data_16115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16115 _Entry.Title ; Solution Structure of an SH3-like Domain from p80-Coilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-10 _Entry.Accession_date 2009-01-10 _Entry.Last_release_date 2011-06-01 _Entry.Original_release_date 2011-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 15 STRUCTURES' _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 Logan Donaldson . . . 16115 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' . 16115 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SH3-KOW-CPH-Tudor fold' . 16115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 323 16115 '15N chemical shifts' 71 16115 '1H chemical shifts' 465 16115 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 . . 2011-06-01 2009-01-10 original author . 16115 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20875822 _Citation.Full_citation . _Citation.Title 'Solution structure of the carboxy-terminal Tudor domain from human Coilin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 584 _Citation.Journal_issue 20 _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 4351 _Citation.Page_last 4356 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Riya Shanbhag . . . 16115 1 2 Arwa Kurabi . . . 16115 1 3 Jamie Kwan . J. . 16115 1 4 Logan Donaldson . W. . 16115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16115 _Assembly.ID 1 _Assembly.Name p80-Coilin _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 coilin 1 $coilin A . yes native no no . . . 16115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_coilin _Entity.Sf_category entity _Entity.Sf_framecode coilin _Entity.Entry_ID 16115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name coilin _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 ; MGSSHHHHHHSSGLVPRGSH GSHMDYSLLPLLAAAPQVGE KIAFKLLELTSSYSPDVSDY KEGRILSHNPETQQVDIEIL SSLPALREPGKFDLVYHNEN GAEVVEYAVTQESKITVFWK ELIDPRLIIESPSNTSSTEP A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SH3-like C-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAE01330 . "unnamed protein product [Macaca fascicularis]" . . . . . 82.98 248 97.44 99.15 3.44e-74 . . . . 16115 1 2 no DBJ BAG36378 . "unnamed protein product [Homo sapiens]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 3 no GB AAA36412 . "p80-coilin, partial [Homo sapiens]" . . . . . 82.98 405 100.00 100.00 7.04e-75 . . . . 16115 1 4 no GB AAB81550 . "p80-coilin [Homo sapiens]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 5 no GB AAH10385 . "Coilin [Homo sapiens]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 6 no GB ABM83853 . "coilin [synthetic construct]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 7 no GB ABM87175 . "coilin [synthetic construct]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 8 no REF NP_004636 . "coilin [Homo sapiens]" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 9 no REF XP_002827396 . "PREDICTED: coilin [Pongo abelii]" . . . . . 82.98 576 99.15 100.00 6.45e-73 . . . . 16115 1 10 no REF XP_009431163 . "PREDICTED: coilin isoform X2 [Pan troglodytes]" . . . . . 69.50 547 97.96 98.98 3.29e-58 . . . . 16115 1 11 no REF XP_511900 . "PREDICTED: coilin isoform X1 [Pan troglodytes]" . . . . . 82.98 576 100.00 100.00 2.43e-73 . . . . 16115 1 12 no SP P38432 . "RecName: Full=Coilin; AltName: Full=p80-coilin" . . . . . 82.98 576 100.00 100.00 2.82e-73 . . . . 16115 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cajal body protein' 16115 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 -23 MET . 16115 1 2 -22 GLY . 16115 1 3 -21 SER . 16115 1 4 -20 SER . 16115 1 5 -19 HIS . 16115 1 6 -18 HIS . 16115 1 7 -17 HIS . 16115 1 8 -16 HIS . 16115 1 9 -15 HIS . 16115 1 10 -14 HIS . 16115 1 11 -13 SER . 16115 1 12 -12 SER . 16115 1 13 -11 GLY . 16115 1 14 -10 LEU . 16115 1 15 -9 VAL . 16115 1 16 -8 PRO . 16115 1 17 -7 ARG . 16115 1 18 -6 GLY . 16115 1 19 -5 SER . 16115 1 20 -4 HIS . 16115 1 21 -3 GLY . 16115 1 22 -2 SER . 16115 1 23 -1 HIS . 16115 1 24 0 MET . 16115 1 25 1 ASP . 16115 1 26 2 TYR . 16115 1 27 3 SER . 16115 1 28 4 LEU . 16115 1 29 5 LEU . 16115 1 30 6 PRO . 16115 1 31 7 LEU . 16115 1 32 8 LEU . 16115 1 33 9 ALA . 16115 1 34 10 ALA . 16115 1 35 11 ALA . 16115 1 36 12 PRO . 16115 1 37 13 GLN . 16115 1 38 14 VAL . 16115 1 39 15 GLY . 16115 1 40 16 GLU . 16115 1 41 17 LYS . 16115 1 42 18 ILE . 16115 1 43 19 ALA . 16115 1 44 20 PHE . 16115 1 45 21 LYS . 16115 1 46 22 LEU . 16115 1 47 23 LEU . 16115 1 48 24 GLU . 16115 1 49 25 LEU . 16115 1 50 26 THR . 16115 1 51 27 SER . 16115 1 52 28 SER . 16115 1 53 29 TYR . 16115 1 54 30 SER . 16115 1 55 31 PRO . 16115 1 56 32 ASP . 16115 1 57 33 VAL . 16115 1 58 34 SER . 16115 1 59 35 ASP . 16115 1 60 36 TYR . 16115 1 61 37 LYS . 16115 1 62 38 GLU . 16115 1 63 39 GLY . 16115 1 64 40 ARG . 16115 1 65 41 ILE . 16115 1 66 42 LEU . 16115 1 67 43 SER . 16115 1 68 44 HIS . 16115 1 69 45 ASN . 16115 1 70 46 PRO . 16115 1 71 47 GLU . 16115 1 72 48 THR . 16115 1 73 49 GLN . 16115 1 74 50 GLN . 16115 1 75 51 VAL . 16115 1 76 52 ASP . 16115 1 77 53 ILE . 16115 1 78 54 GLU . 16115 1 79 55 ILE . 16115 1 80 56 LEU . 16115 1 81 57 SER . 16115 1 82 58 SER . 16115 1 83 59 LEU . 16115 1 84 60 PRO . 16115 1 85 61 ALA . 16115 1 86 62 LEU . 16115 1 87 63 ARG . 16115 1 88 64 GLU . 16115 1 89 65 PRO . 16115 1 90 66 GLY . 16115 1 91 67 LYS . 16115 1 92 68 PHE . 16115 1 93 69 ASP . 16115 1 94 70 LEU . 16115 1 95 71 VAL . 16115 1 96 72 TYR . 16115 1 97 73 HIS . 16115 1 98 74 ASN . 16115 1 99 75 GLU . 16115 1 100 76 ASN . 16115 1 101 77 GLY . 16115 1 102 78 ALA . 16115 1 103 79 GLU . 16115 1 104 80 VAL . 16115 1 105 81 VAL . 16115 1 106 82 GLU . 16115 1 107 83 TYR . 16115 1 108 84 ALA . 16115 1 109 85 VAL . 16115 1 110 86 THR . 16115 1 111 87 GLN . 16115 1 112 88 GLU . 16115 1 113 89 SER . 16115 1 114 90 LYS . 16115 1 115 91 ILE . 16115 1 116 92 THR . 16115 1 117 93 VAL . 16115 1 118 94 PHE . 16115 1 119 95 TRP . 16115 1 120 96 LYS . 16115 1 121 97 GLU . 16115 1 122 98 LEU . 16115 1 123 99 ILE . 16115 1 124 100 ASP . 16115 1 125 101 PRO . 16115 1 126 102 ARG . 16115 1 127 103 LEU . 16115 1 128 104 ILE . 16115 1 129 105 ILE . 16115 1 130 106 GLU . 16115 1 131 107 SER . 16115 1 132 108 PRO . 16115 1 133 109 SER . 16115 1 134 110 ASN . 16115 1 135 111 THR . 16115 1 136 112 SER . 16115 1 137 113 SER . 16115 1 138 114 THR . 16115 1 139 115 GLU . 16115 1 140 116 PRO . 16115 1 141 117 ALA . 16115 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16115 1 . GLY 2 2 16115 1 . SER 3 3 16115 1 . SER 4 4 16115 1 . HIS 5 5 16115 1 . HIS 6 6 16115 1 . HIS 7 7 16115 1 . HIS 8 8 16115 1 . HIS 9 9 16115 1 . HIS 10 10 16115 1 . SER 11 11 16115 1 . SER 12 12 16115 1 . GLY 13 13 16115 1 . LEU 14 14 16115 1 . VAL 15 15 16115 1 . PRO 16 16 16115 1 . ARG 17 17 16115 1 . GLY 18 18 16115 1 . SER 19 19 16115 1 . HIS 20 20 16115 1 . GLY 21 21 16115 1 . SER 22 22 16115 1 . HIS 23 23 16115 1 . MET 24 24 16115 1 . ASP 25 25 16115 1 . TYR 26 26 16115 1 . SER 27 27 16115 1 . LEU 28 28 16115 1 . LEU 29 29 16115 1 . PRO 30 30 16115 1 . LEU 31 31 16115 1 . LEU 32 32 16115 1 . ALA 33 33 16115 1 . ALA 34 34 16115 1 . ALA 35 35 16115 1 . PRO 36 36 16115 1 . GLN 37 37 16115 1 . VAL 38 38 16115 1 . GLY 39 39 16115 1 . GLU 40 40 16115 1 . LYS 41 41 16115 1 . ILE 42 42 16115 1 . ALA 43 43 16115 1 . PHE 44 44 16115 1 . LYS 45 45 16115 1 . LEU 46 46 16115 1 . LEU 47 47 16115 1 . GLU 48 48 16115 1 . LEU 49 49 16115 1 . THR 50 50 16115 1 . SER 51 51 16115 1 . SER 52 52 16115 1 . TYR 53 53 16115 1 . SER 54 54 16115 1 . PRO 55 55 16115 1 . ASP 56 56 16115 1 . VAL 57 57 16115 1 . SER 58 58 16115 1 . ASP 59 59 16115 1 . TYR 60 60 16115 1 . LYS 61 61 16115 1 . GLU 62 62 16115 1 . GLY 63 63 16115 1 . ARG 64 64 16115 1 . ILE 65 65 16115 1 . LEU 66 66 16115 1 . SER 67 67 16115 1 . HIS 68 68 16115 1 . ASN 69 69 16115 1 . PRO 70 70 16115 1 . GLU 71 71 16115 1 . THR 72 72 16115 1 . GLN 73 73 16115 1 . GLN 74 74 16115 1 . VAL 75 75 16115 1 . ASP 76 76 16115 1 . ILE 77 77 16115 1 . GLU 78 78 16115 1 . ILE 79 79 16115 1 . LEU 80 80 16115 1 . SER 81 81 16115 1 . SER 82 82 16115 1 . LEU 83 83 16115 1 . PRO 84 84 16115 1 . ALA 85 85 16115 1 . LEU 86 86 16115 1 . ARG 87 87 16115 1 . GLU 88 88 16115 1 . PRO 89 89 16115 1 . GLY 90 90 16115 1 . LYS 91 91 16115 1 . PHE 92 92 16115 1 . ASP 93 93 16115 1 . LEU 94 94 16115 1 . VAL 95 95 16115 1 . TYR 96 96 16115 1 . HIS 97 97 16115 1 . ASN 98 98 16115 1 . GLU 99 99 16115 1 . ASN 100 100 16115 1 . GLY 101 101 16115 1 . ALA 102 102 16115 1 . GLU 103 103 16115 1 . VAL 104 104 16115 1 . VAL 105 105 16115 1 . GLU 106 106 16115 1 . TYR 107 107 16115 1 . ALA 108 108 16115 1 . VAL 109 109 16115 1 . THR 110 110 16115 1 . GLN 111 111 16115 1 . GLU 112 112 16115 1 . SER 113 113 16115 1 . LYS 114 114 16115 1 . ILE 115 115 16115 1 . THR 116 116 16115 1 . VAL 117 117 16115 1 . PHE 118 118 16115 1 . TRP 119 119 16115 1 . LYS 120 120 16115 1 . GLU 121 121 16115 1 . LEU 122 122 16115 1 . ILE 123 123 16115 1 . ASP 124 124 16115 1 . PRO 125 125 16115 1 . ARG 126 126 16115 1 . LEU 127 127 16115 1 . ILE 128 128 16115 1 . ILE 129 129 16115 1 . GLU 130 130 16115 1 . SER 131 131 16115 1 . PRO 132 132 16115 1 . SER 133 133 16115 1 . ASN 134 134 16115 1 . THR 135 135 16115 1 . SER 136 136 16115 1 . SER 137 137 16115 1 . THR 138 138 16115 1 . GLU 139 139 16115 1 . PRO 140 140 16115 1 . ALA 141 141 16115 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 16115 _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 $coilin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . coilin . . . . 