 0.038 . 1 . . . . . 34 LYS CG . 50110 1 139 . 1 . 1 37 37 LYS CD C 13 32.101 0.052 . 1 . . . . . 34 LYS CD . 50110 1 140 . 1 . 1 37 37 LYS N N 15 127.027 0.165 . 1 . . . . . 34 LYS N . 50110 1 141 . 1 . 1 38 38 LYS C C 13 175.557 0.088 . 1 . . . . . 35 LYS C . 50110 1 142 . 1 . 1 38 38 LYS CA C 13 56.235 0.104 . 1 . . . . . 35 LYS CA . 50110 1 143 . 1 . 1 38 38 LYS CB C 13 33.955 0.134 . 1 . . . . . 35 LYS CB . 50110 1 144 . 1 . 1 38 38 LYS CG C 13 24.215 0.000 . 1 . . . . . 35 LYS CG . 50110 1 145 . 1 . 1 38 38 LYS N N 15 121.307 0.153 . 1 . . . . . 35 LYS N . 50110 1 146 . 1 . 1 39 39 GLY C C 13 174.360 0.115 . 1 . . . . . 36 GLY C . 50110 1 147 . 1 . 1 39 39 GLY CA C 13 44.135 0.049 . 1 . . . . . 36 GLY CA . 50110 1 148 . 1 . 1 39 39 GLY N N 15 110.935 0.318 . 1 . . . . . 36 GLY N . 50110 1 149 . 1 . 1 40 40 ALA C C 13 180.056 0.137 . 1 . . . . . 37 ALA C . 50110 1 150 . 1 . 1 40 40 ALA CA C 13 56.307 0.060 . 1 . . . . . 37 ALA CA . 50110 1 151 . 1 . 1 40 40 ALA CB C 13 17.912 0.045 . 1 . . . . . 37 ALA CB . 50110 1 152 . 1 . 1 40 40 ALA N N 15 125.174 0.000 . 1 . . . . . 37 ALA N . 50110 1 153 . 1 . 1 41 41 ASN C C 13 178.861 0.000 . 1 . . . . . 38 ASN C . 50110 1 154 . 1 . 1 41 41 ASN CA C 13 56.724 0.139 . 1 . . . . . 38 ASN CA . 50110 1 155 . 1 . 1 41 41 ASN CB C 13 37.574 0.148 . 1 . . . . . 38 ASN CB . 50110 1 156 . 1 . 1 41 41 ASN CG C 13 176.568 0.000 . 1 . . . . . 38 ASN CG . 50110 1 157 . 1 . 1 41 41 ASN N N 15 120.825 0.035 . 1 . . . . . 38 ASN N . 50110 1 158 . 1 . 1 41 41 ASN ND2 N 15 108.704 0.271 . 1 . . . . . 38 ASN ND2 . 50110 1 159 . 1 . 1 42 42 GLU CA C 13 59.097 0.006 . 1 . . . . . 39 GLU CA . 50110 1 160 . 1 . 1 42 42 GLU CB C 13 28.533 0.000 . 1 . . . . . 39 GLU CB . 50110 1 161 . 1 . 1 42 42 GLU N N 15 120.773 0.358 . 1 . . . . . 39 GLU N . 50110 1 162 . 1 . 1 43 43 ALA C C 13 180.585 0.100 . 1 . . . . . 40 ALA C . 50110 1 163 . 1 . 1 43 43 ALA CA C 13 55.352 0.106 . 1 . . . . . 40 ALA CA . 50110 1 164 . 1 . 1 43 43 ALA CB C 13 17.214 0.079 . 1 . . . . . 40 ALA CB . 50110 1 165 . 1 . 1 43 43 ALA N N 15 122.297 0.158 . 1 . . . . . 40 ALA N . 50110 1 166 . 1 . 1 44 44 THR C C 13 175.801 0.004 . 1 . . . . . 41 THR C . 50110 1 167 . 1 . 1 44 44 THR CA C 13 67.925 0.101 . 1 . . . . . 41 THR CA . 50110 1 168 . 1 . 1 44 44 THR N N 15 117.533 0.214 . 1 . . . . . 41 THR N . 50110 1 169 . 1 . 1 45 45 LYS C C 13 179.437 0.113 . 1 . . . . . 42 LYS C . 50110 1 170 . 1 . 1 45 45 LYS CA C 13 60.292 0.072 . 1 . . . . . 42 LYS CA . 50110 1 171 . 1 . 1 45 45 LYS CB C 13 32.219 0.025 . 1 . . . . . 42 LYS CB . 50110 1 172 . 1 . 1 45 45 LYS CG C 13 25.349 0.036 . 1 . . . . . 42 LYS CG . 50110 1 173 . 1 . 1 45 45 LYS N N 15 121.133 0.202 . 1 . . . . . 42 LYS N . 50110 1 174 . 1 . 1 46 46 THR C C 13 175.857 0.037 . 1 . . . . . 43 THR C . 50110 1 175 . 1 . 1 46 46 THR CA C 13 64.988 0.090 . 1 . . . . . 43 THR CA . 50110 1 176 . 1 . 1 46 46 THR CB C 13 69.202 0.035 . 1 . . . . . 43 THR CB . 50110 1 177 . 1 . 1 46 46 THR CG2 C 13 23.495 0.055 . 1 . . . . . 43 THR CG2 . 50110 1 178 . 1 . 1 46 46 THR N N 15 107.287 0.146 . 1 . . . . . 43 THR N . 50110 1 179 . 1 . 1 47 47 LEU C C 13 180.285 0.000 . 1 . . . . . 44 LEU C . 50110 1 180 . 1 . 1 47 47 LEU CA C 13 57.137 0.086 . 1 . . . . . 44 LEU CA . 50110 1 181 . 1 . 1 47 47 LEU CB C 13 42.735 0.058 . 1 . . . . . 44 LEU CB . 50110 1 182 . 1 . 1 47 47 LEU CG C 13 27.303 0.000 . 1 . . . . . 44 LEU CG . 50110 1 183 . 1 . 1 47 47 LEU N N 15 123.274 0.170 . 1 . . . . . 44 LEU N . 50110 1 184 . 1 . 1 48 48 ASN C C 13 177.732 0.000 . 1 . . . . . 45 ASN C . 50110 1 185 . 1 . 1 48 48 ASN CA C 13 55.966 0.122 . 1 . . . . . 45 ASN CA . 50110 1 186 . 1 . 