data_19311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19311 _Entry.Title ; Chemical shifts and structural restraints for Saccharomyces cerevisiae Est3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-21 _Entry.Accession_date 2013-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Timsi Rao . . . 19311 2 Geoffrey Armstrong . S. . 19311 3 Deborah Wuttke . S. . 19311 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' 'Accelerated Technologies Center for Gene to 3D Structure' . 19311 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 19311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 568 19311 '15N chemical shifts' 151 19311 '1H chemical shifts' 352 19311 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-06-25 update BMRB 'update entry citation' 19311 1 . . 2013-12-16 2013-06-25 original author 'original release' 19311 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19311 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24344315 _Citation.Full_citation . _Citation.Title 'Structure of Est3 reveals a bimodal surface with differential roles in telomere replication.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 111 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 214 _Citation.Page_last 218 _Citation.Year 2014 _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 Timsi Rao . . . 19311 1 2 Johnathan Lubin . W. . 19311 1 3 Geoffrey Armstrong . S. . 19311 1 4 Timothy Tucey . M. . 19311 1 5 Victoria Lundblad . . . 19311 1 6 Deborah Wuttke . S. . 19311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19311 _Assembly.ID 1 _Assembly.Name 'Saccharomyces cerevisiae Est3 protein' _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 'Est3 protein' 1 $entity A . yes native no no . . . 19311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; STDSVFLQPWIKALIEDNSE HDQYHPSGHVIPSLTKQDLA LPHMSPTILTNPCHFAKITK FYNVCDYKVYASIRDSSHQI LVEFSQECVSNFERTHNCRI TSETTNCLMIIGDADLVYVT NSRAMSHFKISLSNISSKEI VPVLNVNQATIFDIDQVGSL STFPFVYKYL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-12 were deleted from S. cerevisiae Est3 protein sequence. First serine was part of the cleaved affinity tag.' _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C142S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19297.996 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M9V . "Structure Of Saccharomyces Cerevisiae Est3 Protein" . . . . . 100.00 170 100.00 100.00 2.47e-121 . . . . 19311 1 2 no DBJ GAA24105 . "K7_Est3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 99.41 181 99.41 99.41 1.13e-119 . . . . 19311 1 3 no GB AHY75987 . "Est3p [Saccharomyces cerevisiae YJM993]" . . . . . 99.41 181 97.04 98.22 4.71e-117 . . . . 19311 1 4 no GB AJR36748 . "Est3p [Saccharomyces cerevisiae YJM189]" . . . . . 99.41 181 97.63 98.82 9.56e-118 . . . . 19311 1 5 no GB AJR36943 . "Est3p [Saccharomyces cerevisiae YJM193]" . . . . . 99.41 181 97.04 98.22 5.68e-117 . . . . 19311 1 6 no GB AJR37282 . "Est3p [Saccharomyces cerevisiae YJM244]" . . . . . 99.41 181 97.04 98.22 4.71e-117 . . . . 19311 1 7 no GB AJR37668 . "Est3p [Saccharomyces cerevisiae YJM270]" . . . . . 99.41 181 97.63 98.82 9.56e-118 . . . . 19311 1 8 no REF NP_012256 . "telomerase subunit EST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.41 181 99.41 99.41 1.13e-119 . . . . 19311 1 9 no SP Q03096 . "RecName: Full=Telomere replication protein EST3; AltName: Full=Ever shorter telomeres protein 3" . . . . . 99.41 181 99.41 99.41 1.13e-119 . . . . 19311 1 10 no TPG DAA08536 . "TPA: telomerase subunit EST3 [Saccharomyces cerevisiae S288c]" . . . . . 99.41 181 99.41 99.41 1.13e-119 . . . . 19311 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 12 SER . 19311 1 2 13 THR . 19311 1 3 14 ASP . 19311 1 4 15 SER . 19311 1 5 16 VAL . 19311 1 6 17 PHE . 19311 1 7 18 LEU . 19311 1 8 19 GLN . 19311 1 9 20 PRO . 19311 1 10 21 TRP . 19311 1 11 22 ILE . 19311 1 12 23 LYS . 19311 1 13 24 ALA . 19311 1 14 25 LEU . 19311 1 15 26 ILE . 19311 1 16 27 GLU . 19311 1 17 28 ASP . 19311 1 18 29 ASN . 19311 1 19 30 SER . 19311 1 20 31 GLU . 19311 1 21 32 HIS . 19311 1 22 33 ASP . 19311 1 23 34 GLN . 19311 1 24 35 TYR . 19311 1 25 36 HIS . 19311 1 26 37 PRO . 19311 1 27 38 SER . 19311 1 28 39 GLY . 19311 1 29 40 HIS . 19311 1 30 41 VAL . 19311 1 31 42 ILE . 19311 1 32 43 PRO . 19311 1 33 44 SER . 19311 1 34 45 LEU . 19311 1 35 46 THR . 19311 1 36 47 LYS . 19311 1 37 48 GLN . 19311 1 38 49 ASP . 19311 1 39 50 LEU . 19311 1 40 51 ALA . 19311 1 41 52 LEU . 19311 1 42 53 PRO . 19311 1 43 54 HIS . 19311 1 44 55 MET . 19311 1 45 56 SER . 19311 1 46 57 PRO . 19311 1 47 58 THR . 19311 1 48 59 ILE . 19311 1 49 60 LEU . 19311 1 50 61 THR . 19311 1 51 62 ASN . 19311 1 52 63 PRO . 19311 1 53 64 CYS . 19311 1 54 65 HIS . 19311 1 55 66 PHE . 19311 1 56 67 ALA . 19311 1 57 68 LYS . 19311 1 58 69 ILE . 19311 1 59 70 THR . 19311 1 60 71 LYS . 19311 1 61 72 PHE . 19311 1 62 73 TYR . 19311 1 63 74 ASN . 19311 1 64 75 VAL . 19311 1 65 76 CYS . 19311 1 66 77 ASP . 19311 1 67 78 TYR . 19311 1 68 79 LYS . 19311 1 69 80 VAL . 19311 1 70 81 TYR . 19311 1 71 82 ALA . 19311 1 72 83 SER . 19311 1 73 84 ILE . 19311 1 74 85 ARG . 19311 1 75 86 ASP . 19311 1 76 87 SER . 19311 1 77 88 SER . 19311 1 78 89 HIS . 19311 1 79 90 GLN . 19311 1 80 91 ILE . 19311 1 81 92 LEU . 19311 1 82 93 VAL . 19311 1 83 94 GLU . 19311 1 84 95 PHE . 19311 1 85 96 SER . 19311 1 86 97 GLN . 19311 1 87 98 GLU . 19311 1 88 99 CYS . 19311 1 89 100 VAL . 19311 1 90 101 SER . 19311 1 91 102 ASN . 19311 1 92 103 PHE . 19311 1 93 104 GLU . 19311 1 94 105 ARG . 19311 1 95 106 THR . 19311 1 96 107 HIS . 19311 1 97 108 ASN . 19311 1 98 109 CYS . 19311 1 99 110 ARG . 19311 1 100 111 ILE . 19311 1 101 112 THR . 19311 1 102 113 SER . 19311 1 103 114 GLU . 19311 1 104 115 THR . 19311 1 105 116 THR . 19311 1 106 117 ASN . 19311 1 107 118 CYS . 19311 1 108 119 LEU . 19311 1 109 120 MET . 19311 1 110 121 ILE . 19311 1 111 122 ILE . 19311 1 112 123 GLY . 19311 1 113 124 ASP . 19311 1 114 125 ALA . 19311 1 115 126 ASP . 19311 1 116 127 LEU . 19311 1 117 128 VAL . 19311 1 118 129 TYR . 19311 1 119 130 VAL . 19311 1 120 131 THR . 19311 1 121 132 ASN . 19311 1 122 133 SER . 19311 1 123 134 ARG . 19311 1 124 135 ALA . 19311 1 125 136 MET . 19311 1 126 137 SER . 19311 1 127 138 HIS . 19311 1 128 139 PHE . 19311 1 129 140 LYS . 19311 1 130 141 ILE . 19311 1 131 142 SER . 19311 1 132 143 LEU . 19311 1 133 144 SER . 19311 1 134 145 ASN . 19311 1 135 146 ILE . 19311 1 136 147 SER . 19311 1 137 148 SER . 19311 1 138 149 LYS . 19311 1 139 150 GLU . 19311 1 140 151 ILE . 19311 1 141 152 VAL . 19311 1 142 153 PRO . 19311 1 143 154 VAL . 19311 1 144 155 LEU . 19311 1 145 156 ASN . 19311 1 146 157 VAL . 19311 1 147 158 ASN . 19311 1 148 159 GLN . 19311 1 149 160 ALA . 19311 1 150 161 THR . 19311 1 151 162 ILE . 19311 1 152 163 PHE . 19311 1 153 164 ASP . 19311 1 154 165 ILE . 19311 1 155 166 ASP . 19311 1 156 167 GLN . 19311 1 157 168 VAL . 19311 1 158 169 GLY . 19311 1 159 170 SER . 19311 1 160 171 LEU . 19311 1 161 172 SER . 19311 1 162 173 THR . 19311 1 163 174 PHE . 19311 1 164 175 PRO . 19311 1 165 176 PHE . 19311 1 166 177 VAL . 19311 1 167 178 TYR . 19311 1 168 179 LYS . 19311 1 169 180 TYR . 19311 1 170 181 LEU . 19311 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 . SER 1 1 19311 1 . THR 2 2 19311 1 . ASP 3 3 19311 1 . SER 4 4 19311 1 . VAL 5 5 19311 1 . PHE 6 6 19311 1 . LEU 7 7 19311 1 . GLN 8 8 19311 1 . PRO 9 9 19311 1 . TRP 10 10 19311 1 . ILE 11 11 19311 1 . LYS 12 12 19311 1 . ALA 13 13 19311 1 . LEU 14 14 19311 1 . ILE 15 15 19311 1 . GLU 16 16 19311 1 . ASP 17 17 19311 1 . ASN 18 18 19311 1 . SER 19 19 19311 1 . GLU 20 20 19311 1 . HIS 21 21 19311 1 . ASP 22 22 19311 1 . GLN 23 23 19311 1 . TYR 24 24 19311 1 . HIS 25 25 19311 1 . PRO 26 26 19311 1 . SER 27 27 19311 1 . GLY 28 28 19311 1 . HIS 29 29 19311 1 . VAL 30 30 19311 1 . ILE 31 31 19311 1 . PRO 32 32 19311 1 . SER 33 33 19311 1 . LEU 34 34 19311 1 . THR 35 35 19311 1 . LYS 36 36 19311 1 . GLN 37 37 19311 1 . ASP 38 38 19311 1 . LEU 39 39 19311 1 . ALA 40 40 19311 1 . LEU 41 41 19311 1 . PRO 42 42 19311 1 . HIS 43 43 19311 1 . MET 44 44 19311 1 . SER 45 45 19311 1 . PRO 46 46 19311 1 . THR 47 47 19311 1 . ILE 48 48 19311 1 . LEU 49 49 19311 1 . THR 50 50 19311 1 . ASN 51 51 19311 1 . PRO 52 52 19311 1 . CYS 53 53 19311 1 . HIS 54 54 19311 1 . PHE 55 55 19311 1 . ALA 56 56 19311 1 . LYS 57 57 19311 1 . ILE 58 58 19311 1 . THR 59 59 19311 1 . LYS 60 60 19311 1 . PHE 61 61 19311 1 . TYR 62 62 19311 1 . ASN 63 63 19311 1 . VAL 64 64 19311 1 . CYS 65 65 19311 1 . ASP 66 66 19311 1 . TYR 67 67 19311 1 . LYS 68 68 19311 1 . VAL 69 69 19311 1 . TYR 70 70 19311 1 . ALA 71 71 19311 1 . SER 72 72 19311 1 . ILE 73 73 19311 1 . ARG 74 74 19311 1 . ASP 75 75 19311 1 . SER 76 76 19311 1 . SER 77 77 19311 1 . HIS 78 78 19311 1 . GLN 79 79 19311 1 . ILE 80 80 19311 1 . LEU 81 81 19311 1 . VAL 82 82 19311 1 . GLU 83 83 19311 1 . PHE 84 84 19311 1 . SER 85 85 19311 1 . GLN 86 86 19311 1 . GLU 87 87 19311 1 . CYS 88 88 19311 1 . VAL 89 89 19311 1 . SER 90 90 19311 1 . ASN 91 91 19311 1 . PHE 92 92 19311 1 . GLU 93 93 19311 1 . ARG 94 94 19311 1 . THR 95 95 19311 1 . HIS 96 96 19311 1 . ASN 97 97 19311 1 . CYS 98 98 19311 1 . ARG 99 99 19311 1 . ILE 100 100 19311 1 . THR 101 101 19311 1 . SER 102 102 19311 1 . GLU 103 103 19311 1 . THR 104 104 19311 1 . THR 105 105 19311 1 . ASN 106 106 19311 1 . CYS 107 107 19311 1 . LEU 108 108 19311 1 . MET 109 109 19311 1 . ILE 110 110 19311 1 . ILE 111 111 19311 1 . GLY 112 112 19311 1 . ASP 113 113 19311 1 . ALA 114 114 19311 1 . ASP 115 115 19311 1 . LEU 116 116 19311 1 . VAL 117 117 19311 1 . TYR 118 118 19311 1 . VAL 119 119 19311 1 . THR 120 120 19311 1 . ASN 121 121 19311 1 . SER 122 122 19311 1 . ARG 123 123 19311 1 . ALA 124 124 19311 1 . MET 125 125 19311 1 . SER 126 126 19311 1 . HIS 127 127 19311 1 . PHE 128 128 19311 1 . LYS 129 129 19311 1 . ILE 130 130 19311 1 . SER 131 131 19311 1 . LEU 132 132 19311 1 . SER 133 133 19311 1 . ASN 134 134 19311 1 . ILE 135 135 19311 1 . SER 136 136 19311 1 . SER 137 137 19311 1 . LYS 138 138 19311 1 . GLU 139 139 19311 1 . ILE 140 140 19311 1 . VAL 141 141 19311 1 . PRO 142 142 19311 1 . VAL 143 143 19311 1 . LEU 144 144 19311 1 . ASN 145 145 19311 1 . VAL 146 146 19311 1 . ASN 147 147 19311 1 . GLN 148 148 19311 1 . ALA 149 149 19311 1 . THR 150 150 19311 1 . ILE 151 151 19311 1 . PHE 152 152 19311 1 . ASP 153 153 19311 1 . ILE 154 154 19311 1 . ASP 155 155 19311 1 . GLN 156 156 19311 1 . VAL 157 157 19311 1 . GLY 158 158 19311 1 . SER 159 159 19311 1 . LEU 160 160 19311 1 . SER 161 161 19311 1 . THR 162 162 19311 1 . PHE 163 163 19311 1 . PRO 164 164 19311 1 . PHE 165 165 19311 1 . VAL 166 166 19311 1 . TYR 167 167 19311 1 . LYS 168 168 19311 1 . TYR 169 169 19311 1 . LEU 170 170 19311 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 19311 _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 $entity . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19311 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 19311 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28b . . . . . . 19311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19311 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein was 2H,15N,13C labeled. Sample concentration was 280 uM.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Est3 protein' '[U-13C; U-15N; U-2H]' . . 1 $entity . . 280 . . uM . . . . 19311 1 2 'Bis tris propane' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 1 3 MOPS 'natural abundance' . . . . . . 150 . . mM . . . . 19311 1 4 'sodium sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 1 5 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 19311 1 6 glutamate 'natural abundance' . . . . . . 100 . . mM . . . . 19311 1 7 NDSB-195 'natural abundance' . . . . . . 100 . . mM . . . . 19311 1 8 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19311 1 9 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19311 1 10 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19311 1 11 TSP 'natural abundance' . . . . . . 0.15 . . mM . . . . 19311 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19311 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein was 15N labeled. Sample concentration was 140 uM.' _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 'Est3 protein' [U-15N] . . 