16115 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 16115 _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 $coilin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28 . . . 'Nde/Xho restriction sites used' . . 16115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 16115 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16115 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16115 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16115 1 4 coilin 'natural abundance' . . 1 $coilin . . . . . . . . . . 16115 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16115 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16115 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16115 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16115 1 pH 7.8 . pH 16115 1 pressure 1 . atm 16115 1 temperature 298 . K 16115 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16115 _Software.ID 1 _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' . . 16115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16115 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16115 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16115 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16115 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16115 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16115 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16115 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16115 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16115 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral restraints' 16115 4 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 16115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with salt tolerant cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model NMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 16115 _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 Varian NMRS . 600 'equipped with salt tolerant cryoprobe' . . 16115 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 16115 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D simultaneous 1H-13C-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 1 7 '3D aromatic 1H-13C NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16115 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 16115 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 16115 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16115 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16115 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_assignments_coilin _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_coilin _Assigned_chem_shift_list.Entry_ID 16115 _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 2 '3D CBCA(CO)NH' . . . 16115 1 3 '3D HNCO' . . . 16115 1 4 '3D HNCACB' . . . 16115 1 5 '3D H(CCO)NH' . . . 16115 1 6 '3D C(CO)NH' . . . 16115 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 16115 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 25 25 ASP HA H 1 4.604 . . 1 . . . . 1 ASP HA . 16115 1 2 . 1 1 25 25 ASP HB2 H 1 2.765 . . 2 . . . . 1 ASP HB1 . 16115 1 3 . 1 1 25 25 ASP HB3 H 1 2.421 . . 2 . . . . 1 ASP HB2 . 16115 1 4 . 1 1 25 25 ASP C C 13 177.064 . . 1 . . . . 1 ASP C . 16115 1 5 . 1 1 25 25 ASP CA C 13 52.566 . . 1 . . . . 1 ASP CA . 16115 1 6 . 1 1 25 25 ASP CB C 13 40.377 . . 1 . . . . 1 ASP CB . 16115 1 7 . 1 1 26 26 TYR H H 1 7.936 . . 1 . . . . 2 TYR HN . 16115 1 8 . 1 1 26 26 TYR HA H 1 3.865 . . 1 . . . . 2 TYR HA . 16115 1 9 . 1 1 26 26 TYR HB2 H 1 2.240 . . 2 . . . . 2 TYR HB1 . 16115 1 10 . 1 1 26 26 TYR HB3 H 1 2.090 . . 2 . . . . 2 TYR HB2 . 16115 1 11 . 1 1 26 26 TYR HD1 H 1 6.717 . . 3 . . . . 2 TYR HD1 . 16115 1 12 . 1 1 26 26 TYR HE1 H 1 6.651 . . 3 . . . . 2 TYR HE1 . 16115 1 13 . 1 1 26 26 TYR C C 13 176.529 . . 1 . . . . 2 TYR C . 16115 1 14 . 1 1 26 26 TYR CA C 13 60.067 . . 1 . . . . 2 TYR CA . 16115 1 15 . 1 1 26 26 TYR CB C 13 37.564 . . 1 . . . . 2 TYR CB . 16115 1 16 . 1 1 26 26 TYR CD1 C 13 132.743 . . 2 . . . . 2 TYR CD1 . 16115 1 17 . 1 1 26 26 TYR CE1 C 13 117.982 . . 2 . . . . 2 TYR CE1 . 16115 1 18 . 1 1 26 26 TYR N N 15 124.324 . . 1 . . . . 2 TYR N . 16115 1 19 . 1 1 27 27 SER H H 1 8.162 . . 1 . . . . 3 SER HN . 16115 1 20 . 1 1 27 27 SER HA H 1 4.027 . . 1 . . . . 3 SER HA . 16115 1 21 . 1 1 27 27 SER C C 13 175.318 . . 1 . . . . 3 SER C . 16115 1 22 . 1 1 27 27 SER CA C 13 61.004 . . 1 . . . . 3 SER CA . 16115 1 23 . 1 1 27 27 SER CB C 13 62.879 . . 1 . . . . 3 SER CB . 16115 1 24 . 1 1 27 27 SER N N 15 112.137 . . 1 . . . . 3 SER N . 16115 1 25 . 1 1 28 28 LEU H H 1 7.249 . . 1 . . . . 4 LEU HN . 16115 1 26 . 1 1 28 28 LEU HA H 1 4.376 . . 1 . . . . 4 LEU HA . 16115 1 27 . 1 1 28 28 LEU HB2 H 1 1.628 . . 2 . . . . 4 LEU HB1 . 16115 1 28 . 1 1 28 28 LEU HB3 H 1 1.530 . . 2 . . . . 4 LEU HB2 . 16115 1 29 . 1 1 28 28 LEU HD11 H 1 0.912 . . 2 . . . . 4 LEU HD11 . 16115 1 30 . 1 1 28 28 LEU HD12 H 1 0.912 . . 2 . . . . 4 LEU HD11 . 16115 1 31 . 1 1 28 28 LEU HD13 H 1 0.912 . . 2 . . . . 4 LEU HD11 . 16115 1 32 . 1 1 28 28 LEU HD21 H 1 0.779 . . 2 . . . . 4 LEU HD21 . 16115 1 33 . 1 1 28 28 LEU HD22 H 1 0.779 . . 2 . . . . 4 LEU HD21 . 16115 1 34 . 1 1 28 28 LEU HD23 H 1 0.779 . . 2 . . . . 4 LEU HD21 . 16115 1 35 . 1 1 28 28 LEU C C 13 177.654 . . 1 . . . . 4 LEU C . 16115 1 36 . 1 1 28 28 LEU CA C 13 54.441 . . 1 . . . . 4 LEU CA . 16115 1 37 . 1 1 28 28 LEU CB C 13 42.252 . . 1 . . . . 4 LEU CB . 16115 1 38 . 1 1 28 28 LEU CD1 C 13 25.376 . . 2 . . . . 4 LEU CD1 . 16115 1 39 . 1 1 28 28 LEU CD2 C 13 22.010 . . 1 . . . . 4 LEU CD2 . 16115 1 40 . 1 1 28 28 LEU N N 15 119.873 . . 1 . . . . 4 LEU N . 16115 1 41 . 1 1 29 29 LEU H H 1 7.383 . . 1 . . . . 5 LEU HN . 16115 1 42 . 1 1 29 29 LEU HA H 1 4.060 . . 1 . . . . 5 LEU HA . 16115 1 43 . 1 1 29 29 LEU HB2 H 1 1.740 . . 2 . . . . 5 LEU HB1 . 16115 1 44 . 1 1 29 29 LEU HB3 H 1 1.930 . . 2 . . . . 5 LEU HB2 . 16115 1 45 . 1 1 29 29 LEU HD11 H 1 0.940 . . 2 . . . . 5 LEU HD11 . 16115 1 46 . 1 1 29 29 LEU HD12 H 1 0.940 . . 2 . . . . 5 LEU HD11 . 16115 1 47 . 1 1 29 29 LEU HD13 H 1 0.940 . . 2 . . . . 5 LEU HD11 . 16115 1 48 . 1 1 29 29 LEU CA C 13 53.503 . . 1 . . . . 5 LEU CA . 16115 1 49 . 1 1 29 29 LEU CB C 13 40.377 . . 1 . . . . 5 LEU CB . 16115 1 50 . 1 1 29 29 LEU N N 15 121.281 . . 1 . . . . 5 LEU N . 16115 1 51 . 1 1 33 33 ALA HA H 1 4.560 . . 1 . . . . 9 ALA HA . 16115 1 52 . 1 1 33 33 ALA HB1 H 1 1.452 . . 1 . . . . 9 ALA HB1 . 16115 1 53 . 1 1 33 33 ALA HB2 H 1 1.452 . . 1 . . . . 9 ALA HB1 . 16115 1 54 . 1 1 33 33 ALA HB3 H 1 1.452 . . 1 . . . . 9 ALA HB1 . 16115 1 55 . 1 1 33 33 ALA C C 13 176.147 . . 1 . . . . 9 ALA C . 16115 1 56 . 1 1 33 33 ALA CA C 13 52.566 . . 1 . . . . 9 ALA CA . 16115 1 57 . 1 1 33 33 ALA CB C 13 19.750 . . 1 . . . . 9 ALA CB . 16115 1 58 . 1 1 34 34 ALA H H 1 7.592 . . 1 . . . . 10 ALA HN . 16115 1 59 . 1 1 34 34 ALA HA H 1 3.770 . . 1 . . . . 10 ALA HA . 16115 1 60 . 1 1 34 34 ALA HB1 H 1 1.080 . . 1 . . . . 10 ALA HB1 . 16115 1 61 . 1 1 34 34 ALA HB2 H 1 1.080 . . 1 . . . . 10 ALA HB1 . 16115 1 62 . 1 1 34 34 ALA HB3 H 1 1.080 . . 1 . . . . 10 ALA HB1 . 16115 1 63 . 1 1 34 34 ALA C C 13 174.590 . . 1 . . . . 10 ALA C . 16115 1 64 . 1 1 34 34 ALA CA C 13 49.753 . . 1 . . . . 10 ALA CA . 16115 1 65 . 1 1 34 34 ALA CB C 13 21.626 . . 1 . . . . 10 ALA CB . 16115 1 66 . 1 1 34 34 ALA N N 15 119.766 . . 1 . . . . 10 ALA N . 16115 1 67 . 1 1 35 35 ALA H H 1 7.311 . . 1 . . . . 11 ALA HN . 16115 1 68 . 1 1 35 35 ALA HA H 1 3.370 . . 1 . . . . 11 ALA HA . 16115 1 69 . 1 1 35 35 ALA HB1 H 1 0.140 . . 1 . . . . 11 ALA HB1 . 16115 1 70 . 1 1 35 35 ALA HB2 H 1 0.140 . . 1 . . . . 11 ALA HB1 . 16115 1 71 . 1 1 35 35 ALA HB3 H 1 0.140 . . 1 . . . . 11 ALA HB1 . 16115 1 72 . 1 1 35 35 ALA CA C 13 49.466 . . 1 . . . . 11 ALA CA . 16115 1 73 . 1 1 35 35 ALA CB C 13 16.400 . . 1 . . . . 11 ALA CB . 16115 1 74 . 1 1 35 35 ALA N N 15 122.123 . . 1 . . . . 11 ALA N . 16115 1 75 . 1 1 36 36 PRO HA H 1 4.489 . . 1 . . . . 12 PRO HA . 16115 1 76 . 1 1 36 36 PRO HB2 H 1 2.232 . . 2 . . . . 12 PRO HB1 . 16115 1 77 . 1 1 36 36 PRO HB3 H 1 1.965 . . 2 . . . . 12 PRO HB2 . 16115 1 78 . 1 1 36 36 PRO HD2 H 1 2.814 . . 2 . . . . 12 PRO HD1 . 16115 1 79 . 1 1 36 36 PRO HD3 H 1 3.366 . . 2 . . . . 12 PRO HD2 . 16115 1 80 . 1 1 36 36 PRO HG2 H 1 1.630 . . 2 . . . . 12 PRO HG1 . 16115 1 81 . 1 1 36 36 PRO HG3 H 1 1.630 . . 2 . . . . 12 PRO HG2 . 16115 1 82 . 1 1 36 36 PRO C C 13 173.493 . . 1 . . . . 12 PRO C . 16115 1 83 . 1 1 36 36 PRO CA C 13 61.004 . . 1 . . . . 12 PRO CA . 16115 1 84 . 