data_10057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10057 _Entry.Title ; Solution structure of Iron-sulfur cluster protein U (IscU) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-30 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Nakanishi . . . 10057 2 T. Tomizawa . . . 10057 3 S. Koshiba . . . 10057 4 M. Inoue . . . 10057 5 T. Kigawa . . . 10057 6 S. Yokoyama . . . 10057 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 10057 '15N chemical shifts' 124 10057 '1H chemical shifts' 852 10057 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-13 2006-11-29 original author . 10057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFZ 'BMRB Entry Tracking System' 10057 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10057 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Iron-sulfur cluster protein U (IscU)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Nakanishi . . . 10057 1 2 T. Tomizawa . . . 10057 1 3 S. Koshiba . . . 10057 1 4 M. Inoue . . . 10057 1 5 T. Kigawa . . . 10057 1 6 S. Yokoyama . . . 10057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10057 _Assembly.ID 1 _Assembly.Name 'nitrogen fixation cluster-like' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _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 'nitrogen fixation cluster-like' 1 $entity_1 . . yes native no no . . . 10057 1 2 'ZINC (II) ION' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 10057 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 1 . 1 CYS 33 33 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10057 1 2 coordination SING . 1 . 1 ASP 35 35 OD2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10057 1 3 coordination SING . 1 . 1 CYS 59 59 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10057 1 4 coordination SING . 1 . 1 HIS 101 101 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10057 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 59 59 HG . . . . 10057 1 . . 1 1 HIS 101 101 HE2 . . . . 10057 1 . . 1 1 CYS 33 33 HG . . . . 10057 1 . . 1 1 ASP 35 35 HD2 . . . . 10057 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WFZ . . . . . . 10057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Iron-sulfur cluster protein U (IscU)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGENPRNVGSLDKTS KNVGTGLVGAPACGDVMKLQ IQVDEKGKIVDARFKTFGCG SAIASSSLATEWVKGKTVEE ALTIKNTDIAKELCLPPVKL HCSMLAEDAIKAALADYKLK QESKSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WFZ . "Solution Structure Of Iron-Sulfur Cluster Protein U (Iscu)" . . . . . 100.00 130 100.00 100.00 1.08e-86 . . . . 10057 1 2 no DBJ BAB26031 . "unnamed protein product [Mus musculus]" . . . . . 90.00 168 100.00 100.00 6.04e-78 . . . . 10057 1 3 no DBJ BAC30464 . "unnamed protein product [Mus musculus]" . . . . . 90.00 168 100.00 100.00 6.04e-78 . . . . 10057 1 4 no DBJ BAC38830 . "unnamed protein product [Mus musculus]" . . . . . 90.00 168 100.00 100.00 6.04e-78 . . . . 10057 1 5 no DBJ BAE91311 . "unnamed protein product [Macaca fascicularis]" . . . . . 91.54 167 98.32 98.32 1.10e-77 . . . . 10057 1 6 no DBJ BAG51892 . "unnamed protein product [Homo sapiens]" . . . . . 73.85 156 100.00 100.00 1.38e-62 . . . . 10057 1 7 no EMBL CAL38012 . "hypothetical protein [synthetic construct]" . . . . . 91.54 167 98.32 98.32 8.94e-78 . . . . 10057 1 8 no GB AAC50885 . "NifU-like protein, partial [Homo sapiens]" . . . . . 89.23 121 98.28 98.28 1.05e-74 . . . . 10057 1 9 no GB AAG37427 . "ISCU1 [Homo sapiens]" . . . . . 91.54 142 98.32 98.32 1.30e-77 . . . . 10057 1 10 no GB AAG37428 . "ISCU2 [Homo sapiens]" . . . . . 91.54 167 98.32 98.32 8.94e-78 . . . . 10057 1 11 no GB AAH11906 . "Iron-sulfur cluster scaffold homolog (E. coli) [Homo sapiens]" . . . . . 91.54 167 98.32 98.32 8.94e-78 . . . . 10057 1 12 no GB AAH28800 . "Iscu protein, partial [Mus musculus]" . . . . . 90.00 166 100.00 100.00 8.94e-78 . . . . 10057 1 13 no REF NP_001069151 . "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Bos taurus]" . . . . . 91.54 167 98.32 99.16 4.40e-78 . . . . 10057 1 14 no REF NP_001099406 . "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Rattus norvegicus]" . . . . . 90.00 167 99.15 100.00 2.14e-77 . . . . 10057 1 15 no REF NP_001230245 . "iron-sulfur cluster scaffold homolog (E. coli)-like [Bos taurus]" . . . . . 91.54 164 97.48 98.32 9.32e-77 . . . . 10057 1 16 no REF NP_001248403 . "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Macaca mulatta]" . . . . . 91.54 167 98.32 98.32 7.59e-78 . . . . 10057 1 17 no REF NP_001270426 . "uncharacterized protein LOC101926203 [Macaca fascicularis]" . . . . . 91.54 167 98.32 98.32 1.10e-77 . . . . 10057 1 18 no SP Q9D7P6 . "RecName: Full=Iron-sulfur cluster assembly enzyme ISCU, mitochondrial; AltName: Full=NifU-like N-terminal domain-containing pro" . . . . . 90.00 168 100.00 100.00 6.04e-78 . . . . 10057 1 19 no SP Q9H1K1 . "RecName: Full=Iron-sulfur cluster assembly enzyme ISCU, mitochondrial; AltName: Full=NifU-like N-terminal domain-containing pro" . . . . . 91.54 167 98.32 98.32 6.45e-78 . . . . 10057 1 20 no TPG DAA20564 . "TPA: iron-sulfur cluster assembly enzyme [Bos taurus]" . . . . . 91.54 167 98.32 99.16 4.40e-78 . . . . 10057 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Iron-sulfur cluster protein U (IscU)' . 10057 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 . GLY . 10057 1 2 . SER . 10057 1 3 . SER . 10057 1 4 . GLY . 10057 1 5 . SER . 10057 1 6 . SER . 10057 1 7 . GLY . 10057 1 8 . GLU . 10057 1 9 . ASN . 10057 1 10 . PRO . 10057 1 11 . ARG . 10057 1 12 . ASN . 10057 1 13 . VAL . 10057 1 14 . GLY . 10057 1 15 . SER . 10057 1 16 . LEU . 10057 1 17 . ASP . 10057 1 18 . LYS . 10057 1 19 . THR . 10057 1 20 . SER . 10057 1 21 . LYS . 10057 1 22 . ASN . 10057 1 23 . VAL . 10057 1 24 . GLY . 10057 1 25 . THR . 10057 1 26 . GLY . 10057 1 27 . LEU . 10057 1 28 . VAL . 10057 1 29 . GLY . 10057 1 30 . ALA . 10057 1 31 . PRO . 10057 1 32 . ALA . 10057 1 33 . CYS . 10057 1 34 . GLY . 10057 1 35 . ASP . 10057 1 36 . VAL . 10057 1 37 . MET . 10057 1 38 . LYS . 10057 1 39 . LEU . 10057 1 40 . GLN . 10057 1 41 . ILE . 10057 1 42 . GLN . 10057 1 43 . VAL . 10057 1 44 . ASP . 10057 1 45 . GLU . 10057 1 46 . LYS . 10057 1 47 . GLY . 10057 1 48 . LYS . 10057 1 49 . ILE . 10057 1 50 . VAL . 10057 1 51 . ASP . 10057 1 52 . ALA . 10057 1 53 . ARG . 10057 1 54 . PHE . 10057 1 55 . LYS . 10057 1 56 . THR . 10057 1 57 . PHE . 10057 1 58 . GLY . 10057 1 59 . CYS . 10057 1 60 . GLY . 10057 1 61 . SER . 10057 1 62 . ALA . 10057 1 63 . ILE . 10057 1 64 . ALA . 10057 1 65 . SER . 10057 1 66 . SER . 10057 1 67 . SER . 10057 1 68 . LEU . 10057 1 69 . ALA . 