1 $entity . . 140 . . uM . . . . 19311 2 2 'Bis tris propane' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 2 3 MOPS 'natural abundance' . . . . . . 150 . . mM . . . . 19311 2 4 'sodium sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 2 5 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 19311 2 6 glutamate 'natural abundance' . . . . . . 100 . . mM . . . . 19311 2 7 NDSB-195 'natural abundance' . . . . . . 100 . . mM . . . . 19311 2 8 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19311 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19311 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19311 2 11 'Pf1 phage' 'natural abundance' . . . . . . 9.6 . . mg/mL . . . . 19311 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19311 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein was 15N labeled. Sample concentration was 140 uM.' _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 'Est3 protein' [U-15N] . . 1 $entity . . 140 . . uM . . . . 19311 3 2 'Bis tris propane' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 3 3 MOPS 'natural abundance' . . . . . . 150 . . mM . . . . 19311 3 4 'sodium sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 3 5 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 19311 3 6 glutamate 'natural abundance' . . . . . . 100 . . mM . . . . 19311 3 7 NDSB-195 'natural abundance' . . . . . . 100 . . mM . . . . 19311 3 8 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19311 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19311 3 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19311 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19311 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein was selectively protonated for Ile, Leu, Val methyl protons in 2H,15N,13C labelled background. Sample concentration was 280 uM.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Est3 protein' '[U-13C; U-15N; U-2H]' . . 1 $entity . . 280 . . uM . . . . 19311 4 2 'Bis tris propane' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 4 3 MOPS 'natural abundance' . . . . . . 150 . . mM . . . . 19311 4 4 'sodium sulfate' 'natural abundance' . . . . . . 50 . . mM . . . . 19311 4 5 arginine 'natural abundance' . . . . . . 100 . . mM . . . . 19311 4 6 glutamate 'natural abundance' . . . . . . 100 . . mM . . . . 19311 4 7 NDSB-195 'natural abundance' . . . . . . 100 . . mM . . . . 19311 4 8 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19311 4 9 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19311 4 10 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19311 4 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 19311 _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 pH 7.1 . pH 19311 1 pressure 1 . atm 19311 1 temperature 298 . K 19311 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19311 _Software.ID 1 _Software.Name VNMRJ _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19311 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 19311 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19311 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19311 2 'data analysis' 19311 2 'peak picking' 19311 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19311 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2011 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19311 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19311 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19311 _Software.ID 4 _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' . . 19311 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Constraints list generation for structure solution' 19311 4 stop_ save_ save_Rosetta _Software.Sf_category software _Software.Sf_framecode Rosetta _Software.Entry_ID 19311 _Software.ID 5 _Software.Name Rosetta _Software.Version 3.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David Baker' . . 19311 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19311 5 stop_ save_ save_CS-Rosetta_toolbox _Software.Sf_category software _Software.Sf_framecode CS-Rosetta_toolbox _Software.Entry_ID 19311 _Software.ID 6 _Software.Name CS-Rosetta_toolbox _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David Baker' . . 19311 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19311 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19311 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.29 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19311 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure and constraints validation' 19311 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 19311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_900_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900_MHz _NMR_spectrometer.Entry_ID 19311 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19311 _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 1 800_MHz Varian VNMRS . 800 . . . 19311 1 2 900_MHz Agilent DD2 . 900 . . . 19311 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 19311 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was calculated by a combination of NOE and Residual dipolar coupling' 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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 2 '3D HNCA TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 3 '3D HN(CA)CB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 4 '3D HN(CO)CA TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 5 '3D HN(COCA)CB TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 6 '3D HNCO TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $900_MHz . . . . . . . . . . . . . . . . 19311 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 9 '3D HMCMCBCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 10 '3D HMCMCGCBCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 11 '3D methyl 1H-1H 13C HMQC NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 13 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 1 15 '2D 1H-15N HSQC TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $800_MHz . . . . . . . . . . . . . . . . 19311 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 19311 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19311 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19311 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19311 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 19311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.009 _Assigned_chem_shift_list.Chem_shift_13C_err 0.23 _Assigned_chem_shift_list.Chem_shift_15N_err 0.16 _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 'Calculated from spectrum resolution' _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 TROSY' 1 $sample_1 . 19311 1 2 '3D HNCA TROSY' 1 $sample_1 . 19311 1 3 '3D HN(CA)CB TROSY' 1 $sample_1 . 19311 1 4 '3D HN(CO)CA TROSY' 1 $sample_1 . 19311 1 5 '3D HN(COCA)CB TROSY' 1 $sample_1 . 19311 1 6 '3D HNCO TROSY' 1 $sample_1 . 19311 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' 1 0.056 0.004 19311 1 'TROSY offset' 'amide nitrogens' 15 -0.63 0.01 19311 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 2 2 THR C C 13 174.300 0.000 . 1 . . . A 13 THR C . 19311 1 2 . 1 1 2 2 THR CA C 13 61.472 0.000 . 1 . . . A 13 THR CA . 19311 1 3 . 1 1 2 2 THR CB C 13 69.201 0.000 . 1 . . . A 13 THR CB . 19311 1 4 . 1 1 3 3 ASP H H 1 8.321 0.004 . 1 . . . A 14 ASP H . 19311 1 5 . 1 1 3 3 ASP C C 13 176.245 0.000 . 1 . . . A 14 ASP C . 19311 1 6 . 1 1 3 3 ASP CA C 13 53.996 0.061 . 1 . . . A 14 ASP CA . 19311 1 7 . 1 1 3 3 ASP CB C 13 41.601 0.002 . 1 . . . A 14 ASP CB . 19311 1 8 . 1 1 3 3 ASP N N 15 123.228 0.455 . 1 . . . A 14 ASP N . 19311 1 9 . 1 1 4 4 SER H H 1 8.403 0.011 . 1 . . . A 15 SER H . 19311 1 10 . 1 1 4 4 SER C C 13 175.991 0.000 . 1 . . . A 15 SER C . 19311 1 11 . 1 1 4 4 SER CA C 13 58.020 0.023 . 1 . . . A 15 SER CA . 19311 1 12 . 1 1 4 4 SER CB C 13 63.080 0.026 . 1 . . . A 15 SER CB . 19311 1 13 . 1 1 4 4 SER N N 15 115.463 0.616 . 1 . . . A 15 SER N . 19311 1 14 . 1 1 5 5 VAL H H 1 8.139 0.016 . 1 . . . A 16 VAL H . 19311 1 15 . 1 1 5 5 VAL HG11 H 1 0.531 0.017 . 2 . . . A 16 VAL HG11 . 19311 1 16 . 1 1 5 5 VAL HG12 H 1 0.531 0.017 . 2 . . . A 16 VAL HG12 . 19311 1 17 . 1 1 5 5 VAL HG13 H 1 0.531 0.017 . 2 . . . A 16 VAL HG13 . 19311 1 18 . 1 1 5 5 VAL HG21 H 1 0.542 0.018 . 2 . . . A 16 VAL HG21 . 19311 1 19 . 1 1 5 5 VAL HG22 H 1 0.542 0.018 . 2 . . . A 16 VAL HG22 . 19311 1 20 . 1 1 5 5 VAL HG23 H 1 0.542 0.018 . 2 . . . A 16 VAL HG23 . 19311 1 21 . 1 1 5 5 VAL C C 13 176.097 0.000 . 1 . . . A 16 VAL C . 19311 1 22 . 1 1 5 5 VAL CA C 13 62.750 0.012 . 1 . . . A 16 VAL CA . 19311 1 23 . 1 1 5 5 VAL CB C 13 30.859 0.121 . 1 . . . A 16 VAL CB . 19311 1 24 . 1 1 5 5 VAL CG1 C 13 20.150 0.012 . 2 . . . A 16 VAL CG1 . 19311 1 25 . 1 1 5 5 VAL CG2 C 13 19.437 0.015 . 2 . . . A 16 VAL CG2 . 19311 1 26 . 1 1 5 5 VAL N N 15 124.538 0.648 . 1 . . . A 16 VAL N . 19311 1 27 . 1 1 6 6 PHE H H 1 7.575 0.011 . 1 . . . A 17 PHE H . 19311 1 28 . 1 1 6 6 PHE C C 13 176.086 0.000 . 1 . . . A 17 PHE C . 19311 1 29 . 1 1 6 6 PHE CA C 13 58.934 0.003 . 1 . . . A 17 PHE CA . 19311 1 30 . 1 1 6 6 PHE CB C 13 38.133 0.074 . 1 . . . A 17 PHE CB . 19311 1 31 . 1 1 6 6 PHE N N 15 119.242 0.642 . 1 . . . A 17 PHE N . 19311 1 32 . 1 1 7 7 LEU H H 1 7.586 0.010 . 1 . . . A 18 LEU H . 19311 1 33 . 1 1 7 7 LEU HD11 H 1 0.676 0.017 . 2 . . . A 18 LEU HD11 . 19311 1 34 . 1 1 7 7 LEU HD12 H 1 0.676 0.017 . 2 . . . A 18 LEU HD12 . 19311 1 35 . 1 1 7 7 LEU HD13 H 1 0.676 0.017 . 2 . . . A 18 LEU HD13 . 19311 1 36 . 1 1 7 7 LEU HD21 H 1 0.885 0.019 . 2 . . . A 18 LEU HD21 . 19311 1 37 . 1 1 7 7 LEU HD22 H 1 0.885 0.019 . 2 . . . A 18 LEU HD22 . 19311 1 38 . 1 1 7 7 LEU HD23 H 1 0.885 0.019 . 2 . . . A 18 LEU HD23 . 19311 1 39 . 1 1 7 7 LEU C C 13 173.871 0.000 . 1 . . . A 18 LEU C . 19311 1 40 . 1 1 7 7 LEU CA C 13 54.048 0.108 . 1 . . . A 18 LEU CA . 19311 1 41 . 1 1 7 7 LEU CB C 13 41.529 0.053 . 1 . . . A 18 LEU CB . 19311 1 42 . 1 1 7 7 LEU CG C 13 26.129 0.090 . 1 . . . A 18 LEU CG . 19311 1 43 . 1 1 7 7 LEU CD1 C 13 24.705 0.020 . 2 . . . A 18 LEU CD1 . 19311 1 44 . 1 1 7 7 LEU CD2 C 13 24.777 0.007 . 2 . . . A 18 LEU CD2 . 19311 1 45 . 1 1 7 7 LEU N N 15 121.292 0.558 . 1 . . . A 18 LEU N . 19311 1 46 . 1 1 8 8 GLN H H 1 8.893 0.014 . 1 . . . A 19 GLN H . 19311 1 47 . 1 1 8 8 GLN CA C 13 53.131 0.000 . 1 . . . A 19 GLN CA . 19311 1 48 . 1 1 8 8 GLN CB C 13 30.299 0.000 . 1 . . . A 19 GLN CB . 19311 1 49 . 1 1 8 8 GLN N N 15 128.124 0.570 . 1 . . . A 19 GLN N . 19311 1 50 . 1 1 9 9 PRO C C 13 176.974 0.000 . 1 . . . A 20 PRO C . 19311 1 51 . 1 1 9 9 PRO CA C 13 62.459 0.000 . 1 . . . A 20 PRO CA . 19311 1 52 . 1 1 9 9 PRO CB C 13 29.693 0.000 . 1 . . . A 20 PRO CB . 19311 1 53 . 1 1 10 10 TRP H H 1 9.813 0.015 . 1 . . . A 21 TRP H . 19311 1 54 . 1 1 10 10 TRP C C 13 176.624 0.000 . 1 . . . A 21 TRP C . 19311 1 55 . 1 1 10 10 TRP CA C 13 58.241 0.031 . 1 . . . A 21 TRP CA . 19311 1 56 . 1 1 10 10 TRP CB C 13 31.457 0.034 . 1 . . . A 21 TRP CB . 19311 1 57 . 1 1 10 10 TRP N N 15 126.042 0.629 . 1 . . . A 21 TRP N . 19311 1 58 . 1 1 11 11 ILE H H 1 8.438 0.016 . 1 . . . A 22 ILE H . 19311 1 59 . 1 1 11 11 ILE HD11 H 1 0.118 0.017 . 1 . . . A 22 ILE HD11 . 19311 1 60 . 1 1 11 11 ILE HD12 H 1 0.118 0.017 . 1 . . . A 22 ILE HD12 . 19311 1 61 . 1 1 11 11 ILE HD13 H 1 0.118 0.017 . 1 . . . A 22 ILE HD13 . 19311 1 62 . 1 1 11 11 ILE C C 13 176.776 0.000 . 1 . . . A 22 ILE C . 19311 1 63 . 1 1 11 11 ILE CA C 13 66.628 0.053 . 1 . . . A 22 ILE CA . 19311 1 64 . 1 1 11 11 ILE CB C 13 37.455 0.072 . 1 . . . A 22 ILE CB . 19311 1 65 . 1 1 11 11 ILE CG1 C 13 25.873 0.000 . 1 . . . A 22 ILE CG1 . 19311 1 66 . 1 1 11 11 ILE CD1 C 13 14.043 0.026 . 1 . . . A 22 ILE CD1 . 19311 1 67 . 1 1 11 11 ILE N N 15 128.281 0.612 . 1 . . . A 22 ILE N . 19311 1 68 . 1 1 12 12 LYS H H 1 9.062 0.013 . 1 . . . A 23 LYS H . 19311 1 69 . 1 1 12 12 LYS C C 13 177.812 0.000 . 1 . . . A 23 LYS C . 19311 1 70 . 1 1 12 12 LYS CA C 13 60.467 0.028 . 1 . . . A 23 LYS CA . 19311 1 71 . 1 1 12 12 LYS CB C 13 31.055 0.049 . 1 . . . A 23 LYS CB . 19311 1 72 . 1 1 12 12 LYS N N 15 121.661 0.678 . 1 . . . A 23 LYS N . 19311 1 73 . 1 1 13 13 ALA H H 1 8.447 0.014 . 1 . . . A 24 ALA H . 19311 1 74 . 1 1 13 13 ALA C C 13 179.285 0.000 . 1 . . . A 24 ALA C . 19311 1 75 . 