1 1 36 36 PRO CB C 13 31.939 . . 1 . . . . 12 PRO CB . 16115 1 85 . 1 1 36 36 PRO CD C 13 49.753 . . 1 . . . . 12 PRO CD . 16115 1 86 . 1 1 36 36 PRO CG C 13 26.313 . . 1 . . . . 12 PRO CG . 16115 1 87 . 1 1 37 37 GLN H H 1 8.262 . . 1 . . . . 13 GLN HN . 16115 1 88 . 1 1 37 37 GLN HA H 1 4.032 . . 1 . . . . 13 GLN HA . 16115 1 89 . 1 1 37 37 GLN HB2 H 1 2.431 . . 2 . . . . 13 GLN HB1 . 16115 1 90 . 1 1 37 37 GLN HE21 H 1 6.720 . . 2 . . . . 13 GLN HE21 . 16115 1 91 . 1 1 37 37 GLN HE22 H 1 6.850 . . 2 . . . . 13 GLN HE22 . 16115 1 92 . 1 1 37 37 GLN C C 13 175.423 . . 1 . . . . 13 GLN C . 16115 1 93 . 1 1 37 37 GLN CA C 13 55.379 . . 1 . . . . 13 GLN CA . 16115 1 94 . 1 1 37 37 GLN CB C 13 30.064 . . 1 . . . . 13 GLN CB . 16115 1 95 . 1 1 37 37 GLN CG C 13 33.814 . . 1 . . . . 13 GLN CG . 16115 1 96 . 1 1 37 37 GLN N N 15 114.690 . . 1 . . . . 13 GLN N . 16115 1 97 . 1 1 37 37 GLN NE2 N 15 114.140 . . 1 . . . . 13 GLN NE2 . 16115 1 98 . 1 1 38 38 VAL H H 1 8.109 . . 1 . . . . 14 VAL HN . 16115 1 99 . 1 1 38 38 VAL HA H 1 3.264 . . 1 . . . . 14 VAL HA . 16115 1 100 . 1 1 38 38 VAL HB H 1 1.928 . . 1 . . . . 14 VAL HB . 16115 1 101 . 1 1 38 38 VAL HG11 H 1 0.897 . . 2 . . . . 14 VAL HG11 . 16115 1 102 . 1 1 38 38 VAL HG12 H 1 0.897 . . 2 . . . . 14 VAL HG11 . 16115 1 103 . 1 1 38 38 VAL HG13 H 1 0.897 . . 2 . . . . 14 VAL HG11 . 16115 1 104 . 1 1 38 38 VAL HG21 H 1 0.981 . . 2 . . . . 14 VAL HG21 . 16115 1 105 . 1 1 38 38 VAL HG22 H 1 0.981 . . 2 . . . . 14 VAL HG21 . 16115 1 106 . 1 1 38 38 VAL HG23 H 1 0.981 . . 2 . . . . 14 VAL HG21 . 16115 1 107 . 1 1 38 38 VAL C C 13 177.383 . . 1 . . . . 14 VAL C . 16115 1 108 . 1 1 38 38 VAL CA C 13 65.692 . . 1 . . . . 14 VAL CA . 16115 1 109 . 1 1 38 38 VAL CB C 13 31.939 . . 1 . . . . 14 VAL CB . 16115 1 110 . 1 1 38 38 VAL CG1 C 13 21.626 . . 2 . . . . 14 VAL CG1 . 16115 1 111 . 1 1 38 38 VAL CG2 C 13 22.799 . . 1 . . . . 14 VAL CG2 . 16115 1 112 . 1 1 38 38 VAL N N 15 119.324 . . 1 . . . . 14 VAL N . 16115 1 113 . 1 1 39 39 GLY H H 1 9.045 . . 1 . . . . 15 GLY HN . 16115 1 114 . 1 1 39 39 GLY HA2 H 1 4.496 . . 2 . . . . 15 GLY HA1 . 16115 1 115 . 1 1 39 39 GLY HA3 H 1 3.596 . . 2 . . . . 15 GLY HA2 . 16115 1 116 . 1 1 39 39 GLY C C 13 174.890 . . 1 . . . . 15 GLY C . 16115 1 117 . 1 1 39 39 GLY CA C 13 45.065 . . 1 . . . . 15 GLY CA . 16115 1 118 . 1 1 39 39 GLY N N 15 115.925 . . 1 . . . . 15 GLY N . 16115 1 119 . 1 1 40 40 GLU H H 1 7.808 . . 1 . . . . 16 GLU HN . 16115 1 120 . 1 1 40 40 GLU HA H 1 4.388 . . 1 . . . . 16 GLU HA . 16115 1 121 . 1 1 40 40 GLU HB2 H 1 2.289 . . 2 . . . . 16 GLU HB1 . 16115 1 122 . 1 1 40 40 GLU HB3 H 1 2.289 . . 2 . . . . 16 GLU HB2 . 16115 1 123 . 1 1 40 40 GLU HG2 H 1 1.990 . . 2 . . . . 16 GLU HG1 . 16115 1 124 . 1 1 40 40 GLU HG3 H 1 2.190 . . 2 . . . . 16 GLU HG2 . 16115 1 125 . 1 1 40 40 GLU C C 13 174.666 . . 1 . . . . 16 GLU C . 16115 1 126 . 1 1 40 40 GLU CA C 13 56.316 . . 1 . . . . 16 GLU CA . 16115 1 127 . 1 1 40 40 GLU CB C 13 30.064 . . 1 . . . . 16 GLU CB . 16115 1 128 . 1 1 40 40 GLU CG C 13 37.564 . . 1 . . . . 16 GLU CG . 16115 1 129 . 1 1 40 40 GLU N N 15 120.034 . . 1 . . . . 16 GLU N . 16115 1 130 . 1 1 41 41 LYS H H 1 9.101 . . 1 . . . . 17 LYS HN . 16115 1 131 . 1 1 41 41 LYS HA H 1 5.274 . . 1 . . . . 17 LYS HA . 16115 1 132 . 1 1 41 41 LYS HB2 H 1 1.560 . . 2 . . . . 17 LYS HB1 . 16115 1 133 . 1 1 41 41 LYS HB3 H 1 1.750 . . 2 . . . . 17 LYS HB2 . 16115 1 134 . 1 1 41 41 LYS HD2 H 1 0.900 . . 2 . . . . 17 LYS HD1 . 16115 1 135 . 1 1 41 41 LYS HD3 H 1 1.090 . . 2 . . . . 17 LYS HD2 . 16115 1 136 . 1 1 41 41 LYS HE2 H 1 2.852 . . 2 . . . . 17 LYS HE1 . 16115 1 137 . 1 1 41 41 LYS HE3 H 1 2.852 . . 2 . . . . 17 LYS HE2 . 16115 1 138 . 1 1 41 41 LYS HG2 H 1 1.290 . . 2 . . . . 17 LYS HG1 . 16115 1 139 . 1 1 41 41 LYS HG3 H 1 1.290 . . 2 . . . . 17 LYS HG2 . 16115 1 140 . 1 1 41 41 LYS C C 13 175.214 . . 1 . . . . 17 LYS C . 16115 1 141 . 1 1 41 41 LYS CA C 13 55.379 . . 1 . . . . 17 LYS CA . 16115 1 142 . 1 1 41 41 LYS CB C 13 34.752 . . 1 . . . . 17 LYS CB . 16115 1 143 . 1 1 41 41 LYS CD C 13 25.376 . . 1 . . . . 17 LYS CD . 16115 1 144 . 1 1 41 41 LYS CE C 13 42.252 . . 1 . . . . 17 LYS CE . 16115 1 145 . 1 1 41 41 LYS CG C 13 30.064 . . 1 . . . . 17 LYS CG . 16115 1 146 . 1 1 41 41 LYS N N 15 122.136 . . 1 . . . . 17 LYS N . 16115 1 147 . 1 1 42 42 ILE H H 1 9.108 . . 1 . . . . 18 ILE HN . 16115 1 148 . 1 1 42 42 ILE HA H 1 5.589 . . 1 . . . . 18 ILE HA . 16115 1 149 . 1 1 42 42 ILE HB H 1 1.982 . . 1 . . . . 18 ILE HB . 16115 1 150 . 1 1 42 42 ILE HD11 H 1 0.770 . . 1 . . . . 18 ILE HD11 . 16115 1 151 . 1 1 42 42 ILE HD12 H 1 0.770 . . 1 . . . . 18 ILE HD11 . 16115 1 152 . 1 1 42 42 ILE HD13 H 1 0.770 . . 1 . . . . 18 ILE HD11 . 16115 1 153 . 1 1 42 42 ILE HG21 H 1 0.633 . . 2 . . . . 18 ILE HG21 . 16115 1 154 . 1 1 42 42 ILE HG22 H 1 0.633 . . 2 . . . . 18 ILE HG21 . 16115 1 155 . 1 1 42 42 ILE HG23 H 1 0.633 . . 2 . . . . 18 ILE HG21 . 16115 1 156 . 1 1 42 42 ILE C C 13 173.727 . . 1 . . . . 18 ILE C . 16115 1 157 . 1 1 42 42 ILE CA C 13 58.191 . . 1 . . . . 18 ILE CA . 16115 1 158 . 1 1 42 42 ILE CB C 13 43.190 . . 1 . . . . 18 ILE CB . 16115 1 159 . 1 1 42 42 ILE CD1 C 13 13.410 . . 1 . . . . 18 ILE CD1 . 16115 1 160 . 1 1 42 42 ILE CG1 C 13 25.376 . . 2 . . . . 18 ILE CG1 . 16115 1 161 . 1 1 42 42 ILE CG2 C 13 15.270 . . 1 . . . . 18 ILE CG2 . 16115 1 162 . 1 1 42 42 ILE N N 15 114.371 . . 1 . . . . 18 ILE N . 16115 1 163 . 1 1 43 43 ALA H H 1 9.267 . . 1 . . . . 19 ALA HN . 16115 1 164 . 1 1 43 43 ALA HA H 1 5.775 . . 1 . . . . 19 ALA HA . 16115 1 165 . 1 1 43 43 ALA HB1 H 1 0.857 . . 1 . . . . 19 ALA HB1 . 16115 1 166 . 1 1 43 43 ALA HB2 H 1 0.857 . . 1 . . . . 19 ALA HB1 . 16115 1 167 . 1 1 43 43 ALA HB3 H 1 0.857 . . 1 . . . . 19 ALA HB1 . 16115 1 168 . 1 1 43 43 ALA C C 13 176.711 . . 1 . . . . 19 ALA C . 16115 1 169 . 1 1 43 43 ALA CA C 13 48.969 . . 1 . . . . 19 ALA CA . 16115 1 170 . 1 1 43 43 ALA CB C 13 22.120 . . 1 . . . . 19 ALA CB . 16115 1 171 . 1 1 43 43 ALA N N 15 123.539 . . 1 . . . . 19 ALA N . 16115 1 172 . 1 1 44 44 PHE H H 1 8.601 . . 1 . . . . 20 PHE HN . 16115 1 173 . 1 1 44 44 PHE HA H 1 4.945 . . 1 . . . . 20 PHE HA . 16115 1 174 . 1 1 44 44 PHE HB2 H 1 2.976 . . 2 . . . . 20 PHE HB1 . 16115 1 175 . 1 1 44 44 PHE HB3 H 1 2.677 . . 2 . . . . 20 PHE HB2 . 16115 1 176 . 1 1 44 44 PHE HD1 H 1 6.650 . . 3 . . . . 20 PHE HD1 . 16115 1 177 . 1 1 44 44 PHE HE1 H 1 6.749 . . 2 . . . . 20 PHE HE1 . 16115 1 178 . 1 1 44 44 PHE HZ H 1 6.825 . . 1 . . . . 20 PHE HZ . 16115 1 179 . 1 1 44 44 PHE C C 13 171.677 . . 1 . . . . 20 PHE C . 16115 1 180 . 1 1 44 44 PHE CA C 13 56.680 . . 1 . . . . 20 PHE CA . 16115 1 181 . 1 1 44 44 PHE CB C 13 40.762 . . 1 . . . . 20 PHE CB . 16115 1 182 . 1 1 44 44 PHE CD1 C 13 132.951 . . 3 . . . . 20 PHE CD1 . 16115 1 183 . 1 1 44 44 PHE CE1 C 13 129.216 . . 2 . . . . 20 PHE CE1 . 16115 1 184 . 1 1 44 44 PHE CZ C 13 129.111 . . 1 . . . . 20 PHE CZ . 16115 1 185 . 1 1 44 44 PHE N N 15 115.623 . . 1 . . . . 20 PHE N . 16115 1 186 . 1 1 45 45 LYS H H 1 8.440 . . 1 . . . . 21 LYS HN . 16115 1 187 . 1 1 45 45 LYS HA H 1 4.540 . . 1 . . . . 21 LYS HA . 16115 1 188 . 1 1 45 45 LYS HB2 H 1 1.550 . . 2 . . . . 21 LYS HB2 . 16115 1 189 . 1 1 45 45 LYS HG2 H 1 1.230 . . 2 . . . . 21 LYS HG2 . 16115 1 190 . 1 1 45 45 LYS CA C 13 54.441 . . 1 . . . . 21 LYS CA . 16115 1 191 . 1 1 45 45 LYS CB C 13 34.752 . . 1 . . . . 21 LYS CB . 16115 1 192 . 1 1 45 45 LYS N N 15 118.278 . . 1 . . . . 21 LYS N . 16115 1 193 . 1 1 49 49 LEU HA H 1 4.412 . . 1 . . . . 25 LEU HA . 16115 1 194 . 1 1 49 49 LEU HB2 H 1 1.639 . . 2 . . . . 25 LEU HB1 . 16115 1 195 . 1 1 49 49 LEU HD11 H 1 0.848 . . 2 . . . . 25 LEU HD11 . 16115 1 196 . 1 1 49 49 LEU HD12 H 1 0.848 . . 2 . . . . 25 LEU HD11 . 16115 1 197 . 1 1 49 49 LEU HD13 H 1 0.848 . . 2 . . . . 25 LEU HD11 . 16115 1 198 . 1 1 49 49 LEU C C 13 177.523 . . 1 . . . . 25 LEU C . 16115 1 199 . 1 1 49 49 LEU CA C 13 55.379 . . 1 . . . . 25 LEU CA . 16115 1 200 . 1 1 49 49 LEU CB C 13 42.252 . . 1 . . . . 25 LEU CB . 16115 1 201 . 1 1 50 50 THR H H 1 8.061 . . 1 . . . . 26 THR HN . 16115 1 202 . 1 1 50 50 THR HA H 1 4.380 . . 1 . . . . 26 THR HA . 16115 1 203 . 1 1 50 50 THR HG21 H 1 1.180 . . 1 . . . . 26 THR HG21 . 16115 1 204 . 1 1 50 50 THR HG22 H 1 1.180 . . 1 . . . . 26 THR HG21 . 16115 1 205 . 1 1 50 50 THR HG23 H 1 1.180 . . 1 . . . . 26 THR HG21 . 16115 1 206 . 1 1 50 50 THR CA C 13 61.942 . . 1 . . . . 26 THR CA . 16115 1 207 . 1 1 50 50 THR CB C 13 69.442 . . 1 . . . . 26 THR CB . 16115 1 208 . 1 1 50 50 THR N N 15 113.435 . . 1 . . . . 26 THR N . 16115 1 209 . 1 1 53 53 TYR HB2 H 1 2.995 . . 2 . . . . 29 TYR HB1 . 16115 1 210 . 1 1 53 53 TYR CA C 13 58.191 . . 1 . . . . 29 TYR CA . 16115 1 211 . 1 1 53 53 TYR CB C 13 38.502 . . 1 . . . . 29 TYR CB . 16115 1 212 . 1 1 54 54 SER H H 1 7.969 . . 1 . . . . 30 SER HN . 16115 1 213 . 1 1 54 54 SER HA H 1 4.480 . . 1 . . . . 30 SER HA . 16115 1 214 . 1 1 54 54 SER HB2 H 1 3.770 . . 2 . . . . 30 SER HB1 . 16115 1 215 . 1 1 54 54 SER HB3 H 1 3.770 . . 