10057 1 70 . THR . 10057 1 71 . GLU . 10057 1 72 . TRP . 10057 1 73 . VAL . 10057 1 74 . LYS . 10057 1 75 . GLY . 10057 1 76 . LYS . 10057 1 77 . THR . 10057 1 78 . VAL . 10057 1 79 . GLU . 10057 1 80 . GLU . 10057 1 81 . ALA . 10057 1 82 . LEU . 10057 1 83 . THR . 10057 1 84 . ILE . 10057 1 85 . LYS . 10057 1 86 . ASN . 10057 1 87 . THR . 10057 1 88 . ASP . 10057 1 89 . ILE . 10057 1 90 . ALA . 10057 1 91 . LYS . 10057 1 92 . GLU . 10057 1 93 . LEU . 10057 1 94 . CYS . 10057 1 95 . LEU . 10057 1 96 . PRO . 10057 1 97 . PRO . 10057 1 98 . VAL . 10057 1 99 . LYS . 10057 1 100 . LEU . 10057 1 101 . HIS . 10057 1 102 . CYS . 10057 1 103 . SER . 10057 1 104 . MET . 10057 1 105 . LEU . 10057 1 106 . ALA . 10057 1 107 . GLU . 10057 1 108 . ASP . 10057 1 109 . ALA . 10057 1 110 . ILE . 10057 1 111 . LYS . 10057 1 112 . ALA . 10057 1 113 . ALA . 10057 1 114 . LEU . 10057 1 115 . ALA . 10057 1 116 . ASP . 10057 1 117 . TYR . 10057 1 118 . LYS . 10057 1 119 . LEU . 10057 1 120 . LYS . 10057 1 121 . GLN . 10057 1 122 . GLU . 10057 1 123 . SER . 10057 1 124 . LYS . 10057 1 125 . SER . 10057 1 126 . GLY . 10057 1 127 . PRO . 10057 1 128 . SER . 10057 1 129 . SER . 10057 1 130 . GLY . 10057 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10057 1 . SER 2 2 10057 1 . SER 3 3 10057 1 . GLY 4 4 10057 1 . SER 5 5 10057 1 . SER 6 6 10057 1 . GLY 7 7 10057 1 . GLU 8 8 10057 1 . ASN 9 9 10057 1 . PRO 10 10 10057 1 . ARG 11 11 10057 1 . ASN 12 12 10057 1 . VAL 13 13 10057 1 . GLY 14 14 10057 1 . SER 15 15 10057 1 . LEU 16 16 10057 1 . ASP 17 17 10057 1 . LYS 18 18 10057 1 . THR 19 19 10057 1 . SER 20 20 10057 1 . LYS 21 21 10057 1 . ASN 22 22 10057 1 . VAL 23 23 10057 1 . GLY 24 24 10057 1 . THR 25 25 10057 1 . GLY 26 26 10057 1 . LEU 27 27 10057 1 . VAL 28 28 10057 1 . GLY 29 29 10057 1 . ALA 30 30 10057 1 . PRO 31 31 10057 1 . ALA 32 32 10057 1 . CYS 33 33 10057 1 . GLY 34 34 10057 1 . ASP 35 35 10057 1 . VAL 36 36 10057 1 . MET 37 37 10057 1 . LYS 38 38 10057 1 . LEU 39 39 10057 1 . GLN 40 40 10057 1 . ILE 41 41 10057 1 . GLN 42 42 10057 1 . VAL 43 43 10057 1 . ASP 44 44 10057 1 . GLU 45 45 10057 1 . LYS 46 46 10057 1 . GLY 47 47 10057 1 . LYS 48 48 10057 1 . ILE 49 49 10057 1 . VAL 50 50 10057 1 . ASP 51 51 10057 1 . ALA 52 52 10057 1 . ARG 53 53 10057 1 . PHE 54 54 10057 1 . LYS 55 55 10057 1 . THR 56 56 10057 1 . PHE 57 57 10057 1 . GLY 58 58 10057 1 . CYS 59 59 10057 1 . GLY 60 60 10057 1 . SER 61 61 10057 1 . ALA 62 62 10057 1 . ILE 63 63 10057 1 . ALA 64 64 10057 1 . SER 65 65 10057 1 . SER 66 66 10057 1 . SER 67 67 10057 1 . LEU 68 68 10057 1 . ALA 69 69 10057 1 . THR 70 70 10057 1 . GLU 71 71 10057 1 . TRP 72 72 10057 1 . VAL 73 73 10057 1 . LYS 74 74 10057 1 . GLY 75 75 10057 1 . LYS 76 76 10057 1 . THR 77 77 10057 1 . VAL 78 78 10057 1 . GLU 79 79 10057 1 . GLU 80 80 10057 1 . ALA 81 81 10057 1 . LEU 82 82 10057 1 . THR 83 83 10057 1 . ILE 84 84 10057 1 . LYS 85 85 10057 1 . ASN 86 86 10057 1 . THR 87 87 10057 1 . ASP 88 88 10057 1 . ILE 89 89 10057 1 . ALA 90 90 10057 1 . LYS 91 91 10057 1 . GLU 92 92 10057 1 . LEU 93 93 10057 1 . CYS 94 94 10057 1 . LEU 95 95 10057 1 . PRO 96 96 10057 1 . PRO 97 97 10057 1 . VAL 98 98 10057 1 . LYS 99 99 10057 1 . LEU 100 100 10057 1 . HIS 101 101 10057 1 . CYS 102 102 10057 1 . SER 103 103 10057 1 . MET 104 104 10057 1 . LEU 105 105 10057 1 . ALA 106 106 10057 1 . GLU 107 107 10057 1 . ASP 108 108 10057 1 . ALA 109 109 10057 1 . ILE 110 110 10057 1 . LYS 111 111 10057 1 . ALA 112 112 10057 1 . ALA 113 113 10057 1 . LEU 114 114 10057 1 . ALA 115 115 10057 1 . ASP 116 116 10057 1 . TYR 117 117 10057 1 . LYS 118 118 10057 1 . LEU 119 119 10057 1 . LYS 120 120 10057 1 . GLN 121 121 10057 1 . GLU 122 122 10057 1 . SER 123 123 10057 1 . LYS 124 124 10057 1 . SER 125 125 10057 1 . GLY 126 126 10057 1 . PRO 127 127 10057 1 . SER 128 128 10057 1 . SER 129 129 10057 1 . GLY 130 130 10057 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10057 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 10057 2 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 10057 _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_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10057 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 10057 _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_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P020826-02 . . . . . . 10057 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 10057 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 21 15:29:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 10057 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10057 ZN [Zn++] SMILES CACTVS 3.341 10057 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10057 ZN [Zn+2] SMILES ACDLabs 10.04 10057 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10057 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10057 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 10057 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10057 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 10057 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10057 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'IscU domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.12 . . mM . . . . 10057 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10057 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10057 1 4 d-DTT . . . . . . salt 10 . . mM . . . . 10057 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10057 1 6 ZnCl2 . . . . . . . 0.01 . . mM . . . . 10057 1 7 H2O . . . . . . solvent 90 . . % . . . . 10057 1 8 D2O . . . . . . solvent 10 . . % . . . . 10057 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10057 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10057 1 pH 7.0 0.05 pH 10057 1 pressure 1 0.001 atm 10057 1 temperature 298 0.1 K 10057 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10057 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10057 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10057 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10057 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10057 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10057 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10057 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10057 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10057 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10057 _Software.ID 4 _Software.Name Kujira _Software.Version 0.870 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10057 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10057 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10057 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10057 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement" 10057 5 'structure solution' 10057 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10057 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10057 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10057 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10057 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10057 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10057 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10057 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10057 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10057 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10057 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 6 6 SER HA H 1 4.509 0.030 . 