1 48 48 ASN CB C 13 38.285 0.130 . 1 . . . . . 45 ASN CB . 50110 1 187 . 1 . 1 48 48 ASN N N 15 119.187 0.217 . 1 . . . . . 45 ASN N . 50110 1 188 . 1 . 1 49 49 ARG C C 13 176.437 0.026 . 1 . . . . . 46 ARG C . 50110 1 189 . 1 . 1 49 49 ARG CA C 13 56.228 0.120 . 1 . . . . . 46 ARG CA . 50110 1 190 . 1 . 1 49 49 ARG CB C 13 31.523 0.117 . 1 . . . . . 46 ARG CB . 50110 1 191 . 1 . 1 49 49 ARG CG C 13 27.711 0.006 . 1 . . . . . 46 ARG CG . 50110 1 192 . 1 . 1 49 49 ARG CD C 13 43.581 0.101 . 1 . . . . . 46 ARG CD . 50110 1 193 . 1 . 1 49 49 ARG N N 15 116.375 0.390 . 1 . . . . . 46 ARG N . 50110 1 194 . 1 . 1 50 50 GLY C C 13 175.974 0.130 . 1 . . . . . 47 GLY C . 50110 1 195 . 1 . 1 50 50 GLY CA C 13 46.737 0.135 . 1 . . . . . 47 GLY CA . 50110 1 196 . 1 . 1 50 50 GLY N N 15 108.525 0.194 . 1 . . . . . 47 GLY N . 50110 1 197 . 1 . 1 51 51 ILE C C 13 174.952 0.000 . 1 . . . . . 48 ILE C . 50110 1 198 . 1 . 1 51 51 ILE CA C 13 60.263 0.095 . 1 . . . . . 48 ILE CA . 50110 1 199 . 1 . 1 51 51 ILE CB C 13 38.899 0.070 . 1 . . . . . 48 ILE CB . 50110 1 200 . 1 . 1 51 51 ILE CG1 C 13 26.905 0.062 . 1 . . . . . 48 ILE CG1 . 50110 1 201 . 1 . 1 51 51 ILE CG2 C 13 17.080 0.074 . 1 . . . . . 48 ILE CG2 . 50110 1 202 . 1 . 1 51 51 ILE CD1 C 13 13.901 0.039 . 1 . . . . . 48 ILE CD1 . 50110 1 203 . 1 . 1 51 51 ILE N N 15 109.282 0.240 . 1 . . . . . 48 ILE N . 50110 1 204 . 1 . 1 52 52 SER C C 13 176.305 0.000 . 1 . . . . . 49 SER C . 50110 1 205 . 1 . 1 52 52 SER CA C 13 58.030 0.060 . 1 . . . . . 49 SER CA . 50110 1 206 . 1 . 1 52 52 SER CB C 13 63.942 0.108 . 1 . . . . . 49 SER CB . 50110 1 207 . 1 . 1 52 52 SER N N 15 115.018 0.273 . 1 . . . . . 49 SER N . 50110 1 208 . 1 . 1 53 53 GLU C C 13 177.117 0.095 . 1 . . . . . 50 GLU C . 50110 1 209 . 1 . 1 53 53 GLU CA C 13 55.374 0.030 . 1 . . . . . 50 GLU CA . 50110 1 210 . 1 . 1 53 53 GLU N N 15 124.554 0.197 . 1 . . . . . 50 GLU N . 50110 1 211 . 1 . 1 54 54 PHE C C 13 172.993 0.024 . 1 . . . . . 51 PHE C . 50110 1 212 . 1 . 1 55 55 ILE C C 13 172.946 0.131 . 1 . . . . . 52 ILE C . 50110 1 213 . 1 . 1 55 55 ILE CA C 13 56.897 0.058 . 1 . . . . . 52 ILE CA . 50110 1 214 . 1 . 1 55 55 ILE CB C 13 37.410 0.064 . 1 . . . . . 52 ILE CB . 50110 1 215 . 1 . 1 55 55 ILE CG1 C 13 26.376 0.062 . 1 . . . . . 52 ILE CG1 . 50110 1 216 . 1 . 1 55 55 ILE CG2 C 13 16.929 0.061 . 1 . . . . . 52 ILE CG2 . 50110 1 217 . 1 . 1 55 55 ILE CD1 C 13 10.259 0.022 . 1 . . . . . 52 ILE CD1 . 50110 1 218 . 1 . 1 55 55 ILE N N 15 128.943 0.267 . 1 . . . . . 52 ILE N . 50110 1 219 . 1 . 1 56 56 ILE C C 13 174.882 0.134 . 1 . . . . . 53 ILE C . 50110 1 220 . 1 . 1 56 56 ILE CA C 13 60.548 0.106 . 1 . . . . . 53 ILE CA . 50110 1 221 . 1 . 1 56 56 ILE CB C 13 41.226 0.054 . 1 . . . . . 53 ILE CB . 50110 1 222 . 1 . 1 56 56 ILE CG1 C 13 23.768 0.100 . 1 . . . . . 53 ILE CG1 . 50110 1 223 . 1 . 1 56 56 ILE CG2 C 13 17.781 0.045 . 1 . . . . . 53 ILE CG2 . 50110 1 224 . 1 . 1 56 56 ILE N N 15 125.654 0.135 . 1 . . . . . 53 ILE N . 50110 1 225 . 1 . 1 57 57 MET C C 13 173.643 0.058 . 1 . . . . . 54 MET C . 50110 1 226 . 1 . 1 57 57 MET CA C 13 53.232 0.070 . 1 . . . . . 54 MET CA . 50110 1 227 . 1 . 1 57 57 MET CB C 13 37.688 0.103 . 1 . . . . . 54 MET CB . 50110 1 228 . 1 . 1 57 57 MET N N 15 123.857 0.056 . 1 . . . . . 54 MET N . 50110 1 229 . 1 . 1 58 58 ALA C C 13 176.927 0.100 . 1 . . . . . 55 ALA C . 50110 1 230 . 1 . 1 58 58 ALA CA C 13 50.453 0.091 . 1 . . . . . 55 ALA CA . 50110 1 231 . 1 . 1 58 58 ALA CB C 13 20.788 0.036 . 1 . . . . . 55 ALA CB . 50110 1 232 . 1 . 1 58 58 ALA N N 15 122.950 0.174 . 1 . . . . . 55 ALA N . 50110 1 233 . 1 . 1 59 59 ALA C C 13 176.864 0.081 . 1 . . . . . 56 ALA C . 50110 1 234 . 