1 1 13 13 ALA CA C 13 54.076 0.032 . 1 . . . A 24 ALA CA . 19311 1 76 . 1 1 13 13 ALA CB C 13 17.220 0.031 . 1 . . . A 24 ALA CB . 19311 1 77 . 1 1 13 13 ALA N N 15 120.454 0.647 . 1 . . . A 24 ALA N . 19311 1 78 . 1 1 14 14 LEU H H 1 8.071 0.013 . 1 . . . A 25 LEU H . 19311 1 79 . 1 1 14 14 LEU HD11 H 1 0.942 0.018 . 2 . . . A 25 LEU HD11 . 19311 1 80 . 1 1 14 14 LEU HD12 H 1 0.942 0.018 . 2 . . . A 25 LEU HD12 . 19311 1 81 . 1 1 14 14 LEU HD13 H 1 0.942 0.018 . 2 . . . A 25 LEU HD13 . 19311 1 82 . 1 1 14 14 LEU HD21 H 1 1.023 0.018 . 2 . . . A 25 LEU HD21 . 19311 1 83 . 1 1 14 14 LEU HD22 H 1 1.023 0.018 . 2 . . . A 25 LEU HD22 . 19311 1 84 . 1 1 14 14 LEU HD23 H 1 1.023 0.018 . 2 . . . A 25 LEU HD23 . 19311 1 85 . 1 1 14 14 LEU C C 13 180.269 0.000 . 1 . . . A 25 LEU C . 19311 1 86 . 1 1 14 14 LEU CA C 13 58.102 0.095 . 1 . . . A 25 LEU CA . 19311 1 87 . 1 1 14 14 LEU CB C 13 41.636 0.054 . 1 . . . A 25 LEU CB . 19311 1 88 . 1 1 14 14 LEU CG C 13 26.315 0.111 . 1 . . . A 25 LEU CG . 19311 1 89 . 1 1 14 14 LEU CD1 C 13 25.951 0.021 . 2 . . . A 25 LEU CD1 . 19311 1 90 . 1 1 14 14 LEU CD2 C 13 25.167 0.027 . 2 . . . A 25 LEU CD2 . 19311 1 91 . 1 1 14 14 LEU N N 15 120.482 0.581 . 1 . . . A 25 LEU N . 19311 1 92 . 1 1 15 15 ILE H H 1 8.158 0.015 . 1 . . . A 26 ILE H . 19311 1 93 . 1 1 15 15 ILE HD11 H 1 0.716 0.018 . 1 . . . A 26 ILE HD11 . 19311 1 94 . 1 1 15 15 ILE HD12 H 1 0.716 0.018 . 1 . . . A 26 ILE HD12 . 19311 1 95 . 1 1 15 15 ILE HD13 H 1 0.716 0.018 . 1 . . . A 26 ILE HD13 . 19311 1 96 . 1 1 15 15 ILE C C 13 179.617 0.000 . 1 . . . A 26 ILE C . 19311 1 97 . 1 1 15 15 ILE CA C 13 63.547 0.042 . 1 . . . A 26 ILE CA . 19311 1 98 . 1 1 15 15 ILE CB C 13 35.786 0.114 . 1 . . . A 26 ILE CB . 19311 1 99 . 1 1 15 15 ILE CG1 C 13 27.620 0.000 . 1 . . . A 26 ILE CG1 . 19311 1 100 . 1 1 15 15 ILE CD1 C 13 13.091 0.032 . 1 . . . A 26 ILE CD1 . 19311 1 101 . 1 1 15 15 ILE N N 15 119.868 0.637 . 1 . . . A 26 ILE N . 19311 1 102 . 1 1 16 16 GLU H H 1 8.543 0.014 . 1 . . . A 27 GLU H . 19311 1 103 . 1 1 16 16 GLU C C 13 179.103 0.000 . 1 . . . A 27 GLU C . 19311 1 104 . 1 1 16 16 GLU CA C 13 59.138 0.012 . 1 . . . A 27 GLU CA . 19311 1 105 . 1 1 16 16 GLU CB C 13 28.461 0.038 . 1 . . . A 27 GLU CB . 19311 1 106 . 1 1 16 16 GLU N N 15 122.067 0.559 . 1 . . . A 27 GLU N . 19311 1 107 . 1 1 17 17 ASP H H 1 8.396 0.015 . 1 . . . A 28 ASP H . 19311 1 108 . 1 1 17 17 ASP C C 13 176.992 0.000 . 1 . . . A 28 ASP C . 19311 1 109 . 1 1 17 17 ASP CA C 13 55.657 0.032 . 1 . . . A 28 ASP CA . 19311 1 110 . 1 1 17 17 ASP CB C 13 40.403 0.047 . 1 . . . A 28 ASP CB . 19311 1 111 . 1 1 17 17 ASP N N 15 119.228 0.627 . 1 . . . A 28 ASP N . 19311 1 112 . 1 1 18 18 ASN H H 1 7.536 0.012 . 1 . . . A 29 ASN H . 19311 1 113 . 1 1 18 18 ASN C C 13 174.277 0.000 . 1 . . . A 29 ASN C . 19311 1 114 . 1 1 18 18 ASN CA C 13 53.694 0.037 . 1 . . . A 29 ASN CA . 19311 1 115 . 1 1 18 18 ASN CB C 13 40.069 0.026 . 1 . . . A 29 ASN CB . 19311 1 116 . 1 1 18 18 ASN N N 15 117.545 0.677 . 1 . . . A 29 ASN N . 19311 1 117 . 1 1 19 19 SER H H 1 7.704 0.013 . 1 . . . A 30 SER H . 19311 1 118 . 1 1 19 19 SER C C 13 173.942 0.000 . 1 . . . A 30 SER C . 19311 1 119 . 1 1 19 19 SER CA C 13 58.804 0.018 . 1 . . . A 30 SER CA . 19311 1 120 . 1 1 19 19 SER CB C 13 63.838 0.049 . 1 . . . A 30 SER CB . 19311 1 121 . 1 1 19 19 SER N N 15 115.444 0.641 . 1 . . . A 30 SER N . 19311 1 122 . 1 1 20 20 GLU H H 1 8.287 0.012 . 1 . . . A 31 GLU H . 19311 1 123 . 1 1 20 20 GLU C C 13 176.234 0.000 . 1 . . . A 31 GLU C . 19311 1 124 . 1 1 20 20 GLU CA C 13 55.633 0.056 . 1 . . . A 31 GLU CA . 19311 1 125 . 1 1 20 20 GLU CB C 13 29.619 0.033 . 1 . . . A 31 GLU CB . 19311 1 126 . 1 1 20 20 GLU N N 15 122.456 0.664 . 1 . . . A 31 GLU N . 19311 1 127 . 1 1 21 21 HIS H H 1 8.207 0.003 . 1 . . . A 32 HIS H . 19311 1 128 . 1 1 21 21 HIS C C 13 174.779 0.000 . 1 . . . A 32 HIS C . 19311 1 129 . 1 1 21 21 HIS CA C 13 56.355 0.013 . 1 . . . A 32 HIS CA . 19311 1 130 . 1 1 21 21 HIS CB C 13 29.467 0.005 . 1 . . . A 32 HIS CB . 19311 1 131 . 1 1 21 21 HIS N N 15 120.953 0.489 . 1 . . . A 32 HIS N . 19311 1 132 . 1 1 22 22 ASP H H 1 8.256 0.011 . 1 . . . A 33 ASP H . 19311 1 133 . 1 1 22 22 ASP C C 13 175.225 0.000 . 1 . . . A 33 ASP C . 19311 1 134 . 1 1 22 22 ASP CA C 13 54.277 0.000 . 1 . . . A 33 ASP CA . 19311 1 135 . 1 1 22 22 ASP CB C 13 40.007 0.060 . 1 . . . A 33 ASP CB . 19311 1 136 . 1 1 22 22 ASP N N 15 120.471 0.592 . 1 . . . A 33 ASP N . 19311 1 137 . 1 1 23 23 GLN H H 1 7.854 0.005 . 1 . . . A 34 GLN H . 19311 1 138 . 1 1 23 23 GLN C C 13 175.275 0.000 . 1 . . . A 34 GLN C . 19311 1 139 . 1 1 23 23 GLN CA C 13 55.388 0.041 . 1 . . . A 34 GLN CA . 19311 1 140 . 1 1 23 23 GLN CB C 13 28.586 0.045 . 1 . . . A 34 GLN CB . 19311 1 141 . 1 1 23 23 GLN N N 15 118.522 0.511 . 1 . . . A 34 GLN N . 19311 1 142 . 1 1 24 24 TYR H H 1 8.072 0.012 . 1 . . . A 35 TYR H . 19311 1 143 . 1 1 24 24 TYR C C 13 174.882 0.000 . 1 . . . A 35 TYR C . 19311 1 144 . 1 1 24 24 TYR CA C 13 56.752 0.025 . 1 . . . A 35 TYR CA . 19311 1 145 . 1 1 24 24 TYR CB C 13 36.712 0.029 . 1 . . . A 35 TYR CB . 19311 1 146 . 1 1 24 24 TYR N N 15 120.831 0.448 . 1 . . . A 35 TYR N . 19311 1 147 . 1 1 25 25 HIS H H 1 7.788 0.015 . 1 . . . A 36 HIS H . 19311 1 148 . 1 1 25 25 HIS CA C 13 53.280 0.000 . 1 . . . A 36 HIS CA . 19311 1 149 . 1 1 25 25 HIS CB C 13 29.223 0.000 . 1 . . . A 36 HIS CB . 19311 1 150 . 1 1 25 25 HIS N N 15 121.429 0.606 . 1 . . . A 36 HIS N . 19311 1 151 . 1 1 26 26 PRO C C 13 177.021 0.000 . 1 . . . A 37 PRO C . 19311 1 152 . 1 1 26 26 PRO CA C 13 62.947 0.000 . 1 . . . A 37 PRO CA . 19311 1 153 . 1 1 26 26 PRO CB C 13 31.735 0.000 . 1 . . . A 37 PRO CB . 19311 1 154 . 1 1 27 27 SER H H 1 8.808 0.010 . 1 . . . A 38 SER H . 19311 1 155 . 1 1 27 27 SER C C 13 174.281 0.000 . 1 . . . A 38 SER C . 19311 1 156 . 1 1 27 27 SER CA C 13 57.494 0.001 . 1 . . . A 38 SER CA . 19311 1 157 . 1 1 27 27 SER CB C 13 63.795 0.008 . 1 . . . A 38 SER CB . 19311 1 158 . 1 1 27 27 SER N N 15 117.550 0.588 . 1 . . . A 38 SER N . 19311 1 159 . 1 1 28 28 GLY H H 1 8.564 0.010 . 1 . . . A 39 GLY H . 19311 1 160 . 1 1 28 28 GLY C C 13 173.690 0.000 . 1 . . . A 39 GLY C . 19311 1 161 . 1 1 28 28 GLY CA C 13 44.463 0.030 . 1 . . . A 39 GLY CA . 19311 1 162 . 1 1 28 28 GLY N N 15 113.547 0.577 . 1 . . . A 39 GLY N . 19311 1 163 . 1 1 29 29 HIS H H 1 9.071 0.018 . 1 . . . A 40 HIS H . 19311 1 164 . 1 1 29 29 HIS C C 13 175.794 0.000 . 1 . . . A 40 HIS C . 19311 1 165 . 1 1 29 29 HIS CA C 13 55.796 0.006 . 1 . . . A 40 HIS CA . 19311 1 166 . 1 1 29 29 HIS CB C 13 26.887 0.054 . 1 . . . A 40 HIS CB . 19311 1 167 . 1 1 29 29 HIS N N 15 121.529 0.504 . 1 . . . A 40 HIS N . 19311 1 168 . 1 1 30 30 VAL H H 1 8.201 0.011 . 1 . . . A 41 VAL H . 19311 1 169 . 1 1 30 30 VAL HG11 H 1 0.888 0.018 . 2 . . . A 41 VAL HG11 . 19311 1 170 . 1 1 30 30 VAL HG12 H 1 0.888 0.018 . 2 . . . A 41 VAL HG12 . 19311 1 171 . 1 1 30 30 VAL HG13 H 1 0.888 0.018 . 2 . . . A 41 VAL HG13 . 19311 1 172 . 1 1 30 30 VAL HG21 H 1 0.764 0.017 . 2 . . . A 41 VAL HG21 . 19311 1 173 . 1 1 30 30 VAL HG22 H 1 0.764 0.017 . 2 . . . A 41 VAL HG22 . 19311 1 174 . 1 1 30 30 VAL HG23 H 1 0.764 0.017 . 2 . . . A 41 VAL HG23 . 19311 1 175 . 1 1 30 30 VAL C C 13 176.247 0.000 . 1 . . . A 41 VAL C . 19311 1 176 . 1 1 30 30 VAL CA C 13 62.424 0.019 . 1 . . . A 41 VAL CA . 19311 1 177 . 1 1 30 30 VAL CB C 13 31.201 0.070 . 1 . . . A 41 VAL CB . 19311 1 178 . 1 1 30 30 VAL CG1 C 13 22.486 0.015 . 2 . . . A 41 VAL CG1 . 19311 1 179 . 1 1 30 30 VAL CG2 C 13 19.548 0.022 . 2 . . . A 41 VAL CG2 . 19311 1 180 . 1 1 30 30 VAL N N 15 115.423 0.598 . 1 . . . A 41 VAL N . 19311 1 181 . 1 1 31 31 ILE H H 1 7.305 0.014 . 1 . . . A 42 ILE H . 19311 1 182 . 1 1 31 31 ILE HD11 H 1 0.522 0.027 . 1 . . . A 42 ILE HD11 . 19311 1 183 . 1 1 31 31 ILE HD12 H 1 0.522 0.027 . 1 . . . A 42 ILE HD12 . 19311 1 184 . 1 1 31 31 ILE HD13 H 1 0.522 0.027 . 1 . . . A 42 ILE HD13 . 19311 1 185 . 1 1 31 31 ILE CA C 13 58.655 0.066 . 1 . . . A 42 ILE CA . 19311 1 186 . 1 1 31 31 ILE CB C 13 39.579 0.110 . 1 . . . A 42 ILE CB . 19311 1 187 . 1 1 31 31 ILE CG1 C 13 26.366 0.000 . 1 . . . A 42 ILE CG1 . 19311 1 188 . 1 1 31 31 ILE CD1 C 13 13.019 0.043 . 1 . . . A 42 ILE CD1 . 19311 1 189 . 1 1 31 31 ILE N N 15 120.213 0.646 . 1 . . . A 42 ILE N . 19311 1 190 . 1 1 32 32 PRO C C 13 177.076 0.000 . 1 . . . A 43 PRO C . 19311 1 191 . 1 1 32 32 PRO CA C 13 62.446 0.000 . 1 . . . A 43 PRO CA . 19311 1 192 . 1 1 32 32 PRO CB C 13 32.486 0.000 . 1 . . . A 43 PRO CB . 19311 1 193 . 1 1 33 33 SER H H 1 8.436 0.013 . 1 . . . A 44 SER H . 19311 1 194 . 1 1 33 33 SER C C 13 173.398 0.000 . 1 . . . A 44 SER C . 19311 1 195 . 1 1 33 33 SER CA C 13 57.636 0.026 . 1 . . . A 44 SER CA . 19311 1 196 . 1 1 33 33 SER CB C 13 63.032 0.014 . 1 . . . A 44 SER CB . 19311 1 197 . 1 1 33 33 SER N N 15 116.530 0.562 . 1 . . . A 44 SER N . 19311 1 198 . 1 1 34 34 LEU H H 1 9.947 0.012 . 1 . . . A 45 LEU H . 19311 1 199 . 1 1 34 34 LEU HD11 H 1 0.230 0.002 . 2 . . . A 45 LEU HD11 . 19311 1 200 . 1 1 34 34 LEU HD12 H 1 0.230 0.002 . 2 . . . A 45 LEU HD12 . 19311 1 201 . 1 1 34 34 LEU HD13 H 1 0.230 0.002 . 2 . . . A 45 LEU HD13 . 19311 1 202 . 1 1 34 34 LEU HD21 H 1 0.026 0.019 . 2 . . . A 45 LEU HD21 . 19311 1 203 . 1 1 34 34 LEU HD22 H 1 0.026 0.019 . 2 . . . A 45 LEU HD22 . 19311 1 204 . 1 1 34 34 LEU HD23 H 1 0.026 0.019 . 2 . . . A 45 LEU HD23 . 19311 1 205 . 1 1 34 34 LEU C C 13 178.103 0.000 . 1 . . . A 45 LEU C . 19311 1 206 . 1 1 34 34 LEU CA C 13 52.534 0.102 . 1 . . . A 45 LEU CA . 19311 1 207 . 1 1 34 34 LEU CB C 13 42.737 0.056 . 1 . . . A 45 LEU CB . 19311 1 208 . 1 1 34 34 LEU CG C 13 25.815 0.049 . 1 . . . A 45 LEU CG . 19311 1 209 . 1 1 34 34 LEU CD1 C 13 25.738 0.030 . 2 . . . A 45 LEU CD1 . 19311 1 210 . 1 1 34 34 LEU CD2 C 13 22.521 0.035 . 2 . . . A 45 LEU CD2 . 19311 1 211 . 1 1 34 34 LEU N N 15 127.441 0.605 . 1 . . . A 45 LEU N . 19311 1 212 . 1 1 35 35 THR H H 1 9.328 0.011 . 1 . . . A 46 THR H . 19311 1 213 . 1 1 35 35 THR C C 13 175.217 0.000 . 1 . . . A 46 THR C . 19311 1 214 . 1 1 35 35 THR CA C 13 60.441 0.017 . 1 . . . A 46 THR CA . 19311 1 215 . 1 1 35 35 THR CB C 13 71.156 0.068 . 1 . . . A 46 THR CB . 19311 1 216 . 1 1 35 35 THR N N 15 114.571 0.612 . 1 . . . A 46 THR N . 19311 1 217 . 1 1 36 36 LYS H H 1 8.690 0.012 . 1 . . . A 47 LYS H . 19311 1 218 . 1 1 36 36 LYS C C 13 179.434 0.000 . 1 . . . A 47 LYS C . 19311 1 219 . 1 1 36 36 LYS CA C 13 59.340 0.029 . 1 . . . A 47 LYS CA . 19311 1 220 . 1 1 36 36 LYS CB C 13 30.960 0.001 . 1 . . . A 47 LYS CB . 19311 1 221 . 1 1 36 36 LYS N N 15 120.404 0.635 . 1 . . . A 47 LYS N . 19311 1 222 . 1 1 37 37 GLN H H 1 8.082 0.017 . 1 . . . A 48 GLN H . 19311 1 223 . 1 1 37 37 GLN C C 13 178.691 0.000 . 1 . . . A 48 GLN C . 19311 1 224 . 1 1 37 37 GLN CA C 13 58.356 0.015 . 1 . . . A 48 GLN CA . 19311 1 225 . 1 1 37 37 GLN CB C 13 27.365 0.018 . 1 . . . A 48 GLN CB . 19311 1 226 . 1 1 37 37 GLN N N 15 119.487 0.688 . 1 . . . A 48 GLN N . 19311 1 227 . 1 1 38 38 ASP H H 1 7.743 0.014 . 1 . . . A 49 ASP H . 19311 1 228 . 1 1 38 38 ASP C C 13 175.759 0.000 . 1 . . . A 49 ASP C . 19311 1 229 . 1 1 38 38 ASP CA C 13 57.516 0.005 . 1 . . . A 49 ASP CA . 19311 1 230 . 1 1 38 38 ASP CB C 13 41.147 0.016 . 1 . . . A 49 ASP CB . 19311 1 231 . 1 1 38 38 ASP N N 15 122.541 0.660 . 1 . . . A 49 ASP N . 19311 1 232 . 1 1 39 39 LEU H H 1 7.307 0.014 . 1 . . . A 50 LEU H . 19311 1 233 . 1 1 39 39 LEU HD11 H 1 0.618 0.015 . 2 . . . A 50 LEU HD11 . 19311 1 234 . 1 1 39 39 LEU HD12 H 1 0.618 0.015 . 2 . . . A 50 LEU HD12 . 19311 1 235 . 1 1 39 39 LEU HD13 H 1 0.618 0.015 . 2 . . . A 50 LEU HD13 . 19311 1 236 . 1 1 39 39 LEU HD21 H 1 0.477 0.016 . 2 . . . A 50 LEU HD21 . 19311 1 237 . 1 1 39 39 LEU HD22 H 1 0.477 0.016 . 2 . . . A 50 LEU HD22 . 19311 1 238 . 1 1 39 39 LEU HD23 H 1 0.477 0.016 . 2 . . . A 50 LEU HD23 . 19311 1 239 . 1 1 39 39 LEU C C 13 178.243 0.000 . 1 . . . A 50 LEU C . 19311 1 240 . 1 1 39 39 LEU CA C 13 56.063 0.047 . 1 . . . A 50 LEU CA . 19311 1 241 . 1 1 39 39 LEU CB C 13 41.162 0.062 . 1 . . . A 50 LEU CB . 19311 1 242 . 1 1 39 39 LEU CG C 13 25.829 0.029 . 1 . . . A 50 LEU CG . 19311 1 243 . 1 1 39 39 LEU CD1 C 13 25.356 0.022 . 2 . . . A 50 LEU CD1 . 19311 1 244 . 1 1 39 39 LEU CD2 C 13 22.993 0.019 . 2 . . . A 50 LEU CD2 . 19311 1 245 . 