2 . . . . 30 SER HB2 . 16115 1 216 . 1 1 54 54 SER CA C 13 55.379 . . 1 . . . . 30 SER CA . 16115 1 217 . 1 1 54 54 SER CB C 13 63.817 . . 1 . . . . 30 SER CB . 16115 1 218 . 1 1 54 54 SER N N 15 117.769 . . 1 . . . . 30 SER N . 16115 1 219 . 1 1 55 55 PRO HA H 1 4.396 . . 1 . . . . 31 PRO HA . 16115 1 220 . 1 1 55 55 PRO HB2 H 1 1.970 . . 2 . . . . 31 PRO HB1 . 16115 1 221 . 1 1 55 55 PRO HB3 H 1 2.235 . . 2 . . . . 31 PRO HB2 . 16115 1 222 . 1 1 55 55 PRO HD2 H 1 3.664 . . 2 . . . . 31 PRO HD1 . 16115 1 223 . 1 1 55 55 PRO HG2 H 1 1.776 . . 2 . . . . 31 PRO HG1 . 16115 1 224 . 1 1 55 55 PRO CA C 13 63.817 . . 1 . . . . 31 PRO CA . 16115 1 225 . 1 1 55 55 PRO CB C 13 31.939 . . 1 . . . . 31 PRO CB . 16115 1 226 . 1 1 56 56 ASP H H 1 8.299 . . 1 . . . . 32 ASP HN . 16115 1 227 . 1 1 56 56 ASP HA H 1 4.561 . . 1 . . . . 32 ASP HA . 16115 1 228 . 1 1 56 56 ASP HB2 H 1 2.540 . . 2 . . . . 32 ASP HB1 . 16115 1 229 . 1 1 56 56 ASP HB3 H 1 2.690 . . 2 . . . . 32 ASP HB2 . 16115 1 230 . 1 1 56 56 ASP CA C 13 54.441 . . 1 . . . . 32 ASP CA . 16115 1 231 . 1 1 56 56 ASP N N 15 118.821 . . 1 . . . . 32 ASP N . 16115 1 232 . 1 1 57 57 VAL H H 1 7.843 . . 1 . . . . 33 VAL HN . 16115 1 233 . 1 1 57 57 VAL HA H 1 4.240 . . 1 . . . . 33 VAL HA . 16115 1 234 . 1 1 57 57 VAL HB H 1 2.090 . . 1 . . . . 33 VAL HB . 16115 1 235 . 1 1 57 57 VAL HG11 H 1 0.920 . . 2 . . . . 33 VAL HG11 . 16115 1 236 . 1 1 57 57 VAL HG12 H 1 0.920 . . 2 . . . . 33 VAL HG11 . 16115 1 237 . 1 1 57 57 VAL HG13 H 1 0.920 . . 2 . . . . 33 VAL HG11 . 16115 1 238 . 1 1 57 57 VAL HG21 H 1 0.890 . . 2 . . . . 33 VAL HG21 . 16115 1 239 . 1 1 57 57 VAL HG22 H 1 0.890 . . 2 . . . . 33 VAL HG21 . 16115 1 240 . 1 1 57 57 VAL HG23 H 1 0.890 . . 2 . . . . 33 VAL HG21 . 16115 1 241 . 1 1 57 57 VAL C C 13 176.019 . . 1 . . . . 33 VAL C . 16115 1 242 . 1 1 57 57 VAL CA C 13 51.628 . . 1 . . . . 33 VAL CA . 16115 1 243 . 1 1 57 57 VAL CB C 13 32.877 . . 1 . . . . 33 VAL CB . 16115 1 244 . 1 1 57 57 VAL N N 15 118.317 . . 1 . . . . 33 VAL N . 16115 1 245 . 1 1 58 58 SER H H 1 8.260 . . 1 . . . . 34 SER HN . 16115 1 246 . 1 1 58 58 SER HA H 1 4.395 . . 1 . . . . 34 SER HA . 16115 1 247 . 1 1 58 58 SER HB2 H 1 3.883 . . 2 . . . . 34 SER HB1 . 16115 1 248 . 1 1 58 58 SER C C 13 173.717 . . 1 . . . . 34 SER C . 16115 1 249 . 1 1 58 58 SER CA C 13 58.191 . . 1 . . . . 34 SER CA . 16115 1 250 . 1 1 58 58 SER CB C 13 64.754 . . 1 . . . . 34 SER CB . 16115 1 251 . 1 1 58 58 SER N N 15 119.726 . . 1 . . . . 34 SER N . 16115 1 252 . 1 1 59 59 ASP H H 1 8.291 . . 1 . . . . 35 ASP HN . 16115 1 253 . 1 1 59 59 ASP HA H 1 4.650 . . 1 . . . . 35 ASP HA . 16115 1 254 . 1 1 59 59 ASP HB2 H 1 2.687 . . 2 . . . . 35 ASP HB1 . 16115 1 255 . 1 1 59 59 ASP HB3 H 1 2.512 . . 2 . . . . 35 ASP HB2 . 16115 1 256 . 1 1 59 59 ASP C C 13 175.775 . . 1 . . . . 35 ASP C . 16115 1 257 . 1 1 59 59 ASP CA C 13 53.503 . . 1 . . . . 35 ASP CA . 16115 1 258 . 1 1 59 59 ASP CB C 13 42.252 . . 1 . . . . 35 ASP CB . 16115 1 259 . 1 1 59 59 ASP N N 15 121.636 . . 1 . . . . 35 ASP N . 16115 1 260 . 1 1 60 60 TYR H H 1 8.227 . . 1 . . . . 36 TYR HN . 16115 1 261 . 1 1 60 60 TYR HA H 1 4.000 . . 1 . . . . 36 TYR HA . 16115 1 262 . 1 1 60 60 TYR HB2 H 1 2.120 . . 2 . . . . 36 TYR HB1 . 16115 1 263 . 1 1 60 60 TYR HB3 H 1 2.120 . . 2 . . . . 36 TYR HB2 . 16115 1 264 . 1 1 60 60 TYR HD1 H 1 6.778 . . 3 . . . . 36 TYR HD1 . 16115 1 265 . 1 1 60 60 TYR CA C 13 59.129 . . 1 . . . . 36 TYR CA . 16115 1 266 . 1 1 60 60 TYR CB C 13 39.440 . . 1 . . . . 36 TYR CB . 16115 1 267 . 1 1 60 60 TYR N N 15 118.561 . . 1 . . . . 36 TYR N . 16115 1 268 . 1 1 61 61 LYS HA H 1 4.358 . . 1 . . . . 37 LYS HA . 16115 1 269 . 1 1 61 61 LYS HB2 H 1 1.985 . . 2 . . . . 37 LYS HB1 . 16115 1 270 . 1 1 61 61 LYS HG2 H 1 1.450 . . 2 . . . . 37 LYS HG1 . 16115 1 271 . 1 1 61 61 LYS C C 13 174.584 . . 1 . . . . 37 LYS C . 16115 1 272 . 1 1 61 61 LYS CA C 13 53.503 . . 1 . . . . 37 LYS CA . 16115 1 273 . 1 1 61 61 LYS CB C 13 31.001 . . 1 . . . . 37 LYS CB . 16115 1 274 . 1 1 61 61 LYS CG C 13 34.752 . . 1 . . . . 37 LYS CG . 16115 1 275 . 1 1 62 62 GLU H H 1 8.476 . . 1 . . . . 38 GLU HN . 16115 1 276 . 1 1 62 62 GLU HA H 1 5.417 . . 1 . . . . 38 GLU HA . 16115 1 277 . 1 1 62 62 GLU HB2 H 1 2.337 . . 2 . . . . 38 GLU HB1 . 16115 1 278 . 1 1 62 62 GLU HB3 H 1 2.072 . . 2 . . . . 38 GLU HB2 . 16115 1 279 . 1 1 62 62 GLU C C 13 176.892 . . 1 . . . . 38 GLU C . 16115 1 280 . 1 1 62 62 GLU CA C 13 54.441 . . 1 . . . . 38 GLU CA . 16115 1 281 . 1 1 62 62 GLU CB C 13 33.814 . . 1 . . . . 38 GLU CB . 16115 1 282 . 1 1 62 62 GLU CG C 13 36.627 . . 1 . . . . 38 GLU CG . 16115 1 283 . 1 1 62 62 GLU N N 15 116.738 . . 1 . . . . 38 GLU N . 16115 1 284 . 1 1 63 63 GLY H H 1 9.462 . . 1 . . . . 39 GLY HN . 16115 1 285 . 1 1 63 63 GLY HA2 H 1 5.257 . . 2 . . . . 39 GLY HA1 . 16115 1 286 . 1 1 63 63 GLY HA3 H 1 3.685 . . 2 . . . . 39 GLY HA2 . 16115 1 287 . 1 1 63 63 GLY C C 13 170.628 . . 1 . . . . 39 GLY C . 16115 1 288 . 1 1 63 63 GLY CA C 13 46.003 . . 1 . . . . 39 GLY CA . 16115 1 289 . 1 1 63 63 GLY N N 15 107.679 . . 1 . . . . 39 GLY N . 16115 1 290 . 1 1 64 64 ARG H H 1 8.992 . . 1 . . . . 40 ARG HN . 16115 1 291 . 1 1 64 64 ARG HA H 1 4.761 . . 1 . . . . 40 ARG HA . 16115 1 292 . 1 1 64 64 ARG HB2 H 1 1.570 . . 2 . . . . 40 ARG HB1 . 16115 1 293 . 1 1 64 64 ARG HB3 H 1 1.340 . . 2 . . . . 40 ARG HB2 . 16115 1 294 . 1 1 64 64 ARG HD2 H 1 3.210 . . 2 . . . . 40 ARG HD1 . 16115 1 295 . 1 1 64 64 ARG HD3 H 1 3.210 . . 2 . . . . 40 ARG HD2 . 16115 1 296 . 1 1 64 64 ARG HG2 H 1 0.870 . . 2 . . . . 40 ARG HG1 . 16115 1 297 . 1 1 64 64 ARG HG3 H 1 0.870 . . 2 . . . . 40 ARG HG2 . 16115 1 298 . 1 1 64 64 ARG C C 13 176.709 . . 1 . . . . 40 ARG C . 16115 1 299 . 1 1 64 64 ARG CA C 13 53.503 . . 1 . . . . 40 ARG CA . 16115 1 300 . 1 1 64 64 ARG CB C 13 33.814 . . 1 . . . . 40 ARG CB . 16115 1 301 . 1 1 64 64 ARG CD C 13 24.438 . . 1 . . . . 40 ARG CD . 16115 1 302 . 1 1 64 64 ARG CG C 13 27.251 . . 1 . . . . 40 ARG CG . 16115 1 303 . 1 1 64 64 ARG N N 15 120.020 . . 1 . . . . 40 ARG N . 16115 1 304 . 1 1 65 65 ILE H H 1 8.673 . . 1 . . . . 41 ILE HN . 16115 1 305 . 1 1 65 65 ILE HA H 1 4.120 . . 1 . . . . 41 ILE HA . 16115 1 306 . 1 1 65 65 ILE HB H 1 2.220 . . 1 . . . . 41 ILE HB . 16115 1 307 . 1 1 65 65 ILE HD11 H 1 0.726 . . 1 . . . . 41 ILE HD11 . 16115 1 308 . 1 1 65 65 ILE HD12 H 1 0.726 . . 1 . . . . 41 ILE HD11 . 16115 1 309 . 1 1 65 65 ILE HD13 H 1 0.726 . . 1 . . . . 41 ILE HD11 . 16115 1 310 . 1 1 65 65 ILE HG12 H 1 1.287 . . 9 . . . . 41 ILE HG11 . 16115 1 311 . 1 1 65 65 ILE HG21 H 1 0.797 . . 2 . . . . 41 ILE HG21 . 16115 1 312 . 1 1 65 65 ILE HG22 H 1 0.797 . . 2 . . . . 41 ILE HG21 . 16115 1 313 . 1 1 65 65 ILE HG23 H 1 0.797 . . 2 . . . . 41 ILE HG21 . 16115 1 314 . 1 1 65 65 ILE C C 13 176.389 . . 1 . . . . 41 ILE C . 16115 1 315 . 1 1 65 65 ILE CA C 13 60.067 . . 1 . . . . 41 ILE CA . 16115 1 316 . 1 1 65 65 ILE CB C 13 35.689 . . 1 . . . . 41 ILE CB . 16115 1 317 . 1 1 65 65 ILE CD1 C 13 10.550 . . 1 . . . . 41 ILE CD1 . 16115 1 318 . 1 1 65 65 ILE CG2 C 13 17.227 . . 1 . . . . 41 ILE CG2 . 16115 1 319 . 1 1 65 65 ILE N N 15 124.318 . . 1 . . . . 41 ILE N . 16115 1 320 . 1 1 66 66 LEU H H 1 9.358 . . 1 . . . . 42 LEU HN . 16115 1 321 . 1 1 66 66 LEU HA H 1 4.486 . . 1 . . . . 42 LEU HA . 16115 1 322 . 1 1 66 66 LEU HB2 H 1 1.584 . . 2 . . . . 42 LEU HB1 . 16115 1 323 . 1 1 66 66 LEU HD11 H 1 0.730 . . 2 . . . . 42 LEU HD11 . 16115 1 324 . 1 1 66 66 LEU HD12 H 1 0.730 . . 2 . . . . 42 LEU HD11 . 16115 1 325 . 1 1 66 66 LEU HD13 H 1 0.730 . . 2 . . . . 42 LEU HD11 . 16115 1 326 . 1 1 66 66 LEU HD21 H 1 0.829 . . 2 . . . . 42 LEU HD21 . 16115 1 327 . 1 1 66 66 LEU HD22 H 1 0.829 . . 2 . . . . 42 LEU HD21 . 16115 1 328 . 1 1 66 66 LEU HD23 H 1 0.829 . . 2 . . . . 42 LEU HD21 . 16115 1 329 . 1 1 66 66 LEU C C 13 177.221 . . 1 . . . . 42 LEU C . 16115 1 330 . 1 1 66 66 LEU CA C 13 55.379 . . 1 . . . . 42 LEU CA . 16115 1 331 . 1 1 66 66 LEU CB C 13 44.128 . . 1 . . . . 42 LEU CB . 16115 1 332 . 1 1 66 66 LEU CD1 C 13 26.313 . . 2 . . . . 42 LEU CD1 . 16115 1 333 . 1 1 66 66 LEU CD2 C 13 21.626 . . 2 . . . . 42 LEU CD2 . 16115 1 334 . 1 1 66 66 LEU N N 15 129.911 . . 1 . . . . 42 LEU N . 16115 1 335 . 1 1 67 67 SER H H 1 7.643 . . 1 . . . . 43 SER HN . 16115 1 336 . 1 1 67 67 SER HA H 1 4.100 . . 1 . . . . 43 SER HA . 16115 1 337 . 1 1 67 67 SER HB2 H 1 3.810 . . 2 . . . . 43 SER HB1 . 16115 1 338 . 1 1 67 67 SER HB3 H 1 3.810 . . 2 . . . . 43 SER HB2 . 16115 1 339 . 1 1 67 67 SER CA C 13 57.254 . . 1 . . . . 43 SER CA . 16115 1 340 . 1 1 67 67 SER CB C 13 63.817 . . 1 . . . . 43 SER CB . 16115 1 341 . 1 1 67 67 SER N N 15 110.271 . . 1 . . . . 43 SER N . 16115 1 342 . 1 1 70 70 PRO HA H 1 4.115 . . 1 . . . . 46 PRO HA . 16115 1 343 . 1 1 70 70 PRO HB2 H 1 1.968 . . 2 . . . . 46 PRO HB1 . 16115 1 344 . 1 1 70 70 PRO HB3 H 1 2.130 . . 2 . . . . 46 PRO HB2 . 16115 1 345 . 1 1 70 70 PRO HD2 H 1 3.784 . . 2 . . . . 46 PRO HD1 . 16115 1 346 . 1 1 70 70 PRO C C 13 177.475 . . 1 . . . . 46 PRO C . 