1 . 1 59 59 ALA CA C 13 53.418 0.073 . 1 . . . . . 56 ALA CA . 50110 1 235 . 1 . 1 59 59 ALA CB C 13 20.753 0.086 . 1 . . . . . 56 ALA CB . 50110 1 236 . 1 . 1 59 59 ALA N N 15 122.370 0.135 . 1 . . . . . 56 ALA N . 50110 1 237 . 1 . 1 60 60 ASP C C 13 175.805 0.074 . 1 . . . . . 57 ASP C . 50110 1 238 . 1 . 1 60 60 ASP CA C 13 52.216 0.086 . 1 . . . . . 57 ASP CA . 50110 1 239 . 1 . 1 60 60 ASP CB C 13 38.401 0.088 . 1 . . . . . 57 ASP CB . 50110 1 240 . 1 . 1 60 60 ASP CG C 13 180.620 0.080 . 1 . . . . . 57 ASP CG . 50110 1 241 . 1 . 1 60 60 ASP N N 15 113.551 0.072 . 1 . . . . . 57 ASP N . 50110 1 242 . 1 . 1 61 61 CYS C C 13 173.237 0.099 . 1 . . . . . 58 CYS C . 50110 1 243 . 1 . 1 61 61 CYS CA C 13 60.151 0.078 . 1 . . . . . 58 CYS CA . 50110 1 244 . 1 . 1 61 61 CYS CB C 13 28.020 0.038 . 1 . . . . . 58 CYS CB . 50110 1 245 . 1 . 1 61 61 CYS N N 15 118.934 0.082 . 1 . . . . . 58 CYS N . 50110 1 246 . 1 . 1 62 62 GLU CA C 13 52.017 0.063 . 1 . . . . . 59 GLU CA . 50110 1 247 . 1 . 1 62 62 GLU CB C 13 32.498 0.092 . 1 . . . . . 59 GLU CB . 50110 1 248 . 1 . 1 62 62 GLU N N 15 130.650 0.143 . 1 . . . . . 59 GLU N . 50110 1 249 . 1 . 1 63 63 PRO C C 13 177.749 0.000 . 1 . . . . . 60 PRO C . 50110 1 250 . 1 . 1 63 63 PRO CA C 13 62.228 0.042 . 1 . . . . . 60 PRO CA . 50110 1 251 . 1 . 1 63 63 PRO CB C 13 33.423 0.132 . 1 . . . . . 60 PRO CB . 50110 1 252 . 1 . 1 63 63 PRO CG C 13 24.938 0.067 . 1 . . . . . 60 PRO CG . 50110 1 253 . 1 . 1 63 63 PRO CD C 13 49.744 0.177 . 1 . . . . . 60 PRO CD . 50110 1 254 . 1 . 1 64 64 ILE C C 13 176.596 0.043 . 1 . . . . . 61 ILE C . 50110 1 255 . 1 . 1 64 64 ILE CA C 13 62.500 0.122 . 1 . . . . . 61 ILE CA . 50110 1 256 . 1 . 1 64 64 ILE CB C 13 38.226 0.044 . 1 . . . . . 61 ILE CB . 50110 1 257 . 1 . 1 64 64 ILE CG1 C 13 30.130 0.062 . 1 . . . . . 61 ILE CG1 . 50110 1 258 . 1 . 1 64 64 ILE CG2 C 13 17.995 0.059 . 1 . . . . . 61 ILE CG2 . 50110 1 259 . 1 . 1 64 64 ILE CD1 C 13 14.652 0.000 . 1 . . . . . 61 ILE CD1 . 50110 1 260 . 1 . 1 64 64 ILE N N 15 125.440 0.042 . 1 . . . . . 61 ILE N . 50110 1 261 . 1 . 1 65 65 GLU C C 13 178.238 0.000 . 1 . . . . . 62 GLU C . 50110 1 262 . 1 . 1 65 65 GLU CA C 13 61.235 0.076 . 1 . . . . . 62 GLU CA . 50110 1 263 . 1 . 1 65 65 GLU CB C 13 28.753 0.008 . 1 . . . . . 62 GLU CB . 50110 1 264 . 1 . 1 65 65 GLU N N 15 120.200 0.197 . 1 . . . . . 62 GLU N . 50110 1 265 . 1 . 1 66 66 ILE C C 13 175.832 0.083 . 1 . . . . . 63 ILE C . 50110 1 266 . 1 . 1 66 66 ILE CA C 13 64.018 0.117 . 1 . . . . . 63 ILE CA . 50110 1 267 . 1 . 1 66 66 ILE CB C 13 38.013 0.030 . 1 . . . . . 63 ILE CB . 50110 1 268 . 1 . 1 66 66 ILE CG2 C 13 17.657 0.019 . 1 . . . . . 63 ILE CG2 . 50110 1 269 . 1 . 1 66 66 ILE N N 15 114.553 0.191 . 1 . . . . . 63 ILE N . 50110 1 270 . 1 . 1 67 67 LEU C C 13 179.988 0.108 . 1 . . . . . 64 LEU C . 50110 1 271 . 1 . 1 67 67 LEU CA C 13 54.313 0.108 . 1 . . . . . 64 LEU CA . 50110 1 272 . 1 . 1 67 67 LEU CB C 13 43.660 0.126 . 1 . . . . . 64 LEU CB . 50110 1 273 . 1 . 1 67 67 LEU CG C 13 26.744 0.069 . 1 . . . . . 64 LEU CG . 50110 1 274 . 1 . 1 67 67 LEU N N 15 115.291 0.063 . 1 . . . . . 64 LEU N . 50110 1 275 . 1 . 1 68 68 LEU C C 13 177.246 0.000 . 1 . . . . . 65 LEU C . 50110 1 276 . 1 . 1 68 68 LEU CA C 13 58.302 0.149 . 1 . . . . . 65 LEU CA . 50110 1 277 . 1 . 1 68 68 LEU CB C 13 39.830 0.075 . 1 . . . . . 65 LEU CB . 50110 1 278 . 1 . 1 68 68 LEU CG C 13 26.259 0.000 . 1 . . . . . 65 LEU CG . 50110 1 279 . 1 . 1 68 68 LEU N N 15 114.715 0.018 . 1 . . . . . 65 LEU N . 50110 1 280 . 1 . 1 69 69 HIS C C 13 175.667 0.000 . 1 . . . . . 66 HIS C . 50110 1 281 . 1 . 1 69 69 HIS CA C 13 57.915 0.100 . 1 . . . . . 66 HIS CA . 