1 1 39 39 LEU N N 15 113.803 0.621 . 1 . . . A 50 LEU N . 19311 1 246 . 1 1 40 40 ALA H H 1 7.677 0.014 . 1 . . . A 51 ALA H . 19311 1 247 . 1 1 40 40 ALA C C 13 178.660 0.000 . 1 . . . A 51 ALA C . 19311 1 248 . 1 1 40 40 ALA CA C 13 53.718 0.033 . 1 . . . A 51 ALA CA . 19311 1 249 . 1 1 40 40 ALA CB C 13 18.193 0.038 . 1 . . . A 51 ALA CB . 19311 1 250 . 1 1 40 40 ALA N N 15 120.417 0.648 . 1 . . . A 51 ALA N . 19311 1 251 . 1 1 41 41 LEU H H 1 6.992 0.011 . 1 . . . A 52 LEU H . 19311 1 252 . 1 1 41 41 LEU HD11 H 1 0.870 0.014 . 2 . . . A 52 LEU HD11 . 19311 1 253 . 1 1 41 41 LEU HD12 H 1 0.870 0.014 . 2 . . . A 52 LEU HD12 . 19311 1 254 . 1 1 41 41 LEU HD13 H 1 0.870 0.014 . 2 . . . A 52 LEU HD13 . 19311 1 255 . 1 1 41 41 LEU HD21 H 1 0.888 0.013 . 2 . . . A 52 LEU HD21 . 19311 1 256 . 1 1 41 41 LEU HD22 H 1 0.888 0.013 . 2 . . . A 52 LEU HD22 . 19311 1 257 . 1 1 41 41 LEU HD23 H 1 0.888 0.013 . 2 . . . A 52 LEU HD23 . 19311 1 258 . 1 1 41 41 LEU CA C 13 51.307 0.128 . 1 . . . A 52 LEU CA . 19311 1 259 . 1 1 41 41 LEU CB C 13 42.099 0.110 . 1 . . . A 52 LEU CB . 19311 1 260 . 1 1 41 41 LEU CG C 13 25.599 0.125 . 1 . . . A 52 LEU CG . 19311 1 261 . 1 1 41 41 LEU CD1 C 13 25.375 0.014 . 2 . . . A 52 LEU CD1 . 19311 1 262 . 1 1 41 41 LEU CD2 C 13 24.231 0.003 . 2 . . . A 52 LEU CD2 . 19311 1 263 . 1 1 41 41 LEU N N 15 116.642 0.616 . 1 . . . A 52 LEU N . 19311 1 264 . 1 1 42 42 PRO C C 13 177.594 0.000 . 1 . . . A 53 PRO C . 19311 1 265 . 1 1 42 42 PRO CA C 13 65.466 0.000 . 1 . . . A 53 PRO CA . 19311 1 266 . 1 1 42 42 PRO CB C 13 31.761 0.000 . 1 . . . A 53 PRO CB . 19311 1 267 . 1 1 43 43 HIS H H 1 8.274 0.017 . 1 . . . A 54 HIS H . 19311 1 268 . 1 1 43 43 HIS C C 13 175.187 0.000 . 1 . . . A 54 HIS C . 19311 1 269 . 1 1 43 43 HIS CA C 13 57.695 0.000 . 1 . . . A 54 HIS CA . 19311 1 270 . 1 1 43 43 HIS CB C 13 28.716 0.033 . 1 . . . A 54 HIS CB . 19311 1 271 . 1 1 43 43 HIS N N 15 112.752 0.643 . 1 . . . A 54 HIS N . 19311 1 272 . 1 1 44 44 MET H H 1 7.254 0.013 . 1 . . . A 55 MET H . 19311 1 273 . 1 1 44 44 MET C C 13 175.522 0.000 . 1 . . . A 55 MET C . 19311 1 274 . 1 1 44 44 MET CA C 13 53.185 0.039 . 1 . . . A 55 MET CA . 19311 1 275 . 1 1 44 44 MET CB C 13 32.240 0.048 . 1 . . . A 55 MET CB . 19311 1 276 . 1 1 44 44 MET N N 15 116.326 0.649 . 1 . . . A 55 MET N . 19311 1 277 . 1 1 45 45 SER H H 1 7.038 0.017 . 1 . . . A 56 SER H . 19311 1 278 . 1 1 45 45 SER CA C 13 54.269 0.000 . 1 . . . A 56 SER CA . 19311 1 279 . 1 1 45 45 SER CB C 13 63.227 0.000 . 1 . . . A 56 SER CB . 19311 1 280 . 1 1 45 45 SER N N 15 116.685 0.651 . 1 . . . A 56 SER N . 19311 1 281 . 1 1 46 46 PRO C C 13 178.714 0.000 . 1 . . . A 57 PRO C . 19311 1 282 . 1 1 46 46 PRO CA C 13 64.333 0.000 . 1 . . . A 57 PRO CA . 19311 1 283 . 1 1 46 46 PRO CB C 13 31.044 0.000 . 1 . . . A 57 PRO CB . 19311 1 284 . 1 1 47 47 THR H H 1 7.560 0.015 . 1 . . . A 58 THR H . 19311 1 285 . 1 1 47 47 THR C C 13 175.811 0.000 . 1 . . . A 58 THR C . 19311 1 286 . 1 1 47 47 THR CA C 13 65.411 0.002 . 1 . . . A 58 THR CA . 19311 1 287 . 1 1 47 47 THR CB C 13 68.208 0.033 . 1 . . . A 58 THR CB . 19311 1 288 . 1 1 47 47 THR N N 15 115.440 0.663 . 1 . . . A 58 THR N . 19311 1 289 . 1 1 48 48 ILE H H 1 7.182 0.012 . 1 . . . A 59 ILE H . 19311 1 290 . 1 1 48 48 ILE HD11 H 1 0.597 0.018 . 1 . . . A 59 ILE HD11 . 19311 1 291 . 1 1 48 48 ILE HD12 H 1 0.597 0.018 . 1 . . . A 59 ILE HD12 . 19311 1 292 . 1 1 48 48 ILE HD13 H 1 0.597 0.018 . 1 . . . A 59 ILE HD13 . 19311 1 293 . 1 1 48 48 ILE C C 13 176.672 0.000 . 1 . . . A 59 ILE C . 19311 1 294 . 1 1 48 48 ILE CA C 13 64.230 0.069 . 1 . . . A 59 ILE CA . 19311 1 295 . 1 1 48 48 ILE CB C 13 37.283 0.065 . 1 . . . A 59 ILE CB . 19311 1 296 . 1 1 48 48 ILE CG1 C 13 29.165 0.000 . 1 . . . A 59 ILE CG1 . 19311 1 297 . 1 1 48 48 ILE CD1 C 13 14.149 0.032 . 1 . . . A 59 ILE CD1 . 19311 1 298 . 1 1 48 48 ILE N N 15 122.823 0.653 . 1 . . . A 59 ILE N . 19311 1 299 . 1 1 49 49 LEU H H 1 7.894 0.013 . 1 . . . A 60 LEU H . 19311 1 300 . 1 1 49 49 LEU HD11 H 1 0.807 0.015 . 2 . . . A 60 LEU HD11 . 19311 1 301 . 1 1 49 49 LEU HD12 H 1 0.807 0.015 . 2 . . . A 60 LEU HD12 . 19311 1 302 . 1 1 49 49 LEU HD13 H 1 0.807 0.015 . 2 . . . A 60 LEU HD13 . 19311 1 303 . 1 1 49 49 LEU HD21 H 1 0.959 0.013 . 2 . . . A 60 LEU HD21 . 19311 1 304 . 1 1 49 49 LEU HD22 H 1 0.959 0.013 . 2 . . . A 60 LEU HD22 . 19311 1 305 . 1 1 49 49 LEU HD23 H 1 0.959 0.013 . 2 . . . A 60 LEU HD23 . 19311 1 306 . 1 1 49 49 LEU C C 13 179.288 0.000 . 1 . . . A 60 LEU C . 19311 1 307 . 1 1 49 49 LEU CA C 13 56.589 0.076 . 1 . . . A 60 LEU CA . 19311 1 308 . 1 1 49 49 LEU CB C 13 40.734 0.120 . 1 . . . A 60 LEU CB . 19311 1 309 . 1 1 49 49 LEU CG C 13 25.978 0.067 . 1 . . . A 60 LEU CG . 19311 1 310 . 1 1 49 49 LEU CD1 C 13 24.758 0.020 . 2 . . . A 60 LEU CD1 . 19311 1 311 . 1 1 49 49 LEU CD2 C 13 22.036 0.021 . 2 . . . A 60 LEU CD2 . 19311 1 312 . 1 1 49 49 LEU N N 15 113.853 0.697 . 1 . . . A 60 LEU N . 19311 1 313 . 1 1 50 50 THR H H 1 7.427 0.014 . 1 . . . A 61 THR H . 19311 1 314 . 1 1 50 50 THR C C 13 173.987 0.000 . 1 . . . A 61 THR C . 19311 1 315 . 1 1 50 50 THR CA C 13 61.516 0.011 . 1 . . . A 61 THR CA . 19311 1 316 . 1 1 50 50 THR CB C 13 69.919 0.039 . 1 . . . A 61 THR CB . 19311 1 317 . 1 1 50 50 THR N N 15 107.267 0.565 . 1 . . . A 61 THR N . 19311 1 318 . 1 1 51 51 ASN H H 1 7.368 0.008 . 1 . . . A 62 ASN H . 19311 1 319 . 1 1 51 51 ASN CA C 13 49.977 0.000 . 1 . . . A 62 ASN CA . 19311 1 320 . 1 1 51 51 ASN CB C 13 39.885 0.000 . 1 . . . A 62 ASN CB . 19311 1 321 . 1 1 51 51 ASN N N 15 121.377 0.644 . 1 . . . A 62 ASN N . 19311 1 322 . 1 1 52 52 PRO C C 13 176.868 0.000 . 1 . . . A 63 PRO C . 19311 1 323 . 1 1 52 52 PRO CA C 13 64.130 0.000 . 1 . . . A 63 PRO CA . 19311 1 324 . 1 1 52 52 PRO CB C 13 32.275 0.000 . 1 . . . A 63 PRO CB . 19311 1 325 . 1 1 53 53 CYS H H 1 7.072 0.015 . 1 . . . A 64 CYS H . 19311 1 326 . 1 1 53 53 CYS C C 13 170.205 0.000 . 1 . . . A 64 CYS C . 19311 1 327 . 1 1 53 53 CYS CA C 13 56.943 0.043 . 1 . . . A 64 CYS CA . 19311 1 328 . 1 1 53 53 CYS CB C 13 26.242 0.035 . 1 . . . A 64 CYS CB . 19311 1 329 . 1 1 53 53 CYS N N 15 113.208 0.606 . 1 . . . A 64 CYS N . 19311 1 330 . 1 1 54 54 HIS H H 1 6.651 0.015 . 1 . . . A 65 HIS H . 19311 1 331 . 1 1 54 54 HIS C C 13 174.303 0.000 . 1 . . . A 65 HIS C . 19311 1 332 . 1 1 54 54 HIS CA C 13 56.141 0.045 . 1 . . . A 65 HIS CA . 19311 1 333 . 1 1 54 54 HIS CB C 13 28.565 0.016 . 1 . . . A 65 HIS CB . 19311 1 334 . 1 1 54 54 HIS N N 15 108.987 0.679 . 1 . . . A 65 HIS N . 19311 1 335 . 1 1 55 55 PHE H H 1 7.548 0.010 . 1 . . . A 66 PHE H . 19311 1 336 . 1 1 55 55 PHE C C 13 174.308 0.000 . 1 . . . A 66 PHE C . 19311 1 337 . 1 1 55 55 PHE CA C 13 56.990 0.002 . 1 . . . A 66 PHE CA . 19311 1 338 . 1 1 55 55 PHE CB C 13 41.535 0.034 . 1 . . . A 66 PHE CB . 19311 1 339 . 1 1 55 55 PHE N N 15 116.823 0.610 . 1 . . . A 66 PHE N . 19311 1 340 . 1 1 56 56 ALA H H 1 8.646 0.010 . 1 . . . A 67 ALA H . 19311 1 341 . 1 1 56 56 ALA C C 13 175.495 0.000 . 1 . . . A 67 ALA C . 19311 1 342 . 1 1 56 56 ALA CA C 13 50.842 0.086 . 1 . . . A 67 ALA CA . 19311 1 343 . 1 1 56 56 ALA CB C 13 24.144 0.057 . 1 . . . A 67 ALA CB . 19311 1 344 . 1 1 56 56 ALA N N 15 119.242 0.578 . 1 . . . A 67 ALA N . 19311 1 345 . 1 1 57 57 LYS H H 1 8.373 0.015 . 1 . . . A 68 LYS H . 19311 1 346 . 1 1 57 57 LYS C C 13 176.011 0.000 . 1 . . . A 68 LYS C . 19311 1 347 . 1 1 57 57 LYS CA C 13 54.557 0.068 . 1 . . . A 68 LYS CA . 19311 1 348 . 1 1 57 57 LYS CB C 13 34.575 0.002 . 1 . . . A 68 LYS CB . 19311 1 349 . 1 1 57 57 LYS N N 15 118.338 0.548 . 1 . . . A 68 LYS N . 19311 1 350 . 1 1 58 58 ILE H H 1 9.660 0.010 . 1 . . . A 69 ILE H . 19311 1 351 . 1 1 58 58 ILE HD11 H 1 0.709 0.017 . 1 . . . A 69 ILE HD11 . 19311 1 352 . 1 1 58 58 ILE HD12 H 1 0.709 0.017 . 1 . . . A 69 ILE HD12 . 19311 1 353 . 1 1 58 58 ILE HD13 H 1 0.709 0.017 . 1 . . . A 69 ILE HD13 . 19311 1 354 . 1 1 58 58 ILE C C 13 176.711 0.000 . 1 . . . A 69 ILE C . 19311 1 355 . 1 1 58 58 ILE CA C 13 61.581 0.016 . 1 . . . A 69 ILE CA . 19311 1 356 . 1 1 58 58 ILE CB C 13 37.161 0.043 . 1 . . . A 69 ILE CB . 19311 1 357 . 1 1 58 58 ILE CG1 C 13 27.093 0.000 . 1 . . . A 69 ILE CG1 . 19311 1 358 . 1 1 58 58 ILE CD1 C 13 13.255 0.022 . 1 . . . A 69 ILE CD1 . 19311 1 359 . 1 1 58 58 ILE N N 15 126.321 0.580 . 1 . . . A 69 ILE N . 19311 1 360 . 1 1 59 59 THR H H 1 8.785 0.013 . 1 . . . A 70 THR H . 19311 1 361 . 1 1 59 59 THR C C 13 175.076 0.000 . 1 . . . A 70 THR C . 19311 1 362 . 1 1 59 59 THR CA C 13 60.883 0.023 . 1 . . . A 70 THR CA . 19311 1 363 . 1 1 59 59 THR CB C 13 68.643 0.011 . 1 . . . A 70 THR CB . 19311 1 364 . 1 1 59 59 THR N N 15 118.154 0.626 . 1 . . . A 70 THR N . 19311 1 365 . 1 1 60 60 LYS H H 1 7.088 0.012 . 1 . . . A 71 LYS H . 19311 1 366 . 1 1 60 60 LYS C C 13 173.355 0.000 . 1 . . . A 71 LYS C . 19311 1 367 . 1 1 60 60 LYS CA C 13 56.459 0.030 . 1 . . . A 71 LYS CA . 19311 1 368 . 1 1 60 60 LYS CB C 13 34.142 0.028 . 1 . . . A 71 LYS CB . 19311 1 369 . 1 1 60 60 LYS N N 15 122.877 0.648 . 1 . . . A 71 LYS N . 19311 1 370 . 1 1 61 61 PHE H H 1 8.530 0.016 . 1 . . . A 72 PHE H . 19311 1 371 . 1 1 61 61 PHE C C 13 175.071 0.000 . 1 . . . A 72 PHE C . 19311 1 372 . 1 1 61 61 PHE CA C 13 57.980 0.022 . 1 . . . A 72 PHE CA . 19311 1 373 . 1 1 61 61 PHE CB C 13 39.359 0.090 . 1 . . . A 72 PHE CB . 19311 1 374 . 1 1 61 61 PHE N N 15 122.143 0.574 . 1 . . . A 72 PHE N . 19311 1 375 . 1 1 62 62 TYR H H 1 9.437 0.017 . 1 . . . A 73 TYR H . 19311 1 376 . 1 1 62 62 TYR C C 13 176.295 0.000 . 1 . . . A 73 TYR C . 19311 1 377 . 1 1 62 62 TYR CA C 13 60.464 0.002 . 1 . . . A 73 TYR CA . 19311 1 378 . 1 1 62 62 TYR CB C 13 39.634 0.000 . 1 . . . A 73 TYR CB . 19311 1 379 . 1 1 62 62 TYR N N 15 123.208 0.615 . 1 . . . A 73 TYR N . 19311 1 380 . 1 1 63 63 ASN H H 1 7.993 0.015 . 1 . . . A 74 ASN H . 19311 1 381 . 1 1 63 63 ASN C C 13 172.652 0.000 . 1 . . . A 74 ASN C . 19311 1 382 . 1 1 63 63 ASN CA C 13 52.675 0.028 . 1 . . . A 74 ASN CA . 19311 1 383 . 1 1 63 63 ASN CB C 13 39.801 0.000 . 1 . . . A 74 ASN CB . 19311 1 384 . 1 1 63 63 ASN N N 15 113.786 0.633 . 1 . . . A 74 ASN N . 19311 1 385 . 1 1 64 64 VAL H H 1 7.721 0.011 . 1 . . . A 75 VAL H . 19311 1 386 . 1 1 64 64 VAL HG11 H 1 0.937 0.018 . 2 . . . A 75 VAL HG11 . 19311 1 387 . 1 1 64 64 VAL HG12 H 1 0.937 0.018 . 2 . . . A 75 VAL HG12 . 19311 1 388 . 1 1 64 64 VAL HG13 H 1 0.937 0.018 . 2 . . . A 75 VAL HG13 . 19311 1 389 . 1 1 64 64 VAL HG21 H 1 0.803 0.017 . 2 . . . A 75 VAL HG21 . 19311 1 390 . 1 1 64 64 VAL HG22 H 1 0.803 0.017 . 2 . . . A 75 VAL HG22 . 19311 1 391 . 1 1 64 64 VAL HG23 H 1 0.803 0.017 . 2 . . . A 75 VAL HG23 . 19311 1 392 . 1 1 64 64 VAL C C 13 175.179 0.000 . 1 . . . A 75 VAL C . 19311 1 393 . 1 1 64 64 VAL CA C 13 61.422 0.093 . 1 . . . A 75 VAL CA . 19311 1 394 . 1 1 64 64 VAL CB C 13 33.185 0.121 . 1 . . . A 75 VAL CB . 19311 1 395 . 1 1 64 64 VAL CG1 C 13 20.718 0.034 . 2 . . . A 75 VAL CG1 . 19311 1 396 . 1 1 64 64 VAL CG2 C 13 20.152 0.032 . 2 . . . A 75 VAL CG2 . 19311 1 397 . 1 1 64 64 VAL N N 15 124.913 0.508 . 1 . . . A 75 VAL N . 19311 1 398 . 1 1 65 65 CYS H H 1 8.677 0.017 . 1 . . . A 76 CYS H . 19311 1 399 . 1 1 65 65 CYS CA C 13 57.694 0.000 . 1 . . . A 76 CYS CA . 19311 1 400 . 1 1 65 65 CYS CB C 13 27.993 0.000 . 1 . . . A 76 CYS CB . 19311 1 401 . 1 1 65 65 CYS N N 15 125.698 0.596 . 1 . . . A 76 CYS N . 19311 1 402 . 1 1 67 67 TYR H H 1 8.215 0.014 . 1 . . . A 78 TYR H . 19311 1 403 . 1 1 67 67 TYR C C 13 173.592 0.000 . 1 . . . A 78 TYR C . 19311 1 404 . 1 1 67 67 TYR CA C 13 60.078 0.056 . 1 . . . A 78 TYR CA . 19311 1 405 . 1 1 67 67 TYR CB C 13 35.627 0.000 . 1 . . . A 78 TYR CB . 19311 1 406 . 1 1 67 67 TYR N N 15 109.730 0.684 . 1 . . . A 78 TYR N . 19311 1 407 . 1 1 68 68 LYS H H 1 7.695 0.021 . 1 . . . A 79 LYS H . 19311 1 408 . 1 1 68 68 LYS C C 13 175.198 0.000 . 1 . . . A 79 LYS C . 19311 1 409 . 1 1 68 68 LYS CA C 13 55.243 0.009 . 1 . . . A 79 LYS CA . 19311 1 410 . 1 1 68 68 LYS CB C 13 33.522 0.018 . 1 . . . A 79 LYS CB . 19311 1 411 . 1 1 68 68 LYS N N 15 119.181 0.674 . 1 . . . A 79 LYS N . 19311 1 412 . 1 1 69 69 VAL H H 1 7.478 0.012 . 1 . . . A 80 VAL H . 19311 1 413 . 1 1 69 69 VAL HG11 H 1 0.911 0.018 . 2 . . . A 80 VAL HG11 . 19311 1 414 . 1 1 69 69 VAL HG12 H 1 0.911 0.018 . 2 . . . A 80 VAL HG12 . 19311 1 415 . 