data_19910 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19910 _Entry.Title ; Solution structure of the P22S mutant of N-terminal CS domain of human Shq1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-16 _Entry.Accession_date 2014-04-16 _Entry.Last_release_date 2015-01-12 _Entry.Original_release_date 2015-01-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mahavir Singh . . . 19910 2 Zhonghua Wang . . . 19910 3 Duilio Cascio . . . 19910 4 Juli Feigon . . . 19910 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 1 'not applicable' 'not applicable' . 19910 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CS domain' . 19910 Shq1 . 19910 NMR . 19910 Dyskerin . 19910 Cbf5 . 19910 H/ACA . 19910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 549 19910 '13C chemical shifts' 366 19910 '15N chemical shifts' 90 19910 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-01-12 2014-04-15 original author . 19910 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4PBD 'Crystal structure of the N-terminal CS domain of human Shq1' 19910 PDB 4PCK 'Crystal structure of the P22S mutant of N-terminal CS domain of human Shq1' 19910 PDB 2mnw 'BMRB Entry Tracking System' 19910 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19910 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25553844 _Citation.Full_citation . _Citation.Title 'Structure and interactions of the CS domain of human H/ACA RNP assembly protein Shq1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mahavir Singh . . . 19910 1 2 Zhonghua Wang . . . 19910 1 3 Duilio Cascio . . . 19910 1 4 Juli Feigon . . . 19910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19910 _Assembly.ID 1 _Assembly.Name 'P22S mutant of N-terminal CS domain of human Shq1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'P22S mutant of N-terminal CS domain of human Shq1' 1 $P22S_mutant_of_human_Shq1_CS_domain A . yes native no no . . . 19910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P22S_mutant_of_human_Shq1_CS_domain _Entity.Sf_category entity _Entity.Sf_framecode P22S_mutant_of_human_Shq1_CS_domain _Entity.Entry_ID 19910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P22S_mutant_of_human_Shq1_CS_domain _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 ; GSTAIGMKETAAAKFERQHM DSPDLGTGGGSGDDDDKMLT PAFDLSQDPDFLTIAIRVSY ARVSEFDVYFEGSDFKFYAK PYFLRLTLPGRIVENGSEQG SYDADKGIFTIRLPKETPGQ HFEGLNMLTALLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -36 to 0 represent a non-native residues after removal of Gst affinity tag by thrombin' _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'P22S mutant of human Shq1 CS domain' _Entity.Mutation P22S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10870.401 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25167 . Human_Shq1_CS_domain . . . . . 100.00 133 99.25 99.25 2.34e-89 . . . . 19910 1 2 no PDB 2MNW . "Solution Structure Of The P22s Mutant Of N-terminal Cs Domain Of Human Shq1" . . . . . 100.00 133 100.00 100.00 2.49e-90 . . . . 19910 1 3 no PDB 4PBD . "Crystal Structure Of The N-terminal Cs Domain Of Human Shq1" . . . . . 75.94 110 97.03 97.03 5.81e-63 . . . . 19910 1 4 no PDB 4PCK . "Crystal Structure Of The P22s Mutant Of N-terminal Cs Domain Of Human Shq1" . . . . . 75.94 110 100.00 100.00 4.48e-66 . . . . 19910 1 5 no GB AAH17204 . "SHQ1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 6 no GB AAH17274 . "SHQ1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 7 no GB AAH25270 . "SHQ1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 8 no GB AAH32671 . "SHQ1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 9 no GB AAH39830 . "SHQ1 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 10 no REF NP_060600 . "protein SHQ1 homolog [Homo sapiens]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 11 no REF XP_001082636 . "PREDICTED: protein SHQ1 homolog isoform 2 [Macaca mulatta]" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 1 12 no REF XP_001141951 . "PREDICTED: protein SHQ1 homolog isoform X1 [Pan troglodytes]" . . . . . 72.18 577 98.96 98.96 1.47e-57 . . . . 19910 1 13 no REF XP_003264945 . "PREDICTED: protein SHQ1 homolog isoform X1 [Nomascus leucogenys]" . . . . . 72.18 577 98.96 98.96 2.55e-57 . . . . 19910 1 14 no REF XP_003780373 . "PREDICTED: LOW QUALITY PROTEIN: protein SHQ1 homolog [Pongo abelii]" . . . . . 72.18 577 98.96 98.96 2.55e-57 . . . . 19910 1 15 no SP Q6PI26 . "RecName: Full=Protein SHQ1 homolog" . . . . . 72.18 577 98.96 98.96 1.03e-57 . . . . 19910 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 -36 GLY . 19910 1 2 -35 SER . 19910 1 3 -34 THR . 19910 1 4 -33 ALA . 19910 1 5 -32 ILE . 19910 1 6 -31 GLY . 19910 1 7 -30 MET . 19910 1 8 -29 LYS . 19910 1 9 -28 GLU . 19910 1 10 -27 THR . 19910 1 11 -26 ALA . 19910 1 12 -25 ALA . 19910 1 13 -24 ALA . 19910 1 14 -23 LYS . 19910 1 15 -22 PHE . 19910 1 16 -21 GLU . 19910 1 17 -20 ARG . 19910 1 18 -19 GLN . 19910 1 19 -18 HIS . 19910 1 20 -17 MET . 19910 1 21 -16 ASP . 19910 1 22 -15 SER . 19910 1 23 -14 PRO . 19910 1 24 -13 ASP . 19910 1 25 -12 LEU . 19910 1 26 -11 GLY . 19910 1 27 -10 THR . 19910 1 28 -9 GLY . 19910 1 29 -8 GLY . 19910 1 30 -7 GLY . 19910 1 31 -6 SER . 19910 1 32 -5 GLY . 19910 1 33 -4 ASP . 19910 1 34 -3 ASP . 19910 1 35 -2 ASP . 19910 1 36 -1 ASP . 19910 1 37 0 LYS . 19910 1 38 1 MET . 19910 1 39 2 LEU . 19910 1 40 3 THR . 19910 1 41 4 PRO . 19910 1 42 5 ALA . 19910 1 43 6 PHE . 19910 1 44 7 ASP . 19910 1 45 8 LEU . 19910 1 46 9 SER . 19910 1 47 10 GLN . 19910 1 48 11 ASP . 19910 1 49 12 PRO . 19910 1 50 13 ASP . 19910 1 51 14 PHE . 19910 1 52 15 LEU . 19910 1 53 16 THR . 19910 1 54 17 ILE . 19910 1 55 18 ALA . 19910 1 56 19 ILE . 19910 1 57 20 ARG . 19910 1 58 21 VAL . 19910 1 59 22 SER . 19910 1 60 23 TYR . 19910 1 61 24 ALA . 19910 1 62 25 ARG . 19910 1 63 26 VAL . 19910 1 64 27 SER . 19910 1 65 28 GLU . 19910 1 66 29 PHE . 19910 1 67 30 ASP . 19910 1 68 31 VAL . 19910 1 69 32 TYR . 19910 1 70 33 PHE . 19910 1 71 34 GLU . 19910 1 72 35 GLY . 19910 1 73 36 SER . 19910 1 74 37 ASP . 19910 1 75 38 PHE . 19910 1 76 39 LYS . 19910 1 77 40 PHE . 19910 1 78 41 TYR . 19910 1 79 42 ALA . 19910 1 80 43 LYS . 19910 1 81 44 PRO . 19910 1 82 45 TYR . 19910 1 83 46 PHE . 19910 1 84 47 LEU . 19910 1 85 48 ARG . 19910 1 86 49 LEU . 19910 1 87 50 THR . 19910 1 88 51 LEU . 19910 1 89 52 PRO . 19910 1 90 53 GLY . 19910 1 91 54 ARG . 19910 1 92 55 ILE . 19910 1 93 56 VAL . 19910 1 94 57 GLU . 19910 1 95 58 ASN . 19910 1 96 59 GLY . 19910 1 97 60 SER . 19910 1 98 61 GLU . 19910 1 99 62 GLN . 19910 1 100 63 GLY . 19910 1 101 64 SER . 19910 1 102 65 TYR . 19910 1 103 66 ASP . 19910 1 104 67 ALA . 19910 1 105 68 ASP . 19910 1 106 69 LYS . 19910 1 107 70 GLY . 19910 1 108 71 ILE . 19910 1 109 72 PHE . 19910 1 110 73 THR . 19910 1 111 74 ILE . 19910 1 112 75 ARG . 19910 1 113 76 LEU . 19910 1 114 77 PRO . 19910 1 115 78 LYS . 19910 1 116 79 GLU . 19910 1 117 80 THR . 19910 1 118 81 PRO . 19910 1 119 82 GLY . 19910 1 120 83 GLN . 19910 1 121 84 HIS . 19910 1 122 85 PHE . 19910 1 123 86 GLU . 19910 1 124 87 GLY . 19910 1 125 88 LEU . 19910 1 126 89 ASN . 19910 1 127 90 MET . 19910 1 128 91 LEU . 19910 1 129 92 THR . 19910 1 130 93 ALA . 19910 1 131 94 LEU . 19910 1 132 95 LEU . 19910 1 133 96 ALA . 19910 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 19910 1 . SER 2 2 19910 1 . THR 3 3 19910 1 . ALA 4 4 19910 1 . ILE 5 5 19910 1 . GLY 6 6 19910 1 . MET 7 7 19910 1 . LYS 8 8 19910 1 . GLU 9 9 19910 1 . THR 10 10 19910 1 . ALA 11 11 19910 1 . ALA 12 12 19910 1 . ALA 13 13 19910 1 . LYS 14 14 19910 1 . PHE 15 15 19910 1 . GLU 16 16 19910 1 . ARG 17 17 19910 1 . GLN 18 18 19910 1 . HIS 19 19 19910 1 . MET 20 20 19910 1 . ASP 21 21 19910 1 . SER 22 22 19910 1 . PRO 23 23 19910 1 . ASP 24 24 19910 1 . LEU 25 25 19910 1 . GLY 26 26 19910 1 . THR 27 27 19910 1 . GLY 28 28 19910 1 . GLY 29 29 19910 1 . GLY 30 30 19910 1 . SER 31 31 19910 1 . GLY 32 32 19910 1 . ASP 33 33 19910 1 . ASP 34 34 19910 1 . ASP 35 35 19910 1 . ASP 36 36 19910 1 . LYS 37 37 19910 1 . MET 38 38 19910 1 . LEU 39 39 19910 1 . THR 40 40 19910 1 . PRO 41 41 19910 1 . ALA 42 42 19910 1 . PHE 43 43 19910 1 . ASP 44 44 19910 1 . LEU 45 45 19910 1 . SER 46 46 19910 1 . GLN 47 47 19910 1 . ASP 48 48 19910 1 . PRO 49 49 19910 1 . ASP 50 50 19910 1 . PHE 51 51 19910 1 . LEU 52 52 19910 1 . THR 53 53 19910 1 . ILE 54 54 19910 1 . ALA 55 55 19910 1 . ILE 56 56 19910 1 . ARG 57 57 19910 1 . VAL 58 58 19910 1 . SER 59 59 19910 1 . TYR 60 60 19910 1 . ALA 61 61 19910 1 . ARG 62 62 19910 1 . VAL 63 63 19910 1 . SER 64 64 19910 1 . GLU 65 65 19910 1 . PHE 66 66 19910 1 . ASP 67 67 19910 1 . VAL 68 68 19910 1 . TYR 69 69 19910 1 . PHE 70 70 19910 1 . GLU 71 71 19910 1 . GLY 72 72 19910 1 . SER 73 73 19910 1 . ASP 74 74 19910 1 . PHE 75 75 19910 1 . LYS 76 76 19910 1 . PHE 77 77 19910 1 . TYR 78 78 19910 1 . ALA 79 79 19910 1 . LYS 80 80 19910 1 . PRO 81 81 19910 1 . TYR 82 82 19910 1 . PHE 83 83 19910 1 . LEU 84 84 19910 1 . ARG 85 85 19910 1 . LEU 86 86 19910 1 . THR 87 87 19910 1 . LEU 88 88 19910 1 . PRO 89 89 19910 1 . GLY 90 90 19910 1 . ARG 91 91 19910 1 . ILE 92 92 19910 1 . VAL 93 93 19910 1 . GLU 94 94 19910 1 . ASN 95 95 19910 1 . GLY 96 96 19910 1 . SER 97 97 19910 1 . GLU 98 98 19910 1 . GLN 99 99 19910 1 . GLY 100 100 19910 1 . SER 101 101 19910 1 . TYR 102 102 19910 1 . ASP 103 103 19910 1 . ALA 104 104 19910 1 . ASP 105 105 19910 1 . LYS 106 106 19910 1 . GLY 107 107 19910 1 . ILE 108 108 19910 1 . PHE 109 109 19910 1 . THR 110 110 19910 1 . ILE 111 111 19910 1 . ARG 112 112 19910 1 . LEU 113 113 19910 1 . PRO 114 114 19910 1 . LYS 115 115 19910 1 . GLU 116 116 19910 1 . THR 117 117 19910 1 . PRO 118 118 19910 1 . GLY 119 119 19910 1 . GLN 120 120 19910 1 . HIS 121 121 19910 1 . PHE 122 122 19910 1 . GLU 123 123 19910 1 . GLY 124 124 19910 1 . LEU 125 125 19910 1 . ASN 126 126 19910 1 . MET 127 127 19910 1 . LEU 128 128 19910 1 . THR 129 129 19910 1 . ALA 130 130 19910 1 . LEU 131 131 19910 1 . LEU 132 132 19910 1 . ALA 133 133 19910 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19910 _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 $P22S_mutant_of_human_Shq1_CS_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SHQ1 . . . . 19910 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 19910 _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 $P22S_mutant_of_human_Shq1_CS_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . 'pET41 Ek/LIC' . . . . . . 19910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19910 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'P22S mutant of human Shq1 CS domain' [U-15N] . . 1 $P22S_mutant_of_human_Shq1_CS_domain . . . 0.5 1 mM . . . . 19910 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19910 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19910 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19910 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19910 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19910 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19910 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'P22S mutant of human Shq1 CS domain' '[U-99% 13C; U-99% 15N]' . . 