1 . . . . 6 SER HA . 10057 1 2 . 1 1 6 6 SER HB2 H 1 3.934 0.030 . 1 . . . . 6 SER HB2 . 10057 1 3 . 1 1 6 6 SER HB3 H 1 3.934 0.030 . 1 . . . . 6 SER HB3 . 10057 1 4 . 1 1 6 6 SER C C 13 175.085 0.300 . 1 . . . . 6 SER C . 10057 1 5 . 1 1 6 6 SER CA C 13 58.733 0.300 . 1 . . . . 6 SER CA . 10057 1 6 . 1 1 6 6 SER CB C 13 63.968 0.300 . 1 . . . . 6 SER CB . 10057 1 7 . 1 1 7 7 GLY H H 1 8.400 0.030 . 1 . . . . 7 GLY H . 10057 1 8 . 1 1 7 7 GLY HA2 H 1 3.990 0.030 . 1 . . . . 7 GLY HA2 . 10057 1 9 . 1 1 7 7 GLY HA3 H 1 3.990 0.030 . 1 . . . . 7 GLY HA3 . 10057 1 10 . 1 1 7 7 GLY C C 13 173.983 0.300 . 1 . . . . 7 GLY C . 10057 1 11 . 1 1 7 7 GLY CA C 13 45.411 0.300 . 1 . . . . 7 GLY CA . 10057 1 12 . 1 1 7 7 GLY N N 15 110.613 0.300 . 1 . . . . 7 GLY N . 10057 1 13 . 1 1 8 8 GLU H H 1 8.223 0.030 . 1 . . . . 8 GLU H . 10057 1 14 . 1 1 8 8 GLU HA H 1 4.301 0.030 . 1 . . . . 8 GLU HA . 10057 1 15 . 1 1 8 8 GLU HB2 H 1 1.913 0.030 . 2 . . . . 8 GLU HB2 . 10057 1 16 . 1 1 8 8 GLU HB3 H 1 2.036 0.030 . 2 . . . . 8 GLU HB3 . 10057 1 17 . 1 1 8 8 GLU HG2 H 1 2.247 0.030 . 1 . . . . 8 GLU HG2 . 10057 1 18 . 1 1 8 8 GLU HG3 H 1 2.247 0.030 . 1 . . . . 8 GLU HG3 . 10057 1 19 . 1 1 8 8 GLU C C 13 176.058 0.300 . 1 . . . . 8 GLU C . 10057 1 20 . 1 1 8 8 GLU CA C 13 56.322 0.300 . 1 . . . . 8 GLU CA . 10057 1 21 . 1 1 8 8 GLU CB C 13 30.549 0.300 . 1 . . . . 8 GLU CB . 10057 1 22 . 1 1 8 8 GLU CG C 13 36.219 0.300 . 1 . . . . 8 GLU CG . 10057 1 23 . 1 1 8 8 GLU N N 15 120.198 0.300 . 1 . . . . 8 GLU N . 10057 1 24 . 1 1 9 9 ASN H H 1 8.520 0.030 . 1 . . . . 9 ASN H . 10057 1 25 . 1 1 9 9 ASN HA H 1 4.972 0.030 . 1 . . . . 9 ASN HA . 10057 1 26 . 1 1 9 9 ASN HB2 H 1 2.723 0.030 . 2 . . . . 9 ASN HB2 . 10057 1 27 . 1 1 9 9 ASN HB3 H 1 2.860 0.030 . 2 . . . . 9 ASN HB3 . 10057 1 28 . 1 1 9 9 ASN HD21 H 1 6.964 0.030 . 2 . . . . 9 ASN HD21 . 10057 1 29 . 1 1 9 9 ASN HD22 H 1 7.650 0.030 . 2 . . . . 9 ASN HD22 . 10057 1 30 . 1 1 9 9 ASN C C 13 173.540 0.300 . 1 . . . . 9 ASN C . 10057 1 31 . 1 1 9 9 ASN CA C 13 51.387 0.300 . 1 . . . . 9 ASN CA . 10057 1 32 . 1 1 9 9 ASN CB C 13 38.926 0.300 . 1 . . . . 9 ASN CB . 10057 1 33 . 1 1 9 9 ASN N N 15 120.928 0.300 . 1 . . . . 9 ASN N . 10057 1 34 . 1 1 9 9 ASN ND2 N 15 113.159 0.300 . 1 . . . . 9 ASN ND2 . 10057 1 35 . 1 1 10 10 PRO HA H 1 4.443 0.030 . 1 . . . . 10 PRO HA . 10057 1 36 . 1 1 10 10 PRO HB2 H 1 2.338 0.030 . 2 . . . . 10 PRO HB2 . 10057 1 37 . 1 1 10 10 PRO HB3 H 1 1.962 0.030 . 2 . . . . 10 PRO HB3 . 10057 1 38 . 1 1 10 10 PRO HG2 H 1 2.045 0.030 . 1 . . . . 10 PRO HG2 . 10057 1 39 . 1 1 10 10 PRO HG3 H 1 2.045 0.030 . 1 . . . . 10 PRO HG3 . 10057 1 40 . 1 1 10 10 PRO HD2 H 1 3.846 0.030 . 2 . . . . 10 PRO HD2 . 10057 1 41 . 1 1 10 10 PRO HD3 H 1 3.736 0.030 . 2 . . . . 10 PRO HD3 . 10057 1 42 . 1 1 10 10 PRO CA C 13 63.567 0.300 . 1 . . . . 10 PRO CA . 10057 1 43 . 1 1 10 10 PRO CB C 13 32.287 0.300 . 1 . . . . 10 PRO CB . 10057 1 44 . 1 1 10 10 PRO CG C 13 27.366 0.300 . 1 . . . . 10 PRO CG . 10057 1 45 . 1 1 10 10 PRO CD C 13 50.824 0.300 . 1 . . . . 10 PRO CD . 10057 1 46 . 1 1 11 11 ARG H H 1 8.359 0.030 . 1 . . . . 11 ARG H . 10057 1 47 . 1 1 11 11 ARG HA H 1 4.280 0.030 . 1 . . . . 11 ARG HA . 10057 1 48 . 1 1 11 11 ARG HB2 H 1 1.858 0.030 . 2 . . . . 11 ARG HB2 . 10057 1 49 . 1 1 11 11 ARG HB3 H 1 1.782 0.030 . 2 . . . . 11 ARG HB3 . 10057 1 50 . 1 1 11 11 ARG HG2 H 1 1.696 0.030 . 2 . . . . 11 ARG HG2 . 10057 1 51 . 1 1 11 11 ARG HG3 H 1 1.646 0.030 . 2 . . . . 11 ARG HG3 . 10057 1 52 . 1 1 11 11 ARG HD2 H 1 3.224 0.030 . 1 . . . . 11 ARG HD2 . 10057 1 53 . 1 1 11 11 ARG HD3 H 1 3.224 0.030 . 1 . . . . 11 ARG HD3 . 10057 1 54 . 1 1 11 11 ARG CA C 13 56.554 0.300 . 1 . . . . 11 ARG CA . 10057 1 55 . 1 1 11 11 ARG CB C 13 30.657 0.300 . 1 . . . . 11 ARG CB . 10057 1 56 . 1 1 11 11 ARG CG C 13 27.290 0.300 . 1 . . . . 11 ARG CG . 10057 1 57 . 1 1 11 11 ARG CD C 13 43.373 0.300 . 1 . . . . 11 ARG CD . 10057 1 58 . 1 1 11 11 ARG N N 15 119.939 0.300 . 1 . . . . 11 ARG N . 10057 1 59 . 1 1 12 12 ASN H H 1 8.368 0.030 . 1 . . . . 12 ASN H . 10057 1 60 . 1 1 12 12 ASN HA H 1 4.710 0.030 . 1 . . . . 12 ASN HA . 10057 1 61 . 1 1 12 12 ASN HB2 H 1 2.993 0.030 . 2 . . . . 12 ASN HB2 . 10057 1 62 . 1 1 12 12 ASN HB3 H 1 2.956 0.030 . 2 . . . . 12 ASN HB3 . 10057 1 63 . 1 1 12 12 ASN HD21 H 1 7.078 0.030 . 2 . . . . 12 ASN HD21 . 10057 1 64 . 1 1 12 12 ASN HD22 H 1 7.678 0.030 . 2 . . . . 12 ASN HD22 . 10057 1 65 . 1 1 12 12 ASN C C 13 174.771 0.300 . 1 . . . . 12 ASN C . 10057 1 66 . 1 1 12 12 ASN CA C 13 53.415 0.300 . 1 . . . . 12 ASN CA . 10057 1 67 . 1 1 12 12 ASN CB C 13 38.558 0.300 . 1 . . . . 12 ASN CB . 10057 1 68 . 1 1 12 12 ASN N N 15 117.946 0.300 . 1 . . . . 12 ASN N . 10057 1 69 . 1 1 12 12 ASN ND2 N 15 112.893 0.300 . 1 . . . . 12 ASN ND2 . 10057 1 70 . 1 1 13 13 VAL H H 1 7.791 0.030 . 1 . . . . 13 VAL H . 10057 1 71 . 1 1 13 13 VAL HA H 1 4.120 0.030 . 1 . . . . 13 VAL HA . 10057 1 72 . 1 1 13 13 VAL HB H 1 2.040 0.030 . 1 . . . . 13 VAL HB . 10057 1 73 . 1 1 13 13 VAL HG11 H 1 0.890 0.030 . 1 . . . . 13 VAL HG1 . 10057 1 74 . 1 1 13 13 VAL HG12 H 1 0.890 0.030 . 1 . . . . 13 VAL HG1 . 10057 1 75 . 1 1 13 13 VAL HG13 H 1 0.890 0.030 . 1 . . . . 13 VAL HG1 . 10057 1 76 . 1 1 13 13 VAL HG21 H 1 0.854 0.030 . 1 . . . . 13 VAL HG2 . 10057 1 77 . 1 1 13 13 VAL HG22 H 1 0.854 0.030 . 1 . . . . 13 VAL HG2 . 10057 1 78 . 1 1 13 13 VAL HG23 H 1 0.854 0.030 . 1 . . . . 13 VAL HG2 . 10057 1 79 . 1 1 13 13 VAL C C 13 176.806 0.300 . 1 . . . . 13 VAL C . 10057 1 80 . 1 1 13 13 VAL CA C 13 62.081 0.300 . 1 . . . . 13 VAL CA . 10057 1 81 . 1 1 13 13 VAL CB C 13 32.613 0.300 . 1 . . . . 13 VAL CB . 10057 1 82 . 1 1 13 13 VAL CG1 C 13 21.197 0.300 . 2 . . . . 13 VAL CG1 . 10057 1 83 . 1 1 13 13 VAL CG2 C 13 20.755 0.300 . 2 . . . . 13 VAL CG2 . 