1 1 69 69 VAL HG13 H 1 0.911 0.018 . 2 . . . A 80 VAL HG13 . 19311 1 416 . 1 1 69 69 VAL HG21 H 1 1.106 0.016 . 2 . . . A 80 VAL HG21 . 19311 1 417 . 1 1 69 69 VAL HG22 H 1 1.106 0.016 . 2 . . . A 80 VAL HG22 . 19311 1 418 . 1 1 69 69 VAL HG23 H 1 1.106 0.016 . 2 . . . A 80 VAL HG23 . 19311 1 419 . 1 1 69 69 VAL C C 13 172.953 0.000 . 1 . . . A 80 VAL C . 19311 1 420 . 1 1 69 69 VAL CA C 13 61.093 0.067 . 1 . . . A 80 VAL CA . 19311 1 421 . 1 1 69 69 VAL CB C 13 34.048 0.145 . 1 . . . A 80 VAL CB . 19311 1 422 . 1 1 69 69 VAL CG1 C 13 22.506 0.026 . 2 . . . A 80 VAL CG1 . 19311 1 423 . 1 1 69 69 VAL CG2 C 13 22.297 0.024 . 2 . . . A 80 VAL CG2 . 19311 1 424 . 1 1 69 69 VAL N N 15 118.700 0.608 . 1 . . . A 80 VAL N . 19311 1 425 . 1 1 70 70 TYR H H 1 8.851 0.011 . 1 . . . A 81 TYR H . 19311 1 426 . 1 1 70 70 TYR C C 13 175.948 0.000 . 1 . . . A 81 TYR C . 19311 1 427 . 1 1 70 70 TYR CA C 13 57.836 0.011 . 1 . . . A 81 TYR CA . 19311 1 428 . 1 1 70 70 TYR CB C 13 37.594 0.028 . 1 . . . A 81 TYR CB . 19311 1 429 . 1 1 70 70 TYR N N 15 128.065 0.625 . 1 . . . A 81 TYR N . 19311 1 430 . 1 1 71 71 ALA H H 1 9.673 0.008 . 1 . . . A 82 ALA H . 19311 1 431 . 1 1 71 71 ALA C C 13 174.291 0.000 . 1 . . . A 82 ALA C . 19311 1 432 . 1 1 71 71 ALA CA C 13 51.702 0.061 . 1 . . . A 82 ALA CA . 19311 1 433 . 1 1 71 71 ALA CB C 13 24.004 0.004 . 1 . . . A 82 ALA CB . 19311 1 434 . 1 1 71 71 ALA N N 15 130.227 0.572 . 1 . . . A 82 ALA N . 19311 1 435 . 1 1 72 72 SER H H 1 8.975 0.015 . 1 . . . A 83 SER H . 19311 1 436 . 1 1 72 72 SER C C 13 175.055 0.000 . 1 . . . A 83 SER C . 19311 1 437 . 1 1 72 72 SER CA C 13 56.656 0.028 . 1 . . . A 83 SER CA . 19311 1 438 . 1 1 72 72 SER CB C 13 65.405 0.033 . 1 . . . A 83 SER CB . 19311 1 439 . 1 1 72 72 SER N N 15 112.455 0.549 . 1 . . . A 83 SER N . 19311 1 440 . 1 1 73 73 ILE H H 1 8.657 0.013 . 1 . . . A 84 ILE H . 19311 1 441 . 1 1 73 73 ILE HD11 H 1 0.650 0.018 . 1 . . . A 84 ILE HD11 . 19311 1 442 . 1 1 73 73 ILE HD12 H 1 0.650 0.018 . 1 . . . A 84 ILE HD12 . 19311 1 443 . 1 1 73 73 ILE HD13 H 1 0.650 0.018 . 1 . . . A 84 ILE HD13 . 19311 1 444 . 1 1 73 73 ILE C C 13 173.569 0.000 . 1 . . . A 84 ILE C . 19311 1 445 . 1 1 73 73 ILE CA C 13 57.822 0.054 . 1 . . . A 84 ILE CA . 19311 1 446 . 1 1 73 73 ILE CB C 13 41.310 0.046 . 1 . . . A 84 ILE CB . 19311 1 447 . 1 1 73 73 ILE CG1 C 13 24.078 0.000 . 1 . . . A 84 ILE CG1 . 19311 1 448 . 1 1 73 73 ILE CD1 C 13 13.362 0.025 . 1 . . . A 84 ILE CD1 . 19311 1 449 . 1 1 73 73 ILE N N 15 115.288 0.572 . 1 . . . A 84 ILE N . 19311 1 450 . 1 1 74 74 ARG H H 1 9.306 0.012 . 1 . . . A 85 ARG H . 19311 1 451 . 1 1 74 74 ARG C C 13 174.594 0.000 . 1 . . . A 85 ARG C . 19311 1 452 . 1 1 74 74 ARG CA C 13 52.721 0.046 . 1 . . . A 85 ARG CA . 19311 1 453 . 1 1 74 74 ARG CB C 13 33.188 0.030 . 1 . . . A 85 ARG CB . 19311 1 454 . 1 1 74 74 ARG N N 15 116.138 0.621 . 1 . . . A 85 ARG N . 19311 1 455 . 1 1 75 75 ASP H H 1 7.506 0.015 . 1 . . . A 86 ASP H . 19311 1 456 . 1 1 75 75 ASP C C 13 175.804 0.000 . 1 . . . A 86 ASP C . 19311 1 457 . 1 1 75 75 ASP CA C 13 51.666 0.059 . 1 . . . A 86 ASP CA . 19311 1 458 . 1 1 75 75 ASP CB C 13 38.969 0.001 . 1 . . . A 86 ASP CB . 19311 1 459 . 1 1 75 75 ASP N N 15 121.622 0.689 . 1 . . . A 86 ASP N . 19311 1 460 . 1 1 76 76 SER H H 1 6.452 0.012 . 1 . . . A 87 SER H . 19311 1 461 . 1 1 76 76 SER C C 13 174.343 0.000 . 1 . . . A 87 SER C . 19311 1 462 . 1 1 76 76 SER CA C 13 59.775 0.028 . 1 . . . A 87 SER CA . 19311 1 463 . 1 1 76 76 SER CB C 13 62.824 0.011 . 1 . . . A 87 SER CB . 19311 1 464 . 1 1 76 76 SER N N 15 109.487 0.637 . 1 . . . A 87 SER N . 19311 1 465 . 1 1 77 77 SER H H 1 8.852 0.014 . 1 . . . A 88 SER H . 19311 1 466 . 1 1 77 77 SER C C 13 172.322 0.000 . 1 . . . A 88 SER C . 19311 1 467 . 1 1 77 77 SER CA C 13 60.625 0.024 . 1 . . . A 88 SER CA . 19311 1 468 . 1 1 77 77 SER CB C 13 66.392 0.024 . 1 . . . A 88 SER CB . 19311 1 469 . 1 1 77 77 SER N N 15 117.714 0.639 . 1 . . . A 88 SER N . 19311 1 470 . 1 1 78 78 HIS H H 1 9.568 0.012 . 1 . . . A 89 HIS H . 19311 1 471 . 1 1 78 78 HIS C C 13 173.253 0.000 . 1 . . . A 89 HIS C . 19311 1 472 . 1 1 78 78 HIS CA C 13 55.530 0.040 . 1 . . . A 89 HIS CA . 19311 1 473 . 1 1 78 78 HIS CB C 13 36.622 0.055 . 1 . . . A 89 HIS CB . 19311 1 474 . 1 1 78 78 HIS N N 15 121.987 0.682 . 1 . . . A 89 HIS N . 19311 1 475 . 1 1 79 79 GLN H H 1 7.942 0.012 . 1 . . . A 90 GLN H . 19311 1 476 . 1 1 79 79 GLN C C 13 175.640 0.000 . 1 . . . A 90 GLN C . 19311 1 477 . 1 1 79 79 GLN CA C 13 53.060 0.063 . 1 . . . A 90 GLN CA . 19311 1 478 . 1 1 79 79 GLN CB C 13 32.977 0.006 . 1 . . . A 90 GLN CB . 19311 1 479 . 1 1 79 79 GLN N N 15 112.816 0.601 . 1 . . . A 90 GLN N . 19311 1 480 . 1 1 80 80 ILE H H 1 8.937 0.015 . 1 . . . A 91 ILE H . 19311 1 481 . 1 1 80 80 ILE HD11 H 1 0.670 0.020 . 1 . . . A 91 ILE HD11 . 19311 1 482 . 1 1 80 80 ILE HD12 H 1 0.670 0.020 . 1 . . . A 91 ILE HD12 . 19311 1 483 . 1 1 80 80 ILE HD13 H 1 0.670 0.020 . 1 . . . A 91 ILE HD13 . 19311 1 484 . 1 1 80 80 ILE C C 13 172.309 0.000 . 1 . . . A 91 ILE C . 19311 1 485 . 1 1 80 80 ILE CA C 13 61.019 0.035 . 1 . . . A 91 ILE CA . 19311 1 486 . 1 1 80 80 ILE CB C 13 41.077 0.063 . 1 . . . A 91 ILE CB . 19311 1 487 . 1 1 80 80 ILE CG1 C 13 28.190 0.000 . 1 . . . A 91 ILE CG1 . 19311 1 488 . 1 1 80 80 ILE CD1 C 13 13.859 0.029 . 1 . . . A 91 ILE CD1 . 19311 1 489 . 1 1 80 80 ILE N N 15 119.354 0.591 . 1 . . . A 91 ILE N . 19311 1 490 . 1 1 81 81 LEU H H 1 7.192 0.011 . 1 . . . A 92 LEU H . 19311 1 491 . 1 1 81 81 LEU HD11 H 1 -0.223 0.017 . 2 . . . A 92 LEU HD11 . 19311 1 492 . 1 1 81 81 LEU HD12 H 1 -0.223 0.017 . 2 . . . A 92 LEU HD12 . 19311 1 493 . 1 1 81 81 LEU HD13 H 1 -0.223 0.017 . 2 . . . A 92 LEU HD13 . 19311 1 494 . 1 1 81 81 LEU HD21 H 1 0.802 0.014 . 2 . . . A 92 LEU HD21 . 19311 1 495 . 1 1 81 81 LEU HD22 H 1 0.802 0.014 . 2 . . . A 92 LEU HD22 . 19311 1 496 . 1 1 81 81 LEU HD23 H 1 0.802 0.014 . 2 . . . A 92 LEU HD23 . 19311 1 497 . 1 1 81 81 LEU C C 13 175.848 0.000 . 1 . . . A 92 LEU C . 19311 1 498 . 1 1 81 81 LEU CA C 13 55.084 0.123 . 1 . . . A 92 LEU CA . 19311 1 499 . 1 1 81 81 LEU CB C 13 40.637 0.118 . 1 . . . A 92 LEU CB . 19311 1 500 . 1 1 81 81 LEU CG C 13 25.948 0.116 . 1 . . . A 92 LEU CG . 19311 1 501 . 1 1 81 81 LEU CD1 C 13 22.537 0.019 . 2 . . . A 92 LEU CD1 . 19311 1 502 . 1 1 81 81 LEU CD2 C 13 22.819 0.011 . 2 . . . A 92 LEU CD2 . 19311 1 503 . 1 1 81 81 LEU N N 15 125.414 0.579 . 1 . . . A 92 LEU N . 19311 1 504 . 1 1 82 82 VAL H H 1 9.225 0.014 . 1 . . . A 93 VAL H . 19311 1 505 . 1 1 82 82 VAL HG11 H 1 0.376 0.018 . 2 . . . A 93 VAL HG11 . 19311 1 506 . 1 1 82 82 VAL HG12 H 1 0.376 0.018 . 2 . . . A 93 VAL HG12 . 19311 1 507 . 1 1 82 82 VAL HG13 H 1 0.376 0.018 . 2 . . . A 93 VAL HG13 . 19311 1 508 . 1 1 82 82 VAL HG21 H 1 0.374 0.019 . 2 . . . A 93 VAL HG21 . 19311 1 509 . 1 1 82 82 VAL HG22 H 1 0.374 0.019 . 2 . . . A 93 VAL HG22 . 19311 1 510 . 1 1 82 82 VAL HG23 H 1 0.374 0.019 . 2 . . . A 93 VAL HG23 . 19311 1 511 . 1 1 82 82 VAL C C 13 173.013 0.000 . 1 . . . A 93 VAL C . 19311 1 512 . 1 1 82 82 VAL CA C 13 58.637 0.030 . 1 . . . A 93 VAL CA . 19311 1 513 . 1 1 82 82 VAL CB C 13 35.844 0.169 . 1 . . . A 93 VAL CB . 19311 1 514 . 1 1 82 82 VAL CG1 C 13 21.796 0.034 . 2 . . . A 93 VAL CG1 . 19311 1 515 . 1 1 82 82 VAL CG2 C 13 21.446 0.005 . 2 . . . A 93 VAL CG2 . 19311 1 516 . 1 1 82 82 VAL N N 15 116.666 0.486 . 1 . . . A 93 VAL N . 19311 1 517 . 1 1 83 83 GLU H H 1 8.549 0.009 . 1 . . . A 94 GLU H . 19311 1 518 . 1 1 83 83 GLU CA C 13 53.418 0.000 . 1 . . . A 94 GLU CA . 19311 1 519 . 1 1 83 83 GLU CB C 13 32.133 0.000 . 1 . . . A 94 GLU CB . 19311 1 520 . 1 1 83 83 GLU N N 15 124.248 0.421 . 1 . . . A 94 GLU N . 19311 1 521 . 1 1 84 84 PHE C C 13 175.472 0.000 . 1 . . . A 95 PHE C . 19311 1 522 . 1 1 84 84 PHE CA C 13 56.710 0.000 . 1 . . . A 95 PHE CA . 19311 1 523 . 1 1 84 84 PHE CB C 13 38.774 0.000 . 1 . . . A 95 PHE CB . 19311 1 524 . 1 1 85 85 SER H H 1 8.203 0.012 . 1 . . . A 96 SER H . 19311 1 525 . 1 1 85 85 SER C C 13 173.024 0.000 . 1 . . . A 96 SER C . 19311 1 526 . 1 1 85 85 SER CA C 13 57.233 0.001 . 1 . . . A 96 SER CA . 19311 1 527 . 1 1 85 85 SER CB C 13 65.249 0.025 . 1 . . . A 96 SER CB . 19311 1 528 . 1 1 85 85 SER N N 15 119.651 0.633 . 1 . . . A 96 SER N . 19311 1 529 . 1 1 86 86 GLN H H 1 8.949 0.013 . 1 . . . A 97 GLN H . 19311 1 530 . 1 1 86 86 GLN C C 13 179.424 0.000 . 1 . . . A 97 GLN C . 19311 1 531 . 1 1 86 86 GLN CA C 13 58.799 0.016 . 1 . . . A 97 GLN CA . 19311 1 532 . 1 1 86 86 GLN CB C 13 26.863 0.009 . 1 . . . A 97 GLN CB . 19311 1 533 . 1 1 86 86 GLN N N 15 120.894 0.660 . 1 . . . A 97 GLN N . 19311 1 534 . 1 1 87 87 GLU H H 1 8.759 0.019 . 1 . . . A 98 GLU H . 19311 1 535 . 1 1 87 87 GLU C C 13 177.401 0.000 . 1 . . . A 98 GLU C . 19311 1 536 . 1 1 87 87 GLU CA C 13 59.056 0.007 . 1 . . . A 98 GLU CA . 19311 1 537 . 1 1 87 87 GLU CB C 13 28.654 0.044 . 1 . . . A 98 GLU CB . 19311 1 538 . 1 1 87 87 GLU N N 15 121.467 0.661 . 1 . . . A 98 GLU N . 19311 1 539 . 1 1 88 88 CYS H H 1 8.194 0.014 . 1 . . . A 99 CYS H . 19311 1 540 . 1 1 88 88 CYS C C 13 178.667 0.000 . 1 . . . A 99 CYS C . 19311 1 541 . 1 1 88 88 CYS CA C 13 61.683 0.010 . 1 . . . A 99 CYS CA . 19311 1 542 . 1 1 88 88 CYS CB C 13 27.002 0.093 . 1 . . . A 99 CYS CB . 19311 1 543 . 1 1 88 88 CYS N N 15 122.363 0.644 . 1 . . . A 99 CYS N . 19311 1 544 . 1 1 89 89 VAL H H 1 8.584 0.009 . 1 . . . A 100 VAL H . 19311 1 545 . 1 1 89 89 VAL HG11 H 1 1.013 0.018 . 2 . . . A 100 VAL HG11 . 19311 1 546 . 1 1 89 89 VAL HG12 H 1 1.013 0.018 . 2 . . . A 100 VAL HG12 . 19311 1 547 . 1 1 89 89 VAL HG13 H 1 1.013 0.018 . 2 . . . A 100 VAL HG13 . 19311 1 548 . 1 1 89 89 VAL HG21 H 1 0.944 0.017 . 2 . . . A 100 VAL HG21 . 19311 1 549 . 1 1 89 89 VAL HG22 H 1 0.944 0.017 . 2 . . . A 100 VAL HG22 . 19311 1 550 . 1 1 89 89 VAL HG23 H 1 0.944 0.017 . 2 . . . A 100 VAL HG23 . 19311 1 551 . 1 1 89 89 VAL C C 13 178.191 0.000 . 1 . . . A 100 VAL C . 19311 1 552 . 1 1 89 89 VAL CA C 13 66.503 0.021 . 1 . . . A 100 VAL CA . 19311 1 553 . 1 1 89 89 VAL CB C 13 31.299 0.141 . 1 . . . A 100 VAL CB . 19311 1 554 . 1 1 89 89 VAL CG1 C 13 23.125 0.054 . 2 . . . A 100 VAL CG1 . 19311 1 555 . 1 1 89 89 VAL CG2 C 13 21.497 0.023 . 2 . . . A 100 VAL CG2 . 19311 1 556 . 1 1 89 89 VAL N N 15 120.067 0.579 . 1 . . . A 100 VAL N . 19311 1 557 . 1 1 90 90 SER H H 1 8.685 0.015 . 1 . . . A 101 SER H . 19311 1 558 . 1 1 90 90 SER C C 13 177.930 0.000 . 1 . . . A 101 SER C . 19311 1 559 . 1 1 90 90 SER CA C 13 61.182 0.001 . 1 . . . A 101 SER CA . 19311 1 560 . 1 1 90 90 SER CB C 13 62.112 0.011 . 1 . . . A 101 SER CB . 19311 1 561 . 1 1 90 90 SER N N 15 117.155 0.638 . 1 . . . A 101 SER N . 19311 1 562 . 1 1 91 91 ASN H H 1 8.638 0.005 . 1 . . . A 102 ASN H . 19311 1 563 . 1 1 91 91 ASN C C 13 178.047 0.000 . 1 . . . A 102 ASN C . 19311 1 564 . 1 1 91 91 ASN CA C 13 56.108 0.018 . 1 . . . A 102 ASN CA . 19311 1 565 . 1 1 91 91 ASN CB C 13 37.456 0.045 . 1 . . . A 102 ASN CB . 19311 1 566 . 1 1 91 91 ASN N N 15 120.931 0.442 . 1 . . . A 102 ASN N . 19311 1 567 . 1 1 92 92 PHE H H 1 8.495 0.007 . 1 . . . A 103 PHE H . 19311 1 568 . 1 1 92 92 PHE C C 13 177.886 0.000 . 1 . . . A 103 PHE C . 19311 1 569 . 1 1 92 92 PHE CA C 13 61.734 0.004 . 1 . . . A 103 PHE CA . 19311 1 570 . 1 1 92 92 PHE CB C 13 38.976 0.035 . 1 . . . A 103 PHE CB . 19311 1 571 . 1 1 92 92 PHE N N 15 124.907 0.570 . 1 . . . A 103 PHE N . 19311 1 572 . 1 1 93 93 GLU H H 1 8.614 0.014 . 1 . . . A 104 GLU H . 19311 1 573 . 1 1 93 93 GLU C C 13 180.036 0.000 . 1 . . . A 104 GLU C . 19311 1 574 . 1 1 93 93 GLU CA C 13 59.070 0.016 . 1 . . . A 104 GLU CA . 19311 1 575 . 1 1 93 93 GLU CB C 13 28.323 0.002 . 1 . . . A 104 GLU CB . 19311 1 576 . 1 1 93 93 GLU N N 15 120.930 0.702 . 1 . . . A 104 GLU N . 19311 1 577 . 1 1 94 94 ARG H H 1 7.976 0.015 . 1 . . . A 105 ARG H . 19311 1 578 . 1 1 94 94 ARG C C 13 178.097 0.000 . 1 . . . A 105 ARG C . 19311 1 579 . 1 1 94 94 ARG CA C 13 58.179 0.020 . 1 . . . A 105 ARG CA . 19311 1 580 . 1 1 94 94 ARG CB C 13 29.305 0.029 . 1 . . . A 105 ARG CB . 19311 1 581 . 1 1 94 94 ARG N N 15 119.201 0.691 . 1 . . . A 105 ARG N . 19311 1 582 . 1 1 95 95 THR H H 1 7.744 0.012 . 1 . . . A 106 THR H . 19311 1 583 . 1 1 95 95 THR C C 13 175.323 0.000 . 1 . . . A 106 THR C . 19311 1 584 . 1 1 95 95 THR CA C 13 65.164 0.018 . 