50110 1 282 . 1 . 1 69 69 HIS CB C 13 29.574 0.080 . 1 . . . . . 66 HIS CB . 50110 1 283 . 1 . 1 69 69 HIS CE1 C 13 137.622 0.109 . 1 . . . . . 66 HIS CE1 . 50110 1 284 . 1 . 1 69 69 HIS N N 15 115.584 0.016 . 1 . . . . . 66 HIS N . 50110 1 285 . 1 . 1 70 70 LEU C C 13 175.978 0.105 . 1 . . . . . 67 LEU C . 50110 1 286 . 1 . 1 70 70 LEU CA C 13 59.023 0.089 . 1 . . . . . 67 LEU CA . 50110 1 287 . 1 . 1 70 70 LEU CB C 13 38.611 0.100 . 1 . . . . . 67 LEU CB . 50110 1 288 . 1 . 1 70 70 LEU CG C 13 27.141 0.100 . 1 . . . . . 67 LEU CG . 50110 1 289 . 1 . 1 70 70 LEU N N 15 122.950 0.158 . 1 . . . . . 67 LEU N . 50110 1 290 . 1 . 1 71 71 PRO C C 13 176.758 0.000 . 1 . . . . . 68 PRO C . 50110 1 291 . 1 . 1 71 71 PRO CA C 13 66.013 0.037 . 1 . . . . . 68 PRO CA . 50110 1 292 . 1 . 1 71 71 PRO CB C 13 32.102 0.062 . 1 . . . . . 68 PRO CB . 50110 1 293 . 1 . 1 71 71 PRO CG C 13 28.791 0.056 . 1 . . . . . 68 PRO CG . 50110 1 294 . 1 . 1 71 71 PRO CD C 13 49.278 0.087 . 1 . . . . . 68 PRO CD . 50110 1 295 . 1 . 1 71 71 PRO N N 15 134.005 0.052 . 1 . . . . . 68 PRO N . 50110 1 296 . 1 . 1 72 72 LEU CA C 13 57.215 0.150 . 1 . . . . . 69 LEU CA . 50110 1 297 . 1 . 1 72 72 LEU CB C 13 40.547 0.000 . 1 . . . . . 69 LEU CB . 50110 1 298 . 1 . 1 72 72 LEU N N 15 111.401 0.223 . 1 . . . . . 69 LEU N . 50110 1 299 . 1 . 1 73 73 LEU C C 13 179.258 0.017 . 1 . . . . . 70 LEU C . 50110 1 300 . 1 . 1 73 73 LEU CA C 13 57.240 0.000 . 1 . . . . . 70 LEU CA . 50110 1 301 . 1 . 1 73 73 LEU CB C 13 42.426 0.015 . 1 . . . . . 70 LEU CB . 50110 1 302 . 1 . 1 73 73 LEU N N 15 121.229 0.000 . 1 . . . . . 70 LEU N . 50110 1 303 . 1 . 1 74 74 CYS C C 13 178.150 0.050 . 1 . . . . . 71 CYS C . 50110 1 304 . 1 . 1 74 74 CYS CA C 13 65.349 0.103 . 1 . . . . . 71 CYS CA . 50110 1 305 . 1 . 1 74 74 CYS CB C 13 26.636 0.029 . 1 . . . . . 71 CYS CB . 50110 1 306 . 1 . 1 74 74 CYS N N 15 118.012 0.000 . 1 . . . . . 71 CYS N . 50110 1 307 . 1 . 1 75 75 GLU C C 13 178.608 0.015 . 1 . . . . . 72 GLU C . 50110 1 308 . 1 . 1 75 75 GLU CA C 13 59.391 0.032 . 1 . . . . . 72 GLU CA . 50110 1 309 . 1 . 1 75 75 GLU N N 15 119.327 0.070 . 1 . . . . . 72 GLU N . 50110 1 310 . 1 . 1 76 76 ASP C C 13 177.957 0.113 . 1 . . . . . 73 ASP C . 50110 1 311 . 1 . 1 76 76 ASP CA C 13 57.301 0.103 . 1 . . . . . 73 ASP CA . 50110 1 312 . 1 . 1 76 76 ASP CB C 13 41.202 0.119 . 1 . . . . . 73 ASP CB . 50110 1 313 . 1 . 1 76 76 ASP N N 15 118.056 0.178 . 1 . . . . . 73 ASP N . 50110 1 314 . 1 . 1 77 77 LYS C C 13 175.533 0.000 . 1 . . . . . 74 LYS C . 50110 1 315 . 1 . 1 77 77 LYS CA C 13 54.244 0.086 . 1 . . . . . 74 LYS CA . 50110 1 316 . 1 . 1 77 77 LYS CB C 13 32.072 0.050 . 1 . . . . . 74 LYS CB . 50110 1 317 . 1 . 1 77 77 LYS N N 15 114.883 0.098 . 1 . . . . . 74 LYS N . 50110 1 318 . 1 . 1 78 78 ASN C C 13 173.875 0.081 . 1 . . . . . 75 ASN C . 50110 1 319 . 1 . 1 78 78 ASN CA C 13 54.569 0.072 . 1 . . . . . 75 ASN CA . 50110 1 320 . 1 . 1 78 78 ASN CB C 13 37.323 0.156 . 1 . . . . . 75 ASN CB . 50110 1 321 . 1 . 1 78 78 ASN N N 15 116.386 0.124 . 1 . . . . . 75 ASN N . 50110 1 322 . 1 . 1 79 79 VAL C C 13 172.291 0.068 . 1 . . . . . 76 VAL C . 50110 1 323 . 1 . 1 79 79 VAL CA C 13 59.013 0.090 . 1 . . . . . 76 VAL CA . 50110 1 324 . 1 . 1 79 79 VAL CB C 13 35.610 0.122 . 1 . . . . . 76 VAL CB . 50110 1 325 . 1 . 1 79 79 VAL CG1 C 13 22.403 0.076 . 2 . . . . . 76 VAL CG1 . 50110 1 326 . 1 . 1 79 79 VAL CG2 C 13 19.788 0.047 . 2 . . . . . 76 VAL CG2 . 50110 1 327 . 1 . 1 79 79 VAL N N 15 123.296 0.138 . 1 . . . . . 76 VAL N . 50110 1 328 . 1 . 1 80 80 PRO C C 13 173.751 0.073 . 1 . . . . . 77 PRO C . 50110 1 329 . 1 . 1 80 80 PRO CA C 13 62.393 0.169 . 1 . . . . . 