1 $P22S_mutant_of_human_Shq1_CS_domain . . . 0.5 1 mM . . . . 19910 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19910 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19910 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19910 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19910 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19910 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19910 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N D2O sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'P22S mutant of human Shq1 CS domain' '[U-99% 13C; U-99% 15N]' . . 1 $P22S_mutant_of_human_Shq1_CS_domain . . . 0.5 1 mM . . . . 19910 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19910 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19910 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19910 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19910 3 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 19910 _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 temperature 298 . K 19910 1 pH 7 . pH 19910 1 pressure 1 . atm 19910 1 'ionic strength' 100 . mM 19910 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 19910 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19910 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19910 1 processing 19910 1 'data analysis' 19910 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19910 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19910 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19910 2 'data analysis' 19910 2 processing 19910 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19910 _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' . . 19910 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19910 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19910 _Software.ID 4 _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' . . 19910 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19910 4 'chemical shift assignment' 19910 4 processing 19910 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19910 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19910 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19910 5 'chemical shift assignment' 19910 5 'chemical shift calculation' 19910 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19910 _Software.ID 6 _Software.Name NMRDraw _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' . . 19910 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19910 6 'data analysis' 19910 6 processing 19910 6 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 19910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With a cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19910 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'With a cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 19910 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'With a cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19910 _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 . 800 'With a cryo probe' . . 19910 1 2 spectrometer_2 Bruker DRX . 600 'With a cryo probe' . . 19910 1 3 spectrometer_3 Bruker DRX . 500 'With a cryo probe' . . 19910 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 19910 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and residual dipolar coupling data' 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 . . . . . . . . . . . . . . . . . . . . . 19910 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 15 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 1 16 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19910 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 19910 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19910 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19910 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19910 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 19910 _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' 1 $sample_1 . 19910 1 2 '2D 1H-13C HSQC' 2 $sample_2 . 19910 1 3 '3D CBCA(CO)NH' 2 $sample_2 . 19910 1 4 '3D C(CO)NH' 2 $sample_2 . 19910 1 5 '3D HNCO' 2 $sample_2 . 19910 1 6 '3D HNCA' 2 $sample_2 . 19910 1 7 '3D HNCACB' 2 $sample_2 . 19910 1 8 '3D HN(CO)CA' 2 $sample_2 . 19910 1 9 '3D HCCH-TOCSY' 3 $sample_3 . 19910 1 10 '3D HCCH-TOCSY' 2 $sample_2 . 19910 1 11 '3D HBHA(CO)NH' 2 $sample_2 . 19910 1 16 '3D HCACO' 2 $sample_2 . 19910 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 38 38 MET HA H 1 4.722 0.02 . 1 . . . A 1 MET HA . 19910 1 2 . 1 1 38 38 MET HB2 H 1 1.986 0.02 . 1 . . . A 1 MET HB2 . 19910 1 3 . 1 1 38 38 MET HB3 H 1 1.986 0.02 . 1 . . . A 1 MET HB3 . 19910 1 4 . 1 1 38 38 MET HG2 H 1 2.362 0.02 . 1 . . . A 1 MET HG2 . 19910 1 5 . 1 1 38 38 MET HG3 H 1 2.362 0.02 . 1 . . . A 1 MET HG3 . 19910 1 6 . 1 1 38 38 MET C C 13 175.810 0.30 . 1 . . . A 1 MET C . 19910 1 7 . 1 1 38 38 MET CA C 13 54.820 0.30 . 1 . . . A 1 MET CA . 19910 1 8 . 1 1 38 38 MET CB C 13 33.760 0.30 . 1 . . . A 1 MET CB . 19910 1 9 . 1 1 38 38 MET CG C 13 32.562 0.30 . 1 . . . A 1 MET CG . 19910 1 10 . 1 1 38 38 MET N N 15 121.680 0.30 . 1 . . . A 1 MET N . 19910 1 11 . 1 1 39 39 LEU H H 1 8.690 0.02 . 1 . . . A 2 LEU H . 19910 1 12 . 1 1 39 39 LEU HA H 1 4.588 0.02 . 1 . . . A 2 LEU HA . 19910 1 13 . 1 1 39 39 LEU HB2 H 1 1.167 0.02 . 1 . . . A 2 LEU HB2 . 19910 1 14 . 1 1 39 39 LEU HB3 H 1 1.359 0.02 . 1 . . . A 2 LEU HB3 . 19910 1 15 . 1 1 39 39 LEU HG H 1 1.443 0.02 . 1 . . . A 2 LEU HG . 19910 1 16 . 1 1 39 39 LEU HD11 H 1 0.741 0.02 . 1 . . . A 2 LEU HD11 . 19910 1 17 . 1 1 39 39 LEU HD12 H 1 0.741 0.02 . 1 . . . A 2 LEU HD12 . 19910 1 18 . 1 1 39 39 LEU HD13 H 1 0.741 0.02 . 1 . . . A 2 LEU HD13 . 19910 1 19 . 1 1 39 39 LEU HD21 H 1 0.603 0.02 . 1 . . . A 2 LEU HD21 . 19910 1 20 . 1 1 39 39 LEU HD22 H 1 0.603 0.02 . 1 . . . A 2 LEU HD22 . 19910 1 21 . 1 1 39 39 LEU HD23 H 1 0.603 0.02 . 1 . . . A 2 LEU HD23 . 19910 1 22 . 1 1 39 39 LEU C C 13 176.260 0.30 . 1 . . . A 2 LEU C . 19910 1 23 . 1 1 39 39 LEU CA C 13 53.730 0.30 . 1 . . . A 2 LEU CA . 19910 1 24 . 1 1 39 39 LEU CB C 13 44.290 0.30 . 1 . . . A 2 LEU CB . 19910 1 25 . 1 1 39 39 LEU CG C 13 27.191 0.30 . 1 . . . A 2 LEU CG . 19910 1 26 . 1 1 39 39 LEU CD1 C 13 22.868 0.30 . 1 . . . A 2 LEU CD1 . 19910 1 27 . 1 1 39 39 LEU CD2 C 13 24.981 0.30 . 1 . . . A 2 LEU CD2 . 19910 1 28 . 1 1 39 39 LEU N N 15 123.170 0.30 . 1 . . . A 2 LEU N . 19910 1 29 . 1 1 40 40 THR H H 1 8.850 0.02 . 1 . . . A 3 THR H . 19910 1 30 . 1 1 40 40 THR HA H 1 5.193 0.02 . 1 . . . A 3 THR HA . 19910 1 31 . 1 1 40 40 THR HB H 1 4.110 0.02 . 1 . . . A 3 THR HB . 19910 1 32 . 1 1 40 40 THR CA C 13 59.990 0.30 . 1 . . . A 3 THR CA . 19910 1 33 . 1 1 40 40 THR CB C 13 69.950 0.30 . 1 . . . A 3 THR CB . 19910 1 34 . 1 1 40 40 THR CG2 C 13 21.840 0.30 . 1 . . . A 3 THR CG2 . 19910 1 35 . 1 1 40 40 THR N N 15 120.960 0.30 . 1 . . . A 3 THR N . 19910 1 36 . 1 1 41 41 PRO HA H 1 4.718 0.02 . 1 . . . A 4 PRO HA . 19910 1 37 . 1 1 41 41 PRO HB2 H 1 1.723 0.02 . 1 . . . A 4 PRO HB2 . 19910 1 38 . 1 1 41 41 PRO HB3 H 1 2.147 0.02 . 1 . . . A 4 PRO HB3 . 19910 1 39 . 1 1 41 41 PRO C C 13 175.870 0.30 . 1 . . . A 4 PRO C . 19910 1 40 . 1 1 41 41 PRO CA C 13 62.080 0.30 . 1 . . . A 4 PRO CA . 19910 1 41 . 1 1 41 41 PRO CB C 13 31.950 0.30 . 1 . . . A 4 PRO CB . 19910 1 42 . 1 1 42 42 ALA H H 1 8.400 0.02 . 1 . . . A 5 ALA H . 19910 1 43 . 1 1 42 42 ALA HA H 1 4.348 0.02 . 1 . . . A 5 ALA HA . 19910 1 44 . 1 1 42 42 ALA HB1 H 1 1.306 0.02 . 1 . . . A 5 ALA HB1 . 19910 1 45 . 1 1 42 42 ALA HB2 H 1 1.306 0.02 . 1 . . . A 5 ALA HB2 . 19910 1 46 . 1 1 42 42 ALA HB3 H 1 1.306 0.02 . 1 . . . A 5 ALA HB3 . 19910 1 47 . 1 1 42 42 ALA C C 13 176.360 0.30 . 1 . . . A 5 ALA C . 19910 1 48 . 1 1 42 42 ALA CA C 13 52.280 0.30 . 1 . . . A 5 ALA CA . 19910 1 49 . 1 1 42 42 ALA CB C 13 18.880 0.30 . 1 . . . A 5 ALA CB . 19910 1 50 . 1 1 42 42 ALA N N 15 122.560 0.30 . 1 . . . A 5 ALA N . 19910 1 51 . 1 1 43 43 PHE H H 1 7.740 0.02 . 1 . . . A 6 PHE H . 19910 1 52 . 1 1 43 43 PHE HA H 1 5.537 0.02 . 1 . . . A 6 PHE HA . 19910 1 53 . 1 1 43 43 PHE HB2 H 1 2.465 0.02 . 1 . . . A 6 PHE HB2 . 19910 1 54 . 1 1 43 43 PHE HB3 H 1 2.670 0.02 . 1 . . . A 6 PHE HB3 . 19910 1 55 . 1 1 43 43 PHE HD1 H 1 6.892 0.02 . 1 . . . A 6 PHE HD1 . 19910 1 56 . 1 1 43 43 PHE HD2 H 1 6.892 0.02 . 1 . . . A 6 PHE HD2 . 19910 1 57 . 1 1 43 43 PHE HE1 H 1 6.669 0.02 . 1 . . . A 6 PHE HE1 . 19910 1 58 . 1 1 43 43 PHE HE2 H 1 6.669 0.02 . 1 . . . A 6 PHE HE2 . 19910 1 59 . 1 1 43 43 PHE C C 13 172.590 0.30 . 1 . . . A 6 PHE C . 19910 1 60 . 1 1 43 43 PHE CA C 13 55.430 0.30 . 1 . . . A 6 PHE CA . 19910 1 61 . 1 1 43 43 PHE CB C 13 42.240 0.30 . 1 . . . A 6 PHE CB . 19910 1 62 . 1 1 43 43 PHE N N 15 115.160 0.30 . 1 . . . A 6 PHE N . 19910 1 63 . 1 1 44 44 ASP H H 1 8.910 0.02 . 1 . . . A 7 ASP H . 19910 1 64 . 1 1 44 44 ASP HA H 1 4.813 0.02 . 1 . . . A 7 ASP HA . 19910 1 65 . 1 1 44 44 ASP HB2 H 1 2.328 0.02 . 1 . . . A 7 ASP HB2 . 19910 1 66 . 1 1 44 44 ASP HB3 H 1 2.476 0.02 . 1 . . . A 7 ASP HB3 . 19910 1 67 . 1 1 44 44 ASP C C 13 174.530 0.30 . 1 . . . A 7 ASP C . 19910 1 68 . 1 1 44 44 ASP CA C 13 53.370 0.30 . 1 . . . A 7 ASP CA . 19910 1 69 . 1 1 44 44 ASP CB C 13 45.380 0.30 . 1 . . . A 7 ASP CB . 19910 1 70 . 1 1 44 44 ASP N N 15 118.960 0.30 . 1 . . . A 7 ASP N . 19910 1 71 . 1 1 45 45 LEU H H 1 8.750 0.02 . 1 . . . A 8 LEU H . 19910 1 72 . 1 1 45 45 LEU HA H 1 5.284 0.02 . 1 . . . A 8 LEU HA . 19910 1 73 . 1 1 45 45 LEU HB2 H 1 1.300 0.02 . 1 . . . A 8 LEU HB2 . 19910 1 74 . 1 1 45 45 LEU HB3 H 1 1.668 0.02 . 1 . . . A 8 LEU HB3 . 19910 1 75 . 1 1 45 45 LEU HG H 1 1.692 0.02 . 1 . . . A 8 LEU HG . 19910 1 76 . 1 1 45 45 LEU HD11 H 1 0.985 0.02 . 1 . . . A 8 LEU HD11 . 19910 1 77 . 1 1 45 45 LEU HD12 H 1 0.985 0.02 . 1 . . . A 8 LEU HD12 . 19910 1 78 . 1 1 45 45 LEU HD13 H 1 0.985 0.02 . 1 . . . A 8 LEU HD13 . 19910 1 79 . 1 1 45 45 LEU HD21 H 1 0.735 0.02 . 1 . . . A 8 LEU HD21 . 19910 1 80 . 1 1 45 45 LEU HD22 H 1 0.735 0.02 . 1 . . . A 8 LEU HD22 . 19910 1 81 . 1 1 45 45 LEU HD23 H 1 0.735 0.02 . 1 . . . A 8 LEU HD23 . 19910 1 82 . 1 1 45 45 LEU C C 13 175.420 0.30 . 1 . . . A 8 LEU C . 19910 1 83 . 1 1 45 45 LEU CA C 13 53.850 0.30 . 1 . . . A 8 LEU CA . 19910 1 84 . 1 1 45 45 LEU CB C 13 45.620 0.30 . 1 . . . A 8 LEU CB . 19910 1 85 . 1 1 45 45 LEU CG C 13 28.288 0.30 . 1 . . . A 8 LEU CG . 19910 1 86 . 1 1 45 45 LEU CD1 C 13 26.461 0.30 . 1 . . . A 8 LEU CD1 . 19910 1 87 . 1 1 45 45 LEU CD2 C 13 26.461 0.30 . 1 . . . A 8 LEU CD2 . 19910 1 88 . 1 1 45 45 LEU N N 15 123.470 0.30 . 1 . . . A 8 LEU N . 19910 1 89 . 1 1 46 46 SER H H 1 8.860 0.02 . 1 . . . A 9 SER H . 19910 1 90 . 1 1 46 46 SER HA H 1 4.486 0.02 . 1 . . . A 9 SER HA . 19910 1 91 . 1 1 46 46 SER HB2 H 1 3.776 0.02 . 1 . . . A 9 SER HB2 . 19910 1 92 . 1 1 46 46 SER HB3 H 1 3.776 0.02 . 1 . . . A 9 SER HB3 . 19910 1 93 . 