16115 1 347 . 1 1 70 70 PRO CA C 13 63.817 . . 1 . . . . 46 PRO CA . 16115 1 348 . 1 1 70 70 PRO CB C 13 31.939 . . 1 . . . . 46 PRO CB . 16115 1 349 . 1 1 70 70 PRO CD C 13 50.691 . . 1 . . . . 46 PRO CD . 16115 1 350 . 1 1 70 70 PRO CG C 13 26.313 . . 1 . . . . 46 PRO CG . 16115 1 351 . 1 1 71 71 GLU H H 1 8.100 . . 1 . . . . 47 GLU HN . 16115 1 352 . 1 1 71 71 GLU HA H 1 4.235 . . 1 . . . . 47 GLU HA . 16115 1 353 . 1 1 71 71 GLU HB2 H 1 2.259 . . 2 . . . . 47 GLU HB1 . 16115 1 354 . 1 1 71 71 GLU HB3 H 1 2.140 . . 2 . . . . 47 GLU HB2 . 16115 1 355 . 1 1 71 71 GLU C C 13 178.155 . . 1 . . . . 47 GLU C . 16115 1 356 . 1 1 71 71 GLU CA C 13 58.191 . . 1 . . . . 47 GLU CA . 16115 1 357 . 1 1 71 71 GLU CB C 13 30.064 . . 1 . . . . 47 GLU CB . 16115 1 358 . 1 1 71 71 GLU CG C 13 36.627 . . 1 . . . . 47 GLU CG . 16115 1 359 . 1 1 71 71 GLU N N 15 117.581 . . 1 . . . . 47 GLU N . 16115 1 360 . 1 1 72 72 THR H H 1 7.229 . . 1 . . . . 48 THR HN . 16115 1 361 . 1 1 72 72 THR HA H 1 4.430 . . 1 . . . . 48 THR HA . 16115 1 362 . 1 1 72 72 THR HB H 1 4.070 . . 1 . . . . 48 THR HB . 16115 1 363 . 1 1 72 72 THR HG21 H 1 1.150 . . 1 . . . . 48 THR HG21 . 16115 1 364 . 1 1 72 72 THR HG22 H 1 1.150 . . 1 . . . . 48 THR HG21 . 16115 1 365 . 1 1 72 72 THR HG23 H 1 1.150 . . 1 . . . . 48 THR HG21 . 16115 1 366 . 1 1 72 72 THR C C 13 175.561 . . 1 . . . . 48 THR C . 16115 1 367 . 1 1 72 72 THR CA C 13 61.004 . . 1 . . . . 48 THR CA . 16115 1 368 . 1 1 72 72 THR CB C 13 70.380 . . 1 . . . . 48 THR CB . 16115 1 369 . 1 1 72 72 THR CG2 C 13 21.626 . . 1 . . . . 48 THR CG2 . 16115 1 370 . 1 1 72 72 THR N N 15 106.531 . . 1 . . . . 48 THR N . 16115 1 371 . 1 1 73 73 GLN H H 1 8.382 . . 1 . . . . 49 GLN HN . 16115 1 372 . 1 1 73 73 GLN HA H 1 4.057 . . 1 . . . . 49 GLN HA . 16115 1 373 . 1 1 73 73 GLN HB2 H 1 2.427 . . 2 . . . . 49 GLN HB1 . 16115 1 374 . 1 1 73 73 GLN HB3 H 1 2.710 . . 2 . . . . 49 GLN HB2 . 16115 1 375 . 1 1 73 73 GLN C C 13 175.353 . . 1 . . . . 49 GLN C . 16115 1 376 . 1 1 73 73 GLN CA C 13 57.254 . . 1 . . . . 49 GLN CA . 16115 1 377 . 1 1 73 73 GLN CB C 13 26.313 . . 1 . . . . 49 GLN CB . 16115 1 378 . 1 1 73 73 GLN CG C 13 33.814 . . 1 . . . . 49 GLN CG . 16115 1 379 . 1 1 73 73 GLN N N 15 114.076 . . 1 . . . . 49 GLN N . 16115 1 380 . 1 1 74 74 GLN H H 1 7.621 . . 1 . . . . 50 GLN HN . 16115 1 381 . 1 1 74 74 GLN HA H 1 5.400 . . 1 . . . . 50 GLN HA . 16115 1 382 . 1 1 74 74 GLN HB2 H 1 1.670 . . 2 . . . . 50 GLN HB1 . 16115 1 383 . 1 1 74 74 GLN HB3 H 1 1.670 . . 2 . . . . 50 GLN HB2 . 16115 1 384 . 1 1 74 74 GLN HG2 H 1 1.340 . . 2 . . . . 50 GLN HG1 . 16115 1 385 . 1 1 74 74 GLN HG3 H 1 0.960 . . 2 . . . . 50 GLN HG2 . 16115 1 386 . 1 1 74 74 GLN C C 13 175.781 . . 1 . . . . 50 GLN C . 16115 1 387 . 1 1 74 74 GLN CA C 13 55.379 . . 1 . . . . 50 GLN CA . 16115 1 388 . 1 1 74 74 GLN CB C 13 31.939 . . 1 . . . . 50 GLN CB . 16115 1 389 . 1 1 74 74 GLN CG C 13 34.752 . . 1 . . . . 50 GLN CG . 16115 1 390 . 1 1 74 74 GLN N N 15 117.784 . . 1 . . . . 50 GLN N . 16115 1 391 . 1 1 75 75 VAL H H 1 9.289 . . 1 . . . . 51 VAL HN . 16115 1 392 . 1 1 75 75 VAL HA H 1 5.006 . . 1 . . . . 51 VAL HA . 16115 1 393 . 1 1 75 75 VAL HB H 1 2.150 . . 1 . . . . 51 VAL HB . 16115 1 394 . 1 1 75 75 VAL HG11 H 1 1.056 . . 2 . . . . 51 VAL HG11 . 16115 1 395 . 1 1 75 75 VAL HG12 H 1 1.056 . . 2 . . . . 51 VAL HG11 . 16115 1 396 . 1 1 75 75 VAL HG13 H 1 1.056 . . 2 . . . . 51 VAL HG11 . 16115 1 397 . 1 1 75 75 VAL HG21 H 1 0.970 . . 2 . . . . 51 VAL HG21 . 16115 1 398 . 1 1 75 75 VAL HG22 H 1 0.970 . . 2 . . . . 51 VAL HG21 . 16115 1 399 . 1 1 75 75 VAL HG23 H 1 0.970 . . 2 . . . . 51 VAL HG21 . 16115 1 400 . 1 1 75 75 VAL C C 13 173.486 . . 1 . . . . 51 VAL C . 16115 1 401 . 1 1 75 75 VAL CA C 13 59.129 . . 1 . . . . 51 VAL CA . 16115 1 402 . 1 1 75 75 VAL CB C 13 35.689 . . 1 . . . . 51 VAL CB . 16115 1 403 . 1 1 75 75 VAL CG1 C 13 22.748 . . 1 . . . . 51 VAL CG1 . 16115 1 404 . 1 1 75 75 VAL N N 15 119.089 . . 1 . . . . 51 VAL N . 16115 1 405 . 1 1 76 76 ASP H H 1 7.800 . . 1 . . . . 52 ASP HN . 16115 1 406 . 1 1 76 76 ASP HA H 1 5.735 . . 1 . . . . 52 ASP HA . 16115 1 407 . 1 1 76 76 ASP HB2 H 1 2.694 . . 2 . . . . 52 ASP HB1 . 16115 1 408 . 1 1 76 76 ASP HB3 H 1 2.241 . . 2 . . . . 52 ASP HB2 . 16115 1 409 . 1 1 76 76 ASP C C 13 175.990 . . 1 . . . . 52 ASP C . 16115 1 410 . 1 1 76 76 ASP CA C 13 52.566 . . 1 . . . . 52 ASP CA . 16115 1 411 . 1 1 76 76 ASP CB C 13 42.252 . . 1 . . . . 52 ASP CB . 16115 1 412 . 1 1 76 76 ASP N N 15 121.417 . . 1 . . . . 52 ASP N . 16115 1 413 . 1 1 77 77 ILE H H 1 9.385 . . 1 . . . . 53 ILE HN . 16115 1 414 . 1 1 77 77 ILE HA H 1 4.746 . . 1 . . . . 53 ILE HA . 16115 1 415 . 1 1 77 77 ILE HB H 1 1.420 . . 1 . . . . 53 ILE HB . 16115 1 416 . 1 1 77 77 ILE HD11 H 1 0.175 . . 1 . . . . 53 ILE HD11 . 16115 1 417 . 1 1 77 77 ILE HD12 H 1 0.175 . . 1 . . . . 53 ILE HD11 . 16115 1 418 . 1 1 77 77 ILE HD13 H 1 0.175 . . 1 . . . . 53 ILE HD11 . 16115 1 419 . 1 1 77 77 ILE HG12 H 1 0.970 . . 1 . . . . 53 ILE HG11 . 16115 1 420 . 1 1 77 77 ILE HG13 H 1 0.970 . . 1 . . . . 53 ILE HG12 . 16115 1 421 . 1 1 77 77 ILE HG21 H 1 0.617 . . 2 . . . . 53 ILE HG21 . 16115 1 422 . 1 1 77 77 ILE HG22 H 1 0.617 . . 2 . . . . 53 ILE HG21 . 16115 1 423 . 1 1 77 77 ILE HG23 H 1 0.617 . . 2 . . . . 53 ILE HG21 . 16115 1 424 . 1 1 77 77 ILE C C 13 174.593 . . 1 . . . . 53 ILE C . 16115 1 425 . 1 1 77 77 ILE CA C 13 59.129 . . 1 . . . . 53 ILE CA . 16115 1 426 . 1 1 77 77 ILE CB C 13 42.252 . . 1 . . . . 53 ILE CB . 16115 1 427 . 1 1 77 77 ILE CD1 C 13 14.125 . . 1 . . . . 53 ILE CD1 . 16115 1 428 . 1 1 77 77 ILE CG1 C 13 28.189 . . 2 . . . . 53 ILE CG1 . 16115 1 429 . 1 1 77 77 ILE CG2 C 13 16.938 . . 2 . . . . 53 ILE CG2 . 16115 1 430 . 1 1 77 77 ILE N N 15 123.644 . . 1 . . . . 53 ILE N . 16115 1 431 . 1 1 78 78 GLU H H 1 9.064 . . 1 . . . . 54 GLU HN . 16115 1 432 . 1 1 78 78 GLU HA H 1 4.793 . . 1 . . . . 54 GLU HA . 16115 1 433 . 1 1 78 78 GLU HB2 H 1 2.230 . . 2 . . . . 54 GLU HB1 . 16115 1 434 . 1 1 78 78 GLU HB3 H 1 2.020 . . 2 . . . . 54 GLU HB2 . 16115 1 435 . 1 1 78 78 GLU C C 13 175.627 . . 1 . . . . 54 GLU C . 16115 1 436 . 1 1 78 78 GLU CA C 13 54.441 . . 1 . . . . 54 GLU CA . 16115 1 437 . 1 1 78 78 GLU CB C 13 31.939 . . 1 . . . . 54 GLU CB . 16115 1 438 . 1 1 78 78 GLU CG C 13 35.689 . . 1 . . . . 54 GLU CG . 16115 1 439 . 1 1 78 78 GLU N N 15 127.449 . . 1 . . . . 54 GLU N . 16115 1 440 . 1 1 79 79 ILE H H 1 8.908 . . 1 . . . . 55 ILE HN . 16115 1 441 . 1 1 79 79 ILE HA H 1 4.350 . . 1 . . . . 55 ILE HA . 16115 1 442 . 1 1 79 79 ILE HB H 1 1.580 . . 1 . . . . 55 ILE HB . 16115 1 443 . 1 1 79 79 ILE HD11 H 1 0.850 . . 1 . . . . 55 ILE HD11 . 16115 1 444 . 1 1 79 79 ILE HD12 H 1 0.850 . . 1 . . . . 55 ILE HD11 . 16115 1 445 . 1 1 79 79 ILE HD13 H 1 0.850 . . 1 . . . . 55 ILE HD11 . 16115 1 446 . 1 1 79 79 ILE HG21 H 1 1.040 . . 2 . . . . 55 ILE HG21 . 16115 1 447 . 1 1 79 79 ILE HG22 H 1 1.040 . . 2 . . . . 55 ILE HG21 . 16115 1 448 . 1 1 79 79 ILE HG23 H 1 1.040 . . 2 . . . . 55 ILE HG21 . 16115 1 449 . 1 1 79 79 ILE CD1 C 13 11.420 . . 1 . . . . 55 ILE CD1 . 16115 1 450 . 1 1 79 79 ILE CG2 C 13 17.480 . . 1 . . . . 55 ILE CG2 . 16115 1 451 . 1 1 79 79 ILE N N 15 128.743 . . 1 . . . . 55 ILE N . 16115 1 452 . 1 1 80 80 LEU HA H 1 4.580 . . 1 . . . . 56 LEU HA . 16115 1 453 . 1 1 80 80 LEU HB2 H 1 1.580 . . 2 . . . . 56 LEU HB1 . 16115 1 454 . 1 1 80 80 LEU HD11 H 1 0.892 . . 2 . . . . 56 LEU HD11 . 16115 1 455 . 1 1 80 80 LEU HD12 H 1 0.892 . . 2 . . . . 56 LEU HD11 . 16115 1 456 . 1 1 80 80 LEU HD13 H 1 0.892 . . 2 . . . . 56 LEU HD11 . 16115 1 457 . 1 1 80 80 LEU C C 13 177.218 . . 1 . . . . 56 LEU C . 16115 1 458 . 1 1 80 80 LEU CA C 13 54.441 . . 1 . . . . 56 LEU CA . 16115 1 459 . 1 1 80 80 LEU CB C 13 42.252 . . 1 . . . . 56 LEU CB . 16115 1 460 . 1 1 80 80 LEU CD1 C 13 25.376 . . 2 . . . . 56 LEU CD1 . 16115 1 461 . 1 1 81 81 SER H H 1 8.129 . . 1 . . . . 57 SER HN . 16115 1 462 . 1 1 81 81 SER HA H 1 4.529 . . 1 . . . . 57 SER HA . 16115 1 463 . 1 1 81 81 SER HB2 H 1 3.990 . . 2 . . . . 57 SER HB1 . 16115 1 464 . 1 1 81 81 SER HB3 H 1 3.790 . . 2 . . . . 57 SER HB2 . 16115 1 465 . 1 1 81 81 SER C C 13 174.238 . . 1 . . . . 57 SER C . 16115 1 466 . 1 1 81 81 SER CA C 13 58.191 . . 1 . . . . 57 SER CA . 16115 1 467 . 1 1 81 81 SER CB C 13 63.817 . . 1 . . . . 57 SER CB . 16115 1 468 . 1 1 81 81 SER N N 15 115.009 . . 1 . . . . 57 SER N . 16115 1 469 . 1 1 82 82 SER H H 1 8.387 . . 1 . . . . 58 SER HN . 16115 1 470 . 1 1 82 82 SER HA H 1 4.520 . . 1 . . . . 58 SER HA . 16115 1 471 . 1 1 82 82 SER HB2 H 1 3.830 . . 2 . . . . 58 SER HB1 . 16115 1 472 . 1 1 82 82 SER HB3 H 1 3.830 . . 2 . . . . 58 SER HB2 . 16115 1 473 . 1 1 82 82 SER CA C 13 58.191 . . 1 . . . . 58 SER CA . 16115 1 474 . 1 1 82 82 SER CB C 13 63.817 . . 1 . . . . 58 SER CB . 16115 1 475 . 1 1 82 82 SER N N 15 117.345 . . 1 . . . . 58 SER N . 16115 1 476 . 1 1 84 84 PRO C C 13 175.253 . . 1 . . . . 60 PRO C . 16115 1 477 . 1 1 84 84 PRO CA C 13 62.879 . . 1 . . . . 60 PRO CA . 16115 1 478 . 