10057 1 84 . 1 1 13 13 VAL N N 15 119.244 0.300 . 1 . . . . 13 VAL N . 10057 1 85 . 1 1 14 14 GLY H H 1 8.483 0.030 . 1 . . . . 14 GLY H . 10057 1 86 . 1 1 14 14 GLY HA2 H 1 4.117 0.030 . 2 . . . . 14 GLY HA2 . 10057 1 87 . 1 1 14 14 GLY HA3 H 1 3.927 0.030 . 2 . . . . 14 GLY HA3 . 10057 1 88 . 1 1 14 14 GLY C C 13 173.150 0.300 . 1 . . . . 14 GLY C . 10057 1 89 . 1 1 14 14 GLY CA C 13 45.149 0.300 . 1 . . . . 14 GLY CA . 10057 1 90 . 1 1 14 14 GLY N N 15 112.717 0.300 . 1 . . . . 14 GLY N . 10057 1 91 . 1 1 15 15 SER H H 1 8.184 0.030 . 1 . . . . 15 SER H . 10057 1 92 . 1 1 15 15 SER HA H 1 4.519 0.030 . 1 . . . . 15 SER HA . 10057 1 93 . 1 1 15 15 SER HB2 H 1 3.829 0.030 . 2 . . . . 15 SER HB2 . 10057 1 94 . 1 1 15 15 SER HB3 H 1 3.881 0.030 . 2 . . . . 15 SER HB3 . 10057 1 95 . 1 1 15 15 SER C C 13 174.048 0.300 . 1 . . . . 15 SER C . 10057 1 96 . 1 1 15 15 SER CA C 13 57.935 0.300 . 1 . . . . 15 SER CA . 10057 1 97 . 1 1 15 15 SER CB C 13 64.868 0.300 . 1 . . . . 15 SER CB . 10057 1 98 . 1 1 15 15 SER N N 15 114.834 0.300 . 1 . . . . 15 SER N . 10057 1 99 . 1 1 16 16 LEU H H 1 8.399 0.030 . 1 . . . . 16 LEU H . 10057 1 100 . 1 1 16 16 LEU HA H 1 4.449 0.030 . 1 . . . . 16 LEU HA . 10057 1 101 . 1 1 16 16 LEU HB2 H 1 1.413 0.030 . 2 . . . . 16 LEU HB2 . 10057 1 102 . 1 1 16 16 LEU HB3 H 1 1.325 0.030 . 2 . . . . 16 LEU HB3 . 10057 1 103 . 1 1 16 16 LEU HG H 1 1.378 0.030 . 1 . . . . 16 LEU HG . 10057 1 104 . 1 1 16 16 LEU HD11 H 1 0.693 0.030 . 1 . . . . 16 LEU HD1 . 10057 1 105 . 1 1 16 16 LEU HD12 H 1 0.693 0.030 . 1 . . . . 16 LEU HD1 . 10057 1 106 . 1 1 16 16 LEU HD13 H 1 0.693 0.030 . 1 . . . . 16 LEU HD1 . 10057 1 107 . 1 1 16 16 LEU HD21 H 1 0.781 0.030 . 1 . . . . 16 LEU HD2 . 10057 1 108 . 1 1 16 16 LEU HD22 H 1 0.781 0.030 . 1 . . . . 16 LEU HD2 . 10057 1 109 . 1 1 16 16 LEU HD23 H 1 0.781 0.030 . 1 . . . . 16 LEU HD2 . 10057 1 110 . 1 1 16 16 LEU C C 13 176.492 0.300 . 1 . . . . 16 LEU C . 10057 1 111 . 1 1 16 16 LEU CA C 13 54.074 0.300 . 1 . . . . 16 LEU CA . 10057 1 112 . 1 1 16 16 LEU CB C 13 42.847 0.300 . 1 . . . . 16 LEU CB . 10057 1 113 . 1 1 16 16 LEU CG C 13 27.163 0.300 . 1 . . . . 16 LEU CG . 10057 1 114 . 1 1 16 16 LEU CD1 C 13 25.669 0.300 . 2 . . . . 16 LEU CD1 . 10057 1 115 . 1 1 16 16 LEU CD2 C 13 22.782 0.300 . 2 . . . . 16 LEU CD2 . 10057 1 116 . 1 1 16 16 LEU N N 15 122.369 0.300 . 1 . . . . 16 LEU N . 10057 1 117 . 1 1 17 17 ASP H H 1 8.341 0.030 . 1 . . . . 17 ASP H . 10057 1 118 . 1 1 17 17 ASP HA H 1 4.507 0.030 . 1 . . . . 17 ASP HA . 10057 1 119 . 1 1 17 17 ASP HB2 H 1 2.867 0.030 . 2 . . . . 17 ASP HB2 . 10057 1 120 . 1 1 17 17 ASP HB3 H 1 2.617 0.030 . 2 . . . . 17 ASP HB3 . 10057 1 121 . 1 1 17 17 ASP C C 13 176.653 0.300 . 1 . . . . 17 ASP C . 10057 1 122 . 1 1 17 17 ASP CA C 13 54.015 0.300 . 1 . . . . 17 ASP CA . 10057 1 123 . 1 1 17 17 ASP CB C 13 40.890 0.300 . 1 . . . . 17 ASP CB . 10057 1 124 . 1 1 17 17 ASP N N 15 120.346 0.300 . 1 . . . . 17 ASP N . 10057 1 125 . 1 1 18 18 LYS H H 1 8.319 0.030 . 1 . . . . 18 LYS H . 10057 1 126 . 1 1 18 18 LYS HA H 1 4.011 0.030 . 1 . . . . 18 LYS HA . 10057 1 127 . 1 1 18 18 LYS HB2 H 1 1.978 0.030 . 2 . . . . 18 LYS HB2 . 10057 1 128 . 1 1 18 18 LYS HB3 H 1 1.793 0.030 . 2 . . . . 18 LYS HB3 . 10057 1 129 . 1 1 18 18 LYS HG2 H 1 1.539 0.030 . 2 . . . . 18 LYS HG2 . 10057 1 130 . 1 1 18 18 LYS HG3 H 1 1.394 0.030 . 2 . . . . 18 LYS HG3 . 10057 1 131 . 1 1 18 18 LYS HD2 H 1 1.719 0.030 . 1 . . . . 18 LYS HD2 . 10057 1 132 . 1 1 18 18 LYS HD3 H 1 1.719 0.030 . 1 . . . . 18 LYS HD3 . 10057 1 133 . 1 1 18 18 LYS HE2 H 1 3.004 0.030 . 1 . . . . 18 LYS HE2 . 10057 1 134 . 1 1 18 18 LYS HE3 H 1 3.004 0.030 . 1 . . . . 18 LYS HE3 . 10057 1 135 . 1 1 18 18 LYS C C 13 176.938 0.300 . 1 . . . . 18 LYS C . 10057 1 136 . 1 1 18 18 LYS CA C 13 57.942 0.300 . 1 . . . . 18 LYS CA . 10057 1 137 . 1 1 18 18 LYS CB C 13 32.258 0.300 . 1 . . . . 18 LYS CB . 10057 1 138 . 1 1 18 18 LYS CG C 13 24.412 0.300 . 1 . . . . 18 LYS CG . 10057 1 139 . 1 1 18 18 LYS CD C 13 29.442 0.300 . 1 . . . . 18 LYS CD . 10057 1 140 . 1 1 18 18 LYS CE C 13 42.005 0.300 . 1 . . . . 18 LYS CE . 10057 1 141 . 1 1 18 18 LYS N N 15 124.207 0.300 . 1 . . . . 18 LYS N . 10057 1 142 . 1 1 19 19 THR H H 1 8.418 0.030 . 1 . . . . 19 THR H . 10057 1 143 . 1 1 19 19 THR HA H 1 4.327 0.030 . 1 . . . . 19 THR HA . 10057 1 144 . 1 1 19 19 THR HB H 1 4.339 0.030 . 1 . . . . 19 THR HB . 10057 1 145 . 1 1 19 19 THR HG21 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 10057 1 146 . 1 1 19 19 THR HG22 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 10057 1 147 . 1 1 19 19 THR HG23 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 10057 1 148 . 1 1 19 19 THR C C 13 175.471 0.300 . 1 . . . . 19 THR C . 10057 1 149 . 1 1 19 19 THR CA C 13 62.475 0.300 . 1 . . . . 19 THR CA . 10057 1 150 . 1 1 19 19 THR CB C 13 69.548 0.300 . 1 . . . . 19 THR CB . 10057 1 151 . 1 1 19 19 THR CG2 C 13 21.959 0.300 . 1 . . . . 19 THR CG2 . 10057 1 152 . 1 1 19 19 THR N N 15 111.410 0.300 . 1 . . . . 19 THR N . 10057 1 153 . 1 1 20 20 SER H H 1 7.687 0.030 . 1 . . . . 20 SER H . 10057 1 154 . 1 1 20 20 SER HA H 1 4.464 0.030 . 1 . . . . 20 SER HA . 10057 1 155 . 1 1 20 20 SER HB2 H 1 3.997 0.030 . 1 . . . . 20 SER HB2 . 10057 1 156 . 1 1 20 20 SER HB3 H 1 3.997 0.030 . 1 . . . . 20 SER HB3 . 10057 1 157 . 1 1 20 20 SER C C 13 176.476 0.300 . 1 . . . . 20 SER C . 10057 1 158 . 1 1 20 20 SER CA C 13 57.882 0.300 . 1 . . . . 20 SER CA . 10057 1 159 . 1 1 20 20 SER CB C 13 63.641 0.300 . 1 . . . . 20 SER CB . 10057 1 160 . 1 1 20 20 SER N N 15 117.352 0.300 . 1 . . . . 20 SER N . 10057 1 161 . 1 1 21 21 LYS H H 1 8.916 0.030 . 1 . . . . 21 LYS H . 10057 1 162 . 1 1 21 21 LYS HA H 1 4.213 0.030 . 1 . . . . 21 LYS HA . 10057 1 163 . 1 1 21 21 LYS HB2 H 1 1.866 0.030 . 1 . . . . 21 LYS HB2 . 10057 1 164 . 1 1 21 21 LYS HB3 H 1 1.866 0.030 . 1 . . . . 21 LYS HB3 . 10057 1 165 . 1 1 21 21 LYS HG2 H 1 1.538 0.030 . 1 . . . . 21 LYS HG2 . 10057 1 166 . 1 1 21 21 LYS HG3 H 1 1.538 0.030 . 1 . . . . 21 LYS HG3 . 10057 1 167 . 1 1 21 21 LYS HD2 H 1 1.804 0.030 . 1 . . . . 21 LYS HD2 . 10057 1 168 . 1 1 21 21 LYS HD3 H 1 1.804 0.030 . 1 . . . . 21 LYS HD3 . 10057 1 169 . 1 1 21 21 LYS HE2 H 1 3.050 0.030 . 1 . . . . 21 LYS HE2 . 10057 1 170 . 1 1 21 21 LYS HE3 H 1 3.050 0.030 . 1 . . . . 21 LYS HE3 . 10057 1 171 . 1 1 21 21 LYS C C 13 174.723 0.300 . 1 . . . . 21 LYS C . 10057 1 172 . 1 1 21 21 LYS CA C 13 58.281 0.300 . 1 . . . . 21 LYS CA . 10057 1 173 . 1 1 21 21 LYS CB C 13 32.603 0.300 . 1 . . . . 21 LYS CB . 10057 1 174 . 1 1 21 21 LYS CG C 13 25.334 0.300 . 1 . . . . 21 LYS CG . 10057 1 175 . 