1 1 46 46 SER C C 13 171.680 0.30 . 1 . . . A 9 SER C . 19910 1 94 . 1 1 46 46 SER CA C 13 57.000 0.30 . 1 . . . A 9 SER CA . 19910 1 95 . 1 1 46 46 SER CB C 13 65.590 0.30 . 1 . . . A 9 SER CB . 19910 1 96 . 1 1 46 46 SER N N 15 115.920 0.30 . 1 . . . A 9 SER N . 19910 1 97 . 1 1 47 47 GLN H H 1 8.800 0.02 . 1 . . . A 10 GLN H . 19910 1 98 . 1 1 47 47 GLN HA H 1 5.375 0.02 . 1 . . . A 10 GLN HA . 19910 1 99 . 1 1 47 47 GLN HB2 H 1 1.513 0.02 . 1 . . . A 10 GLN HB2 . 19910 1 100 . 1 1 47 47 GLN HB3 H 1 1.865 0.02 . 1 . . . A 10 GLN HB3 . 19910 1 101 . 1 1 47 47 GLN HG2 H 1 2.116 0.02 . 1 . . . A 10 GLN HG2 . 19910 1 102 . 1 1 47 47 GLN HG3 H 1 2.116 0.02 . 1 . . . A 10 GLN HG3 . 19910 1 103 . 1 1 47 47 GLN C C 13 172.130 0.30 . 1 . . . A 10 GLN C . 19910 1 104 . 1 1 47 47 GLN CA C 13 54.270 0.30 . 1 . . . A 10 GLN CA . 19910 1 105 . 1 1 47 47 GLN CB C 13 32.990 0.30 . 1 . . . A 10 GLN CB . 19910 1 106 . 1 1 47 47 GLN N N 15 115.230 0.30 . 1 . . . A 10 GLN N . 19910 1 107 . 1 1 48 48 ASP H H 1 8.680 0.02 . 1 . . . A 11 ASP H . 19910 1 108 . 1 1 48 48 ASP HA H 1 4.768 0.02 . 1 . . . A 11 ASP HA . 19910 1 109 . 1 1 48 48 ASP HB2 H 1 2.676 0.02 . 1 . . . A 11 ASP HB2 . 19910 1 110 . 1 1 48 48 ASP HB3 H 1 3.038 0.02 . 1 . . . A 11 ASP HB3 . 19910 1 111 . 1 1 48 48 ASP CA C 13 52.530 0.30 . 1 . . . A 11 ASP CA . 19910 1 112 . 1 1 48 48 ASP CB C 13 42.200 0.30 . 1 . . . A 11 ASP CB . 19910 1 113 . 1 1 48 48 ASP N N 15 124.270 0.30 . 1 . . . A 11 ASP N . 19910 1 114 . 1 1 49 49 PRO HA H 1 4.050 0.02 . 1 . . . A 12 PRO HA . 19910 1 115 . 1 1 49 49 PRO HB2 H 1 1.625 0.02 . 1 . . . A 12 PRO HB2 . 19910 1 116 . 1 1 49 49 PRO HB3 H 1 2.130 0.02 . 1 . . . A 12 PRO HB3 . 19910 1 117 . 1 1 49 49 PRO HD2 H 1 3.117 0.02 . 1 . . . A 12 PRO HD2 . 19910 1 118 . 1 1 49 49 PRO HD3 H 1 3.117 0.02 . 1 . . . A 12 PRO HD3 . 19910 1 119 . 1 1 49 49 PRO C C 13 175.290 0.30 . 1 . . . A 12 PRO C . 19910 1 120 . 1 1 49 49 PRO CA C 13 66.920 0.30 . 1 . . . A 12 PRO CA . 19910 1 121 . 1 1 49 49 PRO CB C 13 31.950 0.30 . 1 . . . A 12 PRO CB . 19910 1 122 . 1 1 50 50 ASP H H 1 7.990 0.02 . 1 . . . A 13 ASP H . 19910 1 123 . 1 1 50 50 ASP HA H 1 4.632 0.02 . 1 . . . A 13 ASP HA . 19910 1 124 . 1 1 50 50 ASP HB2 H 1 1.997 0.02 . 1 . . . A 13 ASP HB2 . 19910 1 125 . 1 1 50 50 ASP HB3 H 1 2.335 0.02 . 1 . . . A 13 ASP HB3 . 19910 1 126 . 1 1 50 50 ASP C C 13 176.480 0.30 . 1 . . . A 13 ASP C . 19910 1 127 . 1 1 50 50 ASP CA C 13 54.940 0.30 . 1 . . . A 13 ASP CA . 19910 1 128 . 1 1 50 50 ASP CB C 13 44.410 0.30 . 1 . . . A 13 ASP CB . 19910 1 129 . 1 1 50 50 ASP N N 15 110.550 0.30 . 1 . . . A 13 ASP N . 19910 1 130 . 1 1 51 51 PHE H H 1 8.390 0.02 . 1 . . . A 14 PHE H . 19910 1 131 . 1 1 51 51 PHE HA H 1 5.049 0.02 . 1 . . . A 14 PHE HA . 19910 1 132 . 1 1 51 51 PHE HB2 H 1 2.455 0.02 . 1 . . . A 14 PHE HB2 . 19910 1 133 . 1 1 51 51 PHE HB3 H 1 2.696 0.02 . 1 . . . A 14 PHE HB3 . 19910 1 134 . 1 1 51 51 PHE HD1 H 1 7.187 0.02 . 1 . . . A 14 PHE HD1 . 19910 1 135 . 1 1 51 51 PHE HD2 H 1 7.187 0.02 . 1 . . . A 14 PHE HD2 . 19910 1 136 . 1 1 51 51 PHE HE1 H 1 6.983 0.02 . 1 . . . A 14 PHE HE1 . 19910 1 137 . 1 1 51 51 PHE HE2 H 1 6.983 0.02 . 1 . . . A 14 PHE HE2 . 19910 1 138 . 1 1 51 51 PHE C C 13 174.690 0.30 . 1 . . . A 14 PHE C . 19910 1 139 . 1 1 51 51 PHE CA C 13 57.600 0.30 . 1 . . . A 14 PHE CA . 19910 1 140 . 1 1 51 51 PHE CB C 13 42.960 0.30 . 1 . . . A 14 PHE CB . 19910 1 141 . 1 1 51 51 PHE N N 15 118.880 0.30 . 1 . . . A 14 PHE N . 19910 1 142 . 1 1 52 52 LEU H H 1 9.200 0.02 . 1 . . . A 15 LEU H . 19910 1 143 . 1 1 52 52 LEU HA H 1 4.613 0.02 . 1 . . . A 15 LEU HA . 19910 1 144 . 1 1 52 52 LEU HB2 H 1 0.859 0.02 . 1 . . . A 15 LEU HB2 . 19910 1 145 . 1 1 52 52 LEU HB3 H 1 1.572 0.02 . 1 . . . A 15 LEU HB3 . 19910 1 146 . 1 1 52 52 LEU HG H 1 1.272 0.02 . 1 . . . A 15 LEU HG . 19910 1 147 . 1 1 52 52 LEU HD11 H 1 0.694 0.02 . 1 . . . A 15 LEU HD11 . 19910 1 148 . 1 1 52 52 LEU HD12 H 1 0.694 0.02 . 1 . . . A 15 LEU HD12 . 19910 1 149 . 1 1 52 52 LEU HD13 H 1 0.694 0.02 . 1 . . . A 15 LEU HD13 . 19910 1 150 . 1 1 52 52 LEU HD21 H 1 0.611 0.02 . 1 . . . A 15 LEU HD21 . 19910 1 151 . 1 1 52 52 LEU HD22 H 1 0.611 0.02 . 1 . . . A 15 LEU HD22 . 19910 1 152 . 1 1 52 52 LEU HD23 H 1 0.611 0.02 . 1 . . . A 15 LEU HD23 . 19910 1 153 . 1 1 52 52 LEU C C 13 174.780 0.30 . 1 . . . A 15 LEU C . 19910 1 154 . 1 1 52 52 LEU CA C 13 53.250 0.30 . 1 . . . A 15 LEU CA . 19910 1 155 . 1 1 52 52 LEU CB C 13 45.020 0.30 . 1 . . . A 15 LEU CB . 19910 1 156 . 1 1 52 52 LEU CG C 13 27.177 0.30 . 1 . . . A 15 LEU CG . 19910 1 157 . 1 1 52 52 LEU CD1 C 13 24.938 0.30 . 1 . . . A 15 LEU CD1 . 19910 1 158 . 1 1 52 52 LEU CD2 C 13 24.938 0.30 . 1 . . . A 15 LEU CD2 . 19910 1 159 . 1 1 52 52 LEU N N 15 123.990 0.30 . 1 . . . A 15 LEU N . 19910 1 160 . 1 1 53 53 THR H H 1 9.000 0.02 . 1 . . . A 16 THR H . 19910 1 161 . 1 1 53 53 THR HA H 1 4.849 0.02 . 1 . . . A 16 THR HA . 19910 1 162 . 1 1 53 53 THR HB H 1 3.694 0.02 . 1 . . . A 16 THR HB . 19910 1 163 . 1 1 53 53 THR C C 13 172.810 0.30 . 1 . . . A 16 THR C . 19910 1 164 . 1 1 53 53 THR CA C 13 62.690 0.30 . 1 . . . A 16 THR CA . 19910 1 165 . 1 1 53 53 THR CB C 13 69.340 0.30 . 1 . . . A 16 THR CB . 19910 1 166 . 1 1 53 53 THR CG2 C 13 21.255 0.30 . 1 . . . A 16 THR CG2 . 19910 1 167 . 1 1 53 53 THR N N 15 122.960 0.30 . 1 . . . A 16 THR N . 19910 1 168 . 1 1 54 54 ILE H H 1 8.680 0.02 . 1 . . . A 17 ILE H . 19910 1 169 . 1 1 54 54 ILE HA H 1 4.439 0.02 . 1 . . . A 17 ILE HA . 19910 1 170 . 1 1 54 54 ILE HB H 1 1.205 0.02 . 1 . . . A 17 ILE HB . 19910 1 171 . 1 1 54 54 ILE HD11 H 1 -0.371 0.02 . 1 . . . A 17 ILE HD11 . 19910 1 172 . 1 1 54 54 ILE HD12 H 1 -0.371 0.02 . 1 . . . A 17 ILE HD12 . 19910 1 173 . 1 1 54 54 ILE HD13 H 1 -0.371 0.02 . 1 . . . A 17 ILE HD13 . 19910 1 174 . 1 1 54 54 ILE C C 13 172.580 0.30 . 1 . . . A 17 ILE C . 19910 1 175 . 1 1 54 54 ILE CA C 13 60.030 0.30 . 1 . . . A 17 ILE CA . 19910 1 176 . 1 1 54 54 ILE CB C 13 39.450 0.30 . 1 . . . A 17 ILE CB . 19910 1 177 . 1 1 54 54 ILE CG1 C 13 25.940 0.30 . 1 . . . A 17 ILE CG1 . 19910 1 178 . 1 1 54 54 ILE CG2 C 13 15.980 0.30 . 1 . . . A 17 ILE CG2 . 19910 1 179 . 1 1 54 54 ILE CD1 C 13 12.463 0.30 . 1 . . . A 17 ILE CD1 . 19910 1 180 . 1 1 54 54 ILE N N 15 126.630 0.30 . 1 . . . A 17 ILE N . 19910 1 181 . 1 1 55 55 ALA H H 1 8.490 0.02 . 1 . . . A 18 ALA H . 19910 1 182 . 1 1 55 55 ALA HA H 1 5.215 0.02 . 1 . . . A 18 ALA HA . 19910 1 183 . 1 1 55 55 ALA HB1 H 1 1.060 0.02 . 1 . . . A 18 ALA HB1 . 19910 1 184 . 1 1 55 55 ALA HB2 H 1 1.060 0.02 . 1 . . . A 18 ALA HB2 . 19910 1 185 . 1 1 55 55 ALA HB3 H 1 1.060 0.02 . 1 . . . A 18 ALA HB3 . 19910 1 186 . 1 1 55 55 ALA C C 13 176.660 0.30 . 1 . . . A 18 ALA C . 19910 1 187 . 1 1 55 55 ALA CA C 13 49.980 0.30 . 1 . . . A 18 ALA CA . 19910 1 188 . 1 1 55 55 ALA CB C 13 20.570 0.30 . 1 . . . A 18 ALA CB . 19910 1 189 . 1 1 55 55 ALA N N 15 130.190 0.30 . 1 . . . A 18 ALA N . 19910 1 190 . 1 1 56 56 ILE H H 1 9.590 0.02 . 1 . . . A 19 ILE H . 19910 1 191 . 1 1 56 56 ILE HA H 1 4.307 0.02 . 1 . . . A 19 ILE HA . 19910 1 192 . 1 1 56 56 ILE HB H 1 1.261 0.02 . 1 . . . A 19 ILE HB . 19910 1 193 . 1 1 56 56 ILE HD11 H 1 -0.004 0.02 . 1 . . . A 19 ILE HD11 . 19910 1 194 . 1 1 56 56 ILE HD12 H 1 -0.004 0.02 . 1 . . . A 19 ILE HD12 . 19910 1 195 . 1 1 56 56 ILE HD13 H 1 -0.004 0.02 . 1 . . . A 19 ILE HD13 . 19910 1 196 . 1 1 56 56 ILE C C 13 174.710 0.30 . 1 . . . A 19 ILE C . 19910 1 197 . 1 1 56 56 ILE CA C 13 60.990 0.30 . 1 . . . A 19 ILE CA . 19910 1 198 . 1 1 56 56 ILE CB C 13 40.900 0.30 . 1 . . . A 19 ILE CB . 19910 1 199 . 1 1 56 56 ILE CG1 C 13 28.280 0.30 . 1 . . . A 19 ILE CG1 . 19910 1 200 . 1 1 56 56 ILE CG2 C 13 18.910 0.30 . 1 . . . A 19 ILE CG2 . 19910 1 201 . 1 1 56 56 ILE CD1 C 13 13.630 0.30 . 1 . . . A 19 ILE CD1 . 19910 1 202 . 1 1 56 56 ILE N N 15 124.920 0.30 . 1 . . . A 19 ILE N . 19910 1 203 . 1 1 57 57 ARG H H 1 8.600 0.02 . 1 . . . A 20 ARG H . 19910 1 204 . 1 1 57 57 ARG HA H 1 4.642 0.02 . 1 . . . A 20 ARG HA . 19910 1 205 . 1 1 57 57 ARG HB2 H 1 1.668 0.02 . 1 . . . A 20 ARG HB2 . 19910 1 206 . 1 1 57 57 ARG HB3 H 1 1.767 0.02 . 1 . . . A 20 ARG HB3 . 19910 1 207 . 1 1 57 57 ARG HD2 H 1 3.757 0.02 . 1 . . . A 20 ARG HD2 . 19910 1 208 . 1 1 57 57 ARG HD3 H 1 3.757 0.02 . 1 . . . A 20 ARG HD3 . 19910 1 209 . 1 1 57 57 ARG C C 13 174.890 0.30 . 1 . . . A 20 ARG C . 19910 1 210 . 1 1 57 57 ARG CA C 13 56.030 0.30 . 1 . . . A 20 ARG CA . 19910 1 211 . 1 1 57 57 ARG CB C 13 29.530 0.30 . 1 . . . A 20 ARG CB . 19910 1 212 . 1 1 57 57 ARG CD C 13 43.137 0.30 . 1 . . . A 20 ARG CD . 19910 1 213 . 1 1 57 57 ARG N N 15 128.960 0.30 . 1 . . . A 20 ARG N . 19910 1 214 . 1 1 58 58 VAL H H 1 8.020 0.02 . 1 . . . A 21 VAL H . 19910 1 215 . 1 1 58 58 VAL HA H 1 4.010 0.02 . 1 . . . A 21 VAL HA . 19910 1 216 . 1 1 58 58 VAL HB H 1 1.956 0.02 . 1 . . . A 21 VAL HB . 19910 1 217 . 1 1 58 58 VAL C C 13 174.950 0.30 . 1 . . . A 21 VAL C . 19910 1 218 . 1 1 58 58 VAL CA C 13 59.420 0.30 . 1 . . . A 21 VAL CA . 19910 1 219 . 1 1 58 58 VAL CB C 13 33.280 0.30 . 1 . . . A 21 VAL CB . 19910 1 220 . 1 1 58 58 VAL CG1 C 13 19.497 0.30 . 1 . . . A 21 VAL CG1 . 19910 1 221 . 1 1 58 58 VAL CG2 C 13 19.497 0.30 . 1 . . . A 21 VAL CG2 . 19910 1 222 . 1 1 58 58 VAL N N 15 120.400 0.30 . 1 . . . A 21 VAL N . 19910 1 223 . 1 1 59 59 SER H H 1 7.770 0.02 . 1 . . . A 22 SER H . 19910 1 224 . 1 1 59 59 SER HA H 1 4.540 0.02 . 1 . . . A 22 SER HA . 19910 1 225 . 1 1 59 59 SER HB2 H 1 3.668 0.02 . 1 . . . A 22 SER HB2 . 19910 1 226 . 1 1 59 59 SER HB3 H 1 3.668 0.02 . 1 . . . A 22 SER HB3 . 19910 1 227 . 1 1 59 59 SER C C 13 174.110 0.30 . 1 . . . A 22 SER C . 19910 1 228 . 1 1 59 59 SER CA C 13 59.540 0.30 . 1 . . . A 22 SER CA . 19910 1 229 . 1 1 59 59 SER CB C 13 63.600 0.30 . 1 . . . A 22 SER CB . 19910 1 230 . 1 1 59 59 SER N N 15 118.050 0.30 . 1 . . . A 22 SER N . 19910 1 231 . 1 1 60 60 TYR H H 1 8.300 0.02 . 1 . . . A 23 TYR H . 19910 1 232 . 1 1 60 60 TYR HA H 1 4.493 0.02 . 1 . . . A 23 TYR HA . 19910 1 233 . 1 1 60 60 TYR HB2 H 1 2.922 0.02 . 1 . . . A 23 TYR HB2 . 19910 1 234 . 1 1 60 60 TYR HB3 H 1 3.101 0.02 . 1 . . . A 23 TYR HB3 . 19910 1 235 . 1 1 60 60 TYR HD1 H 1 7.019 0.02 . 1 . . . A 23 TYR HD1 . 19910 1 236 . 1 1 60 60 TYR HD2 H 1 7.019 0.02 . 1 . . . A 23 TYR HD2 . 19910 1 237 . 1 1 60 60 TYR HE1 H 1 6.760 0.02 . 1 . . . A 23 TYR HE1 . 19910 1 238 . 1 1 60 60 TYR HE2 H 1 6.760 0.02 . 1 . . . A 23 TYR HE2 . 19910 1 239 . 1 1 60 60 TYR C C 13 175.310 0.30 . 1 . . . A 23 TYR C . 19910 1 240 . 1 1 60 60 TYR CA C 13 58.210 0.30 . 1 . . . A 23 TYR CA . 19910 1 241 . 1 1 60 60 TYR CB C 13 37.880 0.30 . 1 . . . A 23 TYR CB . 19910 1 242 . 1 1 60 60 TYR CD1 C 13 133.451 0.30 . 1 . . . A 23 TYR CD1 . 19910 1 243 . 1 1 60 60 TYR CD2 C 13 133.451 0.30 . 1 . . . A 23 TYR CD2 . 19910 1 244 . 1 1 60 60 TYR CE1 C 13 118.418 0.30 . 1 . . . A 23 TYR CE1 . 19910 1 245 . 1 1 60 60 TYR CE2 C 13 118.418 0.30 . 1 . . . A 23 TYR CE2 . 19910 1 246 . 1 1 60 60 TYR N N 15 120.870 0.30 . 1 . . . A 23 TYR N . 