1 1 84 84 PRO CB C 13 33.814 . . 1 . . . . 60 PRO CB . 16115 1 479 . 1 1 84 84 PRO CD C 13 49.753 . . 1 . . . . 60 PRO CD . 16115 1 480 . 1 1 84 84 PRO CG C 13 24.438 . . 1 . . . . 60 PRO CG . 16115 1 481 . 1 1 85 85 ALA H H 1 8.249 . . 1 . . . . 61 ALA HN . 16115 1 482 . 1 1 85 85 ALA HA H 1 4.100 . . 1 . . . . 61 ALA HA . 16115 1 483 . 1 1 85 85 ALA HB1 H 1 0.830 . . 1 . . . . 61 ALA HB1 . 16115 1 484 . 1 1 85 85 ALA HB2 H 1 0.830 . . 1 . . . . 61 ALA HB1 . 16115 1 485 . 1 1 85 85 ALA HB3 H 1 0.830 . . 1 . . . . 61 ALA HB1 . 16115 1 486 . 1 1 85 85 ALA CA C 13 53.900 . . 1 . . . . 61 ALA CA . 16115 1 487 . 1 1 85 85 ALA CB C 13 20.080 . . 1 . . . . 61 ALA CB . 16115 1 488 . 1 1 85 85 ALA N N 15 131.151 . . 1 . . . . 61 ALA N . 16115 1 489 . 1 1 90 90 GLY HA2 H 1 3.896 . . 2 . . . . 66 GLY HA1 . 16115 1 490 . 1 1 90 90 GLY HA3 H 1 3.011 . . 2 . . . . 66 GLY HA2 . 16115 1 491 . 1 1 90 90 GLY C C 13 174.212 . . 1 . . . . 66 GLY C . 16115 1 492 . 1 1 90 90 GLY CA C 13 45.065 . . 1 . . . . 66 GLY CA . 16115 1 493 . 1 1 91 91 LYS H H 1 7.950 . . 1 . . . . 67 LYS HN . 16115 1 494 . 1 1 91 91 LYS HA H 1 4.210 . . 1 . . . . 67 LYS HA . 16115 1 495 . 1 1 91 91 LYS HB2 H 1 1.570 . . 2 . . . . 67 LYS HB1 . 16115 1 496 . 1 1 91 91 LYS HE2 H 1 2.869 . . 2 . . . . 67 LYS HE1 . 16115 1 497 . 1 1 91 91 LYS HG2 H 1 1.160 . . 2 . . . . 67 LYS HG1 . 16115 1 498 . 1 1 91 91 LYS CA C 13 56.316 . . 1 . . . . 67 LYS CA . 16115 1 499 . 1 1 91 91 LYS CB C 13 32.877 . . 1 . . . . 67 LYS CB . 16115 1 500 . 1 1 91 91 LYS CD C 13 24.438 . . 1 . . . . 67 LYS CD . 16115 1 501 . 1 1 91 91 LYS CE C 13 42.252 . . 1 . . . . 67 LYS CE . 16115 1 502 . 1 1 91 91 LYS CG C 13 29.126 . . 1 . . . . 67 LYS CG . 16115 1 503 . 1 1 91 91 LYS N N 15 120.330 . . 1 . . . . 67 LYS N . 16115 1 504 . 1 1 92 92 PHE H H 1 8.260 . . 1 . . . . 68 PHE HN . 16115 1 505 . 1 1 92 92 PHE CA C 13 57.254 . . 1 . . . . 68 PHE CA . 16115 1 506 . 1 1 92 92 PHE CB C 13 39.440 . . 1 . . . . 68 PHE CB . 16115 1 507 . 1 1 92 92 PHE N N 15 119.726 . . 1 . . . . 68 PHE N . 16115 1 508 . 1 1 96 96 TYR HA H 1 5.346 . . 1 . . . . 72 TYR HA . 16115 1 509 . 1 1 96 96 TYR HB2 H 1 1.883 . . 2 . . . . 72 TYR HB1 . 16115 1 510 . 1 1 96 96 TYR HB3 H 1 1.571 . . 2 . . . . 72 TYR HB2 . 16115 1 511 . 1 1 96 96 TYR C C 13 177.420 . . 1 . . . . 72 TYR C . 16115 1 512 . 1 1 96 96 TYR CA C 13 62.879 . . 1 . . . . 72 TYR CA . 16115 1 513 . 1 1 96 96 TYR CB C 13 31.939 . . 1 . . . . 72 TYR CB . 16115 1 514 . 1 1 97 97 HIS H H 1 9.492 . . 1 . . . . 73 HIS HN . 16115 1 515 . 1 1 97 97 HIS HB2 H 1 3.020 . . 2 . . . . 73 HIS HB1 . 16115 1 516 . 1 1 97 97 HIS HB3 H 1 3.020 . . 2 . . . . 73 HIS HB2 . 16115 1 517 . 1 1 97 97 HIS CA C 13 52.566 . . 1 . . . . 73 HIS CA . 16115 1 518 . 1 1 97 97 HIS CB C 13 35.689 . . 1 . . . . 73 HIS CB . 16115 1 519 . 1 1 97 97 HIS N N 15 121.068 . . 1 . . . . 73 HIS N . 16115 1 520 . 1 1 100 100 ASN HA H 1 4.716 . . 1 . . . . 76 ASN HA . 16115 1 521 . 1 1 100 100 ASN HB2 H 1 2.792 . . 2 . . . . 76 ASN HB1 . 16115 1 522 . 1 1 100 100 ASN HB3 H 1 2.792 . . 2 . . . . 76 ASN HB2 . 16115 1 523 . 1 1 100 100 ASN C C 13 175.707 . . 1 . . . . 76 ASN C . 16115 1 524 . 1 1 100 100 ASN CA C 13 53.503 . . 1 . . . . 76 ASN CA . 16115 1 525 . 1 1 100 100 ASN CB C 13 38.502 . . 1 . . . . 76 ASN CB . 16115 1 526 . 1 1 101 101 GLY H H 1 8.283 . . 1 . . . . 77 GLY HN . 16115 1 527 . 1 1 101 101 GLY HA2 H 1 3.840 . . 2 . . . . 77 GLY HA1 . 16115 1 528 . 1 1 101 101 GLY HA3 H 1 4.000 . . 2 . . . . 77 GLY HA2 . 16115 1 529 . 1 1 101 101 GLY C C 13 173.699 . . 1 . . . . 77 GLY C . 16115 1 530 . 1 1 101 101 GLY CA C 13 45.065 . . 1 . . . . 77 GLY CA . 16115 1 531 . 1 1 101 101 GLY N N 15 109.225 . . 1 . . . . 77 GLY N . 16115 1 532 . 1 1 102 102 ALA H H 1 8.031 . . 1 . . . . 78 ALA HN . 16115 1 533 . 1 1 102 102 ALA HA H 1 4.340 . . 1 . . . . 78 ALA HA . 16115 1 534 . 1 1 102 102 ALA HB1 H 1 1.310 . . 1 . . . . 78 ALA HB1 . 16115 1 535 . 1 1 102 102 ALA HB2 H 1 1.310 . . 1 . . . . 78 ALA HB1 . 16115 1 536 . 1 1 102 102 ALA HB3 H 1 1.310 . . 1 . . . . 78 ALA HB1 . 16115 1 537 . 1 1 102 102 ALA C C 13 177.357 . . 1 . . . . 78 ALA C . 16115 1 538 . 1 1 102 102 ALA CA C 13 52.566 . . 1 . . . . 78 ALA CA . 16115 1 539 . 1 1 102 102 ALA CB C 13 19.690 . . 1 . . . . 78 ALA CB . 16115 1 540 . 1 1 102 102 ALA N N 15 123.489 . . 1 . . . . 78 ALA N . 16115 1 541 . 1 1 103 103 GLU H H 1 8.412 . . 1 . . . . 79 GLU HN . 16115 1 542 . 1 1 103 103 GLU HA H 1 4.267 . . 1 . . . . 79 GLU HA . 16115 1 543 . 1 1 103 103 GLU HB2 H 1 2.162 . . 2 . . . . 79 GLU HB1 . 16115 1 544 . 1 1 103 103 GLU C C 13 176.179 . . 1 . . . . 79 GLU C . 16115 1 545 . 1 1 103 103 GLU CA C 13 56.316 . . 1 . . . . 79 GLU CA . 16115 1 546 . 1 1 103 103 GLU CB C 13 30.064 . . 1 . . . . 79 GLU CB . 16115 1 547 . 1 1 103 103 GLU CG C 13 36.627 . . 1 . . . . 79 GLU CG . 16115 1 548 . 1 1 103 103 GLU N N 15 120.347 . . 1 . . . . 79 GLU N . 16115 1 549 . 1 1 104 104 VAL H H 1 8.309 . . 1 . . . . 80 VAL HN . 16115 1 550 . 1 1 104 104 VAL HA H 1 4.090 . . 1 . . . . 80 VAL HA . 16115 1 551 . 1 1 104 104 VAL HB H 1 1.882 . . 1 . . . . 80 VAL HB . 16115 1 552 . 1 1 104 104 VAL HG11 H 1 0.820 . . 2 . . . . 80 VAL HG11 . 16115 1 553 . 1 1 104 104 VAL HG12 H 1 0.820 . . 2 . . . . 80 VAL HG11 . 16115 1 554 . 1 1 104 104 VAL HG13 H 1 0.820 . . 2 . . . . 80 VAL HG11 . 16115 1 555 . 1 1 104 104 VAL HG21 H 1 0.710 . . 2 . . . . 80 VAL HG21 . 16115 1 556 . 1 1 104 104 VAL HG22 H 1 0.710 . . 2 . . . . 80 VAL HG21 . 16115 1 557 . 1 1 104 104 VAL HG23 H 1 0.710 . . 2 . . . . 80 VAL HG21 . 16115 1 558 . 1 1 104 104 VAL C C 13 175.561 . . 1 . . . . 80 VAL C . 16115 1 559 . 1 1 104 104 VAL CA C 13 61.942 . . 1 . . . . 80 VAL CA . 16115 1 560 . 1 1 104 104 VAL CB C 13 32.877 . . 1 . . . . 80 VAL CB . 16115 1 561 . 1 1 104 104 VAL CG1 C 13 20.688 . . 2 . . . . 80 VAL CG1 . 16115 1 562 . 1 1 104 104 VAL CG2 C 13 20.850 . . 1 . . . . 80 VAL CG2 . 16115 1 563 . 1 1 104 104 VAL N N 15 123.054 . . 1 . . . . 80 VAL N . 16115 1 564 . 1 1 105 105 VAL H H 1 8.201 . . 1 . . . . 81 VAL HN . 16115 1 565 . 1 1 105 105 VAL HA H 1 4.135 . . 1 . . . . 81 VAL HA . 16115 1 566 . 1 1 105 105 VAL HB H 1 1.891 . . 1 . . . . 81 VAL HB . 16115 1 567 . 1 1 105 105 VAL HG11 H 1 0.820 . . 2 . . . . 81 VAL HG11 . 16115 1 568 . 1 1 105 105 VAL HG12 H 1 0.820 . . 2 . . . . 81 VAL HG11 . 16115 1 569 . 1 1 105 105 VAL HG13 H 1 0.820 . . 2 . . . . 81 VAL HG11 . 16115 1 570 . 1 1 105 105 VAL C C 13 175.568 . . 1 . . . . 81 VAL C . 16115 1 571 . 1 1 105 105 VAL CA C 13 61.942 . . 1 . . . . 81 VAL CA . 16115 1 572 . 1 1 105 105 VAL CB C 13 32.877 . . 1 . . . . 81 VAL CB . 16115 1 573 . 1 1 105 105 VAL CG1 C 13 20.688 . . 2 . . . . 81 VAL CG1 . 16115 1 574 . 1 1 105 105 VAL N N 15 124.727 . . 1 . . . . 81 VAL N . 16115 1 575 . 1 1 106 106 GLU H H 1 8.456 . . 1 . . . . 82 GLU HN . 16115 1 576 . 1 1 106 106 GLU HA H 1 4.301 . . 1 . . . . 82 GLU HA . 16115 1 577 . 1 1 106 106 GLU HB2 H 1 2.132 . . 2 . . . . 82 GLU HB1 . 16115 1 578 . 1 1 106 106 GLU C C 13 175.654 . . 1 . . . . 82 GLU C . 16115 1 579 . 1 1 106 106 GLU CA C 13 61.942 . . 1 . . . . 82 GLU CA . 16115 1 580 . 1 1 106 106 GLU CB C 13 31.001 . . 1 . . . . 82 GLU CB . 16115 1 581 . 1 1 106 106 GLU N N 15 124.999 . . 1 . . . . 82 GLU N . 16115 1 582 . 1 1 107 107 TYR H H 1 8.235 . . 1 . . . . 83 TYR HN . 16115 1 583 . 1 1 107 107 TYR HA H 1 4.550 . . 1 . . . . 83 TYR HA . 16115 1 584 . 1 1 107 107 TYR HB2 H 1 2.980 . . 2 . . . . 83 TYR HB1 . 16115 1 585 . 1 1 107 107 TYR HB3 H 1 2.862 . . 2 . . . . 83 TYR HB2 . 16115 1 586 . 1 1 107 107 TYR HD1 H 1 7.046 . . 3 . . . . 83 TYR HD1 . 16115 1 587 . 1 1 107 107 TYR HE1 H 1 6.758 . . 2 . . . . 83 TYR HE1 . 16115 1 588 . 1 1 107 107 TYR C C 13 175.241 . . 1 . . . . 83 TYR C . 16115 1 589 . 1 1 107 107 TYR CA C 13 57.254 . . 1 . . . . 83 TYR CA . 16115 1 590 . 1 1 107 107 TYR CB C 13 39.440 . . 1 . . . . 83 TYR CB . 16115 1 591 . 1 1 107 107 TYR CE1 C 13 118.181 . . 2 . . . . 83 TYR CE1 . 16115 1 592 . 1 1 107 107 TYR N N 15 121.983 . . 1 . . . . 83 TYR N . 16115 1 593 . 1 1 108 108 ALA H H 1 8.337 . . 1 . . . . 84 ALA HN . 16115 1 594 . 1 1 108 108 ALA HA H 1 4.350 . . 1 . . . . 84 ALA HA . 16115 1 595 . 1 1 108 108 ALA HB1 H 1 1.307 . . 1 . . . . 84 ALA HB1 . 16115 1 596 . 1 1 108 108 ALA HB2 H 1 1.307 . . 1 . . . . 84 ALA HB1 . 16115 1 597 . 1 1 108 108 ALA HB3 H 1 1.307 . . 1 . . . . 84 ALA HB1 . 16115 1 598 . 1 1 108 108 ALA C C 13 177.210 . . 1 . . . . 84 ALA C . 16115 1 599 . 1 1 108 108 ALA CA C 13 52.566 . . 1 . . . . 84 ALA CA . 16115 1 600 . 1 1 108 108 ALA CB C 13 19.750 . . 1 . . . . 84 ALA CB . 16115 1 601 . 1 1 108 108 ALA N N 15 125.909 . . 1 . . . . 84 ALA N . 16115 1 602 . 1 1 109 109 VAL H H 1 8.182 . . 1 . . . . 85 VAL HN . 16115 1 603 . 1 1 109 109 VAL HA H 1 4.161 . . 1 . . . . 85 VAL HA . 16115 1 604 . 1 1 109 109 VAL HB H 1 1.989 . . 1 . . . . 85 VAL HB . 16115 1 605 . 1 1 109 109 VAL HG11 H 1 0.860 . . 2 . . . . 85 VAL HG11 . 16115 1 606 . 1 1 109 109 VAL HG12 H 1 0.860 . . 2 . . . . 85 VAL HG11 . 16115 1 607 . 