1 1 21 21 LYS CD C 13 29.367 0.300 . 1 . . . . 21 LYS CD . 10057 1 176 . 1 1 21 21 LYS CE C 13 42.126 0.300 . 1 . . . . 21 LYS CE . 10057 1 177 . 1 1 21 21 LYS N N 15 127.022 0.300 . 1 . . . . 21 LYS N . 10057 1 178 . 1 1 22 22 ASN H H 1 8.143 0.030 . 1 . . . . 22 ASN H . 10057 1 179 . 1 1 22 22 ASN HA H 1 5.056 0.030 . 1 . . . . 22 ASN HA . 10057 1 180 . 1 1 22 22 ASN HB2 H 1 3.538 0.030 . 2 . . . . 22 ASN HB2 . 10057 1 181 . 1 1 22 22 ASN HB3 H 1 3.007 0.030 . 2 . . . . 22 ASN HB3 . 10057 1 182 . 1 1 22 22 ASN HD21 H 1 7.564 0.030 . 2 . . . . 22 ASN HD21 . 10057 1 183 . 1 1 22 22 ASN HD22 H 1 6.988 0.030 . 2 . . . . 22 ASN HD22 . 10057 1 184 . 1 1 22 22 ASN C C 13 173.125 0.300 . 1 . . . . 22 ASN C . 10057 1 185 . 1 1 22 22 ASN CA C 13 53.024 0.300 . 1 . . . . 22 ASN CA . 10057 1 186 . 1 1 22 22 ASN CB C 13 38.790 0.300 . 1 . . . . 22 ASN CB . 10057 1 187 . 1 1 22 22 ASN N N 15 113.167 0.300 . 1 . . . . 22 ASN N . 10057 1 188 . 1 1 22 22 ASN ND2 N 15 112.343 0.300 . 1 . . . . 22 ASN ND2 . 10057 1 189 . 1 1 23 23 VAL H H 1 7.312 0.030 . 1 . . . . 23 VAL H . 10057 1 190 . 1 1 23 23 VAL HA H 1 5.402 0.030 . 1 . . . . 23 VAL HA . 10057 1 191 . 1 1 23 23 VAL HB H 1 1.940 0.030 . 1 . . . . 23 VAL HB . 10057 1 192 . 1 1 23 23 VAL HG11 H 1 0.925 0.030 . 1 . . . . 23 VAL HG1 . 10057 1 193 . 1 1 23 23 VAL HG12 H 1 0.925 0.030 . 1 . . . . 23 VAL HG1 . 10057 1 194 . 1 1 23 23 VAL HG13 H 1 0.925 0.030 . 1 . . . . 23 VAL HG1 . 10057 1 195 . 1 1 23 23 VAL HG21 H 1 0.731 0.030 . 1 . . . . 23 VAL HG2 . 10057 1 196 . 1 1 23 23 VAL HG22 H 1 0.731 0.030 . 1 . . . . 23 VAL HG2 . 10057 1 197 . 1 1 23 23 VAL HG23 H 1 0.731 0.030 . 1 . . . . 23 VAL HG2 . 10057 1 198 . 1 1 23 23 VAL C C 13 176.299 0.300 . 1 . . . . 23 VAL C . 10057 1 199 . 1 1 23 23 VAL CA C 13 59.981 0.300 . 1 . . . . 23 VAL CA . 10057 1 200 . 1 1 23 23 VAL CB C 13 35.411 0.300 . 1 . . . . 23 VAL CB . 10057 1 201 . 1 1 23 23 VAL CG1 C 13 22.204 0.300 . 2 . . . . 23 VAL CG1 . 10057 1 202 . 1 1 23 23 VAL CG2 C 13 21.117 0.300 . 2 . . . . 23 VAL CG2 . 10057 1 203 . 1 1 23 23 VAL N N 15 118.792 0.300 . 1 . . . . 23 VAL N . 10057 1 204 . 1 1 24 24 GLY H H 1 8.804 0.030 . 1 . . . . 24 GLY H . 10057 1 205 . 1 1 24 24 GLY HA2 H 1 5.215 0.030 . 2 . . . . 24 GLY HA2 . 10057 1 206 . 1 1 24 24 GLY HA3 H 1 3.834 0.030 . 2 . . . . 24 GLY HA3 . 10057 1 207 . 1 1 24 24 GLY C C 13 172.862 0.300 . 1 . . . . 24 GLY C . 10057 1 208 . 1 1 24 24 GLY CA C 13 44.095 0.300 . 1 . . . . 24 GLY CA . 10057 1 209 . 1 1 24 24 GLY N N 15 112.565 0.300 . 1 . . . . 24 GLY N . 10057 1 210 . 1 1 25 25 THR H H 1 10.322 0.030 . 1 . . . . 25 THR H . 10057 1 211 . 1 1 25 25 THR HA H 1 5.186 0.030 . 1 . . . . 25 THR HA . 10057 1 212 . 1 1 25 25 THR HB H 1 3.984 0.030 . 1 . . . . 25 THR HB . 10057 1 213 . 1 1 25 25 THR HG21 H 1 1.139 0.030 . 1 . . . . 25 THR HG2 . 10057 1 214 . 1 1 25 25 THR HG22 H 1 1.139 0.030 . 1 . . . . 25 THR HG2 . 10057 1 215 . 1 1 25 25 THR HG23 H 1 1.139 0.030 . 1 . . . . 25 THR HG2 . 10057 1 216 . 1 1 25 25 THR C C 13 173.276 0.300 . 1 . . . . 25 THR C . 10057 1 217 . 1 1 25 25 THR CA C 13 62.344 0.300 . 1 . . . . 25 THR CA . 10057 1 218 . 1 1 25 25 THR CB C 13 70.402 0.300 . 1 . . . . 25 THR CB . 10057 1 219 . 1 1 25 25 THR CG2 C 13 21.525 0.300 . 1 . . . . 25 THR CG2 . 10057 1 220 . 1 1 25 25 THR N N 15 122.440 0.300 . 1 . . . . 25 THR N . 10057 1 221 . 1 1 26 26 GLY H H 1 9.702 0.030 . 1 . . . . 26 GLY H . 10057 1 222 . 1 1 26 26 GLY HA2 H 1 4.537 0.030 . 2 . . . . 26 GLY HA2 . 10057 1 223 . 1 1 26 26 GLY HA3 H 1 3.513 0.030 . 2 . . . . 26 GLY HA3 . 10057 1 224 . 1 1 26 26 GLY C C 13 170.288 0.300 . 1 . . . . 26 GLY C . 10057 1 225 . 1 1 26 26 GLY CA C 13 44.495 0.300 . 1 . . . . 26 GLY CA . 10057 1 226 . 1 1 26 26 GLY N N 15 114.699 0.300 . 1 . . . . 26 GLY N . 10057 1 227 . 1 1 27 27 LEU H H 1 8.542 0.030 . 1 . . . . 27 LEU H . 10057 1 228 . 1 1 27 27 LEU HA H 1 5.457 0.030 . 1 . . . . 27 LEU HA . 10057 1 229 . 1 1 27 27 LEU HB2 H 1 1.837 0.030 . 2 . . . . 27 LEU HB2 . 10057 1 230 . 1 1 27 27 LEU HB3 H 1 1.273 0.030 . 2 . . . . 27 LEU HB3 . 10057 1 231 . 1 1 27 27 LEU HG H 1 1.417 0.030 . 1 . . . . 27 LEU HG . 10057 1 232 . 1 1 27 27 LEU HD11 H 1 0.869 0.030 . 1 . . . . 27 LEU HD1 . 10057 1 233 . 1 1 27 27 LEU HD12 H 1 0.869 0.030 . 1 . . . . 27 LEU HD1 . 10057 1 234 . 1 1 27 27 LEU HD13 H 1 0.869 0.030 . 1 . . . . 27 LEU HD1 . 10057 1 235 . 1 1 27 27 LEU HD21 H 1 0.865 0.030 . 1 . . . . 27 LEU HD2 . 10057 1 236 . 1 1 27 27 LEU HD22 H 1 0.865 0.030 . 1 . . . . 27 LEU HD2 . 10057 1 237 . 1 1 27 27 LEU HD23 H 1 0.865 0.030 . 1 . . . . 27 LEU HD2 . 10057 1 238 . 1 1 27 27 LEU C C 13 175.640 0.300 . 1 . . . . 27 LEU C . 10057 1 239 . 1 1 27 27 LEU CA C 13 54.599 0.300 . 1 . . . . 27 LEU CA . 10057 1 240 . 1 1 27 27 LEU CB C 13 44.361 0.300 . 1 . . . . 27 LEU CB . 10057 1 241 . 1 1 27 27 LEU CG C 13 27.786 0.300 . 1 . . . . 27 LEU CG . 10057 1 242 . 1 1 27 27 LEU CD1 C 13 24.551 0.300 . 2 . . . . 27 LEU CD1 . 10057 1 243 . 1 1 27 27 LEU CD2 C 13 25.460 0.300 . 2 . . . . 27 LEU CD2 . 10057 1 244 . 1 1 27 27 LEU N N 15 127.723 0.300 . 1 . . . . 27 LEU N . 10057 1 245 . 1 1 28 28 VAL H H 1 8.924 0.030 . 1 . . . . 28 VAL H . 10057 1 246 . 1 1 28 28 VAL HA H 1 4.857 0.030 . 1 . . . . 28 VAL HA . 10057 1 247 . 1 1 28 28 VAL HB H 1 2.371 0.030 . 1 . . . . 28 VAL HB . 10057 1 248 . 1 1 28 28 VAL HG11 H 1 0.835 0.030 . 1 . . . . 28 VAL HG1 . 10057 1 249 . 1 1 28 28 VAL HG12 H 1 0.835 0.030 . 1 . . . . 28 VAL HG1 . 10057 1 250 . 1 1 28 28 VAL HG13 H 1 0.835 0.030 . 1 . . . . 28 VAL HG1 . 10057 1 251 . 1 1 28 28 VAL HG21 H 1 0.922 0.030 . 1 . . . . 28 VAL HG2 . 10057 1 252 . 1 1 28 28 VAL HG22 H 1 0.922 0.030 . 1 . . . . 28 VAL HG2 . 10057 1 253 . 1 1 28 28 VAL HG23 H 1 0.922 0.030 . 1 . . . . 28 VAL HG2 . 10057 1 254 . 1 1 28 28 VAL C C 13 174.176 0.300 . 1 . . . . 28 VAL C . 10057 1 255 . 1 1 28 28 VAL CA C 13 59.325 0.300 . 1 . . . . 28 VAL CA . 10057 1 256 . 1 1 28 28 VAL CB C 13 36.157 0.300 . 1 . . . . 28 VAL CB . 10057 1 257 . 1 1 28 28 VAL CG1 C 13 22.338 0.300 . 2 . . . . 28 VAL CG1 . 10057 1 258 . 1 1 28 28 VAL CG2 C 13 19.769 0.300 . 2 . . . . 28 VAL CG2 . 10057 1 259 . 1 1 28 28 VAL N N 15 119.588 0.300 . 1 . . . . 28 VAL N . 10057 1 260 . 1 1 29 29 GLY H H 1 8.484 0.030 . 1 . . . . 29 GLY H . 10057 1 261 . 1 1 29 29 GLY HA2 H 1 3.809 0.030 . 2 . . . . 29 GLY HA2 . 10057 1 262 . 1 1 29 29 GLY HA3 H 1 5.028 0.030 . 2 . . . . 29 GLY HA3 . 10057 1 263 . 1 1 29 29 GLY C C 13 172.451 0.300 . 1 . . . . 29 GLY C . 10057 1 264 . 1 1 29 29 GLY CA C 13 44.935 0.300 . 1 . . . . 29 GLY CA . 10057 1 265 . 1 1 29 29 GLY N N 15 107.396 0.300 . 1 . . . . 29 GLY N . 10057 1 266 . 