19910 1 247 . 1 1 61 61 ALA H H 1 7.910 0.02 . 1 . . . A 24 ALA H . 19910 1 248 . 1 1 61 61 ALA HA H 1 4.303 0.02 . 1 . . . A 24 ALA HA . 19910 1 249 . 1 1 61 61 ALA HB1 H 1 1.261 0.02 . 1 . . . A 24 ALA HB1 . 19910 1 250 . 1 1 61 61 ALA HB2 H 1 1.261 0.02 . 1 . . . A 24 ALA HB2 . 19910 1 251 . 1 1 61 61 ALA HB3 H 1 1.261 0.02 . 1 . . . A 24 ALA HB3 . 19910 1 252 . 1 1 61 61 ALA C C 13 177.160 0.30 . 1 . . . A 24 ALA C . 19910 1 253 . 1 1 61 61 ALA CA C 13 52.520 0.30 . 1 . . . A 24 ALA CA . 19910 1 254 . 1 1 61 61 ALA CB C 13 19.730 0.30 . 1 . . . A 24 ALA CB . 19910 1 255 . 1 1 61 61 ALA N N 15 122.670 0.30 . 1 . . . A 24 ALA N . 19910 1 256 . 1 1 62 62 ARG H H 1 8.220 0.02 . 1 . . . A 25 ARG H . 19910 1 257 . 1 1 62 62 ARG HA H 1 4.346 0.02 . 1 . . . A 25 ARG HA . 19910 1 258 . 1 1 62 62 ARG HB2 H 1 1.575 0.02 . 1 . . . A 25 ARG HB2 . 19910 1 259 . 1 1 62 62 ARG HB3 H 1 1.792 0.02 . 1 . . . A 25 ARG HB3 . 19910 1 260 . 1 1 62 62 ARG HG2 H 1 1.680 0.02 . 1 . . . A 25 ARG HG2 . 19910 1 261 . 1 1 62 62 ARG HG3 H 1 1.680 0.02 . 1 . . . A 25 ARG HG3 . 19910 1 262 . 1 1 62 62 ARG HD2 H 1 3.101 0.02 . 1 . . . A 25 ARG HD2 . 19910 1 263 . 1 1 62 62 ARG HD3 H 1 3.101 0.02 . 1 . . . A 25 ARG HD3 . 19910 1 264 . 1 1 62 62 ARG C C 13 175.830 0.30 . 1 . . . A 25 ARG C . 19910 1 265 . 1 1 62 62 ARG CA C 13 55.550 0.30 . 1 . . . A 25 ARG CA . 19910 1 266 . 1 1 62 62 ARG CB C 13 30.500 0.30 . 1 . . . A 25 ARG CB . 19910 1 267 . 1 1 62 62 ARG CD C 13 43.124 0.30 . 1 . . . A 25 ARG CD . 19910 1 268 . 1 1 62 62 ARG N N 15 119.060 0.30 . 1 . . . A 25 ARG N . 19910 1 269 . 1 1 63 63 VAL H H 1 7.650 0.02 . 1 . . . A 26 VAL H . 19910 1 270 . 1 1 63 63 VAL HA H 1 3.454 0.02 . 1 . . . A 26 VAL HA . 19910 1 271 . 1 1 63 63 VAL HB H 1 1.812 0.02 . 1 . . . A 26 VAL HB . 19910 1 272 . 1 1 63 63 VAL C C 13 175.700 0.30 . 1 . . . A 26 VAL C . 19910 1 273 . 1 1 63 63 VAL CA C 13 61.960 0.30 . 1 . . . A 26 VAL CA . 19910 1 274 . 1 1 63 63 VAL CB C 13 32.800 0.30 . 1 . . . A 26 VAL CB . 19910 1 275 . 1 1 63 63 VAL CG1 C 13 22.427 0.30 . 1 . . . A 26 VAL CG1 . 19910 1 276 . 1 1 63 63 VAL CG2 C 13 21.255 0.30 . 1 . . . A 26 VAL CG2 . 19910 1 277 . 1 1 63 63 VAL N N 15 118.660 0.30 . 1 . . . A 26 VAL N . 19910 1 278 . 1 1 64 64 SER H H 1 8.180 0.02 . 1 . . . A 27 SER H . 19910 1 279 . 1 1 64 64 SER HA H 1 4.183 0.02 . 1 . . . A 27 SER HA . 19910 1 280 . 1 1 64 64 SER HB2 H 1 3.653 0.02 . 1 . . . A 27 SER HB2 . 19910 1 281 . 1 1 64 64 SER HB3 H 1 3.752 0.02 . 1 . . . A 27 SER HB3 . 19910 1 282 . 1 1 64 64 SER C C 13 173.750 0.30 . 1 . . . A 27 SER C . 19910 1 283 . 1 1 64 64 SER CA C 13 58.570 0.30 . 1 . . . A 27 SER CA . 19910 1 284 . 1 1 64 64 SER CB C 13 63.530 0.30 . 1 . . . A 27 SER CB . 19910 1 285 . 1 1 64 64 SER N N 15 116.090 0.30 . 1 . . . A 27 SER N . 19910 1 286 . 1 1 65 65 GLU H H 1 7.400 0.02 . 1 . . . A 28 GLU H . 19910 1 287 . 1 1 65 65 GLU HA H 1 4.203 0.02 . 1 . . . A 28 GLU HA . 19910 1 288 . 1 1 65 65 GLU HB2 H 1 1.724 0.02 . 1 . . . A 28 GLU HB2 . 19910 1 289 . 1 1 65 65 GLU HB3 H 1 1.949 0.02 . 1 . . . A 28 GLU HB3 . 19910 1 290 . 1 1 65 65 GLU C C 13 174.790 0.30 . 1 . . . A 28 GLU C . 19910 1 291 . 1 1 65 65 GLU CA C 13 55.550 0.30 . 1 . . . A 28 GLU CA . 19910 1 292 . 1 1 65 65 GLU CB C 13 30.620 0.30 . 1 . . . A 28 GLU CB . 19910 1 293 . 1 1 65 65 GLU CG C 13 36.073 0.30 . 1 . . . A 28 GLU CG . 19910 1 294 . 1 1 65 65 GLU N N 15 120.070 0.30 . 1 . . . A 28 GLU N . 19910 1 295 . 1 1 66 66 PHE H H 1 7.820 0.02 . 1 . . . A 29 PHE H . 19910 1 296 . 1 1 66 66 PHE HA H 1 4.487 0.02 . 1 . . . A 29 PHE HA . 19910 1 297 . 1 1 66 66 PHE HB2 H 1 2.328 0.02 . 1 . . . A 29 PHE HB2 . 19910 1 298 . 1 1 66 66 PHE HB3 H 1 2.689 0.02 . 1 . . . A 29 PHE HB3 . 19910 1 299 . 1 1 66 66 PHE HE1 H 1 6.668 0.02 . 1 . . . A 29 PHE HE1 . 19910 1 300 . 1 1 66 66 PHE HE2 H 1 6.668 0.02 . 1 . . . A 29 PHE HE2 . 19910 1 301 . 1 1 66 66 PHE C C 13 174.580 0.30 . 1 . . . A 29 PHE C . 19910 1 302 . 1 1 66 66 PHE CA C 13 55.790 0.30 . 1 . . . A 29 PHE CA . 19910 1 303 . 1 1 66 66 PHE CB C 13 39.690 0.30 . 1 . . . A 29 PHE CB . 19910 1 304 . 1 1 66 66 PHE N N 15 120.340 0.30 . 1 . . . A 29 PHE N . 19910 1 305 . 1 1 67 67 ASP H H 1 8.420 0.02 . 1 . . . A 30 ASP H . 19910 1 306 . 1 1 67 67 ASP HA H 1 4.817 0.02 . 1 . . . A 30 ASP HA . 19910 1 307 . 1 1 67 67 ASP HB2 H 1 2.486 0.02 . 1 . . . A 30 ASP HB2 . 19910 1 308 . 1 1 67 67 ASP HB3 H 1 2.709 0.02 . 1 . . . A 30 ASP HB3 . 19910 1 309 . 1 1 67 67 ASP C C 13 174.040 0.30 . 1 . . . A 30 ASP C . 19910 1 310 . 1 1 67 67 ASP CA C 13 53.850 0.30 . 1 . . . A 30 ASP CA . 19910 1 311 . 1 1 67 67 ASP CB C 13 43.450 0.30 . 1 . . . A 30 ASP CB . 19910 1 312 . 1 1 67 67 ASP N N 15 123.670 0.30 . 1 . . . A 30 ASP N . 19910 1 313 . 1 1 68 68 VAL H H 1 8.270 0.02 . 1 . . . A 31 VAL H . 19910 1 314 . 1 1 68 68 VAL HA H 1 4.768 0.02 . 1 . . . A 31 VAL HA . 19910 1 315 . 1 1 68 68 VAL HB H 1 2.055 0.02 . 1 . . . A 31 VAL HB . 19910 1 316 . 1 1 68 68 VAL C C 13 173.980 0.30 . 1 . . . A 31 VAL C . 19910 1 317 . 1 1 68 68 VAL CA C 13 60.510 0.30 . 1 . . . A 31 VAL CA . 19910 1 318 . 1 1 68 68 VAL CB C 13 34.730 0.30 . 1 . . . A 31 VAL CB . 19910 1 319 . 1 1 68 68 VAL CG1 C 13 22.427 0.30 . 1 . . . A 31 VAL CG1 . 19910 1 320 . 1 1 68 68 VAL CG2 C 13 22.427 0.30 . 1 . . . A 31 VAL CG2 . 19910 1 321 . 1 1 68 68 VAL N N 15 123.010 0.30 . 1 . . . A 31 VAL N . 19910 1 322 . 1 1 69 69 TYR H H 1 8.920 0.02 . 1 . . . A 32 TYR H . 19910 1 323 . 1 1 69 69 TYR HA H 1 4.624 0.02 . 1 . . . A 32 TYR HA . 19910 1 324 . 1 1 69 69 TYR HB2 H 1 2.631 0.02 . 1 . . . A 32 TYR HB2 . 19910 1 325 . 1 1 69 69 TYR HB3 H 1 2.850 0.02 . 1 . . . A 32 TYR HB3 . 19910 1 326 . 1 1 69 69 TYR HD1 H 1 6.854 0.02 . 1 . . . A 32 TYR HD1 . 19910 1 327 . 1 1 69 69 TYR HD2 H 1 6.854 0.02 . 1 . . . A 32 TYR HD2 . 19910 1 328 . 1 1 69 69 TYR HE1 H 1 6.658 0.02 . 1 . . . A 32 TYR HE1 . 19910 1 329 . 1 1 69 69 TYR HE2 H 1 6.658 0.02 . 1 . . . A 32 TYR HE2 . 19910 1 330 . 1 1 69 69 TYR C C 13 172.990 0.30 . 1 . . . A 32 TYR C . 19910 1 331 . 1 1 69 69 TYR CA C 13 56.520 0.30 . 1 . . . A 32 TYR CA . 19910 1 332 . 1 1 69 69 TYR CB C 13 41.870 0.30 . 1 . . . A 32 TYR CB . 19910 1 333 . 1 1 69 69 TYR CD1 C 13 133.177 0.30 . 1 . . . A 32 TYR CD1 . 19910 1 334 . 1 1 69 69 TYR CD2 C 13 133.177 0.30 . 1 . . . A 32 TYR CD2 . 19910 1 335 . 1 1 69 69 TYR CE1 C 13 117.410 0.30 . 1 . . . A 32 TYR CE1 . 19910 1 336 . 1 1 69 69 TYR CE2 C 13 117.410 0.30 . 1 . . . A 32 TYR CE2 . 19910 1 337 . 1 1 69 69 TYR N N 15 127.340 0.30 . 1 . . . A 32 TYR N . 19910 1 338 . 1 1 70 70 PHE H H 1 7.510 0.02 . 1 . . . A 33 PHE H . 19910 1 339 . 1 1 70 70 PHE HA H 1 5.106 0.02 . 1 . . . A 33 PHE HA . 19910 1 340 . 1 1 70 70 PHE HB2 H 1 2.931 0.02 . 1 . . . A 33 PHE HB2 . 19910 1 341 . 1 1 70 70 PHE HB3 H 1 3.265 0.02 . 1 . . . A 33 PHE HB3 . 19910 1 342 . 1 1 70 70 PHE HE1 H 1 6.867 0.02 . 1 . . . A 33 PHE HE1 . 19910 1 343 . 1 1 70 70 PHE HE2 H 1 6.867 0.02 . 1 . . . A 33 PHE HE2 . 19910 1 344 . 1 1 70 70 PHE C C 13 173.100 0.30 . 1 . . . A 33 PHE C . 19910 1 345 . 1 1 70 70 PHE CA C 13 55.310 0.30 . 1 . . . A 33 PHE CA . 19910 1 346 . 1 1 70 70 PHE CB C 13 40.420 0.30 . 1 . . . A 33 PHE CB . 19910 1 347 . 1 1 70 70 PHE N N 15 121.160 0.30 . 1 . . . A 33 PHE N . 19910 1 348 . 1 1 71 71 GLU H H 1 8.190 0.02 . 1 . . . A 34 GLU H . 19910 1 349 . 1 1 71 71 GLU HA H 1 4.099 0.02 . 1 . . . A 34 GLU HA . 19910 1 350 . 1 1 71 71 GLU HB2 H 1 1.943 0.02 . 1 . . . A 34 GLU HB2 . 19910 1 351 . 1 1 71 71 GLU HB3 H 1 1.943 0.02 . 1 . . . A 34 GLU HB3 . 19910 1 352 . 1 1 71 71 GLU HG2 H 1 2.183 0.02 . 1 . . . A 34 GLU HG2 . 19910 1 353 . 1 1 71 71 GLU HG3 H 1 2.183 0.02 . 1 . . . A 34 GLU HG3 . 19910 1 354 . 1 1 71 71 GLU C C 13 175.700 0.30 . 1 . . . A 34 GLU C . 19910 1 355 . 1 1 71 71 GLU CA C 13 56.640 0.30 . 1 . . . A 34 GLU CA . 19910 1 356 . 1 1 71 71 GLU CB C 13 31.340 0.30 . 1 . . . A 34 GLU CB . 19910 1 357 . 1 1 71 71 GLU CG C 13 35.797 0.30 . 1 . . . A 34 GLU CG . 19910 1 358 . 1 1 71 71 GLU N N 15 120.460 0.30 . 1 . . . A 34 GLU N . 19910 1 359 . 1 1 72 72 GLY H H 1 9.240 0.02 . 1 . . . A 35 GLY H . 19910 1 360 . 1 1 72 72 GLY HA2 H 1 3.502 0.02 . 1 . . . A 35 GLY HA2 . 19910 1 361 . 1 1 72 72 GLY HA3 H 1 4.020 0.02 . 1 . . . A 35 GLY HA3 . 19910 1 362 . 1 1 72 72 GLY C C 13 173.120 0.30 . 1 . . . A 35 GLY C . 19910 1 363 . 1 1 72 72 GLY CA C 13 47.680 0.30 . 1 . . . A 35 GLY CA . 19910 1 364 . 1 1 72 72 GLY N N 15 117.400 0.30 . 1 . . . A 35 GLY N . 19910 1 365 . 1 1 73 73 SER H H 1 8.930 0.02 . 1 . . . A 36 SER H . 19910 1 366 . 1 1 73 73 SER HA H 1 4.795 0.02 . 1 . . . A 36 SER HA . 19910 1 367 . 1 1 73 73 SER HB2 H 1 3.705 0.02 . 1 . . . A 36 SER HB2 . 19910 1 368 . 1 1 73 73 SER HB3 H 1 4.125 0.02 . 1 . . . A 36 SER HB3 . 19910 1 369 . 1 1 73 73 SER C C 13 172.680 0.30 . 1 . . . A 36 SER C . 19910 1 370 . 1 1 73 73 SER CA C 13 57.360 0.30 . 1 . . . A 36 SER CA . 19910 1 371 . 1 1 73 73 SER CB C 13 64.500 0.30 . 1 . . . A 36 SER CB . 19910 1 372 . 1 1 73 73 SER N N 15 122.510 0.30 . 1 . . . A 36 SER N . 19910 1 373 . 1 1 74 74 ASP H H 1 8.600 0.02 . 1 . . . A 37 ASP H . 19910 1 374 . 1 1 74 74 ASP HA H 1 5.192 0.02 . 1 . . . A 37 ASP HA . 19910 1 375 . 1 1 74 74 ASP HB2 H 1 2.799 0.02 . 1 . . . A 37 ASP HB2 . 19910 1 376 . 1 1 74 74 ASP HB3 H 1 2.799 0.02 . 1 . . . A 37 ASP HB3 . 19910 1 377 . 1 1 74 74 ASP C C 13 174.170 0.30 . 1 . . . A 37 ASP C . 19910 1 378 . 1 1 74 74 ASP CA C 13 54.340 0.30 . 1 . . . A 37 ASP CA . 19910 1 379 . 1 1 74 74 ASP CB C 13 43.810 0.30 . 1 . . . A 37 ASP CB . 19910 1 380 . 1 1 74 74 ASP N N 15 123.120 0.30 . 1 . . . A 37 ASP N . 19910 1 381 . 1 1 75 75 PHE H H 1 8.340 0.02 . 1 . . . A 38 PHE H . 19910 1 382 . 1 1 75 75 PHE HA H 1 5.053 0.02 . 1 . . . A 38 PHE HA . 19910 1 383 . 1 1 75 75 PHE HB2 H 1 2.657 0.02 . 1 . . . A 38 PHE HB2 . 19910 1 384 . 1 1 75 75 PHE HB3 H 1 2.657 0.02 . 1 . . . A 38 PHE HB3 . 19910 1 385 . 1 1 75 75 PHE HD1 H 1 7.205 0.02 . 1 . . . A 38 PHE HD1 . 19910 1 386 . 1 1 75 75 PHE HD2 H 1 7.205 0.02 . 1 . . . A 38 PHE HD2 . 19910 1 387 . 1 1 75 75 PHE HE1 H 1 6.943 0.02 . 1 . . . A 38 PHE HE1 . 19910 1 388 . 1 1 75 75 PHE HE2 H 1 6.943 0.02 . 1 . . . A 38 PHE HE2 . 19910 1 389 . 1 1 75 75 PHE C C 13 172.810 0.30 . 1 . . . A 38 PHE C . 19910 1 390 . 1 1 75 75 PHE CA C 13 57.000 0.30 . 1 . . . A 38 PHE CA . 19910 1 391 . 1 1 75 75 PHE CB C 13 43.080 0.30 . 1 . . . A 38 PHE CB . 19910 1 392 . 1 1 75 75 PHE N N 15 122.850 0.30 . 1 . . . A 38 PHE N . 19910 1 393 . 1 1 76 76 LYS H H 1 8.690 0.02 . 1 . . . A 39 LYS H . 19910 1 394 . 1 1 76 76 LYS HA H 1 4.816 0.02 . 1 . . . A 39 LYS HA . 19910 1 395 . 1 1 76 76 LYS HB2 H 1 1.536 0.02 . 1 . . . A 39 LYS HB2 . 19910 1 396 . 1 1 76 76 LYS HB3 H 1 1.536 0.02 . 1 . . . A 39 LYS HB3 . 19910 1 397 . 1 1 76 76 LYS HD2 H 1 2.689 0.02 . 1 . . . A 39 LYS HD2 . 19910 1 398 . 1 1 76 76 LYS HD3 H 1 2.689 0.02 . 1 . . . A 39 LYS HD3 . 19910 1 399 . 1 1 76 76 LYS C C 13 172.540 0.30 . 1 . . . A 39 LYS C . 19910 1 400 . 1 1 76 76 LYS CA C 13 54.890 0.30 . 1 . . . A 39 LYS CA . 19910 1 401 . 