1 1 109 109 VAL HG13 H 1 0.860 . . 2 . . . . 85 VAL HG11 . 16115 1 608 . 1 1 109 109 VAL C C 13 176.353 . . 1 . . . . 85 VAL C . 16115 1 609 . 1 1 109 109 VAL CA C 13 61.942 . . 1 . . . . 85 VAL CA . 16115 1 610 . 1 1 109 109 VAL CB C 13 32.877 . . 1 . . . . 85 VAL CB . 16115 1 611 . 1 1 109 109 VAL CG1 C 13 20.670 . . 1 . . . . 85 VAL CG1 . 16115 1 612 . 1 1 109 109 VAL N N 15 119.743 . . 1 . . . . 85 VAL N . 16115 1 613 . 1 1 110 110 THR H H 1 8.285 . . 1 . . . . 86 THR HN . 16115 1 614 . 1 1 110 110 THR HA H 1 4.390 . . 1 . . . . 86 THR HA . 16115 1 615 . 1 1 110 110 THR HG21 H 1 1.187 . . 1 . . . . 86 THR HG21 . 16115 1 616 . 1 1 110 110 THR HG22 H 1 1.187 . . 1 . . . . 86 THR HG21 . 16115 1 617 . 1 1 110 110 THR HG23 H 1 1.187 . . 1 . . . . 86 THR HG21 . 16115 1 618 . 1 1 110 110 THR C C 13 174.368 . . 1 . . . . 86 THR C . 16115 1 619 . 1 1 110 110 THR CA C 13 61.942 . . 1 . . . . 86 THR CA . 16115 1 620 . 1 1 110 110 THR CB C 13 69.442 . . 1 . . . . 86 THR CB . 16115 1 621 . 1 1 110 110 THR CG2 C 13 21.626 . . 1 . . . . 86 THR CG2 . 16115 1 622 . 1 1 110 110 THR N N 15 118.383 . . 1 . . . . 86 THR N . 16115 1 623 . 1 1 111 111 GLN H H 1 66.542 . . 1 . . . . 87 GLN HN . 16115 1 624 . 1 1 111 111 GLN CA C 13 54.441 . . 1 . . . . 87 GLN CA . 16115 1 625 . 1 1 111 111 GLN CB C 13 30.064 . . 1 . . . . 87 GLN CB . 16115 1 626 . 1 1 112 112 GLU HA H 1 4.385 . . 1 . . . . 88 GLU HA . 16115 1 627 . 1 1 112 112 GLU HB2 H 1 2.272 . . 2 . . . . 88 GLU HB1 . 16115 1 628 . 1 1 112 112 GLU C C 13 176.355 . . 1 . . . . 88 GLU C . 16115 1 629 . 1 1 112 112 GLU CA C 13 56.316 . . 1 . . . . 88 GLU CA . 16115 1 630 . 1 1 112 112 GLU CB C 13 30.064 . . 1 . . . . 88 GLU CB . 16115 1 631 . 1 1 112 112 GLU CG C 13 36.627 . . 1 . . . . 88 GLU CG . 16115 1 632 . 1 1 113 113 SER H H 1 8.615 . . 1 . . . . 89 SER HN . 16115 1 633 . 1 1 113 113 SER HA H 1 4.556 . . 1 . . . . 89 SER HA . 16115 1 634 . 1 1 113 113 SER HB2 H 1 3.952 . . 2 . . . . 89 SER HB1 . 16115 1 635 . 1 1 113 113 SER HB3 H 1 3.952 . . 2 . . . . 89 SER HB2 . 16115 1 636 . 1 1 113 113 SER C C 13 172.892 . . 1 . . . . 89 SER C . 16115 1 637 . 1 1 113 113 SER CA C 13 58.191 . . 1 . . . . 89 SER CA . 16115 1 638 . 1 1 113 113 SER CB C 13 63.817 . . 1 . . . . 89 SER CB . 16115 1 639 . 1 1 113 113 SER N N 15 117.158 . . 1 . . . . 89 SER N . 16115 1 640 . 1 1 114 114 LYS H H 1 7.948 . . 1 . . . . 90 LYS HN . 16115 1 641 . 1 1 114 114 LYS HB2 H 1 2.040 . . 2 . . . . 90 LYS HB1 . 16115 1 642 . 1 1 114 114 LYS HB3 H 1 2.270 . . 2 . . . . 90 LYS HB2 . 16115 1 643 . 1 1 114 114 LYS HD2 H 1 0.850 . . 2 . . . . 90 LYS HD2 . 16115 1 644 . 1 1 114 114 LYS HG2 H 1 1.220 . . 2 . . . . 90 LYS HG1 . 16115 1 645 . 1 1 114 114 LYS HG3 H 1 1.620 . . 2 . . . . 90 LYS HG2 . 16115 1 646 . 1 1 114 114 LYS C C 13 175.636 . . 1 . . . . 90 LYS C . 16115 1 647 . 1 1 114 114 LYS CA C 13 55.379 . . 1 . . . . 90 LYS CA . 16115 1 648 . 1 1 114 114 LYS CB C 13 34.752 . . 1 . . . . 90 LYS CB . 16115 1 649 . 1 1 114 114 LYS CD C 13 24.000 . . 1 . . . . 90 LYS CD . 16115 1 650 . 1 1 114 114 LYS CE C 13 42.252 . . 1 . . . . 90 LYS CE . 16115 1 651 . 1 1 114 114 LYS CG C 13 29.126 . . 1 . . . . 90 LYS CG . 16115 1 652 . 1 1 114 114 LYS N N 15 122.248 . . 1 . . . . 90 LYS N . 16115 1 653 . 1 1 115 115 ILE H H 1 8.916 . . 1 . . . . 91 ILE HN . 16115 1 654 . 1 1 115 115 ILE HA H 1 5.420 . . 1 . . . . 91 ILE HA . 16115 1 655 . 1 1 115 115 ILE HB H 1 2.781 . . 1 . . . . 91 ILE HB . 16115 1 656 . 1 1 115 115 ILE HD11 H 1 0.680 . . 1 . . . . 91 ILE HD11 . 16115 1 657 . 1 1 115 115 ILE HD12 H 1 0.680 . . 1 . . . . 91 ILE HD11 . 16115 1 658 . 1 1 115 115 ILE HD13 H 1 0.680 . . 1 . . . . 91 ILE HD11 . 16115 1 659 . 1 1 115 115 ILE HG21 H 1 1.504 . . 4 . . . . 91 ILE HG21 . 16115 1 660 . 1 1 115 115 ILE HG22 H 1 1.504 . . 4 . . . . 91 ILE HG21 . 16115 1 661 . 1 1 115 115 ILE HG23 H 1 1.504 . . 4 . . . . 91 ILE HG21 . 16115 1 662 . 1 1 115 115 ILE C C 13 173.949 . . 1 . . . . 91 ILE C . 16115 1 663 . 1 1 115 115 ILE CA C 13 60.067 . . 1 . . . . 91 ILE CA . 16115 1 664 . 1 1 115 115 ILE CB C 13 42.252 . . 1 . . . . 91 ILE CB . 16115 1 665 . 1 1 115 115 ILE CD1 C 13 13.650 . . 1 . . . . 91 ILE CD1 . 16115 1 666 . 1 1 115 115 ILE CG1 C 13 25.376 . . 2 . . . . 91 ILE CG1 . 16115 1 667 . 1 1 115 115 ILE CG2 C 13 19.750 . . 2 . . . . 91 ILE CG2 . 16115 1 668 . 1 1 115 115 ILE N N 15 117.923 . . 1 . . . . 91 ILE N . 16115 1 669 . 1 1 116 116 THR H H 1 8.426 . . 1 . . . . 92 THR HN . 16115 1 670 . 1 1 116 116 THR HA H 1 5.300 . . 1 . . . . 92 THR HA . 16115 1 671 . 1 1 116 116 THR HG21 H 1 0.956 . . 1 . . . . 92 THR HG21 . 16115 1 672 . 1 1 116 116 THR HG22 H 1 0.956 . . 1 . . . . 92 THR HG21 . 16115 1 673 . 1 1 116 116 THR HG23 H 1 0.956 . . 1 . . . . 92 THR HG21 . 16115 1 674 . 1 1 116 116 THR C C 13 174.416 . . 1 . . . . 92 THR C . 16115 1 675 . 1 1 116 116 THR CA C 13 61.942 . . 1 . . . . 92 THR CA . 16115 1 676 . 1 1 116 116 THR CB C 13 70.380 . . 1 . . . . 92 THR CB . 16115 1 677 . 1 1 116 116 THR CG2 C 13 21.110 . . 1 . . . . 92 THR CG2 . 16115 1 678 . 1 1 116 116 THR N N 15 121.178 . . 1 . . . . 92 THR N . 16115 1 679 . 1 1 117 117 VAL H H 1 8.674 . . 1 . . . . 93 VAL HN . 16115 1 680 . 1 1 117 117 VAL HA H 1 4.717 . . 1 . . . . 93 VAL HA . 16115 1 681 . 1 1 117 117 VAL HB H 1 2.157 . . 1 . . . . 93 VAL HB . 16115 1 682 . 1 1 117 117 VAL HG11 H 1 0.701 . . 2 . . . . 93 VAL HG11 . 16115 1 683 . 1 1 117 117 VAL HG12 H 1 0.701 . . 2 . . . . 93 VAL HG11 . 16115 1 684 . 1 1 117 117 VAL HG13 H 1 0.701 . . 2 . . . . 93 VAL HG11 . 16115 1 685 . 1 1 117 117 VAL HG21 H 1 0.444 . . 4 . . . . 93 VAL HG21 . 16115 1 686 . 1 1 117 117 VAL HG22 H 1 0.444 . . 4 . . . . 93 VAL HG21 . 16115 1 687 . 1 1 117 117 VAL HG23 H 1 0.444 . . 4 . . . . 93 VAL HG21 . 16115 1 688 . 1 1 117 117 VAL C C 13 175.580 . . 1 . . . . 93 VAL C . 16115 1 689 . 1 1 117 117 VAL CA C 13 58.191 . . 1 . . . . 93 VAL CA . 16115 1 690 . 1 1 117 117 VAL CB C 13 35.689 . . 1 . . . . 93 VAL CB . 16115 1 691 . 1 1 117 117 VAL CG1 C 13 22.107 . . 1 . . . . 93 VAL CG1 . 16115 1 692 . 1 1 117 117 VAL CG2 C 13 18.340 . . 1 . . . . 93 VAL CG2 . 16115 1 693 . 1 1 117 117 VAL N N 15 119.086 . . 1 . . . . 93 VAL N . 16115 1 694 . 1 1 118 118 PHE H H 1 8.921 . . 1 . . . . 94 PHE HN . 16115 1 695 . 1 1 118 118 PHE HA H 1 4.936 . . 1 . . . . 94 PHE HA . 16115 1 696 . 1 1 118 118 PHE HB2 H 1 3.392 . . 2 . . . . 94 PHE HB1 . 16115 1 697 . 1 1 118 118 PHE HB3 H 1 2.848 . . 2 . . . . 94 PHE HB2 . 16115 1 698 . 1 1 118 118 PHE HD1 H 1 7.450 . . 3 . . . . 94 PHE HD1 . 16115 1 699 . 1 1 118 118 PHE C C 13 177.696 . . 1 . . . . 94 PHE C . 16115 1 700 . 1 1 118 118 PHE CA C 13 58.610 . . 1 . . . . 94 PHE CA . 16115 1 701 . 1 1 118 118 PHE CB C 13 39.440 . . 1 . . . . 94 PHE CB . 16115 1 702 . 1 1 118 118 PHE CD1 C 13 132.173 . . 3 . . . . 94 PHE CD1 . 16115 1 703 . 1 1 118 118 PHE N N 15 119.675 . . 1 . . . . 94 PHE N . 16115 1 704 . 1 1 119 119 TRP H H 1 9.144 . . 1 . . . . 95 TRP HN . 16115 1 705 . 1 1 119 119 TRP HA H 1 4.890 . . 1 . . . . 95 TRP HA . 16115 1 706 . 1 1 119 119 TRP HB2 H 1 4.015 . . 2 . . . . 95 TRP HB1 . 16115 1 707 . 1 1 119 119 TRP HB3 H 1 3.376 . . 2 . . . . 95 TRP HB2 . 16115 1 708 . 1 1 119 119 TRP HD1 H 1 7.090 . . 1 . . . . 95 TRP HD1 . 16115 1 709 . 1 1 119 119 TRP HE1 H 1 9.475 . . 2 . . . . 95 TRP HE1 . 16115 1 710 . 1 1 119 119 TRP HE3 H 1 7.220 . . 3 . . . . 95 TRP HE3 . 16115 1 711 . 1 1 119 119 TRP HH2 H 1 6.752 . . 1 . . . . 95 TRP HH2 . 16115 1 712 . 1 1 119 119 TRP HZ2 H 1 7.014 . . 2 . . . . 95 TRP HZ2 . 16115 1 713 . 1 1 119 119 TRP HZ3 H 1 6.563 . . 2 . . . . 95 TRP HZ3 . 16115 1 714 . 1 1 119 119 TRP C C 13 177.851 . . 1 . . . . 95 TRP C . 16115 1 715 . 1 1 119 119 TRP CA C 13 60.840 . . 1 . . . . 95 TRP CA . 16115 1 716 . 1 1 119 119 TRP CB C 13 29.400 . . 1 . . . . 95 TRP CB . 16115 1 717 . 1 1 119 119 TRP CD1 C 13 127.113 . . 2 . . . . 95 TRP CD1 . 16115 1 718 . 1 1 119 119 TRP CE3 C 13 120.420 . . 3 . . . . 95 TRP CE3 . 16115 1 719 . 1 1 119 119 TRP CH2 C 13 122.877 . . 1 . . . . 95 TRP CH2 . 16115 1 720 . 1 1 119 119 TRP CZ2 C 13 114.830 . . 2 . . . . 95 TRP CZ2 . 16115 1 721 . 1 1 119 119 TRP CZ3 C 13 120.422 . . 2 . . . . 95 TRP CZ3 . 16115 1 722 . 1 1 119 119 TRP N N 15 125.052 . . 1 . . . . 95 TRP N . 16115 1 723 . 1 1 119 119 TRP NE1 N 15 127.980 . . 1 . . . . 95 TRP NE1 . 16115 1 724 . 1 1 120 120 LYS H H 1 8.732 . . 1 . . . . 96 LYS HN . 16115 1 725 . 1 1 120 120 LYS HA H 1 4.120 . . 1 . . . . 96 LYS HA . 16115 1 726 . 1 1 120 120 LYS HB2 H 1 1.918 . . 2 . . . . 96 LYS HB1 . 16115 1 727 . 1 1 120 120 LYS HD2 H 1 1.391 . . 2 . . . . 96 LYS HD1 . 16115 1 728 . 1 1 120 120 LYS HD3 H 1 1.430 . . 2 . . . . 96 LYS HD2 . 16115 1 729 . 1 1 120 120 LYS HG2 H 1 1.653 . . 2 . . . . 96 LYS HG1 . 16115 1 730 . 1 1 120 120 LYS C C 13 176.638 . . 1 . . . . 96 LYS C . 16115 1 731 . 1 1 120 120 LYS CA C 13 57.254 . . 1 . . . . 96 LYS CA . 16115 1 732 . 1 1 120 120 LYS CB C 13 31.939 . . 1 . . . . 96 LYS CB . 16115 1 733 . 1 1 120 120 LYS CD C 13 24.438 . . 1 . . . . 96 LYS CD . 16115 1 734 . 