1 1 30 30 ALA H H 1 8.317 0.030 . 1 . . . . 30 ALA H . 10057 1 267 . 1 1 30 30 ALA HA H 1 5.248 0.030 . 1 . . . . 30 ALA HA . 10057 1 268 . 1 1 30 30 ALA HB1 H 1 1.583 0.030 . 1 . . . . 30 ALA HB . 10057 1 269 . 1 1 30 30 ALA HB2 H 1 1.583 0.030 . 1 . . . . 30 ALA HB . 10057 1 270 . 1 1 30 30 ALA HB3 H 1 1.583 0.030 . 1 . . . . 30 ALA HB . 10057 1 271 . 1 1 30 30 ALA C C 13 175.366 0.300 . 1 . . . . 30 ALA C . 10057 1 272 . 1 1 30 30 ALA CA C 13 48.594 0.300 . 1 . . . . 30 ALA CA . 10057 1 273 . 1 1 30 30 ALA CB C 13 20.009 0.300 . 1 . . . . 30 ALA CB . 10057 1 274 . 1 1 30 30 ALA N N 15 121.782 0.300 . 1 . . . . 30 ALA N . 10057 1 275 . 1 1 31 31 PRO HA H 1 4.329 0.030 . 1 . . . . 31 PRO HA . 10057 1 276 . 1 1 31 31 PRO HB2 H 1 2.330 0.030 . 2 . . . . 31 PRO HB2 . 10057 1 277 . 1 1 31 31 PRO HB3 H 1 1.987 0.030 . 2 . . . . 31 PRO HB3 . 10057 1 278 . 1 1 31 31 PRO HG2 H 1 2.016 0.030 . 2 . . . . 31 PRO HG2 . 10057 1 279 . 1 1 31 31 PRO HG3 H 1 2.049 0.030 . 2 . . . . 31 PRO HG3 . 10057 1 280 . 1 1 31 31 PRO HD2 H 1 3.944 0.030 . 2 . . . . 31 PRO HD2 . 10057 1 281 . 1 1 31 31 PRO HD3 H 1 3.644 0.030 . 2 . . . . 31 PRO HD3 . 10057 1 282 . 1 1 31 31 PRO CA C 13 64.893 0.300 . 1 . . . . 31 PRO CA . 10057 1 283 . 1 1 31 31 PRO CB C 13 32.259 0.300 . 1 . . . . 31 PRO CB . 10057 1 284 . 1 1 31 31 PRO CG C 13 27.025 0.300 . 1 . . . . 31 PRO CG . 10057 1 285 . 1 1 31 31 PRO CD C 13 51.365 0.300 . 1 . . . . 31 PRO CD . 10057 1 286 . 1 1 32 32 ALA H H 1 8.393 0.030 . 1 . . . . 32 ALA H . 10057 1 287 . 1 1 32 32 ALA HA H 1 4.112 0.030 . 1 . . . . 32 ALA HA . 10057 1 288 . 1 1 32 32 ALA HB1 H 1 1.330 0.030 . 1 . . . . 32 ALA HB . 10057 1 289 . 1 1 32 32 ALA HB2 H 1 1.330 0.030 . 1 . . . . 32 ALA HB . 10057 1 290 . 1 1 32 32 ALA HB3 H 1 1.330 0.030 . 1 . . . . 32 ALA HB . 10057 1 291 . 1 1 32 32 ALA CA C 13 54.888 0.300 . 1 . . . . 32 ALA CA . 10057 1 292 . 1 1 32 32 ALA CB C 13 17.761 0.300 . 1 . . . . 32 ALA CB . 10057 1 293 . 1 1 32 32 ALA N N 15 120.667 0.300 . 1 . . . . 32 ALA N . 10057 1 294 . 1 1 33 33 CYS H H 1 7.248 0.030 . 1 . . . . 33 CYS H . 10057 1 295 . 1 1 33 33 CYS HA H 1 4.139 0.030 . 1 . . . . 33 CYS HA . 10057 1 296 . 1 1 33 33 CYS HB2 H 1 2.108 0.030 . 2 . . . . 33 CYS HB2 . 10057 1 297 . 1 1 33 33 CYS HB3 H 1 2.298 0.030 . 2 . . . . 33 CYS HB3 . 10057 1 298 . 1 1 33 33 CYS C C 13 175.833 0.300 . 1 . . . . 33 CYS C . 10057 1 299 . 1 1 33 33 CYS CA C 13 60.244 0.300 . 1 . . . . 33 CYS CA . 10057 1 300 . 1 1 33 33 CYS CB C 13 30.448 0.300 . 1 . . . . 33 CYS CB . 10057 1 301 . 1 1 33 33 CYS N N 15 117.113 0.300 . 1 . . . . 33 CYS N . 10057 1 302 . 1 1 34 34 GLY H H 1 8.349 0.030 . 1 . . . . 34 GLY H . 10057 1 303 . 1 1 34 34 GLY HA2 H 1 4.433 0.030 . 2 . . . . 34 GLY HA2 . 10057 1 304 . 1 1 34 34 GLY HA3 H 1 3.589 0.030 . 2 . . . . 34 GLY HA3 . 10057 1 305 . 1 1 34 34 GLY C C 13 174.361 0.300 . 1 . . . . 34 GLY C . 10057 1 306 . 1 1 34 34 GLY CA C 13 44.493 0.300 . 1 . . . . 34 GLY CA . 10057 1 307 . 1 1 34 34 GLY N N 15 104.418 0.300 . 1 . . . . 34 GLY N . 10057 1 308 . 1 1 35 35 ASP H H 1 6.774 0.030 . 1 . . . . 35 ASP H . 10057 1 309 . 1 1 35 35 ASP HA H 1 5.456 0.030 . 1 . . . . 35 ASP HA . 10057 1 310 . 1 1 35 35 ASP HB2 H 1 2.679 0.030 . 2 . . . . 35 ASP HB2 . 10057 1 311 . 1 1 35 35 ASP HB3 H 1 2.453 0.030 . 2 . . . . 35 ASP HB3 . 10057 1 312 . 1 1 35 35 ASP C C 13 176.749 0.300 . 1 . . . . 35 ASP C . 10057 1 313 . 1 1 35 35 ASP CA C 13 54.693 0.300 . 1 . . . . 35 ASP CA . 10057 1 314 . 1 1 35 35 ASP CB C 13 42.743 0.300 . 1 . . . . 35 ASP CB . 10057 1 315 . 1 1 35 35 ASP N N 15 118.004 0.300 . 1 . . . . 35 ASP N . 10057 1 316 . 1 1 36 36 VAL H H 1 9.298 0.030 . 1 . . . . 36 VAL H . 10057 1 317 . 1 1 36 36 VAL HA H 1 4.708 0.030 . 1 . . . . 36 VAL HA . 10057 1 318 . 1 1 36 36 VAL HB H 1 1.999 0.030 . 1 . . . . 36 VAL HB . 10057 1 319 . 1 1 36 36 VAL HG11 H 1 0.992 0.030 . 1 . . . . 36 VAL HG1 . 10057 1 320 . 1 1 36 36 VAL HG12 H 1 0.992 0.030 . 1 . . . . 36 VAL HG1 . 10057 1 321 . 1 1 36 36 VAL HG13 H 1 0.992 0.030 . 1 . . . . 36 VAL HG1 . 10057 1 322 . 1 1 36 36 VAL HG21 H 1 0.999 0.030 . 1 . . . . 36 VAL HG2 . 10057 1 323 . 1 1 36 36 VAL HG22 H 1 0.999 0.030 . 1 . . . . 36 VAL HG2 . 10057 1 324 . 1 1 36 36 VAL HG23 H 1 0.999 0.030 . 1 . . . . 36 VAL HG2 . 10057 1 325 . 1 1 36 36 VAL C C 13 173.925 0.300 . 1 . . . . 36 VAL C . 10057 1 326 . 1 1 36 36 VAL CA C 13 62.606 0.300 . 1 . . . . 36 VAL CA . 10057 1 327 . 1 1 36 36 VAL CB C 13 35.961 0.300 . 1 . . . . 36 VAL CB . 10057 1 328 . 1 1 36 36 VAL CG1 C 13 21.513 0.300 . 2 . . . . 36 VAL CG1 . 10057 1 329 . 1 1 36 36 VAL CG2 C 13 21.415 0.300 . 2 . . . . 36 VAL CG2 . 10057 1 330 . 1 1 36 36 VAL N N 15 123.307 0.300 . 1 . . . . 36 VAL N . 10057 1 331 . 1 1 37 37 MET H H 1 9.183 0.030 . 1 . . . . 37 MET H . 10057 1 332 . 1 1 37 37 MET HA H 1 5.117 0.030 . 1 . . . . 37 MET HA . 10057 1 333 . 1 1 37 37 MET HB2 H 1 1.764 0.030 . 2 . . . . 37 MET HB2 . 10057 1 334 . 1 1 37 37 MET HB3 H 1 1.649 0.030 . 2 . . . . 37 MET HB3 . 10057 1 335 . 1 1 37 37 MET HG2 H 1 2.582 0.030 . 1 . . . . 37 MET HG2 . 10057 1 336 . 1 1 37 37 MET HG3 H 1 2.582 0.030 . 1 . . . . 37 MET HG3 . 10057 1 337 . 1 1 37 37 MET HE1 H 1 1.863 0.030 . 1 . . . . 37 MET HE . 10057 1 338 . 1 1 37 37 MET HE2 H 1 1.863 0.030 . 1 . . . . 37 MET HE . 10057 1 339 . 1 1 37 37 MET HE3 H 1 1.863 0.030 . 1 . . . . 37 MET HE . 10057 1 340 . 1 1 37 37 MET C C 13 171.984 0.300 . 1 . . . . 37 MET C . 10057 1 341 . 1 1 37 37 MET CA C 13 55.190 0.300 . 1 . . . . 37 MET CA . 10057 1 342 . 1 1 37 37 MET CB C 13 36.558 0.300 . 1 . . . . 37 MET CB . 10057 1 343 . 1 1 37 37 MET CG C 13 32.053 0.300 . 1 . . . . 37 MET CG . 10057 1 344 . 1 1 37 37 MET CE C 13 18.348 0.300 . 1 . . . . 37 MET CE . 10057 1 345 . 1 1 37 37 MET N N 15 127.387 0.300 . 1 . . . . 37 MET N . 10057 1 346 . 1 1 38 38 LYS H H 1 8.681 0.030 . 1 . . . . 38 LYS H . 10057 1 347 . 1 1 38 38 LYS HA H 1 5.504 0.030 . 1 . . . . 38 LYS HA . 10057 1 348 . 1 1 38 38 LYS HB2 H 1 2.107 0.030 . 2 . . . . 38 LYS HB2 . 10057 1 349 . 1 1 38 38 LYS HB3 H 1 1.708 0.030 . 2 . . . . 38 LYS HB3 . 10057 1 350 . 1 1 38 38 LYS HG2 H 1 1.361 0.030 . 2 . . . . 38 LYS HG2 . 10057 1 351 . 1 1 38 38 LYS HG3 H 1 1.208 0.030 . 2 . . . . 38 LYS HG3 . 10057 1 352 . 1 1 38 38 LYS HD2 H 1 1.665 0.030 . 1 . . . . 38 LYS HD2 . 10057 1 353 . 1 1 38 38 LYS HD3 H 1 1.665 0.030 . 1 . . . . 38 LYS HD3 . 10057 1 354 . 1 1 38 38 LYS HE2 H 1 2.874 0.030 . 2 . . . . 38 LYS HE2 . 10057 1 355 . 1 1 38 38 LYS HE3 H 1 2.768 0.030 . 2 . . . . 38 LYS HE3 . 10057 1 356 . 1 1 38 38 LYS CA C 13 54.189 0.300 . 1 . . . . 38 LYS CA . 10057 1 357 . 1 1 38 38 LYS CB C 13 35.188 0.300 . 1 . . . . 38 LYS CB . 10057 1 358 . 