77 PRO CA . 50110 1 330 . 1 . 1 80 80 PRO CB C 13 32.281 0.088 . 1 . . . . . 77 PRO CB . 50110 1 331 . 1 . 1 80 80 PRO CG C 13 27.646 0.062 . 1 . . . . . 77 PRO CG . 50110 1 332 . 1 . 1 80 80 PRO CD C 13 50.123 0.068 . 1 . . . . . 77 PRO CD . 50110 1 333 . 1 . 1 80 80 PRO N N 15 139.373 0.317 . 1 . . . . . 77 PRO N . 50110 1 334 . 1 . 1 81 81 TYR C C 13 171.941 0.001 . 1 . . . . . 78 TYR C . 50110 1 335 . 1 . 1 81 81 TYR CA C 13 54.346 0.000 . 1 . . . . . 78 TYR CA . 50110 1 336 . 1 . 1 81 81 TYR N N 15 114.016 0.008 . 1 . . . . . 78 TYR N . 50110 1 337 . 1 . 1 82 82 VAL C C 13 175.600 0.104 . 1 . . . . . 79 VAL C . 50110 1 338 . 1 . 1 82 82 VAL CA C 13 60.372 0.158 . 1 . . . . . 79 VAL CA . 50110 1 339 . 1 . 1 82 82 VAL CB C 13 35.024 0.044 . 1 . . . . . 79 VAL CB . 50110 1 340 . 1 . 1 82 82 VAL CG1 C 13 21.882 0.030 . 2 . . . . . 79 VAL CG1 . 50110 1 341 . 1 . 1 82 82 VAL CG2 C 13 20.090 0.069 . 2 . . . . . 79 VAL CG2 . 50110 1 342 . 1 . 1 82 82 VAL N N 15 111.596 0.168 . 1 . . . . . 79 VAL N . 50110 1 343 . 1 . 1 83 83 PHE CA C 13 56.035 0.104 . 1 . . . . . 80 PHE CA . 50110 1 344 . 1 . 1 83 83 PHE CB C 13 40.452 0.094 . 1 . . . . . 80 PHE CB . 50110 1 345 . 1 . 1 83 83 PHE N N 15 121.246 0.000 . 1 . . . . . 80 PHE N . 50110 1 346 . 1 . 1 84 84 VAL C C 13 174.882 0.061 . 1 . . . . . 81 VAL C . 50110 1 347 . 1 . 1 84 84 VAL CA C 13 57.465 0.062 . 1 . . . . . 81 VAL CA . 50110 1 348 . 1 . 1 84 84 VAL CB C 13 30.730 0.081 . 1 . . . . . 81 VAL CB . 50110 1 349 . 1 . 1 84 84 VAL CG1 C 13 18.749 0.047 . 2 . . . . . 81 VAL CG1 . 50110 1 350 . 1 . 1 84 84 VAL CG2 C 13 22.367 0.060 . 2 . . . . . 81 VAL CG2 . 50110 1 351 . 1 . 1 84 84 VAL N N 15 114.128 0.286 . 1 . . . . . 81 VAL N . 50110 1 352 . 1 . 1 85 85 PRO C C 13 176.924 0.056 . 1 . . . . . 82 PRO C . 50110 1 353 . 1 . 1 85 85 PRO CA C 13 66.278 0.070 . 1 . . . . . 82 PRO CA . 50110 1 354 . 1 . 1 85 85 PRO CB C 13 33.344 0.041 . 1 . . . . . 82 PRO CB . 50110 1 355 . 1 . 1 85 85 PRO CG C 13 27.829 0.075 . 1 . . . . . 82 PRO CG . 50110 1 356 . 1 . 1 85 85 PRO CD C 13 51.714 0.043 . 1 . . . . . 82 PRO CD . 50110 1 357 . 1 . 1 85 85 PRO N N 15 133.530 0.121 . 1 . . . . . 82 PRO N . 50110 1 358 . 1 . 1 86 86 SER C C 13 176.336 0.085 . 1 . . . . . 83 SER C . 50110 1 359 . 1 . 1 86 86 SER CA C 13 54.595 0.100 . 1 . . . . . 83 SER CA . 50110 1 360 . 1 . 1 86 86 SER CB C 13 64.643 0.108 . 1 . . . . . 83 SER CB . 50110 1 361 . 1 . 1 86 86 SER N N 15 106.960 0.141 . 1 . . . . . 83 SER N . 50110 1 362 . 1 . 1 87 87 ARG C C 13 178.837 0.093 . 1 . . . . . 84 ARG C . 50110 1 363 . 1 . 1 87 87 ARG CA C 13 57.505 0.111 . 1 . . . . . 84 ARG CA . 50110 1 364 . 1 . 1 87 87 ARG CB C 13 28.752 0.096 . 1 . . . . . 84 ARG CB . 50110 1 365 . 1 . 1 87 87 ARG CG C 13 27.541 0.022 . 1 . . . . . 84 ARG CG . 50110 1 366 . 1 . 1 87 87 ARG CD C 13 43.214 0.087 . 1 . . . . . 84 ARG CD . 50110 1 367 . 1 . 1 87 87 ARG CZ C 13 159.624 0.000 . 1 . . . . . 84 ARG CZ . 50110 1 368 . 1 . 1 87 87 ARG N N 15 133.861 0.157 . 1 . . . . . 84 ARG N . 50110 1 369 . 1 . 1 87 87 ARG NE N 15 84.807 0.000 . 1 . . . . . 84 ARG NE . 50110 1 370 . 1 . 1 88 88 VAL C C 13 178.445 0.157 . 1 . . . . . 85 VAL C . 50110 1 371 . 1 . 1 88 88 VAL CA C 13 66.990 0.090 . 1 . . . . . 85 VAL CA . 50110 1 372 . 1 . 1 88 88 VAL CB C 13 31.796 0.067 . 1 . . . . . 85 VAL CB . 50110 1 373 . 1 . 1 88 88 VAL CG1 C 13 20.368 0.020 . 2 . . . . . 85 VAL CG1 . 50110 1 374 . 1 . 1 88 88 VAL CG2 C 13 23.463 0.093 . 2 . . . . . 85 VAL CG2 . 50110 1 375 . 1 . 1 88 88 VAL N N 15 126.680 0.125 . 1 . . . . . 85 VAL N . 50110 1 376 . 1 . 1 89 89 ALA C C 13 181.268 0.126 . 1 . . . . . 86 ALA C . 50110 1 377 . 1 . 1 89 89 ALA CA C 13 54.525 0.116 . 