1 1 120 120 LYS CE C 13 42.252 . . 1 . . . . 96 LYS CE . 16115 1 735 . 1 1 120 120 LYS CG C 13 29.126 . . 1 . . . . 96 LYS CG . 16115 1 736 . 1 1 120 120 LYS N N 15 113.095 . . 1 . . . . 96 LYS N . 16115 1 737 . 1 1 121 121 GLU H H 1 8.063 . . 1 . . . . 97 GLU HN . 16115 1 738 . 1 1 121 121 GLU HA H 1 4.096 . . 1 . . . . 97 GLU HA . 16115 1 739 . 1 1 121 121 GLU HB2 H 1 2.260 . . 2 . . . . 97 GLU HB1 . 16115 1 740 . 1 1 121 121 GLU HB3 H 1 2.160 . . 2 . . . . 97 GLU HB2 . 16115 1 741 . 1 1 121 121 GLU HG2 H 1 2.340 . . 2 . . . . 97 GLU HG1 . 16115 1 742 . 1 1 121 121 GLU HG3 H 1 2.340 . . 2 . . . . 97 GLU HG2 . 16115 1 743 . 1 1 121 121 GLU C C 13 176.578 . . 1 . . . . 97 GLU C . 16115 1 744 . 1 1 121 121 GLU CA C 13 57.254 . . 1 . . . . 97 GLU CA . 16115 1 745 . 1 1 121 121 GLU CB C 13 30.064 . . 1 . . . . 97 GLU CB . 16115 1 746 . 1 1 121 121 GLU CG C 13 38.502 . . 1 . . . . 97 GLU CG . 16115 1 747 . 1 1 121 121 GLU N N 15 118.514 . . 1 . . . . 97 GLU N . 16115 1 748 . 1 1 122 122 LEU H H 1 7.130 . . 1 . . . . 98 LEU HN . 16115 1 749 . 1 1 122 122 LEU HA H 1 4.110 . . 1 . . . . 98 LEU HA . 16115 1 750 . 1 1 122 122 LEU HB2 H 1 1.130 . . 2 . . . . 98 LEU HB1 . 16115 1 751 . 1 1 122 122 LEU HB3 H 1 0.555 . . 2 . . . . 98 LEU HB2 . 16115 1 752 . 1 1 122 122 LEU HD11 H 1 0.010 . . 4 . . . . 98 LEU HD11 . 16115 1 753 . 1 1 122 122 LEU HD12 H 1 0.010 . . 4 . . . . 98 LEU HD11 . 16115 1 754 . 1 1 122 122 LEU HD13 H 1 0.010 . . 4 . . . . 98 LEU HD11 . 16115 1 755 . 1 1 122 122 LEU HD21 H 1 -0.272 . . 4 . . . . 98 LEU HD21 . 16115 1 756 . 1 1 122 122 LEU HD22 H 1 -0.272 . . 4 . . . . 98 LEU HD21 . 16115 1 757 . 1 1 122 122 LEU HD23 H 1 -0.272 . . 4 . . . . 98 LEU HD21 . 16115 1 758 . 1 1 122 122 LEU C C 13 176.185 . . 1 . . . . 98 LEU C . 16115 1 759 . 1 1 122 122 LEU CA C 13 54.441 . . 1 . . . . 98 LEU CA . 16115 1 760 . 1 1 122 122 LEU CB C 13 41.315 . . 1 . . . . 98 LEU CB . 16115 1 761 . 1 1 122 122 LEU CD1 C 13 22.563 . . 1 . . . . 98 LEU CD1 . 16115 1 762 . 1 1 122 122 LEU CD2 C 13 25.376 . . 1 . . . . 98 LEU CD2 . 16115 1 763 . 1 1 122 122 LEU N N 15 117.060 . . 1 . . . . 98 LEU N . 16115 1 764 . 1 1 123 123 ILE H H 1 8.784 . . 1 . . . . 99 ILE HN . 16115 1 765 . 1 1 123 123 ILE HA H 1 3.965 . . 1 . . . . 99 ILE HA . 16115 1 766 . 1 1 123 123 ILE HB H 1 1.543 . . 1 . . . . 99 ILE HB . 16115 1 767 . 1 1 123 123 ILE HD11 H 1 0.680 . . 1 . . . . 99 ILE HD11 . 16115 1 768 . 1 1 123 123 ILE HD12 H 1 0.680 . . 1 . . . . 99 ILE HD11 . 16115 1 769 . 1 1 123 123 ILE HD13 H 1 0.680 . . 1 . . . . 99 ILE HD11 . 16115 1 770 . 1 1 123 123 ILE HG21 H 1 0.749 . . 2 . . . . 99 ILE HG21 . 16115 1 771 . 1 1 123 123 ILE HG22 H 1 0.749 . . 2 . . . . 99 ILE HG21 . 16115 1 772 . 1 1 123 123 ILE HG23 H 1 0.749 . . 2 . . . . 99 ILE HG21 . 16115 1 773 . 1 1 123 123 ILE C C 13 174.405 . . 1 . . . . 99 ILE C . 16115 1 774 . 1 1 123 123 ILE CA C 13 60.067 . . 1 . . . . 99 ILE CA . 16115 1 775 . 1 1 123 123 ILE CB C 13 37.564 . . 1 . . . . 99 ILE CB . 16115 1 776 . 1 1 123 123 ILE CD1 C 13 12.250 . . 1 . . . . 99 ILE CD1 . 16115 1 777 . 1 1 123 123 ILE CG1 C 13 27.251 . . 2 . . . . 99 ILE CG1 . 16115 1 778 . 1 1 123 123 ILE CG2 C 13 16.938 . . 2 . . . . 99 ILE CG2 . 16115 1 779 . 1 1 123 123 ILE N N 15 125.602 . . 1 . . . . 99 ILE N . 16115 1 780 . 1 1 124 124 ASP H H 1 8.764 . . 1 . . . . 100 ASP HN . 16115 1 781 . 1 1 124 124 ASP HA H 1 4.240 . . 1 . . . . 100 ASP HA . 16115 1 782 . 1 1 124 124 ASP HB2 H 1 3.060 . . 2 . . . . 100 ASP HB1 . 16115 1 783 . 1 1 124 124 ASP HB3 H 1 3.660 . . 2 . . . . 100 ASP HB2 . 16115 1 784 . 1 1 124 124 ASP CA C 13 54.441 . . 1 . . . . 100 ASP CA . 16115 1 785 . 1 1 124 124 ASP CB C 13 41.315 . . 1 . . . . 100 ASP CB . 16115 1 786 . 1 1 124 124 ASP N N 15 124.213 . . 1 . . . . 100 ASP N . 16115 1 787 . 1 1 125 125 PRO HA H 1 4.376 . . 1 . . . . 101 PRO HA . 16115 1 788 . 1 1 125 125 PRO HB2 H 1 2.718 . . 2 . . . . 101 PRO HB1 . 16115 1 789 . 1 1 125 125 PRO HD2 H 1 3.611 . . 2 . . . . 101 PRO HD1 . 16115 1 790 . 1 1 125 125 PRO HD3 H 1 3.787 . . 2 . . . . 101 PRO HD2 . 16115 1 791 . 1 1 125 125 PRO HG2 H 1 1.908 . . 2 . . . . 101 PRO HG1 . 16115 1 792 . 1 1 125 125 PRO C C 13 176.812 . . 1 . . . . 101 PRO C . 16115 1 793 . 1 1 125 125 PRO CA C 13 62.879 . . 1 . . . . 101 PRO CA . 16115 1 794 . 1 1 125 125 PRO CB C 13 31.939 . . 1 . . . . 101 PRO CB . 16115 1 795 . 1 1 125 125 PRO CD C 13 50.691 . . 1 . . . . 101 PRO CD . 16115 1 796 . 1 1 125 125 PRO CG C 13 27.251 . . 1 . . . . 101 PRO CG . 16115 1 797 . 1 1 126 126 ARG H H 1 8.512 . . 1 . . . . 102 ARG HN . 16115 1 798 . 1 1 126 126 ARG HA H 1 4.360 . . 1 . . . . 102 ARG HA . 16115 1 799 . 1 1 126 126 ARG HB2 H 1 1.820 . . 2 . . . . 102 ARG HB1 . 16115 1 800 . 1 1 126 126 ARG HB3 H 1 1.820 . . 2 . . . . 102 ARG HB2 . 16115 1 801 . 1 1 126 126 ARG CA C 13 56.316 . . 1 . . . . 102 ARG CA . 16115 1 802 . 1 1 126 126 ARG CB C 13 31.001 . . 1 . . . . 102 ARG CB . 16115 1 803 . 1 1 126 126 ARG N N 15 121.996 . . 1 . . . . 102 ARG N . 16115 1 804 . 1 1 127 127 LEU HA H 1 4.031 . . 1 . . . . 103 LEU HA . 16115 1 805 . 1 1 127 127 LEU HB2 H 1 1.662 . . 2 . . . . 103 LEU HB1 . 16115 1 806 . 1 1 127 127 LEU HD11 H 1 0.780 . . 4 . . . . 103 LEU HD11 . 16115 1 807 . 1 1 127 127 LEU HD12 H 1 0.780 . . 4 . . . . 103 LEU HD11 . 16115 1 808 . 1 1 127 127 LEU HD13 H 1 0.780 . . 4 . . . . 103 LEU HD11 . 16115 1 809 . 1 1 127 127 LEU CA C 13 61.942 . . 1 . . . . 103 LEU CA . 16115 1 810 . 1 1 127 127 LEU CB C 13 36.627 . . 1 . . . . 103 LEU CB . 16115 1 811 . 1 1 127 127 LEU CD1 C 13 17.875 . . 2 . . . . 103 LEU CD1 . 16115 1 812 . 1 1 127 127 LEU CD2 C 13 13.187 . . 2 . . . . 103 LEU CD2 . 16115 1 813 . 1 1 127 127 LEU CG C 13 28.189 . . 1 . . . . 103 LEU CG . 16115 1 814 . 1 1 128 128 ILE H H 1 7.404 . . 1 . . . . 104 ILE HN . 16115 1 815 . 1 1 128 128 ILE HA H 1 4.267 . . 1 . . . . 104 ILE HA . 16115 1 816 . 1 1 128 128 ILE HB H 1 1.802 . . 1 . . . . 104 ILE HB . 16115 1 817 . 1 1 128 128 ILE HD11 H 1 0.900 . . 1 . . . . 104 ILE HD11 . 16115 1 818 . 1 1 128 128 ILE HD12 H 1 0.900 . . 1 . . . . 104 ILE HD11 . 16115 1 819 . 1 1 128 128 ILE HD13 H 1 0.900 . . 1 . . . . 104 ILE HD11 . 16115 1 820 . 1 1 128 128 ILE HG12 H 1 1.463 . . 9 . . . . 104 ILE HG11 . 16115 1 821 . 1 1 128 128 ILE HG21 H 1 0.908 . . 2 . . . . 104 ILE HG21 . 16115 1 822 . 1 1 128 128 ILE HG22 H 1 0.908 . . 2 . . . . 104 ILE HG21 . 16115 1 823 . 1 1 128 128 ILE HG23 H 1 0.908 . . 2 . . . . 104 ILE HG21 . 16115 1 824 . 1 1 128 128 ILE C C 13 175.027 . . 1 . . . . 104 ILE C . 16115 1 825 . 1 1 128 128 ILE CA C 13 61.004 . . 1 . . . . 104 ILE CA . 16115 1 826 . 1 1 128 128 ILE CB C 13 39.440 . . 1 . . . . 104 ILE CB . 16115 1 827 . 1 1 128 128 ILE CD1 C 13 13.180 . . 1 . . . . 104 ILE CD1 . 16115 1 828 . 1 1 128 128 ILE CG1 C 13 27.251 . . 2 . . . . 104 ILE CG1 . 16115 1 829 . 1 1 128 128 ILE CG2 C 13 17.380 . . 1 . . . . 104 ILE CG2 . 16115 1 830 . 1 1 128 128 ILE N N 15 126.363 . . 1 . . . . 104 ILE N . 16115 1 831 . 1 1 129 129 ILE H H 1 8.717 . . 1 . . . . 105 ILE HN . 16115 1 832 . 1 1 129 129 ILE HA H 1 4.260 . . 1 . . . . 105 ILE HA . 16115 1 833 . 1 1 129 129 ILE HB H 1 1.920 . . 1 . . . . 105 ILE HB . 16115 1 834 . 1 1 129 129 ILE HD11 H 1 0.820 . . 1 . . . . 105 ILE HD11 . 16115 1 835 . 1 1 129 129 ILE HD12 H 1 0.820 . . 1 . . . . 105 ILE HD11 . 16115 1 836 . 1 1 129 129 ILE HD13 H 1 0.820 . . 1 . . . . 105 ILE HD11 . 16115 1 837 . 1 1 129 129 ILE HG21 H 1 0.833 . . 2 . . . . 105 ILE HG21 . 16115 1 838 . 1 1 129 129 ILE HG22 H 1 0.833 . . 2 . . . . 105 ILE HG21 . 16115 1 839 . 1 1 129 129 ILE HG23 H 1 0.833 . . 2 . . . . 105 ILE HG21 . 16115 1 840 . 1 1 129 129 ILE C C 13 175.983 . . 1 . . . . 105 ILE C . 16115 1 841 . 1 1 129 129 ILE CA C 13 56.316 . . 1 . . . . 105 ILE CA . 16115 1 842 . 1 1 129 129 ILE CB C 13 31.001 . . 1 . . . . 105 ILE CB . 16115 1 843 . 1 1 129 129 ILE CD1 C 13 12.610 . . 1 . . . . 105 ILE CD1 . 16115 1 844 . 1 1 129 129 ILE CG2 C 13 17.244 . . 1 . . . . 105 ILE CG2 . 16115 1 845 . 1 1 129 129 ILE N N 15 126.023 . . 1 . . . . 105 ILE N . 16115 1 846 . 1 1 130 130 GLU H H 1 8.717 . . 1 . . . . 106 GLU HN . 16115 1 847 . 1 1 130 130 GLU N N 15 126.023 . . 1 . . . . 106 GLU N . 16115 1 848 . 1 1 140 140 PRO HA H 1 4.374 . . 1 . . . . 116 PRO HA . 16115 1 849 . 1 1 140 140 PRO HB2 H 1 2.256 . . 2 . . . . 116 PRO HB1 . 16115 1 850 . 1 1 140 140 PRO HD2 H 1 3.742 . . 2 . . . . 116 PRO HD1 . 16115 1 851 . 1 1 140 140 PRO HG2 H 1 1.989 . . 2 . . . . 116 PRO HG1 . 16115 1 852 . 1 1 140 140 PRO C C 13 175.718 . . 1 . . . . 116 PRO C . 16115 1 853 . 1 1 140 140 PRO CA C 13 62.879 . . 1 . . . . 116 PRO CA . 16115 1 854 . 1 1 140 140 PRO CB C 13 31.939 . . 1 . . . . 116 PRO CB . 16115 1 855 . 1 1 140 140 PRO CD C 13 50.691 . . 1 . . . . 116 PRO CD . 16115 1 856 . 1 1 140 140 PRO CG C 13 27.251 . . 1 . . . . 116 PRO CG . 16115 1 857 . 1 1 141 141 ALA H H 1 69.229 . . 1 . . . . 117 ALA HN . 16115 1 858 . 1 1 141 141 ALA CA C 13 53.503 . . 1 . . . . 117 ALA CA . 16115 1 859 . 1 1 141 141 ALA CB C 13 20.688 . . 1 . . . . 117 ALA CB . 16115 1 stop_ save_