1 . . . A 106 THR CA . 19311 1 585 . 1 1 95 95 THR CB C 13 68.964 0.017 . 1 . . . A 106 THR CB . 19311 1 586 . 1 1 95 95 THR N N 15 114.725 0.693 . 1 . . . A 106 THR N . 19311 1 587 . 1 1 96 96 HIS H H 1 8.033 0.014 . 1 . . . A 107 HIS H . 19311 1 588 . 1 1 96 96 HIS C C 13 174.769 0.000 . 1 . . . A 107 HIS C . 19311 1 589 . 1 1 96 96 HIS CA C 13 56.636 0.017 . 1 . . . A 107 HIS CA . 19311 1 590 . 1 1 96 96 HIS CB C 13 29.833 0.028 . 1 . . . A 107 HIS CB . 19311 1 591 . 1 1 96 96 HIS N N 15 116.911 0.664 . 1 . . . A 107 HIS N . 19311 1 592 . 1 1 97 97 ASN H H 1 8.135 0.019 . 1 . . . A 108 ASN H . 19311 1 593 . 1 1 97 97 ASN C C 13 173.328 0.000 . 1 . . . A 108 ASN C . 19311 1 594 . 1 1 97 97 ASN CA C 13 53.859 0.025 . 1 . . . A 108 ASN CA . 19311 1 595 . 1 1 97 97 ASN CB C 13 36.623 0.022 . 1 . . . A 108 ASN CB . 19311 1 596 . 1 1 97 97 ASN N N 15 118.204 0.631 . 1 . . . A 108 ASN N . 19311 1 597 . 1 1 98 98 CYS H H 1 7.493 0.014 . 1 . . . A 109 CYS H . 19311 1 598 . 1 1 98 98 CYS C C 13 171.934 0.000 . 1 . . . A 109 CYS C . 19311 1 599 . 1 1 98 98 CYS CA C 13 55.233 0.033 . 1 . . . A 109 CYS CA . 19311 1 600 . 1 1 98 98 CYS CB C 13 29.518 0.014 . 1 . . . A 109 CYS CB . 19311 1 601 . 1 1 98 98 CYS N N 15 111.643 0.634 . 1 . . . A 109 CYS N . 19311 1 602 . 1 1 99 99 ARG H H 1 8.271 0.014 . 1 . . . A 110 ARG H . 19311 1 603 . 1 1 99 99 ARG C C 13 179.018 0.000 . 1 . . . A 110 ARG C . 19311 1 604 . 1 1 99 99 ARG CA C 13 54.914 0.043 . 1 . . . A 110 ARG CA . 19311 1 605 . 1 1 99 99 ARG CB C 13 30.252 0.001 . 1 . . . A 110 ARG CB . 19311 1 606 . 1 1 99 99 ARG N N 15 117.680 0.652 . 1 . . . A 110 ARG N . 19311 1 607 . 1 1 100 100 ILE H H 1 9.551 0.021 . 1 . . . A 111 ILE H . 19311 1 608 . 1 1 100 100 ILE HD11 H 1 -0.362 0.018 . 1 . . . A 111 ILE HD11 . 19311 1 609 . 1 1 100 100 ILE HD12 H 1 -0.362 0.018 . 1 . . . A 111 ILE HD12 . 19311 1 610 . 1 1 100 100 ILE HD13 H 1 -0.362 0.018 . 1 . . . A 111 ILE HD13 . 19311 1 611 . 1 1 100 100 ILE CA C 13 63.115 0.120 . 1 . . . A 111 ILE CA . 19311 1 612 . 1 1 100 100 ILE CB C 13 37.530 0.000 . 1 . . . A 111 ILE CB . 19311 1 613 . 1 1 100 100 ILE CG1 C 13 27.521 0.000 . 1 . . . A 111 ILE CG1 . 19311 1 614 . 1 1 100 100 ILE CD1 C 13 12.517 0.041 . 1 . . . A 111 ILE CD1 . 19311 1 615 . 1 1 100 100 ILE N N 15 124.684 0.617 . 1 . . . A 111 ILE N . 19311 1 616 . 1 1 101 101 THR H H 1 6.484 0.006 . 1 . . . A 112 THR H . 19311 1 617 . 1 1 101 101 THR C C 13 175.160 0.000 . 1 . . . A 112 THR C . 19311 1 618 . 1 1 101 101 THR CA C 13 60.029 0.062 . 1 . . . A 112 THR CA . 19311 1 619 . 1 1 101 101 THR CB C 13 67.949 0.000 . 1 . . . A 112 THR CB . 19311 1 620 . 1 1 101 101 THR N N 15 106.975 0.051 . 1 . . . A 112 THR N . 19311 1 621 . 1 1 102 102 SER H H 1 7.446 0.005 . 1 . . . A 113 SER H . 19311 1 622 . 1 1 102 102 SER C C 13 173.813 0.000 . 1 . . . A 113 SER C . 19311 1 623 . 1 1 102 102 SER CA C 13 58.470 0.048 . 1 . . . A 113 SER CA . 19311 1 624 . 1 1 102 102 SER CB C 13 62.730 0.052 . 1 . . . A 113 SER CB . 19311 1 625 . 1 1 102 102 SER N N 15 118.281 0.484 . 1 . . . A 113 SER N . 19311 1 626 . 1 1 103 103 GLU H H 1 8.350 0.017 . 1 . . . A 114 GLU H . 19311 1 627 . 1 1 103 103 GLU CA C 13 56.911 0.000 . 1 . . . A 114 GLU CA . 19311 1 628 . 1 1 103 103 GLU CB C 13 27.463 0.000 . 1 . . . A 114 GLU CB . 19311 1 629 . 1 1 103 103 GLU N N 15 121.273 0.645 . 1 . . . A 114 GLU N . 19311 1 630 . 1 1 104 104 THR H H 1 7.689 0.021 . 1 . . . A 115 THR H . 19311 1 631 . 1 1 104 104 THR C C 13 177.031 0.000 . 1 . . . A 115 THR C . 19311 1 632 . 1 1 104 104 THR CA C 13 61.908 0.069 . 1 . . . A 115 THR CA . 19311 1 633 . 1 1 104 104 THR CB C 13 69.072 0.000 . 1 . . . A 115 THR CB . 19311 1 634 . 1 1 104 104 THR N N 15 109.184 0.753 . 1 . . . A 115 THR N . 19311 1 635 . 1 1 105 105 THR H H 1 7.979 0.016 . 1 . . . A 116 THR H . 19311 1 636 . 1 1 105 105 THR C C 13 175.023 0.000 . 1 . . . A 116 THR C . 19311 1 637 . 1 1 105 105 THR CA C 13 63.834 0.031 . 1 . . . A 116 THR CA . 19311 1 638 . 1 1 105 105 THR CB C 13 68.130 0.000 . 1 . . . A 116 THR CB . 19311 1 639 . 1 1 105 105 THR N N 15 115.339 0.662 . 1 . . . A 116 THR N . 19311 1 640 . 1 1 106 106 ASN H H 1 8.295 0.011 . 1 . . . A 117 ASN H . 19311 1 641 . 1 1 106 106 ASN C C 13 174.413 0.000 . 1 . . . A 117 ASN C . 19311 1 642 . 1 1 106 106 ASN CA C 13 53.549 0.032 . 1 . . . A 117 ASN CA . 19311 1 643 . 1 1 106 106 ASN CB C 13 37.548 0.053 . 1 . . . A 117 ASN CB . 19311 1 644 . 1 1 106 106 ASN N N 15 118.558 0.654 . 1 . . . A 117 ASN N . 19311 1 645 . 1 1 107 107 CYS H H 1 7.548 0.011 . 1 . . . A 118 CYS H . 19311 1 646 . 1 1 107 107 CYS C C 13 174.430 0.000 . 1 . . . A 118 CYS C . 19311 1 647 . 1 1 107 107 CYS CA C 13 58.206 0.007 . 1 . . . A 118 CYS CA . 19311 1 648 . 1 1 107 107 CYS CB C 13 28.866 0.015 . 1 . . . A 118 CYS CB . 19311 1 649 . 1 1 107 107 CYS N N 15 116.611 0.623 . 1 . . . A 118 CYS N . 19311 1 650 . 1 1 108 108 LEU H H 1 8.840 0.015 . 1 . . . A 119 LEU H . 19311 1 651 . 1 1 108 108 LEU HD11 H 1 1.004 0.014 . 2 . . . A 119 LEU HD11 . 19311 1 652 . 1 1 108 108 LEU HD12 H 1 1.004 0.014 . 2 . . . A 119 LEU HD12 . 19311 1 653 . 1 1 108 108 LEU HD13 H 1 1.004 0.014 . 2 . . . A 119 LEU HD13 . 19311 1 654 . 1 1 108 108 LEU HD21 H 1 1.080 0.018 . 2 . . . A 119 LEU HD21 . 19311 1 655 . 1 1 108 108 LEU HD22 H 1 1.080 0.018 . 2 . . . A 119 LEU HD22 . 19311 1 656 . 1 1 108 108 LEU HD23 H 1 1.080 0.018 . 2 . . . A 119 LEU HD23 . 19311 1 657 . 1 1 108 108 LEU C C 13 174.612 0.000 . 1 . . . A 119 LEU C . 19311 1 658 . 1 1 108 108 LEU CA C 13 54.869 0.079 . 1 . . . A 119 LEU CA . 19311 1 659 . 1 1 108 108 LEU CB C 13 42.394 0.048 . 1 . . . A 119 LEU CB . 19311 1 660 . 1 1 108 108 LEU CG C 13 26.520 0.054 . 1 . . . A 119 LEU CG . 19311 1 661 . 1 1 108 108 LEU CD1 C 13 26.148 0.015 . 2 . . . A 119 LEU CD1 . 19311 1 662 . 1 1 108 108 LEU CD2 C 13 24.628 0.013 . 2 . . . A 119 LEU CD2 . 19311 1 663 . 1 1 108 108 LEU N N 15 125.613 0.605 . 1 . . . A 119 LEU N . 19311 1 664 . 1 1 109 109 MET H H 1 9.274 0.011 . 1 . . . A 120 MET H . 19311 1 665 . 1 1 109 109 MET C C 13 174.384 0.000 . 1 . . . A 120 MET C . 19311 1 666 . 1 1 109 109 MET CA C 13 53.292 0.056 . 1 . . . A 120 MET CA . 19311 1 667 . 1 1 109 109 MET N N 15 128.079 0.550 . 1 . . . A 120 MET N . 19311 1 668 . 1 1 110 110 ILE H H 1 8.527 0.005 . 1 . . . A 121 ILE H . 19311 1 669 . 1 1 110 110 ILE HD11 H 1 -0.075 0.019 . 1 . . . A 121 ILE HD11 . 19311 1 670 . 1 1 110 110 ILE HD12 H 1 -0.075 0.019 . 1 . . . A 121 ILE HD12 . 19311 1 671 . 1 1 110 110 ILE HD13 H 1 -0.075 0.019 . 1 . . . A 121 ILE HD13 . 19311 1 672 . 1 1 110 110 ILE C C 13 176.479 0.000 . 1 . . . A 121 ILE C . 19311 1 673 . 1 1 110 110 ILE CA C 13 55.536 0.043 . 1 . . . A 121 ILE CA . 19311 1 674 . 1 1 110 110 ILE CB C 13 36.335 0.087 . 1 . . . A 121 ILE CB . 19311 1 675 . 1 1 110 110 ILE CG1 C 13 26.238 0.000 . 1 . . . A 121 ILE CG1 . 19311 1 676 . 1 1 110 110 ILE CD1 C 13 10.474 0.066 . 1 . . . A 121 ILE CD1 . 19311 1 677 . 1 1 110 110 ILE N N 15 120.093 0.088 . 1 . . . A 121 ILE N . 19311 1 678 . 1 1 111 111 ILE H H 1 8.913 0.004 . 1 . . . A 122 ILE H . 19311 1 679 . 1 1 111 111 ILE HD11 H 1 0.716 0.016 . 1 . . . A 122 ILE HD11 . 19311 1 680 . 1 1 111 111 ILE HD12 H 1 0.716 0.016 . 1 . . . A 122 ILE HD12 . 19311 1 681 . 1 1 111 111 ILE HD13 H 1 0.716 0.016 . 1 . . . A 122 ILE HD13 . 19311 1 682 . 1 1 111 111 ILE C C 13 174.904 0.000 . 1 . . . A 122 ILE C . 19311 1 683 . 1 1 111 111 ILE CA C 13 57.790 0.029 . 1 . . . A 122 ILE CA . 19311 1 684 . 1 1 111 111 ILE CB C 13 41.605 0.149 . 1 . . . A 122 ILE CB . 19311 1 685 . 1 1 111 111 ILE CG1 C 13 24.102 0.000 . 1 . . . A 122 ILE CG1 . 19311 1 686 . 1 1 111 111 ILE CD1 C 13 13.713 0.036 . 1 . . . A 122 ILE CD1 . 19311 1 687 . 1 1 111 111 ILE N N 15 119.127 0.516 . 1 . . . A 122 ILE N . 19311 1 688 . 1 1 112 112 GLY H H 1 8.373 0.010 . 1 . . . A 123 GLY H . 19311 1 689 . 1 1 112 112 GLY C C 13 170.571 0.000 . 1 . . . A 123 GLY C . 19311 1 690 . 1 1 112 112 GLY CA C 13 43.698 0.034 . 1 . . . A 123 GLY CA . 19311 1 691 . 1 1 112 112 GLY N N 15 106.647 0.597 . 1 . . . A 123 GLY N . 19311 1 692 . 1 1 113 113 ASP H H 1 7.712 0.015 . 1 . . . A 124 ASP H . 19311 1 693 . 1 1 113 113 ASP C C 13 174.481 0.000 . 1 . . . A 124 ASP C . 19311 1 694 . 1 1 113 113 ASP CA C 13 53.993 0.049 . 1 . . . A 124 ASP CA . 19311 1 695 . 1 1 113 113 ASP CB C 13 39.163 0.032 . 1 . . . A 124 ASP CB . 19311 1 696 . 1 1 113 113 ASP N N 15 119.021 0.569 . 1 . . . A 124 ASP N . 19311 1 697 . 1 1 114 114 ALA H H 1 8.502 0.013 . 1 . . . A 125 ALA H . 19311 1 698 . 1 1 114 114 ALA C C 13 175.798 0.000 . 1 . . . A 125 ALA C . 19311 1 699 . 1 1 114 114 ALA CA C 13 49.258 0.000 . 1 . . . A 125 ALA CA . 19311 1 700 . 1 1 114 114 ALA CB C 13 23.466 0.039 . 1 . . . A 125 ALA CB . 19311 1 701 . 1 1 114 114 ALA N N 15 122.997 0.693 . 1 . . . A 125 ALA N . 19311 1 702 . 1 1 115 115 ASP H H 1 8.656 0.011 . 1 . . . A 126 ASP H . 19311 1 703 . 1 1 115 115 ASP C C 13 174.129 0.000 . 1 . . . A 126 ASP C . 19311 1 704 . 1 1 115 115 ASP CA C 13 51.984 0.051 . 1 . . . A 126 ASP CA . 19311 1 705 . 1 1 115 115 ASP CB C 13 43.380 0.013 . 1 . . . A 126 ASP CB . 19311 1 706 . 1 1 115 115 ASP N N 15 121.643 0.588 . 1 . . . A 126 ASP N . 19311 1 707 . 1 1 116 116 LEU H H 1 8.886 0.012 . 1 . . . A 127 LEU H . 19311 1 708 . 1 1 116 116 LEU HD11 H 1 0.745 0.015 . 2 . . . A 127 LEU HD11 . 19311 1 709 . 1 1 116 116 LEU HD12 H 1 0.745 0.015 . 2 . . . A 127 LEU HD12 . 19311 1 710 . 1 1 116 116 LEU HD13 H 1 0.745 0.015 . 2 . . . A 127 LEU HD13 . 19311 1 711 . 1 1 116 116 LEU HD21 H 1 0.693 0.013 . 2 . . . A 127 LEU HD21 . 19311 1 712 . 1 1 116 116 LEU HD22 H 1 0.693 0.013 . 2 . . . A 127 LEU HD22 . 19311 1 713 . 1 1 116 116 LEU HD23 H 1 0.693 0.013 . 2 . . . A 127 LEU HD23 . 19311 1 714 . 1 1 116 116 LEU C C 13 175.007 0.000 . 1 . . . A 127 LEU C . 19311 1 715 . 1 1 116 116 LEU CA C 13 53.944 0.108 . 1 . . . A 127 LEU CA . 19311 1 716 . 1 1 116 116 LEU CB C 13 43.759 0.124 . 1 . . . A 127 LEU CB . 19311 1 717 . 1 1 116 116 LEU CG C 13 26.442 0.077 . 1 . . . A 127 LEU CG . 19311 1 718 . 1 1 116 116 LEU CD1 C 13 25.747 0.032 . 2 . . . A 127 LEU CD1 . 19311 1 719 . 1 1 116 116 LEU CD2 C 13 24.809 0.008 . 2 . . . A 127 LEU CD2 . 19311 1 720 . 1 1 116 116 LEU N N 15 124.869 0.556 . 1 . . . A 127 LEU N . 19311 1 721 . 1 1 117 117 VAL H H 1 8.737 0.011 . 1 . . . A 128 VAL H . 19311 1 722 . 1 1 117 117 VAL HG11 H 1 0.648 0.016 . 2 . . . A 128 VAL HG11 . 19311 1 723 . 1 1 117 117 VAL HG12 H 1 0.648 0.016 . 2 . . . A 128 VAL HG12 . 19311 1 724 . 1 1 117 117 VAL HG13 H 1 0.648 0.016 . 2 . . . A 128 VAL HG13 . 19311 1 725 . 1 1 117 117 VAL HG21 H 1 0.829 0.019 . 2 . . . A 128 VAL HG21 . 19311 1 726 . 1 1 117 117 VAL HG22 H 1 0.829 0.019 . 2 . . . A 128 VAL HG22 . 19311 1 727 . 1 1 117 117 VAL HG23 H 1 0.829 0.019 . 2 . . . A 128 VAL HG23 . 19311 1 728 . 1 1 117 117 VAL C C 13 173.242 0.000 . 1 . . . A 128 VAL C . 19311 1 729 . 1 1 117 117 VAL CA C 13 58.875 0.056 . 1 . . . A 128 VAL CA . 19311 1 730 . 1 1 117 117 VAL CB C 13 34.062 0.133 . 1 . . . A 128 VAL CB . 19311 1 731 . 1 1 117 117 VAL CG1 C 13 18.882 0.011 . 2 . . . A 128 VAL CG1 . 19311 1 732 . 1 1 117 117 VAL CG2 C 13 21.173 0.003 . 2 . . . A 128 VAL CG2 . 19311 1 733 . 1 1 117 117 VAL N N 15 122.817 0.606 . 1 . . . A 128 VAL N . 19311 1 734 . 1 1 118 118 TYR H H 1 8.585 0.011 . 1 . . . A 129 TYR H . 19311 1 735 . 1 1 118 118 TYR C C 13 176.280 0.000 . 1 . . . A 129 TYR C . 19311 1 736 . 1 1 118 118 TYR CA C 13 57.265 0.025 . 1 . . . A 129 TYR CA . 19311 1 737 . 1 1 118 118 TYR CB C 13 38.931 0.041 . 1 . . . A 129 TYR CB . 19311 1 738 . 1 1 118 118 TYR N N 15 120.375 0.616 . 1 . . . A 129 TYR N . 19311 1 739 . 1 1 119 119 VAL H H 1 8.851 0.013 . 1 . . . A 130 VAL H . 19311 1 740 . 1 1 119 119 VAL HG11 H 1 0.761 0.017 . 2 . . . A 130 VAL HG11 . 19311 1 741 . 1 1 119 119 VAL HG12 H 1 0.761 0.017 . 2 . . . A 130 VAL HG12 . 19311 1 742 . 1 1 119 119 VAL HG13 H 1 0.761 0.017 . 2 . . . A 130 VAL HG13 . 19311 1 743 . 1 1 119 119 VAL HG21 H 1 0.821 0.018 . 2 . . . A 130 VAL HG21 . 19311 1 744 . 1 1 119 119 VAL HG22 H 1 0.821 0.018 . 2 . . . A 130 VAL HG22 . 19311 1 745 . 1 1 119 119 VAL HG23 H 1 0.821 0.018 . 2 . . . A 130 VAL HG23 . 19311 1 746 . 1 1 119 119 VAL C C 13 174.139 0.000 . 1 . . . A 130 VAL C . 19311 1 747 . 1 1 119 119 VAL CA C 13 59.324 0.064 . 1 . . . A 130 VAL CA . 