1 . . . . . 86 ALA CA . 50110 1 378 . 1 . 1 89 89 ALA CB C 13 18.620 0.154 . 1 . . . . . 86 ALA CB . 50110 1 379 . 1 . 1 89 89 ALA N N 15 124.294 0.183 . 1 . . . . . 86 ALA N . 50110 1 380 . 1 . 1 90 90 LEU C C 13 178.956 0.054 . 1 . . . . . 87 LEU C . 50110 1 381 . 1 . 1 90 90 LEU CA C 13 57.738 0.064 . 1 . . . . . 87 LEU CA . 50110 1 382 . 1 . 1 90 90 LEU CB C 13 40.634 0.073 . 1 . . . . . 87 LEU CB . 50110 1 383 . 1 . 1 90 90 LEU CG C 13 27.367 0.117 . 1 . . . . . 87 LEU CG . 50110 1 384 . 1 . 1 90 90 LEU CD1 C 13 24.484 0.014 . 2 . . . . . 87 LEU CD1 . 50110 1 385 . 1 . 1 90 90 LEU CD2 C 13 23.020 0.039 . 2 . . . . . 87 LEU CD2 . 50110 1 386 . 1 . 1 90 90 LEU N N 15 119.711 0.000 . 1 . . . . . 87 LEU N . 50110 1 387 . 1 . 1 91 91 GLY C C 13 174.929 0.114 . 1 . . . . . 88 GLY C . 50110 1 388 . 1 . 1 91 91 GLY CA C 13 48.406 0.098 . 1 . . . . . 88 GLY CA . 50110 1 389 . 1 . 1 91 91 GLY N N 15 108.021 0.150 . 1 . . . . . 88 GLY N . 50110 1 390 . 1 . 1 92 92 ARG C C 13 181.348 0.055 . 1 . . . . . 89 ARG C . 50110 1 391 . 1 . 1 92 92 ARG CA C 13 59.082 0.096 . 1 . . . . . 89 ARG CA . 50110 1 392 . 1 . 1 92 92 ARG N N 15 120.142 0.135 . 1 . . . . . 89 ARG N . 50110 1 393 . 1 . 1 93 93 ALA C C 13 177.805 0.099 . 1 . . . . . 90 ALA C . 50110 1 394 . 1 . 1 93 93 ALA CA C 13 55.101 0.031 . 1 . . . . . 90 ALA CA . 50110 1 395 . 1 . 1 93 93 ALA CB C 13 19.447 0.040 . 1 . . . . . 90 ALA CB . 50110 1 396 . 1 . 1 93 93 ALA N N 15 123.938 0.087 . 1 . . . . . 90 ALA N . 50110 1 397 . 1 . 1 94 94 CYS C C 13 174.134 0.068 . 1 . . . . . 91 CYS C . 50110 1 398 . 1 . 1 94 94 CYS CA C 13 60.386 0.084 . 1 . . . . . 91 CYS CA . 50110 1 399 . 1 . 1 94 94 CYS CB C 13 27.720 0.118 . 1 . . . . . 91 CYS CB . 50110 1 400 . 1 . 1 94 94 CYS N N 15 111.566 0.129 . 1 . . . . . 91 CYS N . 50110 1 401 . 1 . 1 95 95 GLY C C 13 174.828 0.173 . 1 . . . . . 92 GLY C . 50110 1 402 . 1 . 1 95 95 GLY CA C 13 45.693 0.051 . 1 . . . . . 92 GLY CA . 50110 1 403 . 1 . 1 95 95 GLY N N 15 107.131 0.082 . 1 . . . . . 92 GLY N . 50110 1 404 . 1 . 1 96 96 VAL CA C 13 58.686 0.124 . 1 . . . . . 93 VAL CA . 50110 1 405 . 1 . 1 96 96 VAL CB C 13 34.840 0.064 . 1 . . . . . 93 VAL CB . 50110 1 406 . 1 . 1 96 96 VAL CG1 C 13 22.659 0.040 . 2 . . . . . 93 VAL CG1 . 50110 1 407 . 1 . 1 96 96 VAL CG2 C 13 19.360 0.058 . 2 . . . . . 93 VAL CG2 . 50110 1 408 . 1 . 1 96 96 VAL N N 15 111.442 0.215 . 1 . . . . . 93 VAL N . 50110 1 409 . 1 . 1 97 97 SER CA C 13 57.294 0.112 . 1 . . . . . 94 SER CA . 50110 1 410 . 1 . 1 97 97 SER CB C 13 62.872 0.095 . 1 . . . . . 94 SER CB . 50110 1 411 . 1 . 1 98 98 ARG C C 13 172.315 0.000 . 1 . . . . . 95 ARG C . 50110 1 412 . 1 . 1 98 98 ARG CA C 13 52.963 0.105 . 1 . . . . . 95 ARG CA . 50110 1 413 . 1 . 1 98 98 ARG CB C 13 30.078 0.127 . 1 . . . . . 95 ARG CB . 50110 1 414 . 1 . 1 98 98 ARG CG C 13 27.178 0.000 . 1 . . . . . 95 ARG CG . 50110 1 415 . 1 . 1 98 98 ARG CD C 13 43.178 0.015 . 1 . . . . . 95 ARG CD . 50110 1 416 . 1 . 1 99 99 PRO C C 13 175.916 0.000 . 1 . . . . . 96 PRO C . 50110 1 417 . 1 . 1 99 99 PRO CA C 13 62.339 0.099 . 1 . . . . . 96 PRO CA . 50110 1 418 . 1 . 1 99 99 PRO CG C 13 27.440 0.023 . 1 . . . . . 96 PRO CG . 50110 1 419 . 1 . 1 99 99 PRO CD C 13 49.612 0.090 . 1 . . . . . 96 PRO CD . 50110 1 420 . 1 . 1 99 99 PRO N N 15 131.330 0.045 . 1 . . . . . 96 PRO N . 50110 1 421 . 1 . 1 100 100 VAL C C 13 174.655 0.113 . 1 . . . . . 97 VAL C . 50110 1 422 . 1 . 1 100 100 VAL CA C 13 60.936 0.078 . 1 . . . . . 97 VAL CA . 50110 1 423 . 1 . 1 100 100 VAL CB C 13 36.593 0.079 . 1 . . . . . 97 VAL CB . 50110 1 424 . 1 . 1 100 100 VAL CG1 C 13 23.471 0.030 . 2 . . . . . 97 VAL CG1 . 50110 1 425 . 1 . 