1 1 38 38 LYS CG C 13 25.329 0.300 . 1 . . . . 38 LYS CG . 10057 1 359 . 1 1 38 38 LYS CD C 13 30.054 0.300 . 1 . . . . 38 LYS CD . 10057 1 360 . 1 1 38 38 LYS CE C 13 41.999 0.300 . 1 . . . . 38 LYS CE . 10057 1 361 . 1 1 38 38 LYS N N 15 127.732 0.300 . 1 . . . . 38 LYS N . 10057 1 362 . 1 1 39 39 LEU H H 1 9.286 0.030 . 1 . . . . 39 LEU H . 10057 1 363 . 1 1 39 39 LEU HA H 1 5.207 0.030 . 1 . . . . 39 LEU HA . 10057 1 364 . 1 1 39 39 LEU HB2 H 1 1.656 0.030 . 2 . . . . 39 LEU HB2 . 10057 1 365 . 1 1 39 39 LEU HB3 H 1 1.213 0.030 . 2 . . . . 39 LEU HB3 . 10057 1 366 . 1 1 39 39 LEU HG H 1 1.400 0.030 . 1 . . . . 39 LEU HG . 10057 1 367 . 1 1 39 39 LEU HD11 H 1 0.814 0.030 . 1 . . . . 39 LEU HD1 . 10057 1 368 . 1 1 39 39 LEU HD12 H 1 0.814 0.030 . 1 . . . . 39 LEU HD1 . 10057 1 369 . 1 1 39 39 LEU HD13 H 1 0.814 0.030 . 1 . . . . 39 LEU HD1 . 10057 1 370 . 1 1 39 39 LEU HD21 H 1 0.725 0.030 . 1 . . . . 39 LEU HD2 . 10057 1 371 . 1 1 39 39 LEU HD22 H 1 0.725 0.030 . 1 . . . . 39 LEU HD2 . 10057 1 372 . 1 1 39 39 LEU HD23 H 1 0.725 0.030 . 1 . . . . 39 LEU HD2 . 10057 1 373 . 1 1 39 39 LEU CA C 13 53.508 0.300 . 1 . . . . 39 LEU CA . 10057 1 374 . 1 1 39 39 LEU CB C 13 46.744 0.300 . 1 . . . . 39 LEU CB . 10057 1 375 . 1 1 39 39 LEU CG C 13 28.276 0.300 . 1 . . . . 39 LEU CG . 10057 1 376 . 1 1 39 39 LEU CD1 C 13 24.675 0.300 . 2 . . . . 39 LEU CD1 . 10057 1 377 . 1 1 39 39 LEU CD2 C 13 26.632 0.300 . 2 . . . . 39 LEU CD2 . 10057 1 378 . 1 1 39 39 LEU N N 15 128.374 0.300 . 1 . . . . 39 LEU N . 10057 1 379 . 1 1 40 40 GLN H H 1 9.221 0.030 . 1 . . . . 40 GLN H . 10057 1 380 . 1 1 40 40 GLN HA H 1 5.888 0.030 . 1 . . . . 40 GLN HA . 10057 1 381 . 1 1 40 40 GLN HB2 H 1 1.856 0.030 . 2 . . . . 40 GLN HB2 . 10057 1 382 . 1 1 40 40 GLN HB3 H 1 1.825 0.030 . 2 . . . . 40 GLN HB3 . 10057 1 383 . 1 1 40 40 GLN HG2 H 1 2.151 0.030 . 2 . . . . 40 GLN HG2 . 10057 1 384 . 1 1 40 40 GLN HG3 H 1 2.541 0.030 . 2 . . . . 40 GLN HG3 . 10057 1 385 . 1 1 40 40 GLN HE21 H 1 7.607 0.030 . 2 . . . . 40 GLN HE21 . 10057 1 386 . 1 1 40 40 GLN HE22 H 1 6.789 0.030 . 2 . . . . 40 GLN HE22 . 10057 1 387 . 1 1 40 40 GLN CA C 13 53.791 0.300 . 1 . . . . 40 GLN CA . 10057 1 388 . 1 1 40 40 GLN CB C 13 34.644 0.300 . 1 . . . . 40 GLN CB . 10057 1 389 . 1 1 40 40 GLN CG C 13 35.731 0.300 . 1 . . . . 40 GLN CG . 10057 1 390 . 1 1 40 40 GLN N N 15 123.271 0.300 . 1 . . . . 40 GLN N . 10057 1 391 . 1 1 40 40 GLN NE2 N 15 112.653 0.300 . 1 . . . . 40 GLN NE2 . 10057 1 392 . 1 1 41 41 ILE H H 1 9.177 0.030 . 1 . . . . 41 ILE H . 10057 1 393 . 1 1 41 41 ILE HA H 1 4.934 0.030 . 1 . . . . 41 ILE HA . 10057 1 394 . 1 1 41 41 ILE HB H 1 1.721 0.030 . 1 . . . . 41 ILE HB . 10057 1 395 . 1 1 41 41 ILE HG12 H 1 1.056 0.030 . 2 . . . . 41 ILE HG12 . 10057 1 396 . 1 1 41 41 ILE HG13 H 1 1.461 0.030 . 2 . . . . 41 ILE HG13 . 10057 1 397 . 1 1 41 41 ILE HG21 H 1 0.820 0.030 . 1 . . . . 41 ILE HG2 . 10057 1 398 . 1 1 41 41 ILE HG22 H 1 0.820 0.030 . 1 . . . . 41 ILE HG2 . 10057 1 399 . 1 1 41 41 ILE HG23 H 1 0.820 0.030 . 1 . . . . 41 ILE HG2 . 10057 1 400 . 1 1 41 41 ILE HD11 H 1 0.649 0.030 . 1 . . . . 41 ILE HD1 . 10057 1 401 . 1 1 41 41 ILE HD12 H 1 0.649 0.030 . 1 . . . . 41 ILE HD1 . 10057 1 402 . 1 1 41 41 ILE HD13 H 1 0.649 0.030 . 1 . . . . 41 ILE HD1 . 10057 1 403 . 1 1 41 41 ILE C C 13 172.962 0.300 . 1 . . . . 41 ILE C . 10057 1 404 . 1 1 41 41 ILE CA C 13 59.046 0.300 . 1 . . . . 41 ILE CA . 10057 1 405 . 1 1 41 41 ILE CB C 13 41.867 0.300 . 1 . . . . 41 ILE CB . 10057 1 406 . 1 1 41 41 ILE CG1 C 13 26.064 0.300 . 1 . . . . 41 ILE CG1 . 10057 1 407 . 1 1 41 41 ILE CG2 C 13 18.157 0.300 . 1 . . . . 41 ILE CG2 . 10057 1 408 . 1 1 41 41 ILE CD1 C 13 14.057 0.300 . 1 . . . . 41 ILE CD1 . 10057 1 409 . 1 1 41 41 ILE N N 15 116.662 0.300 . 1 . . . . 41 ILE N . 10057 1 410 . 1 1 42 42 GLN H H 1 8.385 0.030 . 1 . . . . 42 GLN H . 10057 1 411 . 1 1 42 42 GLN HA H 1 5.226 0.030 . 1 . . . . 42 GLN HA . 10057 1 412 . 1 1 42 42 GLN HB2 H 1 1.882 0.030 . 2 . . . . 42 GLN HB2 . 10057 1 413 . 1 1 42 42 GLN HB3 H 1 1.792 0.030 . 2 . . . . 42 GLN HB3 . 10057 1 414 . 1 1 42 42 GLN HG2 H 1 2.012 0.030 . 2 . . . . 42 GLN HG2 . 10057 1 415 . 1 1 42 42 GLN HG3 H 1 2.139 0.030 . 2 . . . . 42 GLN HG3 . 10057 1 416 . 1 1 42 42 GLN HE21 H 1 7.349 0.030 . 2 . . . . 42 GLN HE21 . 10057 1 417 . 1 1 42 42 GLN HE22 H 1 6.744 0.030 . 2 . . . . 42 GLN HE22 . 10057 1 418 . 1 1 42 42 GLN C C 13 174.113 0.300 . 1 . . . . 42 GLN C . 10057 1 419 . 1 1 42 42 GLN CA C 13 54.224 0.300 . 1 . . . . 42 GLN CA . 10057 1 420 . 1 1 42 42 GLN CB C 13 31.892 0.300 . 1 . . . . 42 GLN CB . 10057 1 421 . 1 1 42 42 GLN CG C 13 33.565 0.300 . 1 . . . . 42 GLN CG . 10057 1 422 . 1 1 42 42 GLN N N 15 123.631 0.300 . 1 . . . . 42 GLN N . 10057 1 423 . 1 1 42 42 GLN NE2 N 15 110.844 0.300 . 1 . . . . 42 GLN NE2 . 10057 1 424 . 1 1 43 43 VAL H H 1 8.773 0.030 . 1 . . . . 43 VAL H . 10057 1 425 . 1 1 43 43 VAL HA H 1 4.729 0.030 . 1 . . . . 43 VAL HA . 10057 1 426 . 1 1 43 43 VAL HB H 1 1.546 0.030 . 1 . . . . 43 VAL HB . 10057 1 427 . 1 1 43 43 VAL HG11 H 1 0.791 0.030 . 1 . . . . 43 VAL HG1 . 10057 1 428 . 1 1 43 43 VAL HG12 H 1 0.791 0.030 . 1 . . . . 43 VAL HG1 . 10057 1 429 . 1 1 43 43 VAL HG13 H 1 0.791 0.030 . 1 . . . . 43 VAL HG1 . 10057 1 430 . 1 1 43 43 VAL HG21 H 1 -0.079 0.030 . 1 . . . . 43 VAL HG2 . 10057 1 431 . 1 1 43 43 VAL HG22 H 1 -0.079 0.030 . 1 . . . . 43 VAL HG2 . 10057 1 432 . 1 1 43 43 VAL HG23 H 1 -0.079 0.030 . 1 . . . . 43 VAL HG2 . 10057 1 433 . 1 1 43 43 VAL C C 13 176.665 0.300 . 1 . . . . 43 VAL C . 10057 1 434 . 1 1 43 43 VAL CA C 13 60.705 0.300 . 1 . . . . 43 VAL CA . 10057 1 435 . 1 1 43 43 VAL CB C 13 34.123 0.300 . 1 . . . . 43 VAL CB . 10057 1 436 . 1 1 43 43 VAL CG1 C 13 21.238 0.300 . 2 . . . . 43 VAL CG1 . 10057 1 437 . 1 1 43 43 VAL CG2 C 13 20.683 0.300 . 2 . . . . 43 VAL CG2 . 10057 1 438 . 1 1 43 43 VAL N N 15 128.742 0.300 . 1 . . . . 43 VAL N . 10057 1 439 . 1 1 44 44 ASP H H 1 9.211 0.030 . 1 . . . . 44 ASP H . 10057 1 440 . 1 1 44 44 ASP HA H 1 4.794 0.030 . 1 . . . . 44 ASP HA . 10057 1 441 . 1 1 44 44 ASP HB2 H 1 3.318 0.030 . 2 . . . . 44 ASP HB2 . 10057 1 442 . 1 1 44 44 ASP HB3 H 1 2.709 0.030 . 2 . . . . 44 ASP HB3 . 10057 1 443 . 1 1 44 44 ASP C C 13 178.301 0.300 . 1 . . . . 44 ASP C . 10057 1 444 . 1 1 44 44 ASP CA C 13 52.839 0.300 . 1 . . . . 44 ASP CA . 10057 1 445 . 1 1 44 44 ASP CB C 13 41.343 0.300 . 1 . . . . 44 ASP CB . 10057 1 446 . 1 1 44 44 ASP N N 15 128.126 0.300 . 1 . . . . 44 ASP N . 10057 1 447 . 1 1 45 45 GLU H H 1 8.977 0.030 . 1 . . . . 45 GLU H . 10057 1 448 . 1 1 45 45 GLU HA H 1 4.267 0.030 . 1 . . . . 45 GLU HA . 