19311 1 748 . 1 1 119 119 VAL CB C 13 34.193 0.135 . 1 . . . A 130 VAL CB . 19311 1 749 . 1 1 119 119 VAL CG1 C 13 21.013 0.041 . 2 . . . A 130 VAL CG1 . 19311 1 750 . 1 1 119 119 VAL CG2 C 13 21.003 0.030 . 2 . . . A 130 VAL CG2 . 19311 1 751 . 1 1 119 119 VAL N N 15 121.466 0.618 . 1 . . . A 130 VAL N . 19311 1 752 . 1 1 120 120 THR H H 1 7.768 0.013 . 1 . . . A 131 THR H . 19311 1 753 . 1 1 120 120 THR C C 13 175.861 0.000 . 1 . . . A 131 THR C . 19311 1 754 . 1 1 120 120 THR CA C 13 59.748 0.007 . 1 . . . A 131 THR CA . 19311 1 755 . 1 1 120 120 THR CB C 13 70.864 0.026 . 1 . . . A 131 THR CB . 19311 1 756 . 1 1 120 120 THR N N 15 113.648 0.561 . 1 . . . A 131 THR N . 19311 1 757 . 1 1 121 121 ASN H H 1 8.518 0.011 . 1 . . . A 132 ASN H . 19311 1 758 . 1 1 121 121 ASN CA C 13 56.643 0.000 . 1 . . . A 132 ASN CA . 19311 1 759 . 1 1 121 121 ASN CB C 13 38.269 0.000 . 1 . . . A 132 ASN CB . 19311 1 760 . 1 1 121 121 ASN N N 15 119.407 0.624 . 1 . . . A 132 ASN N . 19311 1 761 . 1 1 122 122 SER C C 13 176.763 0.000 . 1 . . . A 133 SER C . 19311 1 762 . 1 1 122 122 SER CA C 13 61.287 0.000 . 1 . . . A 133 SER CA . 19311 1 763 . 1 1 123 123 ARG H H 1 7.333 0.015 . 1 . . . A 134 ARG H . 19311 1 764 . 1 1 123 123 ARG C C 13 178.393 0.000 . 1 . . . A 134 ARG C . 19311 1 765 . 1 1 123 123 ARG CA C 13 57.034 0.019 . 1 . . . A 134 ARG CA . 19311 1 766 . 1 1 123 123 ARG CB C 13 29.051 0.020 . 1 . . . A 134 ARG CB . 19311 1 767 . 1 1 123 123 ARG N N 15 124.193 0.704 . 1 . . . A 134 ARG N . 19311 1 768 . 1 1 124 124 ALA H H 1 8.656 0.012 . 1 . . . A 135 ALA H . 19311 1 769 . 1 1 124 124 ALA C C 13 180.063 0.000 . 1 . . . A 135 ALA C . 19311 1 770 . 1 1 124 124 ALA CA C 13 55.239 0.026 . 1 . . . A 135 ALA CA . 19311 1 771 . 1 1 124 124 ALA CB C 13 16.063 0.000 . 1 . . . A 135 ALA CB . 19311 1 772 . 1 1 124 124 ALA N N 15 124.165 0.648 . 1 . . . A 135 ALA N . 19311 1 773 . 1 1 125 125 MET H H 1 8.211 0.011 . 1 . . . A 136 MET H . 19311 1 774 . 1 1 125 125 MET C C 13 178.837 0.000 . 1 . . . A 136 MET C . 19311 1 775 . 1 1 125 125 MET CA C 13 58.214 0.025 . 1 . . . A 136 MET CA . 19311 1 776 . 1 1 125 125 MET CB C 13 31.493 0.077 . 1 . . . A 136 MET CB . 19311 1 777 . 1 1 125 125 MET N N 15 117.770 0.660 . 1 . . . A 136 MET N . 19311 1 778 . 1 1 126 126 SER H H 1 8.021 0.011 . 1 . . . A 137 SER H . 19311 1 779 . 1 1 126 126 SER C C 13 176.196 0.000 . 1 . . . A 137 SER C . 19311 1 780 . 1 1 126 126 SER CA C 13 60.589 0.040 . 1 . . . A 137 SER CA . 19311 1 781 . 1 1 126 126 SER CB C 13 62.236 0.028 . 1 . . . A 137 SER CB . 19311 1 782 . 1 1 126 126 SER N N 15 114.607 0.580 . 1 . . . A 137 SER N . 19311 1 783 . 1 1 127 127 HIS H H 1 8.462 0.014 . 1 . . . A 138 HIS H . 19311 1 784 . 1 1 127 127 HIS C C 13 174.530 0.000 . 1 . . . A 138 HIS C . 19311 1 785 . 1 1 127 127 HIS CA C 13 58.296 0.000 . 1 . . . A 138 HIS CA . 19311 1 786 . 1 1 127 127 HIS CB C 13 29.593 0.000 . 1 . . . A 138 HIS CB . 19311 1 787 . 1 1 127 127 HIS N N 15 120.793 0.590 . 1 . . . A 138 HIS N . 19311 1 788 . 1 1 128 128 PHE H H 1 7.466 0.018 . 1 . . . A 139 PHE H . 19311 1 789 . 1 1 128 128 PHE C C 13 173.540 0.000 . 1 . . . A 139 PHE C . 19311 1 790 . 1 1 128 128 PHE CA C 13 58.722 0.021 . 1 . . . A 139 PHE CA . 19311 1 791 . 1 1 128 128 PHE CB C 13 38.583 0.057 . 1 . . . A 139 PHE CB . 19311 1 792 . 1 1 128 128 PHE N N 15 114.046 0.660 . 1 . . . A 139 PHE N . 19311 1 793 . 1 1 129 129 LYS H H 1 7.141 0.014 . 1 . . . A 140 LYS H . 19311 1 794 . 1 1 129 129 LYS C C 13 175.951 0.000 . 1 . . . A 140 LYS C . 19311 1 795 . 1 1 129 129 LYS CA C 13 56.106 0.016 . 1 . . . A 140 LYS CA . 19311 1 796 . 1 1 129 129 LYS CB C 13 27.887 0.026 . 1 . . . A 140 LYS CB . 19311 1 797 . 1 1 129 129 LYS N N 15 110.734 0.690 . 1 . . . A 140 LYS N . 19311 1 798 . 1 1 130 130 ILE H H 1 7.309 0.012 . 1 . . . A 141 ILE H . 19311 1 799 . 1 1 130 130 ILE HD11 H 1 0.247 0.018 . 1 . . . A 141 ILE HD11 . 19311 1 800 . 1 1 130 130 ILE HD12 H 1 0.247 0.018 . 1 . . . A 141 ILE HD12 . 19311 1 801 . 1 1 130 130 ILE HD13 H 1 0.247 0.018 . 1 . . . A 141 ILE HD13 . 19311 1 802 . 1 1 130 130 ILE C C 13 173.514 0.000 . 1 . . . A 141 ILE C . 19311 1 803 . 1 1 130 130 ILE CA C 13 58.801 0.051 . 1 . . . A 141 ILE CA . 19311 1 804 . 1 1 130 130 ILE CB C 13 41.595 0.081 . 1 . . . A 141 ILE CB . 19311 1 805 . 1 1 130 130 ILE CG1 C 13 25.409 0.000 . 1 . . . A 141 ILE CG1 . 19311 1 806 . 1 1 130 130 ILE CD1 C 13 13.625 0.037 . 1 . . . A 141 ILE CD1 . 19311 1 807 . 1 1 130 130 ILE N N 15 114.716 0.546 . 1 . . . A 141 ILE N . 19311 1 808 . 1 1 131 131 SER H H 1 7.814 0.005 . 1 . . . A 142 SER H . 19311 1 809 . 1 1 131 131 SER C C 13 176.437 0.000 . 1 . . . A 142 SER C . 19311 1 810 . 1 1 131 131 SER CA C 13 55.685 0.045 . 1 . . . A 142 SER CA . 19311 1 811 . 1 1 131 131 SER CB C 13 62.911 0.030 . 1 . . . A 142 SER CB . 19311 1 812 . 1 1 131 131 SER N N 15 115.031 0.566 . 1 . . . A 142 SER N . 19311 1 813 . 1 1 132 132 LEU H H 1 8.735 0.017 . 1 . . . A 143 LEU H . 19311 1 814 . 1 1 132 132 LEU HD11 H 1 0.421 0.019 . 2 . . . A 143 LEU HD11 . 19311 1 815 . 1 1 132 132 LEU HD12 H 1 0.421 0.019 . 2 . . . A 143 LEU HD12 . 19311 1 816 . 1 1 132 132 LEU HD13 H 1 0.421 0.019 . 2 . . . A 143 LEU HD13 . 19311 1 817 . 1 1 132 132 LEU HD21 H 1 0.249 0.017 . 2 . . . A 143 LEU HD21 . 19311 1 818 . 1 1 132 132 LEU HD22 H 1 0.249 0.017 . 2 . . . A 143 LEU HD22 . 19311 1 819 . 1 1 132 132 LEU HD23 H 1 0.249 0.017 . 2 . . . A 143 LEU HD23 . 19311 1 820 . 1 1 132 132 LEU C C 13 178.496 0.000 . 1 . . . A 143 LEU C . 19311 1 821 . 1 1 132 132 LEU CA C 13 56.183 0.058 . 1 . . . A 143 LEU CA . 19311 1 822 . 1 1 132 132 LEU CB C 13 40.186 0.063 . 1 . . . A 143 LEU CB . 19311 1 823 . 1 1 132 132 LEU CG C 13 25.720 0.058 . 1 . . . A 143 LEU CG . 19311 1 824 . 1 1 132 132 LEU CD1 C 13 24.620 0.028 . 2 . . . A 143 LEU CD1 . 19311 1 825 . 1 1 132 132 LEU CD2 C 13 22.839 0.053 . 2 . . . A 143 LEU CD2 . 19311 1 826 . 1 1 132 132 LEU N N 15 127.405 0.608 . 1 . . . A 143 LEU N . 19311 1 827 . 1 1 133 133 SER H H 1 8.140 0.014 . 1 . . . A 144 SER H . 19311 1 828 . 1 1 133 133 SER CA C 13 60.242 0.000 . 1 . . . A 144 SER CA . 19311 1 829 . 1 1 133 133 SER CB C 13 61.694 0.000 . 1 . . . A 144 SER CB . 19311 1 830 . 1 1 133 133 SER N N 15 114.479 0.663 . 1 . . . A 144 SER N . 19311 1 831 . 1 1 134 134 ASN H H 1 7.735 0.013 . 1 . . . A 145 ASN H . 19311 1 832 . 1 1 134 134 ASN C C 13 175.940 0.000 . 1 . . . A 145 ASN C . 19311 1 833 . 1 1 134 134 ASN CA C 13 54.269 0.053 . 1 . . . A 145 ASN CA . 19311 1 834 . 1 1 134 134 ASN CB C 13 38.284 0.000 . 1 . . . A 145 ASN CB . 19311 1 835 . 1 1 134 134 ASN N N 15 117.299 0.835 . 1 . . . A 145 ASN N . 19311 1 836 . 1 1 135 135 ILE H H 1 7.489 0.012 . 1 . . . A 146 ILE H . 19311 1 837 . 1 1 135 135 ILE HD11 H 1 0.034 0.019 . 1 . . . A 146 ILE HD11 . 19311 1 838 . 1 1 135 135 ILE HD12 H 1 0.034 0.019 . 1 . . . A 146 ILE HD12 . 19311 1 839 . 1 1 135 135 ILE HD13 H 1 0.034 0.019 . 1 . . . A 146 ILE HD13 . 19311 1 840 . 1 1 135 135 ILE C C 13 174.155 0.000 . 1 . . . A 146 ILE C . 19311 1 841 . 1 1 135 135 ILE CA C 13 60.838 0.075 . 1 . . . A 146 ILE CA . 19311 1 842 . 1 1 135 135 ILE CB C 13 39.123 0.048 . 1 . . . A 146 ILE CB . 19311 1 843 . 1 1 135 135 ILE CG1 C 13 24.907 0.000 . 1 . . . A 146 ILE CG1 . 19311 1 844 . 1 1 135 135 ILE CD1 C 13 13.071 0.028 . 1 . . . A 146 ILE CD1 . 19311 1 845 . 1 1 135 135 ILE N N 15 112.479 0.653 . 1 . . . A 146 ILE N . 19311 1 846 . 1 1 136 136 SER H H 1 7.794 0.014 . 1 . . . A 147 SER H . 19311 1 847 . 1 1 136 136 SER CA C 13 56.770 0.000 . 1 . . . A 147 SER CA . 19311 1 848 . 1 1 136 136 SER CB C 13 64.077 0.000 . 1 . . . A 147 SER CB . 19311 1 849 . 1 1 136 136 SER N N 15 114.961 0.559 . 1 . . . A 147 SER N . 19311 1 850 . 1 1 137 137 SER C C 13 174.292 0.000 . 1 . . . A 148 SER C . 19311 1 851 . 1 1 137 137 SER CA C 13 58.192 0.017 . 1 . . . A 148 SER CA . 19311 1 852 . 1 1 137 137 SER CB C 13 62.840 0.010 . 1 . . . A 148 SER CB . 19311 1 853 . 1 1 138 138 LYS H H 1 8.049 0.013 . 1 . . . A 149 LYS H . 19311 1 854 . 1 1 138 138 LYS CA C 13 54.607 0.000 . 1 . . . A 149 LYS CA . 19311 1 855 . 1 1 138 138 LYS CB C 13 33.707 0.000 . 1 . . . A 149 LYS CB . 19311 1 856 . 1 1 138 138 LYS N N 15 122.096 0.581 . 1 . . . A 149 LYS N . 19311 1 857 . 1 1 139 139 GLU H H 1 8.613 0.012 . 1 . . . A 150 GLU H . 19311 1 858 . 1 1 139 139 GLU C C 13 174.162 0.000 . 1 . . . A 150 GLU C . 19311 1 859 . 1 1 139 139 GLU CA C 13 56.703 0.039 . 1 . . . A 150 GLU CA . 19311 1 860 . 1 1 139 139 GLU CB C 13 29.037 0.001 . 1 . . . A 150 GLU CB . 19311 1 861 . 1 1 139 139 GLU N N 15 120.070 0.580 . 1 . . . A 150 GLU N . 19311 1 862 . 1 1 140 140 ILE H H 1 6.873 0.013 . 1 . . . A 151 ILE H . 19311 1 863 . 1 1 140 140 ILE HD11 H 1 0.427 0.017 . 1 . . . A 151 ILE HD11 . 19311 1 864 . 1 1 140 140 ILE HD12 H 1 0.427 0.017 . 1 . . . A 151 ILE HD12 . 19311 1 865 . 1 1 140 140 ILE HD13 H 1 0.427 0.017 . 1 . . . A 151 ILE HD13 . 19311 1 866 . 1 1 140 140 ILE C C 13 175.069 0.000 . 1 . . . A 151 ILE C . 19311 1 867 . 1 1 140 140 ILE CA C 13 59.088 0.030 . 1 . . . A 151 ILE CA . 19311 1 868 . 1 1 140 140 ILE CB C 13 39.773 0.028 . 1 . . . A 151 ILE CB . 19311 1 869 . 1 1 140 140 ILE CG1 C 13 26.753 0.000 . 1 . . . A 151 ILE CG1 . 19311 1 870 . 1 1 140 140 ILE CD1 C 13 13.128 0.006 . 1 . . . A 151 ILE CD1 . 19311 1 871 . 1 1 140 140 ILE N N 15 118.006 0.616 . 1 . . . A 151 ILE N . 19311 1 872 . 1 1 141 141 VAL H H 1 8.401 0.016 . 1 . . . A 152 VAL H . 19311 1 873 . 1 1 141 141 VAL HG11 H 1 0.090 0.020 . 2 . . . A 152 VAL HG11 . 19311 1 874 . 1 1 141 141 VAL HG12 H 1 0.090 0.020 . 2 . . . A 152 VAL HG12 . 19311 1 875 . 1 1 141 141 VAL HG13 H 1 0.090 0.020 . 2 . . . A 152 VAL HG13 . 19311 1 876 . 1 1 141 141 VAL HG21 H 1 0.104 0.018 . 2 . . . A 152 VAL HG21 . 19311 1 877 . 1 1 141 141 VAL HG22 H 1 0.104 0.018 . 2 . . . A 152 VAL HG22 . 19311 1 878 . 1 1 141 141 VAL HG23 H 1 0.104 0.018 . 2 . . . A 152 VAL HG23 . 19311 1 879 . 1 1 141 141 VAL CA C 13 56.340 0.053 . 1 . . . A 152 VAL CA . 19311 1 880 . 1 1 141 141 VAL CB C 13 33.340 0.112 . 1 . . . A 152 VAL CB . 19311 1 881 . 1 1 141 141 VAL CG1 C 13 21.836 0.014 . 2 . . . A 152 VAL CG1 . 19311 1 882 . 1 1 141 141 VAL CG2 C 13 17.721 0.027 . 2 . . . A 152 VAL CG2 . 19311 1 883 . 1 1 141 141 VAL N N 15 117.278 0.662 . 1 . . . A 152 VAL N . 19311 1 884 . 1 1 142 142 PRO C C 13 175.090 0.000 . 1 . . . A 153 PRO C . 19311 1 885 . 1 1 142 142 PRO CA C 13 60.885 0.000 . 1 . . . A 153 PRO CA . 19311 1 886 . 1 1 142 142 PRO CB C 13 31.113 0.000 . 1 . . . A 153 PRO CB . 19311 1 887 . 1 1 143 143 VAL H H 1 9.206 0.015 . 1 . . . A 154 VAL H . 19311 1 888 . 1 1 143 143 VAL HG11 H 1 0.752 0.018 . 2 . . . A 154 VAL HG11 . 19311 1 889 . 1 1 143 143 VAL HG12 H 1 0.752 0.018 . 2 . . . A 154 VAL HG12 . 19311 1 890 . 1 1 143 143 VAL HG13 H 1 0.752 0.018 . 2 . . . A 154 VAL HG13 . 19311 1 891 . 1 1 143 143 VAL HG21 H 1 0.674 0.017 . 2 . . . A 154 VAL HG21 . 19311 1 892 . 1 1 143 143 VAL HG22 H 1 0.674 0.017 . 2 . . . A 154 VAL HG22 . 19311 1 893 . 1 1 143 143 VAL HG23 H 1 0.674 0.017 . 2 . . . A 154 VAL HG23 . 19311 1 894 . 1 1 143 143 VAL C C 13 174.325 0.000 . 1 . . . A 154 VAL C . 19311 1 895 . 1 1 143 143 VAL CA C 13 59.700 0.037 . 1 . . . A 154 VAL CA . 19311 1 896 . 1 1 143 143 VAL CB C 13 35.364 0.136 . 1 . . . A 154 VAL CB . 19311 1 897 . 1 1 143 143 VAL CG1 C 13 21.100 0.026 . 2 . . . A 154 VAL CG1 . 19311 1 898 . 1 1 143 143 VAL CG2 C 13 22.246 0.040 . 2 . . . A 154 VAL CG2 . 19311 1 899 . 1 1 143 143 VAL N N 15 124.951 0.619 . 1 . . . A 154 VAL N . 19311 1 900 . 1 1 144 144 LEU H H 1 7.818 0.007 . 1 . . . A 155 LEU H . 19311 1 901 . 1 1 144 144 LEU HD11 H 1 0.676 0.017 . 2 . . . A 155 LEU HD11 . 19311 1 902 . 1 1 144 144 LEU HD12 H 1 0.676 0.017 . 2 . . . A 155 LEU HD12 . 19311 1 903 . 1 1 144 144 LEU HD13 H 1 0.676 0.017 . 2 . . . A 155 LEU HD13 . 19311 1 904 . 1 1 144 144 LEU HD21 H 1 0.865 0.005 . 2 . . . A 155 LEU HD21 . 19311 1 905 . 1 1 144 144 LEU HD22 H 1 0.865 0.005 . 2 . . . A 155 LEU HD22 . 19311 1 906 . 1 1 144 144 LEU HD23 H 1 0.865 0.005 . 2 . . . A 155 LEU HD23 . 19311 1 907 . 1 1 144 144 LEU C C 13 174.865 0.000 . 1 . . . A 155 LEU C . 19311 1 908 . 1 1 144 144 LEU CA C 13 52.543 0.106 . 1 . . . A 155 LEU CA . 19311 1 909 . 1 1 144 144 LEU CB C 13 43.016 0.057 . 1 . . . A 155 LEU CB . 19311 1 910 . 1 1 144 144 LEU CG C 13 25.906 0.054 . 