1 100 100 VAL CG2 C 13 22.252 0.064 . 2 . . . . . 97 VAL CG2 . 50110 1 426 . 1 . 1 100 100 VAL N N 15 122.435 0.073 . 1 . . . . . 97 VAL N . 50110 1 427 . 1 . 1 101 101 ILE C C 13 174.883 0.173 . 1 . . . . . 98 ILE C . 50110 1 428 . 1 . 1 101 101 ILE CA C 13 61.203 0.082 . 1 . . . . . 98 ILE CA . 50110 1 429 . 1 . 1 101 101 ILE CB C 13 38.768 0.045 . 1 . . . . . 98 ILE CB . 50110 1 430 . 1 . 1 101 101 ILE CG1 C 13 25.885 0.071 . 1 . . . . . 98 ILE CG1 . 50110 1 431 . 1 . 1 101 101 ILE CG2 C 13 19.031 0.079 . 1 . . . . . 98 ILE CG2 . 50110 1 432 . 1 . 1 101 101 ILE CD1 C 13 15.158 0.102 . 1 . . . . . 98 ILE CD1 . 50110 1 433 . 1 . 1 101 101 ILE N N 15 114.930 0.128 . 1 . . . . . 98 ILE N . 50110 1 434 . 1 . 1 102 102 ALA CA C 13 50.758 0.060 . 1 . . . . . 99 ALA CA . 50110 1 435 . 1 . 1 102 102 ALA CB C 13 20.991 0.002 . 1 . . . . . 99 ALA CB . 50110 1 436 . 1 . 1 102 102 ALA N N 15 119.845 0.176 . 1 . . . . . 99 ALA N . 50110 1 437 . 1 . 1 103 103 ALA C C 13 174.387 0.112 . 1 . . . . . 100 ALA C . 50110 1 438 . 1 . 1 103 103 ALA CA C 13 50.363 0.094 . 1 . . . . . 100 ALA CA . 50110 1 439 . 1 . 1 103 103 ALA CB C 13 22.684 0.043 . 1 . . . . . 100 ALA CB . 50110 1 440 . 1 . 1 103 103 ALA N N 15 122.726 0.002 . 1 . . . . . 100 ALA N . 50110 1 441 . 1 . 1 104 104 SER C C 13 174.634 0.125 . 1 . . . . . 101 SER C . 50110 1 442 . 1 . 1 104 104 SER CA C 13 53.635 0.078 . 1 . . . . . 101 SER CA . 50110 1 443 . 1 . 1 104 104 SER CB C 13 65.693 0.049 . 1 . . . . . 101 SER CB . 50110 1 444 . 1 . 1 104 104 SER N N 15 113.048 0.036 . 1 . . . . . 101 SER N . 50110 1 445 . 1 . 1 105 105 ILE C C 13 176.288 0.012 . 1 . . . . . 102 ILE C . 50110 1 446 . 1 . 1 105 105 ILE CA C 13 60.909 0.133 . 1 . . . . . 102 ILE CA . 50110 1 447 . 1 . 1 105 105 ILE CB C 13 38.491 0.047 . 1 . . . . . 102 ILE CB . 50110 1 448 . 1 . 1 105 105 ILE CG1 C 13 27.112 0.000 . 1 . . . . . 102 ILE CG1 . 50110 1 449 . 1 . 1 105 105 ILE N N 15 129.131 0.247 . 1 . . . . . 102 ILE N . 50110 1 450 . 1 . 1 106 106 THR C C 13 174.808 0.192 . 1 . . . . . 103 THR C . 50110 1 451 . 1 . 1 106 106 THR CA C 13 59.999 0.102 . 1 . . . . . 103 THR CA . 50110 1 452 . 1 . 1 106 106 THR CB C 13 70.449 0.122 . 1 . . . . . 103 THR CB . 50110 1 453 . 1 . 1 106 106 THR CG2 C 13 22.120 0.119 . 1 . . . . . 103 THR CG2 . 50110 1 454 . 1 . 1 106 106 THR N N 15 118.819 0.000 . 1 . . . . . 103 THR N . 50110 1 455 . 1 . 1 107 107 THR C C 13 176.341 0.044 . 1 . . . . . 104 THR C . 50110 1 456 . 1 . 1 107 107 THR CA C 13 62.423 0.100 . 1 . . . . . 104 THR CA . 50110 1 457 . 1 . 1 107 107 THR CB C 13 70.163 0.084 . 1 . . . . . 104 THR CB . 50110 1 458 . 1 . 1 107 107 THR CG2 C 13 21.516 0.100 . 1 . . . . . 104 THR CG2 . 50110 1 459 . 1 . 1 112 112 ALA CA C 13 53.474 0.011 . 1 . . . . . 109 ALA CA . 50110 1 460 . 1 . 1 112 112 ALA CB C 13 18.603 0.067 . 1 . . . . . 109 ALA CB . 50110 1 461 . 1 . 1 113 113 ILE C C 13 175.700 0.029 . 1 . . . . . 110 ILE C . 50110 1 462 . 1 . 1 113 113 ILE CA C 13 60.845 0.108 . 1 . . . . . 110 ILE CA . 50110 1 463 . 1 . 1 113 113 ILE CB C 13 38.257 0.004 . 1 . . . . . 110 ILE CB . 50110 1 464 . 1 . 1 113 113 ILE CG1 C 13 27.581 0.078 . 1 . . . . . 110 ILE CG1 . 50110 1 465 . 1 . 1 113 113 ILE CG2 C 13 16.879 0.156 . 1 . . . . . 110 ILE CG2 . 50110 1 466 . 1 . 1 113 113 ILE CD1 C 13 14.576 0.050 . 1 . . . . . 110 ILE CD1 . 50110 1 467 . 1 . 1 114 114 LYS C C 13 177.521 0.000 . 1 . . . . . 111 LYS C . 50110 1 468 . 1 . 1 115 115 THR C C 13 176.866 0.030 . 1 . . . . . 112 THR C . 50110 1 469 . 1 . 1 115 115 THR CA C 13 66.195 0.049 . 1 . . . . . 112 THR CA . 50110 1 470 . 1 . 1 115 115 THR CB C 13 68.630 0.085 . 1 . . . . . 112 THR CB . 50110 1 471 . 1 . 