1 1 76 76 LYS CB C 13 36.790 0.30 . 1 . . . A 39 LYS CB . 19910 1 402 . 1 1 76 76 LYS N N 15 126.630 0.30 . 1 . . . A 39 LYS N . 19910 1 403 . 1 1 77 77 PHE H H 1 8.750 0.02 . 1 . . . A 40 PHE H . 19910 1 404 . 1 1 77 77 PHE HA H 1 4.923 0.02 . 1 . . . A 40 PHE HA . 19910 1 405 . 1 1 77 77 PHE HB2 H 1 2.614 0.02 . 1 . . . A 40 PHE HB2 . 19910 1 406 . 1 1 77 77 PHE HB3 H 1 2.730 0.02 . 1 . . . A 40 PHE HB3 . 19910 1 407 . 1 1 77 77 PHE HD1 H 1 7.166 0.02 . 1 . . . A 40 PHE HD1 . 19910 1 408 . 1 1 77 77 PHE HD2 H 1 7.166 0.02 . 1 . . . A 40 PHE HD2 . 19910 1 409 . 1 1 77 77 PHE HE1 H 1 6.954 0.02 . 1 . . . A 40 PHE HE1 . 19910 1 410 . 1 1 77 77 PHE HE2 H 1 6.954 0.02 . 1 . . . A 40 PHE HE2 . 19910 1 411 . 1 1 77 77 PHE C C 13 171.900 0.30 . 1 . . . A 40 PHE C . 19910 1 412 . 1 1 77 77 PHE CA C 13 55.910 0.30 . 1 . . . A 40 PHE CA . 19910 1 413 . 1 1 77 77 PHE CB C 13 43.450 0.30 . 1 . . . A 40 PHE CB . 19910 1 414 . 1 1 77 77 PHE N N 15 123.910 0.30 . 1 . . . A 40 PHE N . 19910 1 415 . 1 1 78 78 TYR H H 1 8.450 0.02 . 1 . . . A 41 TYR H . 19910 1 416 . 1 1 78 78 TYR HA H 1 4.958 0.02 . 1 . . . A 41 TYR HA . 19910 1 417 . 1 1 78 78 TYR HB2 H 1 2.845 0.02 . 1 . . . A 41 TYR HB2 . 19910 1 418 . 1 1 78 78 TYR HB3 H 1 2.845 0.02 . 1 . . . A 41 TYR HB3 . 19910 1 419 . 1 1 78 78 TYR HD1 H 1 7.170 0.02 . 1 . . . A 41 TYR HD1 . 19910 1 420 . 1 1 78 78 TYR HD2 H 1 7.170 0.02 . 1 . . . A 41 TYR HD2 . 19910 1 421 . 1 1 78 78 TYR HE1 H 1 6.594 0.02 . 1 . . . A 41 TYR HE1 . 19910 1 422 . 1 1 78 78 TYR HE2 H 1 6.594 0.02 . 1 . . . A 41 TYR HE2 . 19910 1 423 . 1 1 78 78 TYR C C 13 173.070 0.30 . 1 . . . A 41 TYR C . 19910 1 424 . 1 1 78 78 TYR CA C 13 55.670 0.30 . 1 . . . A 41 TYR CA . 19910 1 425 . 1 1 78 78 TYR CB C 13 41.510 0.30 . 1 . . . A 41 TYR CB . 19910 1 426 . 1 1 78 78 TYR CD1 C 13 133.800 0.30 . 1 . . . A 41 TYR CD1 . 19910 1 427 . 1 1 78 78 TYR CD2 C 13 133.800 0.30 . 1 . . . A 41 TYR CD2 . 19910 1 428 . 1 1 78 78 TYR CE1 C 13 118.090 0.30 . 1 . . . A 41 TYR CE1 . 19910 1 429 . 1 1 78 78 TYR CE2 C 13 118.090 0.30 . 1 . . . A 41 TYR CE2 . 19910 1 430 . 1 1 78 78 TYR N N 15 126.490 0.30 . 1 . . . A 41 TYR N . 19910 1 431 . 1 1 79 79 ALA H H 1 7.970 0.02 . 1 . . . A 42 ALA H . 19910 1 432 . 1 1 79 79 ALA HA H 1 4.024 0.02 . 1 . . . A 42 ALA HA . 19910 1 433 . 1 1 79 79 ALA HB1 H 1 0.729 0.02 . 1 . . . A 42 ALA HB1 . 19910 1 434 . 1 1 79 79 ALA HB2 H 1 0.729 0.02 . 1 . . . A 42 ALA HB2 . 19910 1 435 . 1 1 79 79 ALA HB3 H 1 0.729 0.02 . 1 . . . A 42 ALA HB3 . 19910 1 436 . 1 1 79 79 ALA C C 13 174.350 0.30 . 1 . . . A 42 ALA C . 19910 1 437 . 1 1 79 79 ALA CA C 13 51.190 0.30 . 1 . . . A 42 ALA CA . 19910 1 438 . 1 1 79 79 ALA CB C 13 20.330 0.30 . 1 . . . A 42 ALA CB . 19910 1 439 . 1 1 79 79 ALA N N 15 129.720 0.30 . 1 . . . A 42 ALA N . 19910 1 440 . 1 1 80 80 LYS H H 1 7.850 0.02 . 1 . . . A 43 LYS H . 19910 1 441 . 1 1 80 80 LYS HA H 1 3.634 0.02 . 1 . . . A 43 LYS HA . 19910 1 442 . 1 1 80 80 LYS HB2 H 1 2.241 0.02 . 1 . . . A 43 LYS HB2 . 19910 1 443 . 1 1 80 80 LYS HB3 H 1 2.241 0.02 . 1 . . . A 43 LYS HB3 . 19910 1 444 . 1 1 80 80 LYS HG2 H 1 1.911 0.02 . 1 . . . A 43 LYS HG2 . 19910 1 445 . 1 1 80 80 LYS HG3 H 1 1.911 0.02 . 1 . . . A 43 LYS HG3 . 19910 1 446 . 1 1 80 80 LYS CA C 13 56.260 0.30 . 1 . . . A 43 LYS CA . 19910 1 447 . 1 1 80 80 LYS CB C 13 32.860 0.30 . 1 . . . A 43 LYS CB . 19910 1 448 . 1 1 80 80 LYS N N 15 124.250 0.30 . 1 . . . A 43 LYS N . 19910 1 449 . 1 1 81 81 PRO HA H 1 4.487 0.02 . 1 . . . A 44 PRO HA . 19910 1 450 . 1 1 81 81 PRO HB2 H 1 1.943 0.02 . 1 . . . A 44 PRO HB2 . 19910 1 451 . 1 1 81 81 PRO HB3 H 1 2.236 0.02 . 1 . . . A 44 PRO HB3 . 19910 1 452 . 1 1 81 81 PRO HG2 H 1 1.636 0.02 . 1 . . . A 44 PRO HG2 . 19910 1 453 . 1 1 81 81 PRO HG3 H 1 1.636 0.02 . 1 . . . A 44 PRO HG3 . 19910 1 454 . 1 1 81 81 PRO C C 13 173.980 0.30 . 1 . . . A 44 PRO C . 19910 1 455 . 1 1 81 81 PRO CA C 13 64.380 0.30 . 1 . . . A 44 PRO CA . 19910 1 456 . 1 1 81 81 PRO CB C 13 34.010 0.30 . 1 . . . A 44 PRO CB . 19910 1 457 . 1 1 82 82 TYR H H 1 9.360 0.02 . 1 . . . A 45 TYR H . 19910 1 458 . 1 1 82 82 TYR HA H 1 5.274 0.02 . 1 . . . A 45 TYR HA . 19910 1 459 . 1 1 82 82 TYR HB2 H 1 2.626 0.02 . 1 . . . A 45 TYR HB2 . 19910 1 460 . 1 1 82 82 TYR HB3 H 1 3.095 0.02 . 1 . . . A 45 TYR HB3 . 19910 1 461 . 1 1 82 82 TYR HE1 H 1 6.910 0.02 . 1 . . . A 45 TYR HE1 . 19910 1 462 . 1 1 82 82 TYR HE2 H 1 6.910 0.02 . 1 . . . A 45 TYR HE2 . 19910 1 463 . 1 1 82 82 TYR C C 13 175.290 0.30 . 1 . . . A 45 TYR C . 19910 1 464 . 1 1 82 82 TYR CA C 13 58.330 0.30 . 1 . . . A 45 TYR CA . 19910 1 465 . 1 1 82 82 TYR CB C 13 40.300 0.30 . 1 . . . A 45 TYR CB . 19910 1 466 . 1 1 82 82 TYR CE1 C 13 119.949 0.30 . 1 . . . A 45 TYR CE1 . 19910 1 467 . 1 1 82 82 TYR CE2 C 13 119.949 0.30 . 1 . . . A 45 TYR CE2 . 19910 1 468 . 1 1 82 82 TYR N N 15 126.840 0.30 . 1 . . . A 45 TYR N . 19910 1 469 . 1 1 83 83 PHE H H 1 8.870 0.02 . 1 . . . A 46 PHE H . 19910 1 470 . 1 1 83 83 PHE HA H 1 5.422 0.02 . 1 . . . A 46 PHE HA . 19910 1 471 . 1 1 83 83 PHE HB2 H 1 2.694 0.02 . 1 . . . A 46 PHE HB2 . 19910 1 472 . 1 1 83 83 PHE HB3 H 1 3.191 0.02 . 1 . . . A 46 PHE HB3 . 19910 1 473 . 1 1 83 83 PHE HD1 H 1 6.992 0.02 . 1 . . . A 46 PHE HD1 . 19910 1 474 . 1 1 83 83 PHE HD2 H 1 6.992 0.02 . 1 . . . A 46 PHE HD2 . 19910 1 475 . 1 1 83 83 PHE C C 13 173.180 0.30 . 1 . . . A 46 PHE C . 19910 1 476 . 1 1 83 83 PHE CA C 13 56.520 0.30 . 1 . . . A 46 PHE CA . 19910 1 477 . 1 1 83 83 PHE CB C 13 43.930 0.30 . 1 . . . A 46 PHE CB . 19910 1 478 . 1 1 83 83 PHE N N 15 121.470 0.30 . 1 . . . A 46 PHE N . 19910 1 479 . 1 1 84 84 LEU H H 1 8.850 0.02 . 1 . . . A 47 LEU H . 19910 1 480 . 1 1 84 84 LEU HA H 1 4.565 0.02 . 1 . . . A 47 LEU HA . 19910 1 481 . 1 1 84 84 LEU HB2 H 1 1.027 0.02 . 1 . . . A 47 LEU HB2 . 19910 1 482 . 1 1 84 84 LEU HB3 H 1 1.683 0.02 . 1 . . . A 47 LEU HB3 . 19910 1 483 . 1 1 84 84 LEU HG H 1 1.292 0.02 . 1 . . . A 47 LEU HG . 19910 1 484 . 1 1 84 84 LEU HD11 H 1 0.692 0.02 . 1 . . . A 47 LEU HD11 . 19910 1 485 . 1 1 84 84 LEU HD12 H 1 0.692 0.02 . 1 . . . A 47 LEU HD12 . 19910 1 486 . 1 1 84 84 LEU HD13 H 1 0.692 0.02 . 1 . . . A 47 LEU HD13 . 19910 1 487 . 1 1 84 84 LEU HD21 H 1 0.270 0.02 . 1 . . . A 47 LEU HD21 . 19910 1 488 . 1 1 84 84 LEU HD22 H 1 0.270 0.02 . 1 . . . A 47 LEU HD22 . 19910 1 489 . 1 1 84 84 LEU HD23 H 1 0.270 0.02 . 1 . . . A 47 LEU HD23 . 19910 1 490 . 1 1 84 84 LEU C C 13 171.770 0.30 . 1 . . . A 47 LEU C . 19910 1 491 . 1 1 84 84 LEU CA C 13 53.130 0.30 . 1 . . . A 47 LEU CA . 19910 1 492 . 1 1 84 84 LEU CB C 13 47.560 0.30 . 1 . . . A 47 LEU CB . 19910 1 493 . 1 1 84 84 LEU CG C 13 28.288 0.30 . 1 . . . A 47 LEU CG . 19910 1 494 . 1 1 84 84 LEU CD1 C 13 23.599 0.30 . 1 . . . A 47 LEU CD1 . 19910 1 495 . 1 1 84 84 LEU CD2 C 13 25.944 0.30 . 1 . . . A 47 LEU CD2 . 19910 1 496 . 1 1 84 84 LEU N N 15 129.700 0.30 . 1 . . . A 47 LEU N . 19910 1 497 . 1 1 85 85 ARG H H 1 8.620 0.02 . 1 . . . A 48 ARG H . 19910 1 498 . 1 1 85 85 ARG HA H 1 5.283 0.02 . 1 . . . A 48 ARG HA . 19910 1 499 . 1 1 85 85 ARG HB2 H 1 1.526 0.02 . 1 . . . A 48 ARG HB2 . 19910 1 500 . 1 1 85 85 ARG HB3 H 1 1.822 0.02 . 1 . . . A 48 ARG HB3 . 19910 1 501 . 1 1 85 85 ARG HG2 H 1 1.327 0.02 . 1 . . . A 48 ARG HG2 . 19910 1 502 . 1 1 85 85 ARG HG3 H 1 1.418 0.02 . 1 . . . A 48 ARG HG3 . 19910 1 503 . 1 1 85 85 ARG HD2 H 1 3.138 0.02 . 1 . . . A 48 ARG HD2 . 19910 1 504 . 1 1 85 85 ARG HD3 H 1 3.138 0.02 . 1 . . . A 48 ARG HD3 . 19910 1 505 . 1 1 85 85 ARG C C 13 174.090 0.30 . 1 . . . A 48 ARG C . 19910 1 506 . 1 1 85 85 ARG CA C 13 54.100 0.30 . 1 . . . A 48 ARG CA . 19910 1 507 . 1 1 85 85 ARG CB C 13 33.160 0.30 . 1 . . . A 48 ARG CB . 19910 1 508 . 1 1 85 85 ARG N N 15 127.760 0.30 . 1 . . . A 48 ARG N . 19910 1 509 . 1 1 86 86 LEU H H 1 8.970 0.02 . 1 . . . A 49 LEU H . 19910 1 510 . 1 1 86 86 LEU HA H 1 4.855 0.02 . 1 . . . A 49 LEU HA . 19910 1 511 . 1 1 86 86 LEU HB2 H 1 1.124 0.02 . 1 . . . A 49 LEU HB2 . 19910 1 512 . 1 1 86 86 LEU HB3 H 1 1.382 0.02 . 1 . . . A 49 LEU HB3 . 19910 1 513 . 1 1 86 86 LEU HG H 1 1.200 0.02 . 1 . . . A 49 LEU HG . 19910 1 514 . 1 1 86 86 LEU HD11 H 1 0.487 0.02 . 1 . . . A 49 LEU HD11 . 19910 1 515 . 1 1 86 86 LEU HD12 H 1 0.487 0.02 . 1 . . . A 49 LEU HD12 . 19910 1 516 . 1 1 86 86 LEU HD13 H 1 0.487 0.02 . 1 . . . A 49 LEU HD13 . 19910 1 517 . 1 1 86 86 LEU HD21 H 1 0.195 0.02 . 1 . . . A 49 LEU HD21 . 19910 1 518 . 1 1 86 86 LEU HD22 H 1 0.195 0.02 . 1 . . . A 49 LEU HD22 . 19910 1 519 . 1 1 86 86 LEU HD23 H 1 0.195 0.02 . 1 . . . A 49 LEU HD23 . 19910 1 520 . 1 1 86 86 LEU C C 13 175.880 0.30 . 1 . . . A 49 LEU C . 19910 1 521 . 1 1 86 86 LEU CA C 13 52.880 0.30 . 1 . . . A 49 LEU CA . 19910 1 522 . 1 1 86 86 LEU CB C 13 47.800 0.30 . 1 . . . A 49 LEU CB . 19910 1 523 . 1 1 86 86 LEU CG C 13 27.708 0.30 . 1 . . . A 49 LEU CG . 19910 1 524 . 1 1 86 86 LEU CD1 C 13 25.357 0.30 . 1 . . . A 49 LEU CD1 . 19910 1 525 . 1 1 86 86 LEU CD2 C 13 25.357 0.30 . 1 . . . A 49 LEU CD2 . 19910 1 526 . 1 1 86 86 LEU N N 15 122.890 0.30 . 1 . . . A 49 LEU N . 19910 1 527 . 1 1 87 87 THR H H 1 8.670 0.02 . 1 . . . A 50 THR H . 19910 1 528 . 1 1 87 87 THR HA H 1 4.862 0.02 . 1 . . . A 50 THR HA . 19910 1 529 . 1 1 87 87 THR HB H 1 3.872 0.02 . 1 . . . A 50 THR HB . 19910 1 530 . 1 1 87 87 THR C C 13 174.610 0.30 . 1 . . . A 50 THR C . 19910 1 531 . 1 1 87 87 THR CA C 13 61.110 0.30 . 1 . . . A 50 THR CA . 19910 1 532 . 1 1 87 87 THR CB C 13 69.220 0.30 . 1 . . . A 50 THR CB . 19910 1 533 . 1 1 87 87 THR CG2 C 13 23.010 0.30 . 1 . . . A 50 THR CG2 . 19910 1 534 . 1 1 87 87 THR N N 15 118.610 0.30 . 1 . . . A 50 THR N . 19910 1 535 . 1 1 88 88 LEU H H 1 9.540 0.02 . 1 . . . A 51 LEU H . 19910 1 536 . 1 1 88 88 LEU HA H 1 4.302 0.02 . 1 . . . A 51 LEU HA . 19910 1 537 . 1 1 88 88 LEU HB2 H 1 1.299 0.02 . 1 . . . A 51 LEU HB2 . 19910 1 538 . 1 1 88 88 LEU HB3 H 1 1.299 0.02 . 1 . . . A 51 LEU HB3 . 19910 1 539 . 1 1 88 88 LEU HG H 1 1.653 0.02 . 1 . . . A 51 LEU HG . 19910 1 540 . 1 1 88 88 LEU HD11 H 1 0.692 0.02 . 1 . . . A 51 LEU HD11 . 19910 1 541 . 1 1 88 88 LEU HD12 H 1 0.692 0.02 . 1 . . . A 51 LEU HD12 . 19910 1 542 . 1 1 88 88 LEU HD13 H 1 0.692 0.02 . 1 . . . A 51 LEU HD13 . 19910 1 543 . 1 1 88 88 LEU HD21 H 1 0.514 0.02 . 1 . . . A 51 LEU HD21 . 19910 1 544 . 1 1 88 88 LEU HD22 H 1 0.514 0.02 . 1 . . . A 51 LEU HD22 . 19910 1 545 . 1 1 88 88 LEU HD23 H 1 0.514 0.02 . 1 . . . A 51 LEU HD23 . 19910 1 546 . 1 1 88 88 LEU CA C 13 52.650 0.30 . 1 . . . A 51 LEU CA . 19910 1 547 . 1 1 88 88 LEU CB C 13 41.950 0.30 . 1 . . . A 51 LEU CB . 19910 1 548 . 1 1 88 88 LEU CG C 13 27.116 0.30 . 1 . . . A 51 LEU CG . 19910 1 549 . 1 1 88 88 LEU CD1 C 13 23.013 0.30 . 1 . . . A 51 LEU CD1 . 19910 1 550 . 1 1 88 88 LEU CD2 C 13 23.013 0.30 . 1 . . . A 51 LEU CD2 . 19910 1 551 . 1 1 88 88 LEU N N 15 126.300 0.30 . 1 . . . A 51 LEU N . 19910 1 552 . 1 1 89 89 PRO HA H 1 4.401 0.02 . 1 . . . A 52 PRO HA . 19910 1 553 . 1 1 89 89 PRO HB2 H 1 1.900 0.02 . 1 . . . A 52 PRO HB2 . 19910 1 554 . 1 1 89 89 PRO HB3 H 1 2.125 0.02 . 