1 . . . A 155 LEU CG . 19311 1 911 . 1 1 144 144 LEU CD1 C 13 23.684 0.020 . 2 . . . A 155 LEU CD1 . 19311 1 912 . 1 1 144 144 LEU CD2 C 13 25.623 0.000 . 2 . . . A 155 LEU CD2 . 19311 1 913 . 1 1 144 144 LEU N N 15 122.272 0.085 . 1 . . . A 155 LEU N . 19311 1 914 . 1 1 145 145 ASN H H 1 9.256 0.014 . 1 . . . A 156 ASN H . 19311 1 915 . 1 1 145 145 ASN C C 13 174.956 0.000 . 1 . . . A 156 ASN C . 19311 1 916 . 1 1 145 145 ASN CA C 13 51.381 0.052 . 1 . . . A 156 ASN CA . 19311 1 917 . 1 1 145 145 ASN CB C 13 38.588 0.035 . 1 . . . A 156 ASN CB . 19311 1 918 . 1 1 145 145 ASN N N 15 126.663 0.642 . 1 . . . A 156 ASN N . 19311 1 919 . 1 1 146 146 VAL H H 1 8.730 0.009 . 1 . . . A 157 VAL H . 19311 1 920 . 1 1 146 146 VAL HG11 H 1 0.670 0.001 . 2 . . . A 157 VAL HG11 . 19311 1 921 . 1 1 146 146 VAL HG12 H 1 0.670 0.001 . 2 . . . A 157 VAL HG12 . 19311 1 922 . 1 1 146 146 VAL HG13 H 1 0.670 0.001 . 2 . . . A 157 VAL HG13 . 19311 1 923 . 1 1 146 146 VAL HG21 H 1 0.673 0.016 . 2 . . . A 157 VAL HG21 . 19311 1 924 . 1 1 146 146 VAL HG22 H 1 0.673 0.016 . 2 . . . A 157 VAL HG22 . 19311 1 925 . 1 1 146 146 VAL HG23 H 1 0.673 0.016 . 2 . . . A 157 VAL HG23 . 19311 1 926 . 1 1 146 146 VAL C C 13 174.990 0.000 . 1 . . . A 157 VAL C . 19311 1 927 . 1 1 146 146 VAL CA C 13 62.737 0.040 . 1 . . . A 157 VAL CA . 19311 1 928 . 1 1 146 146 VAL CB C 13 33.901 0.136 . 1 . . . A 157 VAL CB . 19311 1 929 . 1 1 146 146 VAL CG1 C 13 20.884 0.000 . 2 . . . A 157 VAL CG1 . 19311 1 930 . 1 1 146 146 VAL CG2 C 13 21.978 0.022 . 2 . . . A 157 VAL CG2 . 19311 1 931 . 1 1 146 146 VAL N N 15 126.547 0.391 . 1 . . . A 157 VAL N . 19311 1 932 . 1 1 147 147 ASN H H 1 8.086 0.026 . 1 . . . A 158 ASN H . 19311 1 933 . 1 1 147 147 ASN C C 13 174.151 0.000 . 1 . . . A 158 ASN C . 19311 1 934 . 1 1 147 147 ASN CA C 13 53.155 0.050 . 1 . . . A 158 ASN CA . 19311 1 935 . 1 1 147 147 ASN CB C 13 40.955 0.001 . 1 . . . A 158 ASN CB . 19311 1 936 . 1 1 147 147 ASN N N 15 122.925 0.557 . 1 . . . A 158 ASN N . 19311 1 937 . 1 1 148 148 GLN H H 1 8.013 0.010 . 1 . . . A 159 GLN H . 19311 1 938 . 1 1 148 148 GLN C C 13 174.146 0.000 . 1 . . . A 159 GLN C . 19311 1 939 . 1 1 148 148 GLN CA C 13 54.960 0.038 . 1 . . . A 159 GLN CA . 19311 1 940 . 1 1 148 148 GLN CB C 13 33.259 0.070 . 1 . . . A 159 GLN CB . 19311 1 941 . 1 1 148 148 GLN N N 15 118.639 0.612 . 1 . . . A 159 GLN N . 19311 1 942 . 1 1 149 149 ALA H H 1 8.277 0.009 . 1 . . . A 160 ALA H . 19311 1 943 . 1 1 149 149 ALA C C 13 176.623 0.000 . 1 . . . A 160 ALA C . 19311 1 944 . 1 1 149 149 ALA CA C 13 51.336 0.000 . 1 . . . A 160 ALA CA . 19311 1 945 . 1 1 149 149 ALA CB C 13 20.748 0.029 . 1 . . . A 160 ALA CB . 19311 1 946 . 1 1 149 149 ALA N N 15 121.359 0.540 . 1 . . . A 160 ALA N . 19311 1 947 . 1 1 150 150 THR H H 1 9.101 0.011 . 1 . . . A 161 THR H . 19311 1 948 . 1 1 150 150 THR CA C 13 59.988 0.000 . 1 . . . A 161 THR CA . 19311 1 949 . 1 1 150 150 THR CB C 13 69.766 0.000 . 1 . . . A 161 THR CB . 19311 1 950 . 1 1 150 150 THR N N 15 115.028 0.487 . 1 . . . A 161 THR N . 19311 1 951 . 1 1 151 151 ILE HD11 H 1 0.577 0.015 . 1 . . . A 162 ILE HD11 . 19311 1 952 . 1 1 151 151 ILE HD12 H 1 0.577 0.015 . 1 . . . A 162 ILE HD12 . 19311 1 953 . 1 1 151 151 ILE HD13 H 1 0.577 0.015 . 1 . . . A 162 ILE HD13 . 19311 1 954 . 1 1 151 151 ILE C C 13 175.079 0.000 . 1 . . . A 162 ILE C . 19311 1 955 . 1 1 151 151 ILE CA C 13 62.025 0.032 . 1 . . . A 162 ILE CA . 19311 1 956 . 1 1 151 151 ILE CB C 13 39.360 0.005 . 1 . . . A 162 ILE CB . 19311 1 957 . 1 1 151 151 ILE CG1 C 13 27.177 0.000 . 1 . . . A 162 ILE CG1 . 19311 1 958 . 1 1 151 151 ILE CD1 C 13 12.940 0.008 . 1 . . . A 162 ILE CD1 . 19311 1 959 . 1 1 152 152 PHE H H 1 9.310 0.013 . 1 . . . A 163 PHE H . 19311 1 960 . 1 1 152 152 PHE CA C 13 59.063 0.000 . 1 . . . A 163 PHE CA . 19311 1 961 . 1 1 152 152 PHE CB C 13 39.535 0.000 . 1 . . . A 163 PHE CB . 19311 1 962 . 1 1 152 152 PHE N N 15 128.730 0.664 . 1 . . . A 163 PHE N . 19311 1 963 . 1 1 154 154 ILE HD11 H 1 0.846 0.015 . 1 . . . A 165 ILE HD11 . 19311 1 964 . 1 1 154 154 ILE HD12 H 1 0.846 0.015 . 1 . . . A 165 ILE HD12 . 19311 1 965 . 1 1 154 154 ILE HD13 H 1 0.846 0.015 . 1 . . . A 165 ILE HD13 . 19311 1 966 . 1 1 154 154 ILE C C 13 175.305 0.000 . 1 . . . A 165 ILE C . 19311 1 967 . 1 1 154 154 ILE CA C 13 60.713 0.082 . 1 . . . A 165 ILE CA . 19311 1 968 . 1 1 154 154 ILE CB C 13 38.555 0.012 . 1 . . . A 165 ILE CB . 19311 1 969 . 1 1 154 154 ILE CG1 C 13 26.538 0.000 . 1 . . . A 165 ILE CG1 . 19311 1 970 . 1 1 154 154 ILE CD1 C 13 13.415 0.008 . 1 . . . A 165 ILE CD1 . 19311 1 971 . 1 1 155 155 ASP H H 1 8.400 0.012 . 1 . . . A 166 ASP H . 19311 1 972 . 1 1 155 155 ASP C C 13 175.583 0.000 . 1 . . . A 166 ASP C . 19311 1 973 . 1 1 155 155 ASP CA C 13 53.988 0.038 . 1 . . . A 166 ASP CA . 19311 1 974 . 1 1 155 155 ASP CB C 13 41.109 0.022 . 1 . . . A 166 ASP CB . 19311 1 975 . 1 1 155 155 ASP N N 15 124.971 0.557 . 1 . . . A 166 ASP N . 19311 1 976 . 1 1 156 156 GLN H H 1 8.379 0.011 . 1 . . . A 167 GLN H . 19311 1 977 . 1 1 156 156 GLN C C 13 175.699 0.000 . 1 . . . A 167 GLN C . 19311 1 978 . 1 1 156 156 GLN CA C 13 55.012 0.023 . 1 . . . A 167 GLN CA . 19311 1 979 . 1 1 156 156 GLN CB C 13 28.830 0.001 . 1 . . . A 167 GLN CB . 19311 1 980 . 1 1 156 156 GLN N N 15 122.323 0.553 . 1 . . . A 167 GLN N . 19311 1 981 . 1 1 157 157 VAL H H 1 8.097 0.010 . 1 . . . A 168 VAL H . 19311 1 982 . 1 1 157 157 VAL HG11 H 1 0.932 0.018 . 2 . . . A 168 VAL HG11 . 19311 1 983 . 1 1 157 157 VAL HG12 H 1 0.932 0.018 . 2 . . . A 168 VAL HG12 . 19311 1 984 . 1 1 157 157 VAL HG13 H 1 0.932 0.018 . 2 . . . A 168 VAL HG13 . 19311 1 985 . 1 1 157 157 VAL HG21 H 1 0.908 0.016 . 2 . . . A 168 VAL HG21 . 19311 1 986 . 1 1 157 157 VAL HG22 H 1 0.908 0.016 . 2 . . . A 168 VAL HG22 . 19311 1 987 . 1 1 157 157 VAL HG23 H 1 0.908 0.016 . 2 . . . A 168 VAL HG23 . 19311 1 988 . 1 1 157 157 VAL C C 13 176.586 0.000 . 1 . . . A 168 VAL C . 19311 1 989 . 1 1 157 157 VAL CA C 13 62.315 0.048 . 1 . . . A 168 VAL CA . 19311 1 990 . 1 1 157 157 VAL CB C 13 31.976 0.119 . 1 . . . A 168 VAL CB . 19311 1 991 . 1 1 157 157 VAL CG1 C 13 20.926 0.025 . 2 . . . A 168 VAL CG1 . 19311 1 992 . 1 1 157 157 VAL CG2 C 13 20.772 0.025 . 2 . . . A 168 VAL CG2 . 19311 1 993 . 1 1 157 157 VAL N N 15 122.545 0.623 . 1 . . . A 168 VAL N . 19311 1 994 . 1 1 158 158 GLY H H 1 8.349 0.004 . 1 . . . A 169 GLY H . 19311 1 995 . 1 1 158 158 GLY CA C 13 44.508 0.050 . 1 . . . A 169 GLY CA . 19311 1 996 . 1 1 158 158 GLY N N 15 112.864 0.486 . 1 . . . A 169 GLY N . 19311 1 997 . 1 1 160 160 LEU HD11 H 1 0.500 0.017 . 2 . . . A 171 LEU HD11 . 19311 1 998 . 1 1 160 160 LEU HD12 H 1 0.500 0.017 . 2 . . . A 171 LEU HD12 . 19311 1 999 . 1 1 160 160 LEU HD13 H 1 0.500 0.017 . 2 . . . A 171 LEU HD13 . 19311 1 1000 . 1 1 160 160 LEU HD21 H 1 0.867 0.014 . 2 . . . A 171 LEU HD21 . 19311 1 1001 . 1 1 160 160 LEU HD22 H 1 0.867 0.014 . 2 . . . A 171 LEU HD22 . 19311 1 1002 . 1 1 160 160 LEU HD23 H 1 0.867 0.014 . 2 . . . A 171 LEU HD23 . 19311 1 1003 . 1 1 160 160 LEU C C 13 177.338 0.000 . 1 . . . A 171 LEU C . 19311 1 1004 . 1 1 160 160 LEU CA C 13 54.598 0.111 . 1 . . . A 171 LEU CA . 19311 1 1005 . 1 1 160 160 LEU CB C 13 40.893 0.096 . 1 . . . A 171 LEU CB . 19311 1 1006 . 1 1 160 160 LEU CG C 13 25.944 0.054 . 1 . . . A 171 LEU CG . 19311 1 1007 . 1 1 160 160 LEU CD1 C 13 21.229 0.037 . 2 . . . A 171 LEU CD1 . 19311 1 1008 . 1 1 160 160 LEU CD2 C 13 24.876 0.008 . 2 . . . A 171 LEU CD2 . 19311 1 1009 . 1 1 161 161 SER H H 1 7.985 0.005 . 1 . . . A 172 SER H . 19311 1 1010 . 1 1 161 161 SER C C 13 172.759 0.000 . 1 . . . A 172 SER C . 19311 1 1011 . 1 1 161 161 SER CA C 13 57.862 0.030 . 1 . . . A 172 SER CA . 19311 1 1012 . 1 1 161 161 SER CB C 13 63.116 0.030 . 1 . . . A 172 SER CB . 19311 1 1013 . 1 1 161 161 SER N N 15 117.418 0.477 . 1 . . . A 172 SER N . 19311 1 1014 . 1 1 162 162 THR H H 1 7.922 0.005 . 1 . . . A 173 THR H . 19311 1 1015 . 1 1 162 162 THR C C 13 173.571 0.000 . 1 . . . A 173 THR C . 19311 1 1016 . 1 1 162 162 THR CA C 13 61.126 0.011 . 1 . . . A 173 THR CA . 19311 1 1017 . 1 1 162 162 THR CB C 13 69.260 0.051 . 1 . . . A 173 THR CB . 19311 1 1018 . 1 1 162 162 THR N N 15 116.665 0.453 . 1 . . . A 173 THR N . 19311 1 1019 . 1 1 163 163 PHE H H 1 8.618 0.016 . 1 . . . A 174 PHE H . 19311 1 1020 . 1 1 163 163 PHE CA C 13 54.742 0.000 . 1 . . . A 174 PHE CA . 19311 1 1021 . 1 1 163 163 PHE CB C 13 38.364 0.000 . 1 . . . A 174 PHE CB . 19311 1 1022 . 1 1 163 163 PHE N N 15 125.740 0.544 . 1 . . . A 174 PHE N . 19311 1 1023 . 1 1 164 164 PRO C C 13 178.235 0.000 . 1 . . . A 175 PRO C . 19311 1 1024 . 1 1 164 164 PRO CA C 13 61.555 0.000 . 1 . . . A 175 PRO CA . 19311 1 1025 . 1 1 164 164 PRO CB C 13 31.606 0.000 . 1 . . . A 175 PRO CB . 19311 1 1026 . 1 1 165 165 PHE H H 1 9.179 0.013 . 1 . . . A 176 PHE H . 19311 1 1027 . 1 1 165 165 PHE C C 13 178.361 0.000 . 1 . . . A 176 PHE C . 19311 1 1028 . 1 1 165 165 PHE CA C 13 59.631 0.000 . 1 . . . A 176 PHE CA . 19311 1 1029 . 1 1 165 165 PHE CB C 13 39.493 0.023 . 1 . . . A 176 PHE CB . 19311 1 1030 . 1 1 165 165 PHE N N 15 119.598 0.585 . 1 . . . A 176 PHE N . 19311 1 1031 . 1 1 166 166 VAL H H 1 9.408 0.015 . 1 . . . A 177 VAL H . 19311 1 1032 . 1 1 166 166 VAL HG11 H 1 0.525 0.016 . 2 . . . A 177 VAL HG11 . 19311 1 1033 . 1 1 166 166 VAL HG12 H 1 0.525 0.016 . 2 . . . A 177 VAL HG12 . 19311 1 1034 . 1 1 166 166 VAL HG13 H 1 0.525 0.016 . 2 . . . A 177 VAL HG13 . 19311 1 1035 . 1 1 166 166 VAL HG21 H 1 0.619 0.019 . 2 . . . A 177 VAL HG21 . 19311 1 1036 . 1 1 166 166 VAL HG22 H 1 0.619 0.019 . 2 . . . A 177 VAL HG22 . 19311 1 1037 . 1 1 166 166 VAL HG23 H 1 0.619 0.019 . 2 . . . A 177 VAL HG23 . 19311 1 1038 . 1 1 166 166 VAL C C 13 174.922 0.000 . 1 . . . A 177 VAL C . 19311 1 1039 . 1 1 166 166 VAL CA C 13 62.670 0.009 . 1 . . . A 177 VAL CA . 19311 1 1040 . 1 1 166 166 VAL CB C 13 31.437 0.186 . 1 . . . A 177 VAL CB . 19311 1 1041 . 1 1 166 166 VAL CG1 C 13 19.343 0.020 . 2 . . . A 177 VAL CG1 . 19311 1 1042 . 1 1 166 166 VAL CG2 C 13 20.948 0.019 . 2 . . . A 177 VAL CG2 . 19311 1 1043 . 1 1 166 166 VAL N N 15 121.283 0.545 . 1 . . . A 177 VAL N . 19311 1 1044 . 1 1 167 167 TYR H H 1 6.166 0.017 . 1 . . . A 178 TYR H . 19311 1 1045 . 1 1 167 167 TYR C C 13 176.839 0.000 . 1 . . . A 178 TYR C . 19311 1 1046 . 1 1 167 167 TYR CA C 13 56.575 0.035 . 1 . . . A 178 TYR CA . 19311 1 1047 . 1 1 167 167 TYR CB C 13 35.764 0.031 . 1 . . . A 178 TYR CB . 19311 1 1048 . 1 1 167 167 TYR N N 15 116.602 0.651 . 1 . . . A 178 TYR N . 19311 1 1049 . 1 1 168 168 LYS H H 1 7.554 0.013 . 1 . . . A 179 LYS H . 19311 1 1050 . 1 1 168 168 LYS C C 13 176.384 0.000 . 1 . . . A 179 LYS C . 19311 1 1051 . 1 1 168 168 LYS CA C 13 57.540 0.006 . 1 . . . A 179 LYS CA . 19311 1 1052 . 1 1 168 168 LYS CB C 13 31.024 0.029 . 1 . . . A 179 LYS CB . 19311 1 1053 . 1 1 168 168 LYS N N 15 118.114 0.640 . 1 . . . A 179 LYS N . 19311 1 1054 . 1 1 169 169 TYR H H 1 7.788 0.016 . 1 . . . A 180 TYR H . 19311 1 1055 . 1 1 169 169 TYR C C 13 174.479 0.000 . 1 . . . A 180 TYR C . 19311 1 1056 . 1 1 169 169 TYR CA C 13 57.407 0.000 . 1 . . . A 180 TYR CA . 19311 1 1057 . 1 1 169 169 TYR CB C 13 38.020 0.023 . 1 . . . A 180 TYR CB . 19311 1 1058 . 1 1 169 169 TYR N N 15 117.346 0.624 . 1 . . . A 180 TYR N . 19311 1 1059 . 1 1 170 170 LEU H H 1 6.930 0.012 . 1 . . . A 181 LEU H . 19311 1 1060 . 1 1 170 170 LEU HD11 H 1 0.854 0.014 . 2 . . . A 181 LEU HD11 . 19311 1 1061 . 1 1 170 170 LEU HD12 H 1 0.854 0.014 . 2 . . . A 181 LEU HD12 . 19311 1 1062 . 1 1 170 170 LEU HD13 H 1 0.854 0.014 . 2 . . . A 181 LEU HD13 . 19311 1 1063 . 1 1 170 170 LEU HD21 H 1 1.072 0.014 . 2 . . . A 181 LEU HD21 . 19311 1 1064 . 1 1 170 170 LEU HD22 H 1 1.072 0.014 . 2 . . . A 181 LEU HD22 . 19311 1 1065 . 1 1 170 170 LEU HD23 H 1 1.072 0.014 . 2 . . . A 181 LEU HD23 . 19311 1 1066 . 1 1 170 170 LEU CA C 13 55.386 0.123 . 1 . . . A 181 LEU CA . 19311 1 1067 . 1 1 170 170 LEU CB C 13 42.099 0.081 . 1 . . . A 181 LEU CB . 19311 1 1068 . 1 1 170 170 LEU CG C 13 25.761 0.067 . 1 . . . A 181 LEU CG . 19311 1 1069 . 1 1 170 170 LEU CD1 C 13 22.110 0.010 . 2 . . . A 181 LEU CD1 . 19311 1 1070 . 1 1 170 170 LEU CD2 C 13 26.493 0.036 . 2 . . . A 181 LEU CD2 . 19311 1 1071 . 1 1 170 170 LEU N N 15 125.621 0.640 . 1 . . . A 181 LEU N . 19311 1 stop_ save_