1 115 115 THR CG2 C 13 22.222 0.156 . 1 . . . . . 112 THR CG2 . 50110 1 472 . 1 . 1 115 115 THR N N 15 111.400 0.000 . 1 . . . . . 112 THR N . 50110 1 473 . 1 . 1 117 117 ILE C C 13 177.364 0.000 . 1 . . . . . 114 ILE C . 50110 1 474 . 1 . 1 117 117 ILE CA C 13 66.100 0.169 . 1 . . . . . 114 ILE CA . 50110 1 475 . 1 . 1 117 117 ILE CB C 13 37.519 0.063 . 1 . . . . . 114 ILE CB . 50110 1 476 . 1 . 1 117 117 ILE N N 15 120.812 0.000 . 1 . . . . . 114 ILE N . 50110 1 477 . 1 . 1 118 118 TYR C C 13 178.199 0.000 . 1 . . . . . 115 TYR C . 50110 1 478 . 1 . 1 118 118 TYR CA C 13 59.686 0.112 . 1 . . . . . 115 TYR CA . 50110 1 479 . 1 . 1 118 118 TYR N N 15 118.840 0.102 . 1 . . . . . 115 TYR N . 50110 1 480 . 1 . 1 119 119 ALA C C 13 181.705 0.000 . 1 . . . . . 116 ALA C . 50110 1 481 . 1 . 1 119 119 ALA CA C 13 54.385 0.074 . 1 . . . . . 116 ALA CA . 50110 1 482 . 1 . 1 119 119 ALA CB C 13 18.433 0.106 . 1 . . . . . 116 ALA CB . 50110 1 483 . 1 . 1 119 119 ALA N N 15 118.686 0.079 . 1 . . . . . 116 ALA N . 50110 1 484 . 1 . 1 120 120 VAL C C 13 178.033 0.000 . 1 . . . . . 117 VAL C . 50110 1 485 . 1 . 1 121 121 LYS CA C 13 61.112 0.083 . 1 . . . . . 118 LYS CA . 50110 1 486 . 1 . 1 121 121 LYS CB C 13 32.192 0.065 . 1 . . . . . 118 LYS CB . 50110 1 487 . 1 . 1 121 121 LYS CG C 13 25.160 0.000 . 1 . . . . . 118 LYS CG . 50110 1 488 . 1 . 1 121 121 LYS N N 15 120.754 0.039 . 1 . . . . . 118 LYS N . 50110 1 489 . 1 . 1 123 123 LYS C C 13 179.822 0.120 . 1 . . . . . 120 LYS C . 50110 1 490 . 1 . 1 123 123 LYS CA C 13 59.003 0.141 . 1 . . . . . 120 LYS CA . 50110 1 491 . 1 . 1 123 123 LYS CB C 13 32.915 0.068 . 1 . . . . . 120 LYS CB . 50110 1 492 . 1 . 1 123 123 LYS CG C 13 25.586 0.098 . 1 . . . . . 120 LYS CG . 50110 1 493 . 1 . 1 123 123 LYS N N 15 119.595 0.139 . 1 . . . . . 120 LYS N . 50110 1 494 . 1 . 1 124 124 ILE CA C 13 65.240 0.068 . 1 . . . . . 121 ILE CA . 50110 1 495 . 1 . 1 124 124 ILE CB C 13 37.291 0.123 . 1 . . . . . 121 ILE CB . 50110 1 496 . 1 . 1 124 124 ILE CG1 C 13 30.361 0.079 . 1 . . . . . 121 ILE CG1 . 50110 1 497 . 1 . 1 124 124 ILE CD1 C 13 15.576 0.069 . 1 . . . . . 121 ILE CD1 . 50110 1 498 . 1 . 1 124 124 ILE N N 15 122.606 0.045 . 1 . . . . . 121 ILE N . 50110 1 499 . 1 . 1 125 125 GLU C C 13 178.756 0.078 . 1 . . . . . 122 GLU C . 50110 1 500 . 1 . 1 126 126 THR C C 13 175.883 0.074 . 1 . . . . . 123 THR C . 50110 1 501 . 1 . 1 126 126 THR CA C 13 65.269 0.105 . 1 . . . . . 123 THR CA . 50110 1 502 . 1 . 1 126 126 THR CB C 13 69.084 0.000 . 1 . . . . . 123 THR CB . 50110 1 503 . 1 . 1 126 126 THR N N 15 110.338 0.284 . 1 . . . . . 123 THR N . 50110 1 504 . 1 . 1 127 127 LEU C C 13 177.979 0.019 . 1 . . . . . 124 LEU C . 50110 1 505 . 1 . 1 127 127 LEU CA C 13 55.780 0.095 . 1 . . . . . 124 LEU CA . 50110 1 506 . 1 . 1 127 127 LEU CB C 13 41.303 0.151 . 1 . . . . . 124 LEU CB . 50110 1 507 . 1 . 1 127 127 LEU N N 15 119.765 0.208 . 1 . . . . . 124 LEU N . 50110 1 508 . 1 . 1 128 128 LEU C C 13 176.766 0.230 . 1 . . . . . 125 LEU C . 50110 1 509 . 1 . 1 128 128 LEU CA C 13 54.521 0.114 . 1 . . . . . 125 LEU CA . 50110 1 510 . 1 . 1 128 128 LEU CB C 13 42.822 0.000 . 1 . . . . . 125 LEU CB . 50110 1 511 . 1 . 1 128 128 LEU N N 15 118.676 0.158 . 1 . . . . . 125 LEU N . 50110 1 512 . 1 . 1 129 129 ILE CA C 13 63.059 0.183 . 1 . . . . . 126 ILE CA . 50110 1 513 . 1 . 1 129 129 ILE CB C 13 39.353 0.036 . 1 . . . . . 126 ILE CB . 50110 1 514 . 1 . 1 129 129 ILE CG1 C 13 26.520 0.000 . 1 . . . . . 126 ILE CG1 . 50110 1 515 . 1 . 1 129 129 ILE CG2 C 13 18.149 0.154 . 1 . . . . . 126 ILE CG2 . 50110 1 516 . 1 . 1 129 129 ILE N N 15 121.296 0.087 . 1 . . . . . 126 ILE N . 50110 1 stop_ save_