1 . . . A 52 PRO HB3 . 19910 1 555 . 1 1 89 89 PRO HG2 H 1 2.041 0.02 . 1 . . . A 52 PRO HG2 . 19910 1 556 . 1 1 89 89 PRO HG3 H 1 1.479 0.02 . 1 . . . A 52 PRO HG3 . 19910 1 557 . 1 1 89 89 PRO C C 13 174.240 0.30 . 1 . . . A 52 PRO C . 19910 1 558 . 1 1 89 89 PRO CA C 13 62.690 0.30 . 1 . . . A 52 PRO CA . 19910 1 559 . 1 1 89 89 PRO CB C 13 30.620 0.30 . 1 . . . A 52 PRO CB . 19910 1 560 . 1 1 89 89 PRO CG C 13 28.193 0.30 . 1 . . . A 52 PRO CG . 19910 1 561 . 1 1 90 90 GLY H H 1 6.550 0.02 . 1 . . . A 53 GLY H . 19910 1 562 . 1 1 90 90 GLY HA2 H 1 2.198 0.02 . 1 . . . A 53 GLY HA2 . 19910 1 563 . 1 1 90 90 GLY HA3 H 1 3.539 0.02 . 1 . . . A 53 GLY HA3 . 19910 1 564 . 1 1 90 90 GLY C C 13 170.520 0.30 . 1 . . . A 53 GLY C . 19910 1 565 . 1 1 90 90 GLY CA C 13 43.450 0.30 . 1 . . . A 53 GLY CA . 19910 1 566 . 1 1 90 90 GLY N N 15 105.990 0.30 . 1 . . . A 53 GLY N . 19910 1 567 . 1 1 91 91 ARG H H 1 8.210 0.02 . 1 . . . A 54 ARG H . 19910 1 568 . 1 1 91 91 ARG HA H 1 4.347 0.02 . 1 . . . A 54 ARG HA . 19910 1 569 . 1 1 91 91 ARG HB2 H 1 1.430 0.02 . 1 . . . A 54 ARG HB2 . 19910 1 570 . 1 1 91 91 ARG HB3 H 1 1.430 0.02 . 1 . . . A 54 ARG HB3 . 19910 1 571 . 1 1 91 91 ARG HD2 H 1 3.115 0.02 . 1 . . . A 54 ARG HD2 . 19910 1 572 . 1 1 91 91 ARG HD3 H 1 3.115 0.02 . 1 . . . A 54 ARG HD3 . 19910 1 573 . 1 1 91 91 ARG C C 13 176.940 0.30 . 1 . . . A 54 ARG C . 19910 1 574 . 1 1 91 91 ARG CA C 13 55.890 0.30 . 1 . . . A 54 ARG CA . 19910 1 575 . 1 1 91 91 ARG CB C 13 32.310 0.30 . 1 . . . A 54 ARG CB . 19910 1 576 . 1 1 91 91 ARG N N 15 115.660 0.30 . 1 . . . A 54 ARG N . 19910 1 577 . 1 1 92 92 ILE H H 1 8.640 0.02 . 1 . . . A 55 ILE H . 19910 1 578 . 1 1 92 92 ILE HA H 1 5.003 0.02 . 1 . . . A 55 ILE HA . 19910 1 579 . 1 1 92 92 ILE HB H 1 1.857 0.02 . 1 . . . A 55 ILE HB . 19910 1 580 . 1 1 92 92 ILE HD11 H 1 0.681 0.02 . 1 . . . A 55 ILE HD11 . 19910 1 581 . 1 1 92 92 ILE HD12 H 1 0.681 0.02 . 1 . . . A 55 ILE HD12 . 19910 1 582 . 1 1 92 92 ILE HD13 H 1 0.681 0.02 . 1 . . . A 55 ILE HD13 . 19910 1 583 . 1 1 92 92 ILE C C 13 175.310 0.30 . 1 . . . A 55 ILE C . 19910 1 584 . 1 1 92 92 ILE CA C 13 58.500 0.30 . 1 . . . A 55 ILE CA . 19910 1 585 . 1 1 92 92 ILE CB C 13 40.950 0.30 . 1 . . . A 55 ILE CB . 19910 1 586 . 1 1 92 92 ILE CG2 C 13 14.221 0.30 . 1 . . . A 55 ILE CG2 . 19910 1 587 . 1 1 92 92 ILE N N 15 118.910 0.30 . 1 . . . A 55 ILE N . 19910 1 588 . 1 1 93 93 VAL H H 1 8.330 0.02 . 1 . . . A 56 VAL H . 19910 1 589 . 1 1 93 93 VAL HA H 1 4.438 0.02 . 1 . . . A 56 VAL HA . 19910 1 590 . 1 1 93 93 VAL HB H 1 1.945 0.02 . 1 . . . A 56 VAL HB . 19910 1 591 . 1 1 93 93 VAL C C 13 172.920 0.30 . 1 . . . A 56 VAL C . 19910 1 592 . 1 1 93 93 VAL CA C 13 60.510 0.30 . 1 . . . A 56 VAL CA . 19910 1 593 . 1 1 93 93 VAL CB C 13 34.850 0.30 . 1 . . . A 56 VAL CB . 19910 1 594 . 1 1 93 93 VAL CG1 C 13 20.669 0.30 . 1 . . . A 56 VAL CG1 . 19910 1 595 . 1 1 93 93 VAL CG2 C 13 20.669 0.30 . 1 . . . A 56 VAL CG2 . 19910 1 596 . 1 1 93 93 VAL N N 15 118.140 0.30 . 1 . . . A 56 VAL N . 19910 1 597 . 1 1 94 94 GLU H H 1 8.380 0.02 . 1 . . . A 57 GLU H . 19910 1 598 . 1 1 94 94 GLU HA H 1 4.358 0.02 . 1 . . . A 57 GLU HA . 19910 1 599 . 1 1 94 94 GLU HB2 H 1 1.786 0.02 . 1 . . . A 57 GLU HB2 . 19910 1 600 . 1 1 94 94 GLU HB3 H 1 1.995 0.02 . 1 . . . A 57 GLU HB3 . 19910 1 601 . 1 1 94 94 GLU C C 13 176.350 0.30 . 1 . . . A 57 GLU C . 19910 1 602 . 1 1 94 94 GLU CA C 13 55.890 0.30 . 1 . . . A 57 GLU CA . 19910 1 603 . 1 1 94 94 GLU CB C 13 29.880 0.30 . 1 . . . A 57 GLU CB . 19910 1 604 . 1 1 94 94 GLU CG C 13 36.100 0.30 . 1 . . . A 57 GLU CG . 19910 1 605 . 1 1 94 94 GLU N N 15 123.300 0.30 . 1 . . . A 57 GLU N . 19910 1 606 . 1 1 95 95 ASN H H 1 8.360 0.02 . 1 . . . A 58 ASN H . 19910 1 607 . 1 1 95 95 ASN HA H 1 4.764 0.02 . 1 . . . A 58 ASN HA . 19910 1 608 . 1 1 95 95 ASN HB2 H 1 2.670 0.02 . 1 . . . A 58 ASN HB2 . 19910 1 609 . 1 1 95 95 ASN HB3 H 1 2.992 0.02 . 1 . . . A 58 ASN HB3 . 19910 1 610 . 1 1 95 95 ASN C C 13 176.120 0.30 . 1 . . . A 58 ASN C . 19910 1 611 . 1 1 95 95 ASN CA C 13 52.760 0.30 . 1 . . . A 58 ASN CA . 19910 1 612 . 1 1 95 95 ASN CB C 13 38.970 0.30 . 1 . . . A 58 ASN CB . 19910 1 613 . 1 1 95 95 ASN N N 15 121.570 0.30 . 1 . . . A 58 ASN N . 19910 1 614 . 1 1 96 96 GLY H H 1 9.350 0.02 . 1 . . . A 59 GLY H . 19910 1 615 . 1 1 96 96 GLY HA2 H 1 3.877 0.02 . 1 . . . A 59 GLY HA2 . 19910 1 616 . 1 1 96 96 GLY HA3 H 1 4.220 0.02 . 1 . . . A 59 GLY HA3 . 19910 1 617 . 1 1 96 96 GLY C C 13 174.840 0.30 . 1 . . . A 59 GLY C . 19910 1 618 . 1 1 96 96 GLY CA C 13 45.380 0.30 . 1 . . . A 59 GLY CA . 19910 1 619 . 1 1 96 96 GLY N N 15 112.050 0.30 . 1 . . . A 59 GLY N . 19910 1 620 . 1 1 97 97 SER H H 1 8.350 0.02 . 1 . . . A 60 SER H . 19910 1 621 . 1 1 97 97 SER HA H 1 4.536 0.02 . 1 . . . A 60 SER HA . 19910 1 622 . 1 1 97 97 SER HB2 H 1 3.916 0.02 . 1 . . . A 60 SER HB2 . 19910 1 623 . 1 1 97 97 SER HB3 H 1 4.065 0.02 . 1 . . . A 60 SER HB3 . 19910 1 624 . 1 1 97 97 SER C C 13 174.140 0.30 . 1 . . . A 60 SER C . 19910 1 625 . 1 1 97 97 SER CA C 13 58.810 0.30 . 1 . . . A 60 SER CA . 19910 1 626 . 1 1 97 97 SER CB C 13 64.140 0.30 . 1 . . . A 60 SER CB . 19910 1 627 . 1 1 97 97 SER N N 15 115.430 0.30 . 1 . . . A 60 SER N . 19910 1 628 . 1 1 98 98 GLU H H 1 8.910 0.02 . 1 . . . A 61 GLU H . 19910 1 629 . 1 1 98 98 GLU HA H 1 4.525 0.02 . 1 . . . A 61 GLU HA . 19910 1 630 . 1 1 98 98 GLU HB2 H 1 2.009 0.02 . 1 . . . A 61 GLU HB2 . 19910 1 631 . 1 1 98 98 GLU HB3 H 1 2.234 0.02 . 1 . . . A 61 GLU HB3 . 19910 1 632 . 1 1 98 98 GLU C C 13 175.550 0.30 . 1 . . . A 61 GLU C . 19910 1 633 . 1 1 98 98 GLU CA C 13 56.520 0.30 . 1 . . . A 61 GLU CA . 19910 1 634 . 1 1 98 98 GLU CB C 13 29.530 0.30 . 1 . . . A 61 GLU CB . 19910 1 635 . 1 1 98 98 GLU CG C 13 35.513 0.30 . 1 . . . A 61 GLU CG . 19910 1 636 . 1 1 98 98 GLU N N 15 122.950 0.30 . 1 . . . A 61 GLU N . 19910 1 637 . 1 1 99 99 GLN H H 1 8.310 0.02 . 1 . . . A 62 GLN H . 19910 1 638 . 1 1 99 99 GLN HA H 1 4.601 0.02 . 1 . . . A 62 GLN HA . 19910 1 639 . 1 1 99 99 GLN HB2 H 1 1.918 0.02 . 1 . . . A 62 GLN HB2 . 19910 1 640 . 1 1 99 99 GLN HB3 H 1 2.129 0.02 . 1 . . . A 62 GLN HB3 . 19910 1 641 . 1 1 99 99 GLN HG2 H 1 2.320 0.02 . 1 . . . A 62 GLN HG2 . 19910 1 642 . 1 1 99 99 GLN HG3 H 1 2.320 0.02 . 1 . . . A 62 GLN HG3 . 19910 1 643 . 1 1 99 99 GLN C C 13 175.700 0.30 . 1 . . . A 62 GLN C . 19910 1 644 . 1 1 99 99 GLN CA C 13 55.430 0.30 . 1 . . . A 62 GLN CA . 19910 1 645 . 1 1 99 99 GLN CB C 13 31.340 0.30 . 1 . . . A 62 GLN CB . 19910 1 646 . 1 1 99 99 GLN CG C 13 33.756 0.30 . 1 . . . A 62 GLN CG . 19910 1 647 . 1 1 99 99 GLN N N 15 120.280 0.30 . 1 . . . A 62 GLN N . 19910 1 648 . 1 1 100 100 GLY H H 1 8.880 0.02 . 1 . . . A 63 GLY H . 19910 1 649 . 1 1 100 100 GLY HA2 H 1 3.627 0.02 . 1 . . . A 63 GLY HA2 . 19910 1 650 . 1 1 100 100 GLY HA3 H 1 4.454 0.02 . 1 . . . A 63 GLY HA3 . 19910 1 651 . 1 1 100 100 GLY C C 13 172.550 0.30 . 1 . . . A 63 GLY C . 19910 1 652 . 1 1 100 100 GLY CA C 13 44.690 0.30 . 1 . . . A 63 GLY CA . 19910 1 653 . 1 1 100 100 GLY N N 15 111.400 0.30 . 1 . . . A 63 GLY N . 19910 1 654 . 1 1 101 101 SER H H 1 8.280 0.02 . 1 . . . A 64 SER H . 19910 1 655 . 1 1 101 101 SER HA H 1 4.629 0.02 . 1 . . . A 64 SER HA . 19910 1 656 . 1 1 101 101 SER HB2 H 1 3.602 0.02 . 1 . . . A 64 SER HB2 . 19910 1 657 . 1 1 101 101 SER HB3 H 1 3.602 0.02 . 1 . . . A 64 SER HB3 . 19910 1 658 . 1 1 101 101 SER C C 13 171.770 0.30 . 1 . . . A 64 SER C . 19910 1 659 . 1 1 101 101 SER CA C 13 57.120 0.30 . 1 . . . A 64 SER CA . 19910 1 660 . 1 1 101 101 SER CB C 13 65.230 0.30 . 1 . . . A 64 SER CB . 19910 1 661 . 1 1 101 101 SER N N 15 115.080 0.30 . 1 . . . A 64 SER N . 19910 1 662 . 1 1 102 102 TYR H H 1 8.980 0.02 . 1 . . . A 65 TYR H . 19910 1 663 . 1 1 102 102 TYR HA H 1 5.198 0.02 . 1 . . . A 65 TYR HA . 19910 1 664 . 1 1 102 102 TYR HB2 H 1 2.925 0.02 . 1 . . . A 65 TYR HB2 . 19910 1 665 . 1 1 102 102 TYR HB3 H 1 2.925 0.02 . 1 . . . A 65 TYR HB3 . 19910 1 666 . 1 1 102 102 TYR HE1 H 1 6.848 0.02 . 1 . . . A 65 TYR HE1 . 19910 1 667 . 1 1 102 102 TYR HE2 H 1 6.848 0.02 . 1 . . . A 65 TYR HE2 . 19910 1 668 . 1 1 102 102 TYR C C 13 173.640 0.30 . 1 . . . A 65 TYR C . 19910 1 669 . 1 1 102 102 TYR CA C 13 55.670 0.30 . 1 . . . A 65 TYR CA . 19910 1 670 . 1 1 102 102 TYR CB C 13 40.900 0.30 . 1 . . . A 65 TYR CB . 19910 1 671 . 1 1 102 102 TYR CE1 C 13 118.199 0.30 . 1 . . . A 65 TYR CE1 . 19910 1 672 . 1 1 102 102 TYR CE2 C 13 118.199 0.30 . 1 . . . A 65 TYR CE2 . 19910 1 673 . 1 1 102 102 TYR N N 15 124.640 0.30 . 1 . . . A 65 TYR N . 19910 1 674 . 1 1 103 103 ASP H H 1 8.000 0.02 . 1 . . . A 66 ASP H . 19910 1 675 . 1 1 103 103 ASP HA H 1 4.532 0.02 . 1 . . . A 66 ASP HA . 19910 1 676 . 1 1 103 103 ASP HB2 H 1 2.281 0.02 . 1 . . . A 66 ASP HB2 . 19910 1 677 . 1 1 103 103 ASP HB3 H 1 2.644 0.02 . 1 . . . A 66 ASP HB3 . 19910 1 678 . 1 1 103 103 ASP C C 13 175.340 0.30 . 1 . . . A 66 ASP C . 19910 1 679 . 1 1 103 103 ASP CA C 13 51.800 0.30 . 1 . . . A 66 ASP CA . 19910 1 680 . 1 1 103 103 ASP CB C 13 41.510 0.30 . 1 . . . A 66 ASP CB . 19910 1 681 . 1 1 103 103 ASP N N 15 128.570 0.30 . 1 . . . A 66 ASP N . 19910 1 682 . 1 1 104 104 ALA H H 1 8.460 0.02 . 1 . . . A 67 ALA H . 19910 1 683 . 1 1 104 104 ALA HA H 1 3.597 0.02 . 1 . . . A 67 ALA HA . 19910 1 684 . 1 1 104 104 ALA HB1 H 1 1.334 0.02 . 1 . . . A 67 ALA HB1 . 19910 1 685 . 1 1 104 104 ALA HB2 H 1 1.334 0.02 . 1 . . . A 67 ALA HB2 . 19910 1 686 . 1 1 104 104 ALA HB3 H 1 1.334 0.02 . 1 . . . A 67 ALA HB3 . 19910 1 687 . 1 1 104 104 ALA C C 13 178.770 0.30 . 1 . . . A 67 ALA C . 19910 1 688 . 1 1 104 104 ALA CA C 13 53.850 0.30 . 1 . . . A 67 ALA CA . 19910 1 689 . 1 1 104 104 ALA CB C 13 18.640 0.30 . 1 . . . A 67 ALA CB . 19910 1 690 . 1 1 104 104 ALA N N 15 127.520 0.30 . 1 . . . A 67 ALA N . 19910 1 691 . 1 1 105 105 ASP H H 1 7.980 0.02 . 1 . . . A 68 ASP H . 19910 1 692 . 1 1 105 105 ASP HA H 1 4.340 0.02 . 1 . . . A 68 ASP HA . 19910 1 693 . 1 1 105 105 ASP HB2 H 1 2.615 0.02 . 1 . . . A 68 ASP HB2 . 19910 1 694 . 1 1 105 105 ASP HB3 H 1 2.615 0.02 . 1 . . . A 68 ASP HB3 . 19910 1 695 . 1 1 105 105 ASP C C 13 177.780 0.30 . 1 . . . A 68 ASP C . 19910 1 696 . 1 1 105 105 ASP CA C 13 56.760 0.30 . 1 . . . A 68 ASP CA . 19910 1 697 . 1 1 105 105 ASP CB C 13 40.900 0.30 . 1 . . . A 68 ASP CB . 19910 1 698 . 1 1 105 105 ASP N N 15 117.850 0.30 . 1 . . . A 68 ASP N . 19910 1 699 . 1 1 106 106 LYS H H 1 7.390 0.02 . 1 . . . A 69 LYS H . 19910 1 700 . 1 1 106 106 LYS HA H 1 4.119 0.02 . 1 . . . A 69 LYS HA . 19910 1 701 . 1 1 106 106 LYS HB2 H 1 1.157 0.02 . 1 . . . A 69 LYS HB2 . 19910 1 702 . 1 1 106 106 LYS HB3 H 1 1.632 0.02 . 1 . . . A 69 LYS HB3 . 19910 1 703 . 1 1 106 106 LYS HE2 H 1 2.833 0.02 . 1 . . . A 69 LYS HE2 . 19910 1 704 . 1 1 106 106 LYS HE3 H 1 2.833 0.02 . 1 . . . A 69 LYS HE3 . 19910 1 705 . 1 1 106 106 LYS C C 13 177.130 0.30 . 1 . . . A 69 LYS C . 19910 1 706 . 1 1 106 106 LYS CA C 13 56.150 0.30 . 1 . . . A 69 LYS CA . 19910 1 707 . 1 1 106 106 LYS CB C 13 34.010 0.30 . 1 . . . A 69 LYS CB . 19910 1 708 . 1 1 106 106 LYS CE C 13 41.714 0.30 . 1 . . . A 69 LYS CE . 19910 1 709 . 1 1 106 106 LYS N N 15 115.790 0.30 . 1 . . . A 69 LYS N . 19910 1 710 . 1 1 107 107 GLY H H 1 8.030 0.02 . 1 . . . A 70 GLY H . 19910 1 711 . 1 1 107 107 GLY HA2 H 1 3.782 0.02 . 1 . . . A 70 GLY HA2 . 19910 1 712 . 1 1 107 107 GLY HA3 H 1 3.782 0.02 . 1 . . . A 70 GLY HA3 . 19910 1 713 . 1 1 107 107 GLY C C 13 174.040 0.30 . 1 . . . A 70 GLY C . 19910 1 714 . 1 1 107 107 GLY CA C 13 46.830 0.30 . 1 . . . A 70 GLY CA . 19910 1 715 . 1 1 107 107 GLY N N 15 110.040 0.30 . 1 . . . A 70 GLY N . 19910 1 716 . 1 1 108 108 ILE H H 1 6.990 0.02 . 1 . . . A 71 ILE H . 19910 1 717 . 1 1 108 108 ILE HA H 1 4.861 0.02 . 1 . . . A 71 ILE HA . 19910 1 718 . 1 1 108 108 ILE HB H 1 1.350 0.02 . 1 . . . A 71 ILE HB . 19910 1 719 . 1 1 108 108 ILE HD11 H 1 0.604 0.02 . 1 . . . A 71 ILE HD11 . 19910 1 720 . 1 1 108 108 ILE HD12 H 1 0.604 0.02 . 1 . . . A 71 ILE HD12 . 19910 1 721 . 1 1 108 108 ILE HD13 H 1 0.604 0.02 . 1 . . . A 71 ILE HD13 . 19910 1 722 . 1 1 108 108 ILE C C 13 175.520 0.30 . 1 . . . A 71 ILE C . 19910 1 723 . 1 1 108 108 ILE CA C 13 59.420 0.30 . 1 . . . A 71 ILE CA . 19910 1 724 . 1 1 108 108 ILE CB C 13 42.240 0.30 . 1 . . . A 71 ILE CB . 19910 1 725 . 1 1 108 108 ILE CG2 C 13 17.152 0.30 . 1 . . . A 71 ILE CG2 . 19910 1 726 . 1 1 108 108 ILE CD1 C 13 12.463 0.30 . 1 . . . A 71 ILE CD1 . 19910 1 727 . 1 1 108 108 ILE N N 15 115.810 0.30 . 1 . . . A 71 ILE N . 19910 1 728 . 1 1 109 109 PHE H H 1 9.720 0.02 . 1 . . . A 72 PHE H . 19910 1 729 . 1 1 109 109 PHE HA H 1 5.377 0.02 . 1 . . . A 72 PHE HA . 19910 1 730 . 1 1 109 109 PHE HB2 H 1 2.656 0.02 . 1 . . . A 72 PHE HB2 . 19910 1 731 . 1 1 109 109 PHE HB3 H 1 2.656 0.02 . 1 . . . A 72 PHE HB3 . 19910 1 732 . 1 1 109 109 PHE HD1 H 1 6.974 0.02 . 1 . . . A 72 PHE HD1 . 19910 1 733 . 1 1 109 109 PHE HD2 H 1 6.974 0.02 . 1 . . . A 72 PHE HD2 . 19910 1 734 . 1 1 109 109 PHE HE1 H 1 6.675 0.02 . 1 . . . A 72 PHE HE1 . 19910 1 735 . 1 1 109 109 PHE HE2 H 1 6.675 0.02 . 1 . . . A 72 PHE HE2 . 19910 1 736 . 1 1 109 109 PHE C C 13 173.310 0.30 . 1 . . . A 72 PHE C . 19910 1 737 . 1 1 109 109 PHE CA C 13 56.150 0.30 . 1 . . . A 72 PHE CA . 19910 1 738 . 1 1 109 109 PHE CB C 13 41.630 0.30 . 1 . . . A 72 PHE CB . 19910 1 739 . 1 1 109 109 PHE N N 15 132.630 0.30 . 1 . . . A 72 PHE N . 19910 1 740 . 1 1 110 110 THR H H 1 8.610 0.02 . 1 . . . A 73 THR H . 19910 1 741 . 1 1 110 110 THR HA H 1 5.047 0.02 . 1 . . . A 73 THR HA . 19910 1 742 . 1 1 110 110 THR HB H 1 3.545 0.02 . 1 . . . A 73 THR HB . 19910 1 743 . 1 1 110 110 THR C C 13 172.660 0.30 . 1 . . . A 73 THR C . 19910 1 744 . 1 1 110 110 THR CA C 13 61.480 0.30 . 1 . . . A 73 THR CA . 19910 1 745 . 1 1 110 110 THR CB C 13 69.950 0.30 . 1 . . . A 73 THR CB . 19910 1 746 . 1 1 110 110 THR CG2 C 13 21.255 0.30 . 1 . . . A 73 THR CG2 . 19910 1 747 . 1 1 110 110 THR N N 15 124.190 0.30 . 1 . . . A 73 THR N . 19910 1 748 . 1 1 111 111 ILE H H 1 8.850 0.02 . 1 . . . A 74 ILE H . 19910 1 749 . 1 1 111 111 ILE HA H 1 4.557 0.02 . 1 . . . A 74 ILE HA . 19910 1 750 . 1 1 111 111 ILE HB H 1 1.505 0.02 . 1 . . . A 74 ILE HB . 19910 1 751 . 1 1 111 111 ILE HD11 H 1 0.981 0.02 . 1 . . . A 74 ILE HD11 . 19910 1 752 . 1 1 111 111 ILE HD12 H 1 0.981 0.02 . 1 . . . A 74 ILE HD12 . 19910 1 753 . 1 1 111 111 ILE HD13 H 1 0.981 0.02 . 1 . . . A 74 ILE HD13 . 19910 1 754 . 1 1 111 111 ILE C C 13 171.480 0.30 . 1 . . . A 74 ILE C . 19910 1 755 . 1 1 111 111 ILE CA C 13 59.060 0.30 . 1 . . . A 74 ILE CA . 19910 1 756 . 1 1 111 111 ILE CB C 13 41.510 0.30 . 1 . . . A 74 ILE CB . 19910 1 757 . 1 1 111 111 ILE CG1 C 13 27.702 0.30 . 1 . . . A 74 ILE CG1 . 19910 1 758 . 1 1 111 111 ILE CG2 C 13 14.808 0.30 . 1 . . . A 74 ILE CG2 . 19910 1 759 . 1 1 111 111 ILE CD1 C 13 16.566 0.30 . 1 . . . A 74 ILE CD1 . 19910 1 760 . 1 1 111 111 ILE N N 15 125.780 0.30 . 1 . . . A 74 ILE N . 19910 1 761 . 1 1 112 112 ARG H H 1 8.320 0.02 . 1 . . . A 75 ARG H . 19910 1 762 . 1 1 112 112 ARG HA H 1 4.859 0.02 . 1 . . . A 75 ARG HA . 19910 1 763 . 1 1 112 112 ARG HB2 H 1 1.220 0.02 . 1 . . . A 75 ARG HB2 . 19910 1 764 . 1 1 112 112 ARG HB3 H 1 1.220 0.02 . 1 . . . A 75 ARG HB3 . 19910 1 765 . 1 1 112 112 ARG HG2 H 1 1.293 0.02 . 1 . . . A 75 ARG HG2 . 19910 1 766 . 1 1 112 112 ARG HG3 H 1 1.565 0.02 . 1 . . . A 75 ARG HG3 . 19910 1 767 . 1 1 112 112 ARG C C 13 174.790 0.30 . 1 . . . A 75 ARG C . 19910 1 768 . 1 1 112 112 ARG CA C 13 54.460 0.30 . 1 . . . A 75 ARG CA . 19910 1 769 . 1 1 112 112 ARG CB C 13 31.460 0.30 . 1 . . . A 75 ARG CB . 19910 1 770 . 1 1 112 112 ARG CD C 13 43.130 0.30 . 1 . . . A 75 ARG CD . 19910 1 771 . 1 1 112 112 ARG N N 15 127.330 0.30 . 1 . . . A 75 ARG N . 19910 1 772 . 1 1 113 113 LEU H H 1 9.300 0.02 . 1 . . . A 76 LEU H . 19910 1 773 . 1 1 113 113 LEU HA H 1 4.819 0.02 . 1 . . . A 76 LEU HA . 19910 1 774 . 1 1 113 113 LEU HB2 H 1 1.650 0.02 . 1 . . . A 76 LEU HB2 . 19910 1 775 . 1 1 113 113 LEU HB3 H 1 1.650 0.02 . 1 . . . A 76 LEU HB3 . 19910 1 776 . 1 1 113 113 LEU HG H 1 1.189 0.02 . 1 . . . A 76 LEU HG . 19910 1 777 . 1 1 113 113 LEU HD11 H 1 0.346 0.02 . 1 . . . A 76 LEU HD11 . 19910 1 778 . 1 1 113 113 LEU HD12 H 1 0.346 0.02 . 1 . . . A 76 LEU HD12 . 19910 1 779 . 1 1 113 113 LEU HD13 H 1 0.346 0.02 . 1 . . . A 76 LEU HD13 . 19910 1 780 . 1 1 113 113 LEU HD21 H 1 0.346 0.02 . 1 . . . A 76 LEU HD21 . 19910 1 781 . 1 1 113 113 LEU HD22 H 1 0.346 0.02 . 1 . . . A 76 LEU HD22 . 19910 1 782 . 1 1 113 113 LEU HD23 H 1 0.346 0.02 . 1 . . . A 76 LEU HD23 . 19910 1 783 . 1 1 113 113 LEU CA C 13 50.530 0.30 . 1 . . . A 76 LEU CA . 19910 1 784 . 1 1 113 113 LEU CB C 13 43.070 0.30 . 1 . . . A 76 LEU CB . 19910 1 785 . 1 1 113 113 LEU CG C 13 25.943 0.30 . 1 . . . A 76 LEU CG . 19910 1 786 . 1 1 113 113 LEU CD1 C 13 23.010 0.30 . 1 . . . A 76 LEU CD1 . 19910 1 787 . 1 1 113 113 LEU CD2 C 13 23.010 0.30 . 1 . . . A 76 LEU CD2 . 19910 1 788 . 1 1 113 113 LEU N N 15 125.120 0.30 . 1 . . . A 76 LEU N . 19910 1 789 . 1 1 114 114 PRO HA H 1 4.114 0.02 . 1 . . . A 77 PRO HA . 19910 1 790 . 1 1 114 114 PRO HB2 H 1 1.907 0.02 . 1 . . . A 77 PRO HB2 . 19910 1 791 . 1 1 114 114 PRO HB3 H 1 1.907 0.02 . 1 . . . A 77 PRO HB3 . 19910 1 792 . 1 1 114 114 PRO HD2 H 1 2.421 0.02 . 1 . . . A 77 PRO HD2 . 19910 1 793 . 1 1 114 114 PRO HD3 H 1 2.421 0.02 . 1 . . . A 77 PRO HD3 . 19910 1 794 . 1 1 114 114 PRO C C 13 176.430 0.30 . 1 . . . A 77 PRO C . 19910 1 795 . 1 1 114 114 PRO CA C 13 62.080 0.30 . 1 . . . A 77 PRO CA . 19910 1 796 . 1 1 114 114 PRO CB C 13 31.220 0.30 . 1 . . . A 77 PRO CB . 19910 1 797 . 1 1 115 115 LYS H H 1 7.790 0.02 . 1 . . . A 78 LYS H . 19910 1 798 . 1 1 115 115 LYS HA H 1 4.062 0.02 . 1 . . . A 78 LYS HA . 19910 1 799 . 1 1 115 115 LYS HB2 H 1 1.761 0.02 . 1 . . . A 78 LYS HB2 . 19910 1 800 . 1 1 115 115 LYS HB3 H 1 1.761 0.02 . 1 . . . A 78 LYS HB3 . 19910 1 801 . 1 1 115 115 LYS HG2 H 1 1.734 0.02 . 1 . . . A 78 LYS HG2 . 19910 1 802 . 1 1 115 115 LYS HG3 H 1 1.734 0.02 . 1 . . . A 78 LYS HG3 . 19910 1 803 . 1 1 115 115 LYS C C 13 176.590 0.30 . 1 . . . A 78 LYS C . 19910 1 804 . 1 1 115 115 LYS CA C 13 57.730 0.30 . 1 . . . A 78 LYS CA . 19910 1 805 . 1 1 115 115 LYS CB C 13 32.800 0.30 . 1 . . . A 78 LYS CB . 19910 1 806 . 1 1 115 115 LYS CG C 13 17.629 0.30 . 1 . . . A 78 LYS CG . 19910 1 807 . 1 1 115 115 LYS CE C 13 38.741 0.30 . 1 . . . A 78 LYS CE . 19910 1 808 . 1 1 115 115 LYS N N 15 122.800 0.30 . 1 . . . A 78 LYS N . 19910 1 809 . 1 1 116 116 GLU H H 1 8.520 0.02 . 1 . . . A 79 GLU H . 19910 1 810 . 1 1 116 116 GLU HA H 1 3.689 0.02 . 1 . . . A 79 GLU HA . 19910 1 811 . 1 1 116 116 GLU HB2 H 1 1.474 0.02 . 1 . . . A 79 GLU HB2 . 19910 1 812 . 1 1 116 116 GLU HB3 H 1 1.906 0.02 . 1 . . . A 79 GLU HB3 . 19910 1 813 . 1 1 116 116 GLU HG2 H 1 2.070 0.02 . 1 . . . A 79 GLU HG2 . 19910 1 814 . 1 1 116 116 GLU C C 13 176.300 0.30 . 1 . . . A 79 GLU C . 19910 1 815 . 1 1 116 116 GLU CA C 13 59.420 0.30 . 1 . . . A 79 GLU CA . 19910 1 816 . 1 1 116 116 GLU CB C 13 30.500 0.30 . 1 . . . A 79 GLU CB . 19910 1 817 . 1 1 116 116 GLU N N 15 124.540 0.30 . 1 . . . A 79 GLU N . 19910 1 818 . 1 1 117 117 THR H H 1 9.070 0.02 . 1 . . . A 80 THR H . 19910 1 819 . 1 1 117 117 THR HA H 1 4.485 0.02 . 1 . . . A 80 THR HA . 19910 1 820 . 1 1 117 117 THR HB H 1 3.982 0.02 . 1 . . . A 80 THR HB . 19910 1 821 . 1 1 117 117 THR CA C 13 59.120 0.30 . 1 . . . A 80 THR CA . 19910 1 822 . 1 1 117 117 THR CB C 13 69.330 0.30 . 1 . . . A 80 THR CB . 19910 1 823 . 1 1 117 117 THR CG2 C 13 22.427 0.30 . 1 . . . A 80 THR CG2 . 19910 1 824 . 1 1 117 117 THR N N 15 115.960 0.30 . 1 . . . A 80 THR N . 19910 1 825 . 1 1 118 118 PRO HA H 1 4.070 0.02 . 1 . . . A 81 PRO HA . 19910 1 826 . 1 1 118 118 PRO HB2 H 1 1.626 0.02 . 1 . . . A 81 PRO HB2 . 19910 1 827 . 1 1 118 118 PRO HB3 H 1 2.347 0.02 . 1 . . . A 81 PRO HB3 . 19910 1 828 . 1 1 118 118 PRO HG2 H 1 1.938 0.02 . 1 . . . A 81 PRO HG2 . 19910 1 829 . 1 1 118 118 PRO HG3 H 1 1.938 0.02 . 1 . . . A 81 PRO HG3 . 19910 1 830 . 1 1 118 118 PRO C C 13 177.860 0.30 . 1 . . . A 81 PRO C . 19910 1 831 . 1 1 118 118 PRO CA C 13 63.900 0.30 . 1 . . . A 81 PRO CA . 19910 1 832 . 1 1 118 118 PRO CB C 13 31.460 0.30 . 1 . . . A 81 PRO CB . 19910 1 833 . 1 1 119 119 GLY H H 1 9.150 0.02 . 1 . . . A 82 GLY H . 19910 1 834 . 1 1 119 119 GLY HA2 H 1 4.189 0.02 . 1 . . . A 82 GLY HA2 . 19910 1 835 . 1 1 119 119 GLY HA3 H 1 3.354 0.02 . 1 . . . A 82 GLY HA3 . 19910 1 836 . 1 1 119 119 GLY C C 13 174.870 0.30 . 1 . . . A 82 GLY C . 19910 1 837 . 1 1 119 119 GLY CA C 13 45.140 0.30 . 1 . . . A 82 GLY CA . 19910 1 838 . 1 1 119 119 GLY N N 15 113.580 0.30 . 1 . . . A 82 GLY N . 19910 1 839 . 1 1 120 120 GLN H H 1 7.960 0.02 . 1 . . . A 83 GLN H . 19910 1 840 . 1 1 120 120 GLN HA H 1 4.159 0.02 . 1 . . . A 83 GLN HA . 19910 1 841 . 1 1 120 120 GLN HB2 H 1 1.903 0.02 . 1 . . . A 83 GLN HB2 . 19910 1 842 . 1 1 120 120 GLN HB3 H 1 2.280 0.02 . 1 . . . A 83 GLN HB3 . 19910 1 843 . 1 1 120 120 GLN HG2 H 1 1.840 0.02 . 1 . . . A 83 GLN HG2 . 19910 1 844 . 1 1 120 120 GLN HG3 H 1 1.210 0.02 . 1 . . . A 83 GLN HG3 . 19910 1 845 . 1 1 120 120 GLN C C 13 175.180 0.30 . 1 . . . A 83 GLN C . 19910 1 846 . 1 1 120 120 GLN CA C 13 56.390 0.30 . 1 . . . A 83 GLN CA . 19910 1 847 . 1 1 120 120 GLN CB C 13 29.410 0.30 . 1 . . . A 83 GLN CB . 19910 1 848 . 1 1 120 120 GLN CG C 13 33.930 0.30 . 1 . . . A 83 GLN CG . 19910 1 849 . 1 1 120 120 GLN N N 15 122.820 0.30 . 1 . . . A 83 GLN N . 19910 1 850 . 1 1 121 121 HIS H H 1 9.220 0.02 . 1 . . . A 84 HIS H . 19910 1 851 . 1 1 121 121 HIS HA H 1 4.299 0.02 . 1 . . . A 84 HIS HA . 19910 1 852 . 1 1 121 121 HIS HB2 H 1 2.840 0.02 . 1 . . . A 84 HIS HB2 . 19910 1 853 . 1 1 121 121 HIS HB3 H 1 3.034 0.02 . 1 . . . A 84 HIS HB3 . 19910 1 854 . 1 1 121 121 HIS HD2 H 1 7.748 0.02 . 1 . . . A 84 HIS HD2 . 19910 1 855 . 1 1 121 121 HIS HE1 H 1 7.594 0.02 . 1 . . . A 84 HIS HE1 . 19910 1 856 . 1 1 121 121 HIS C C 13 175.300 0.30 . 1 . . . A 84 HIS C . 19910 1 857 . 1 1 121 121 HIS CA C 13 56.640 0.30 . 1 . . . A 84 HIS CA . 19910 1 858 . 1 1 121 121 HIS CB C 13 30.980 0.30 . 1 . . . A 84 HIS CB . 19910 1 859 . 1 1 121 121 HIS CD2 C 13 138.500 0.30 . 1 . . . A 84 HIS CD2 . 19910 1 860 . 1 1 121 121 HIS CE1 C 13 138.970 0.30 . 1 . . . A 84 HIS CE1 . 19910 1 861 . 1 1 121 121 HIS N N 15 131.340 0.30 . 1 . . . A 84 HIS N . 19910 1 862 . 1 1 122 122 PHE H H 1 9.130 0.02 . 1 . . . A 85 PHE H . 19910 1 863 . 1 1 122 122 PHE HA H 1 4.722 0.02 . 1 . . . A 85 PHE HA . 19910 1 864 . 1 1 122 122 PHE HB2 H 1 2.414 0.02 . 1 . . . A 85 PHE HB2 . 19910 1 865 . 1 1 122 122 PHE HB3 H 1 2.980 0.02 . 1 . . . A 85 PHE HB3 . 19910 1 866 . 1 1 122 122 PHE HD1 H 1 7.166 0.02 . 1 . . . A 85 PHE HD1 . 19910 1 867 . 1 1 122 122 PHE HD2 H 1 7.166 0.02 . 1 . . . A 85 PHE HD2 . 19910 1 868 . 1 1 122 122 PHE HE1 H 1 6.796 0.02 . 1 . . . A 85 PHE HE1 . 19910 1 869 . 1 1 122 122 PHE HE2 H 1 6.796 0.02 . 1 . . . A 85 PHE HE2 . 19910 1 870 . 1 1 122 122 PHE C C 13 174.890 0.30 . 1 . . . A 85 PHE C . 19910 1 871 . 1 1 122 122 PHE CA C 13 54.580 0.30 . 1 . . . A 85 PHE CA . 19910 1 872 . 1 1 122 122 PHE CB C 13 36.430 0.30 . 1 . . . A 85 PHE CB . 19910 1 873 . 1 1 122 122 PHE N N 15 130.320 0.30 . 1 . . . A 85 PHE N . 19910 1 874 . 1 1 123 123 GLU H H 1 8.900 0.02 . 1 . . . A 86 GLU H . 19910 1 875 . 1 1 123 123 GLU HA H 1 4.199 0.02 . 1 . . . A 86 GLU HA . 19910 1 876 . 1 1 123 123 GLU HB2 H 1 2.058 0.02 . 1 . . . A 86 GLU HB2 . 19910 1 877 . 1 1 123 123 GLU HB3 H 1 2.297 0.02 . 1 . . . A 86 GLU HB3 . 19910 1 878 . 1 1 123 123 GLU HG2 H 1 1.450 0.02 . 1 . . . A 86 GLU HG2 . 19910 1 879 . 1 1 123 123 GLU HG3 H 1 1.760 0.02 . 1 . . . A 86 GLU HG3 . 19910 1 880 . 1 1 123 123 GLU C C 13 177.000 0.30 . 1 . . . A 86 GLU C . 19910 1 881 . 1 1 123 123 GLU CA C 13 55.910 0.30 . 1 . . . A 86 GLU CA . 19910 1 882 . 1 1 123 123 GLU CB C 13 30.620 0.30 . 1 . . . A 86 GLU CB . 19910 1 883 . 1 1 123 123 GLU N N 15 126.010 0.30 . 1 . . . A 86 GLU N . 19910 1 884 . 1 1 124 124 GLY H H 1 8.610 0.02 . 1 . . . A 87 GLY H . 19910 1 885 . 1 1 124 124 GLY HA2 H 1 3.868 0.02 . 1 . . . A 87 GLY HA2 . 19910 1 886 . 1 1 124 124 GLY HA3 H 1 3.868 0.02 . 1 . . . A 87 GLY HA3 . 19910 1 887 . 1 1 124 124 GLY C C 13 177.370 0.30 . 1 . . . A 87 GLY C . 19910 1 888 . 1 1 124 124 GLY CA C 13 46.590 0.30 . 1 . . . A 87 GLY CA . 19910 1 889 . 1 1 124 124 GLY N N 15 108.540 0.30 . 1 . . . A 87 GLY N . 19910 1 890 . 1 1 125 125 LEU H H 1 8.370 0.02 . 1 . . . A 88 LEU H . 19910 1 891 . 1 1 125 125 LEU HA H 1 3.775 0.02 . 1 . . . A 88 LEU HA . 19910 1 892 . 1 1 125 125 LEU HB2 H 1 1.410 0.02 . 1 . . . A 88 LEU HB2 . 19910 1 893 . 1 1 125 125 LEU HB3 H 1 1.621 0.02 . 1 . . . A 88 LEU HB3 . 19910 1 894 . 1 1 125 125 LEU HG H 1 1.600 0.02 . 1 . . . A 88 LEU HG . 19910 1 895 . 1 1 125 125 LEU HD11 H 1 0.652 0.02 . 1 . . . A 88 LEU HD11 . 19910 1 896 . 1 1 125 125 LEU HD12 H 1 0.652 0.02 . 1 . . . A 88 LEU HD12 . 19910 1 897 . 1 1 125 125 LEU HD13 H 1 0.652 0.02 . 1 . . . A 88 LEU HD13 . 19910 1 898 . 1 1 125 125 LEU HD21 H 1 0.652 0.02 . 1 . . . A 88 LEU HD21 . 19910 1 899 . 1 1 125 125 LEU HD22 H 1 0.652 0.02 . 1 . . . A 88 LEU HD22 . 19910 1 900 . 1 1 125 125 LEU HD23 H 1 0.652 0.02 . 1 . . . A 88 LEU HD23 . 19910 1 901 . 1 1 125 125 LEU C C 13 177.500 0.30 . 1 . . . A 88 LEU C . 19910 1 902 . 1 1 125 125 LEU CA C 13 57.850 0.30 . 1 . . . A 88 LEU CA . 19910 1 903 . 1 1 125 125 LEU CB C 13 40.780 0.30 . 1 . . . A 88 LEU CB . 19910 1 904 . 1 1 125 125 LEU CG C 13 25.854 0.30 . 1 . . . A 88 LEU CG . 19910 1 905 . 1 1 125 125 LEU CD1 C 13 23.326 0.30 . 1 . . . A 88 LEU CD1 . 19910 1 906 . 1 1 125 125 LEU CD2 C 13 23.326 0.30 . 1 . . . A 88 LEU CD2 . 19910 1 907 . 1 1 125 125 LEU N N 15 119.830 0.30 . 1 . . . A 88 LEU N . 19910 1 908 . 1 1 126 126 ASN H H 1 8.470 0.02 . 1 . . . A 89 ASN H . 19910 1 909 . 1 1 126 126 ASN HA H 1 4.524 0.02 . 1 . . . A 89 ASN HA . 19910 1 910 . 1 1 126 126 ASN HB2 H 1 2.833 0.02 . 1 . . . A 89 ASN HB2 . 19910 1 911 . 1 1 126 126 ASN HB3 H 1 2.833 0.02 . 1 . . . A 89 ASN HB3 . 19910 1 912 . 1 1 126 126 ASN C C 13 175.440 0.30 . 1 . . . A 89 ASN C . 19910 1 913 . 1 1 126 126 ASN CA C 13 54.340 0.30 . 1 . . . A 89 ASN CA . 19910 1 914 . 1 1 126 126 ASN CB C 13 37.030 0.30 . 1 . . . A 89 ASN CB . 19910 1 915 . 1 1 126 126 ASN N N 15 112.390 0.30 . 1 . . . A 89 ASN N . 19910 1 916 . 1 1 127 127 MET H H 1 7.460 0.02 . 1 . . . A 90 MET H . 19910 1 917 . 1 1 127 127 MET HA H 1 4.626 0.02 . 1 . . . A 90 MET HA . 19910 1 918 . 1 1 127 127 MET HB2 H 1 1.865 0.02 . 1 . . . A 90 MET HB2 . 19910 1 919 . 1 1 127 127 MET HB3 H 1 2.206 0.02 . 1 . . . A 90 MET HB3 . 19910 1 920 . 1 1 127 127 MET HG2 H 1 2.368 0.02 . 1 . . . A 90 MET HG2 . 19910 1 921 . 1 1 127 127 MET HG3 H 1 2.535 0.02 . 1 . . . A 90 MET HG3 . 19910 1 922 . 1 1 127 127 MET C C 13 176.040 0.30 . 1 . . . A 90 MET C . 19910 1 923 . 1 1 127 127 MET CA C 13 54.340 0.30 . 1 . . . A 90 MET CA . 19910 1 924 . 1 1 127 127 MET CB C 13 32.550 0.30 . 1 . . . A 90 MET CB . 19910 1 925 . 1 1 127 127 MET CG C 13 31.800 0.30 . 1 . . . A 90 MET CG . 19910 1 926 . 1 1 127 127 MET N N 15 117.460 0.30 . 1 . . . A 90 MET N . 19910 1 927 . 1 1 128 128 LEU H H 1 7.280 0.02 . 1 . . . A 91 LEU H . 19910 1 928 . 1 1 128 128 LEU HA H 1 4.277 0.02 . 1 . . . A 91 LEU HA . 19910 1 929 . 1 1 128 128 LEU HB2 H 1 1.642 0.02 . 1 . . . A 91 LEU HB2 . 19910 1 930 . 1 1 128 128 LEU HB3 H 1 1.642 0.02 . 1 . . . A 91 LEU HB3 . 19910 1 931 . 1 1 128 128 LEU HG H 1 1.891 0.02 . 1 . . . A 91 LEU HG . 19910 1 932 . 1 1 128 128 LEU HD11 H 1 0.952 0.02 . 1 . . . A 91 LEU HD11 . 19910 1 933 . 1 1 128 128 LEU HD12 H 1 0.952 0.02 . 1 . . . A 91 LEU HD12 . 19910 1 934 . 1 1 128 128 LEU HD13 H 1 0.952 0.02 . 1 . . . A 91 LEU HD13 . 19910 1 935 . 1 1 128 128 LEU HD21 H 1 0.894 0.02 . 1 . . . A 91 LEU HD21 . 19910 1 936 . 1 1 128 128 LEU HD22 H 1 0.894 0.02 . 1 . . . A 91 LEU HD22 . 19910 1 937 . 1 1 128 128 LEU HD23 H 1 0.894 0.02 . 1 . . . A 91 LEU HD23 . 19910 1 938 . 1 1 128 128 LEU C C 13 176.870 0.30 . 1 . . . A 91 LEU C . 19910 1 939 . 1 1 128 128 LEU CA C 13 56.390 0.30 . 1 . . . A 91 LEU CA . 19910 1 940 . 1 1 128 128 LEU CB C 13 42.480 0.30 . 1 . . . A 91 LEU CB . 19910 1 941 . 1 1 128 128 LEU CG C 13 27.241 0.30 . 1 . . . A 91 LEU CG . 19910 1 942 . 1 1 128 128 LEU CD1 C 13 25.899 0.30 . 1 . . . A 91 LEU CD1 . 19910 1 943 . 1 1 128 128 LEU CD2 C 13 24.633 0.30 . 1 . . . A 91 LEU CD2 . 19910 1 944 . 1 1 128 128 LEU N N 15 121.330 0.30 . 1 . . . A 91 LEU N . 19910 1 945 . 1 1 129 129 THR H H 1 8.110 0.02 . 1 . . . A 92 THR H . 19910 1 946 . 1 1 129 129 THR HA H 1 4.582 0.02 . 1 . . . A 92 THR HA . 19910 1 947 . 1 1 129 129 THR HB H 1 4.203 0.02 . 1 . . . A 92 THR HB . 19910 1 948 . 1 1 129 129 THR C C 13 173.180 0.30 . 1 . . . A 92 THR C . 19910 1 949 . 1 1 129 129 THR CA C 13 60.390 0.30 . 1 . . . A 92 THR CA . 19910 1 950 . 1 1 129 129 THR CB C 13 71.160 0.30 . 1 . . . A 92 THR CB . 19910 1 951 . 1 1 129 129 THR CG2 C 13 21.478 0.30 . 1 . . . A 92 THR CG2 . 19910 1 952 . 1 1 129 129 THR N N 15 113.970 0.30 . 1 . . . A 92 THR N . 19910 1 953 . 1 1 130 130 ALA H H 1 8.430 0.02 . 1 . . . A 93 ALA H . 19910 1 954 . 1 1 130 130 ALA HA H 1 4.245 0.02 . 1 . . . A 93 ALA HA . 19910 1 955 . 1 1 130 130 ALA HB1 H 1 1.501 0.02 . 1 . . . A 93 ALA HB1 . 19910 1 956 . 1 1 130 130 ALA HB2 H 1 1.501 0.02 . 1 . . . A 93 ALA HB2 . 19910 1 957 . 1 1 130 130 ALA HB3 H 1 1.501 0.02 . 1 . . . A 93 ALA HB3 . 19910 1 958 . 1 1 130 130 ALA C C 13 177.650 0.30 . 1 . . . A 93 ALA C . 19910 1 959 . 1 1 130 130 ALA CA C 13 52.640 0.30 . 1 . . . A 93 ALA CA . 19910 1 960 . 1 1 130 130 ALA CB C 13 19.670 0.30 . 1 . . . A 93 ALA CB . 19910 1 961 . 1 1 130 130 ALA N N 15 124.650 0.30 . 1 . . . A 93 ALA N . 19910 1 962 . 1 1 131 131 LEU H H 1 8.450 0.02 . 1 . . . A 94 LEU H . 19910 1 963 . 1 1 131 131 LEU HA H 1 4.450 0.02 . 1 . . . A 94 LEU HA . 19910 1 964 . 1 1 131 131 LEU HB2 H 1 1.541 0.02 . 1 . . . A 94 LEU HB2 . 19910 1 965 . 1 1 131 131 LEU HB3 H 1 1.541 0.02 . 1 . . . A 94 LEU HB3 . 19910 1 966 . 1 1 131 131 LEU HG H 1 1.619 0.02 . 1 . . . A 94 LEU HG . 19910 1 967 . 1 1 131 131 LEU HD11 H 1 0.875 0.02 . 1 . . . A 94 LEU HD11 . 19910 1 968 . 1 1 131 131 LEU HD12 H 1 0.875 0.02 . 1 . . . A 94 LEU HD12 . 19910 1 969 . 1 1 131 131 LEU HD13 H 1 0.875 0.02 . 1 . . . A 94 LEU HD13 . 19910 1 970 . 1 1 131 131 LEU HD21 H 1 0.835 0.02 . 1 . . . A 94 LEU HD21 . 19910 1 971 . 1 1 131 131 LEU HD22 H 1 0.835 0.02 . 1 . . . A 94 LEU HD22 . 19910 1 972 . 1 1 131 131 LEU HD23 H 1 0.835 0.02 . 1 . . . A 94 LEU HD23 . 19910 1 973 . 1 1 131 131 LEU C C 13 177.420 0.30 . 1 . . . A 94 LEU C . 19910 1 974 . 1 1 131 131 LEU CA C 13 54.940 0.30 . 1 . . . A 94 LEU CA . 19910 1 975 . 1 1 131 131 LEU CB C 13 42.480 0.30 . 1 . . . A 94 LEU CB . 19910 1 976 . 1 1 131 131 LEU CG C 13 27.014 0.30 . 1 . . . A 94 LEU CG . 19910 1 977 . 1 1 131 131 LEU CD1 C 13 25.188 0.30 . 1 . . . A 94 LEU CD1 . 19910 1 978 . 1 1 131 131 LEU CD2 C 13 23.488 0.30 . 1 . . . A 94 LEU CD2 . 19910 1 979 . 1 1 131 131 LEU N N 15 123.150 0.30 . 1 . . . A 94 LEU N . 19910 1 980 . 1 1 132 132 LEU H H 1 8.380 0.02 . 1 . . . A 95 LEU H . 19910 1 981 . 1 1 132 132 LEU HA H 1 4.409 0.02 . 1 . . . A 95 LEU HA . 19910 1 982 . 1 1 132 132 LEU HB2 H 1 1.622 0.02 . 1 . . . A 95 LEU HB2 . 19910 1 983 . 1 1 132 132 LEU HB3 H 1 1.622 0.02 . 1 . . . A 95 LEU HB3 . 19910 1 984 . 1 1 132 132 LEU HG H 1 1.687 0.02 . 1 . . . A 95 LEU HG . 19910 1 985 . 1 1 132 132 LEU HD11 H 1 0.935 0.02 . 1 . . . A 95 LEU HD11 . 19910 1 986 . 1 1 132 132 LEU HD12 H 1 0.935 0.02 . 1 . . . A 95 LEU HD12 . 19910 1 987 . 1 1 132 132 LEU HD13 H 1 0.935 0.02 . 1 . . . A 95 LEU HD13 . 19910 1 988 . 1 1 132 132 LEU HD21 H 1 0.888 0.02 . 1 . . . A 95 LEU HD21 . 19910 1 989 . 1 1 132 132 LEU HD22 H 1 0.888 0.02 . 1 . . . A 95 LEU HD22 . 19910 1 990 . 1 1 132 132 LEU HD23 H 1 0.888 0.02 . 1 . . . A 95 LEU HD23 . 19910 1 991 . 1 1 132 132 LEU C C 13 175.990 0.30 . 1 . . . A 95 LEU C . 19910 1 992 . 1 1 132 132 LEU CA C 13 55.060 0.30 . 1 . . . A 95 LEU CA . 19910 1 993 . 1 1 132 132 LEU CB C 13 42.360 0.30 . 1 . . . A 95 LEU CB . 19910 1 994 . 1 1 132 132 LEU CG C 13 26.996 0.30 . 1 . . . A 95 LEU CG . 19910 1 995 . 1 1 132 132 LEU CD1 C 13 25.212 0.30 . 1 . . . A 95 LEU CD1 . 19910 1 996 . 1 1 132 132 LEU CD2 C 13 23.180 0.30 . 1 . . . A 95 LEU CD2 . 19910 1 997 . 1 1 132 132 LEU N N 15 124.390 0.30 . 1 . . . A 95 LEU N . 19910 1 998 . 1 1 133 133 ALA H H 1 7.710 0.02 . 1 . . . A 96 ALA H . 19910 1 999 . 1 1 133 133 ALA HA H 1 3.989 0.02 . 1 . . . A 96 ALA HA . 19910 1 1000 . 1 1 133 133 ALA HB1 H 1 1.154 0.02 . 1 . . . A 96 ALA HB1 . 19910 1 1001 . 1 1 133 133 ALA HB2 H 1 1.154 0.02 . 1 . . . A 96 ALA HB2 . 19910 1 1002 . 1 1 133 133 ALA HB3 H 1 1.154 0.02 . 1 . . . A 96 ALA HB3 . 19910 1 1003 . 1 1 133 133 ALA CA C 13 53.730 0.30 . 1 . . . A 96 ALA CA . 19910 1 1004 . 1 1 133 133 ALA CB C 13 20.290 0.30 . 1 . . . A 96 ALA CB . 19910 1 1005 . 1 1 133 133 ALA N N 15 128.620 0.30 . 1 . . . A 96 ALA N . 19910 1 stop_ save_