10057 1 449 . 1 1 45 45 GLU HB2 H 1 2.200 0.030 . 2 . . . . 45 GLU HB2 . 10057 1 450 . 1 1 45 45 GLU HB3 H 1 2.122 0.030 . 2 . . . . 45 GLU HB3 . 10057 1 451 . 1 1 45 45 GLU HG2 H 1 2.422 0.030 . 2 . . . . 45 GLU HG2 . 10057 1 452 . 1 1 45 45 GLU HG3 H 1 2.358 0.030 . 2 . . . . 45 GLU HG3 . 10057 1 453 . 1 1 45 45 GLU C C 13 177.297 0.300 . 1 . . . . 45 GLU C . 10057 1 454 . 1 1 45 45 GLU CA C 13 58.537 0.300 . 1 . . . . 45 GLU CA . 10057 1 455 . 1 1 45 45 GLU CB C 13 28.853 0.300 . 1 . . . . 45 GLU CB . 10057 1 456 . 1 1 45 45 GLU CG C 13 36.364 0.300 . 1 . . . . 45 GLU CG . 10057 1 457 . 1 1 45 45 GLU N N 15 116.340 0.300 . 1 . . . . 45 GLU N . 10057 1 458 . 1 1 46 46 LYS H H 1 8.284 0.030 . 1 . . . . 46 LYS H . 10057 1 459 . 1 1 46 46 LYS HA H 1 4.519 0.030 . 1 . . . . 46 LYS HA . 10057 1 460 . 1 1 46 46 LYS HB2 H 1 2.040 0.030 . 2 . . . . 46 LYS HB2 . 10057 1 461 . 1 1 46 46 LYS HB3 H 1 1.964 0.030 . 2 . . . . 46 LYS HB3 . 10057 1 462 . 1 1 46 46 LYS HG2 H 1 1.454 0.030 . 2 . . . . 46 LYS HG2 . 10057 1 463 . 1 1 46 46 LYS HG3 H 1 1.392 0.030 . 2 . . . . 46 LYS HG3 . 10057 1 464 . 1 1 46 46 LYS HD2 H 1 1.691 0.030 . 1 . . . . 46 LYS HD2 . 10057 1 465 . 1 1 46 46 LYS HD3 H 1 1.691 0.030 . 1 . . . . 46 LYS HD3 . 10057 1 466 . 1 1 46 46 LYS HE2 H 1 3.015 0.030 . 1 . . . . 46 LYS HE2 . 10057 1 467 . 1 1 46 46 LYS HE3 H 1 3.015 0.030 . 1 . . . . 46 LYS HE3 . 10057 1 468 . 1 1 46 46 LYS C C 13 177.015 0.300 . 1 . . . . 46 LYS C . 10057 1 469 . 1 1 46 46 LYS CA C 13 55.141 0.300 . 1 . . . . 46 LYS CA . 10057 1 470 . 1 1 46 46 LYS CB C 13 32.341 0.300 . 1 . . . . 46 LYS CB . 10057 1 471 . 1 1 46 46 LYS CG C 13 25.169 0.300 . 1 . . . . 46 LYS CG . 10057 1 472 . 1 1 46 46 LYS CD C 13 28.802 0.300 . 1 . . . . 46 LYS CD . 10057 1 473 . 1 1 46 46 LYS CE C 13 42.255 0.300 . 1 . . . . 46 LYS CE . 10057 1 474 . 1 1 46 46 LYS N N 15 119.340 0.300 . 1 . . . . 46 LYS N . 10057 1 475 . 1 1 47 47 GLY H H 1 7.879 0.030 . 1 . . . . 47 GLY H . 10057 1 476 . 1 1 47 47 GLY HA2 H 1 4.290 0.030 . 2 . . . . 47 GLY HA2 . 10057 1 477 . 1 1 47 47 GLY HA3 H 1 3.508 0.030 . 2 . . . . 47 GLY HA3 . 10057 1 478 . 1 1 47 47 GLY C C 13 172.934 0.300 . 1 . . . . 47 GLY C . 10057 1 479 . 1 1 47 47 GLY CA C 13 45.801 0.300 . 1 . . . . 47 GLY CA . 10057 1 480 . 1 1 47 47 GLY N N 15 108.254 0.300 . 1 . . . . 47 GLY N . 10057 1 481 . 1 1 48 48 LYS H H 1 8.516 0.030 . 1 . . . . 48 LYS H . 10057 1 482 . 1 1 48 48 LYS HA H 1 4.351 0.030 . 1 . . . . 48 LYS HA . 10057 1 483 . 1 1 48 48 LYS HB2 H 1 1.662 0.030 . 1 . . . . 48 LYS HB2 . 10057 1 484 . 1 1 48 48 LYS HB3 H 1 1.662 0.030 . 1 . . . . 48 LYS HB3 . 10057 1 485 . 1 1 48 48 LYS HG2 H 1 1.130 0.030 . 2 . . . . 48 LYS HG2 . 10057 1 486 . 1 1 48 48 LYS HG3 H 1 1.046 0.030 . 2 . . . . 48 LYS HG3 . 10057 1 487 . 1 1 48 48 LYS HD2 H 1 1.549 0.030 . 1 . . . . 48 LYS HD2 . 10057 1 488 . 1 1 48 48 LYS HD3 H 1 1.549 0.030 . 1 . . . . 48 LYS HD3 . 10057 1 489 . 1 1 48 48 LYS HE2 H 1 2.917 0.030 . 1 . . . . 48 LYS HE2 . 10057 1 490 . 1 1 48 48 LYS HE3 H 1 2.917 0.030 . 1 . . . . 48 LYS HE3 . 10057 1 491 . 1 1 48 48 LYS C C 13 175.370 0.300 . 1 . . . . 48 LYS C . 10057 1 492 . 1 1 48 48 LYS CA C 13 55.146 0.300 . 1 . . . . 48 LYS CA . 10057 1 493 . 1 1 48 48 LYS CB C 13 33.519 0.300 . 1 . . . . 48 LYS CB . 10057 1 494 . 1 1 48 48 LYS CG C 13 25.129 0.300 . 1 . . . . 48 LYS CG . 10057 1 495 . 1 1 48 48 LYS CD C 13 29.075 0.300 . 1 . . . . 48 LYS CD . 10057 1 496 . 1 1 48 48 LYS CE C 13 42.044 0.300 . 1 . . . . 48 LYS CE . 10057 1 497 . 1 1 48 48 LYS N N 15 121.280 0.300 . 1 . . . . 48 LYS N . 10057 1 498 . 1 1 49 49 ILE H H 1 8.932 0.030 . 1 . . . . 49 ILE H . 10057 1 499 . 1 1 49 49 ILE HA H 1 4.279 0.030 . 1 . . . . 49 ILE HA . 10057 1 500 . 1 1 49 49 ILE HB H 1 2.364 0.030 . 1 . . . . 49 ILE HB . 10057 1 501 . 1 1 49 49 ILE HG12 H 1 1.672 0.030 . 2 . . . . 49 ILE HG12 . 10057 1 502 . 1 1 49 49 ILE HG13 H 1 0.661 0.030 . 2 . . . . 49 ILE HG13 . 10057 1 503 . 1 1 49 49 ILE HG21 H 1 0.825 0.030 . 1 . . . . 49 ILE HG2 . 10057 1 504 . 1 1 49 49 ILE HG22 H 1 0.825 0.030 . 1 . . . . 49 ILE HG2 . 10057 1 505 . 1 1 49 49 ILE HG23 H 1 0.825 0.030 . 1 . . . . 49 ILE HG2 . 10057 1 506 . 1 1 49 49 ILE HD11 H 1 0.753 0.030 . 1 . . . . 49 ILE HD1 . 10057 1 507 . 1 1 49 49 ILE HD12 H 1 0.753 0.030 . 1 . . . . 49 ILE HD1 . 10057 1 508 . 1 1 49 49 ILE HD13 H 1 0.753 0.030 . 1 . . . . 49 ILE HD1 . 10057 1 509 . 1 1 49 49 ILE C C 13 176.661 0.300 . 1 . . . . 49 ILE C . 10057 1 510 . 1 1 49 49 ILE CA C 13 62.606 0.300 . 1 . . . . 49 ILE CA . 10057 1 511 . 1 1 49 49 ILE CB C 13 36.301 0.300 . 1 . . . . 49 ILE CB . 10057 1 512 . 1 1 49 49 ILE CG1 C 13 29.398 0.300 . 1 . . . . 49 ILE CG1 . 10057 1 513 . 1 1 49 49 ILE CG2 C 13 18.739 0.300 . 1 . . . . 49 ILE CG2 . 10057 1 514 . 1 1 49 49 ILE CD1 C 13 14.990 0.300 . 1 . . . . 49 ILE CD1 . 10057 1 515 . 1 1 49 49 ILE N N 15 125.266 0.300 . 1 . . . . 49 ILE N . 10057 1 516 . 1 1 50 50 VAL H H 1 8.664 0.030 . 1 . . . . 50 VAL H . 10057 1 517 . 1 1 50 50 VAL HA H 1 4.447 0.030 . 1 . . . . 50 VAL HA . 10057 1 518 . 1 1 50 50 VAL HB H 1 2.266 0.030 . 1 . . . . 50 VAL HB . 10057 1 519 . 1 1 50 50 VAL HG11 H 1 0.966 0.030 . 1 . . . . 50 VAL HG1 . 10057 1 520 . 1 1 50 50 VAL HG12 H 1 0.966 0.030 . 1 . . . . 50 VAL HG1 . 10057 1 521 . 1 1 50 50 VAL HG13 H 1 0.966 0.030 . 1 . . . . 50 VAL HG1 . 10057 1 522 . 1 1 50 50 VAL HG21 H 1 0.809 0.030 . 1 . . . . 50 VAL HG2 . 10057 1 523 . 1 1 50 50 VAL HG22 H 1 0.809 0.030 . 1 . . . . 50 VAL HG2 . 10057 1 524 . 1 1 50 50 VAL HG23 H 1 0.809 0.030 . 1 . . . . 50 VAL HG2 . 10057 1 525 . 1 1 50 50 VAL C C 13 175.889 0.300 . 1 . . . . 50 VAL C . 10057 1 526 . 1 1 50 50 VAL CA C 13 61.408 0.300 . 1 . . . . 50 VAL CA . 10057 1 527 . 1 1 50 50 VAL CB C 13 32.778 0.300 . 1 . . . . 50 VAL CB . 10057 1 528 . 1 1 50 50 VAL CG1 C 13 22.453 0.300 . 2 . . . . 50 VAL CG1 . 10057 1 529 . 1 1 50 50 VAL CG2 C 13 18.503 0.300 . 2 . . . . 50 VAL CG2 . 10057 1 530 . 1 1 50 50 VAL N N 15 123.815 0.300 . 1 . . . . 50 VAL N . 10057 1 531 . 1 1 51 51 ASP H H 1 7.909 0.030 . 1 . . . . 51 ASP H . 10057 1 532 . 1 1 51 51 ASP HA H 1 4.772 0.030 . 1 . . . . 51 ASP HA . 10057 1 533 . 1 1 51 51 ASP HB2 H 1 2.672 0.030 . 2 . . . . 51 ASP HB2 . 10057 1 534 . 1 1 51 51 ASP HB3 H 1 2.398 0.030 . 2 . . . . 51 ASP HB3 . 10057 1 535 . 1 1 51 51 ASP C C 13 173.126 0.300 . 1 . . . . 51 ASP C . 10057 1 536 . 1 1 51 51 ASP CA C 13 53.326 0.300 . 1 . . . . 51 ASP CA . 10057 1 537 . 1 1 51 51 ASP CB C 13 43.972 0.300 . 1 . . . . 51 ASP CB . 10057 1 538 . 1 1 51 51 ASP N N 15 118.475 0.300 . 1 . . . . 51 ASP N . 10057 1 539 . 1 1 52 52 ALA H H 1 8.627 0.030 . 1 . . . . 52 ALA H . 10057 1 540 . 1 1 52 52 ALA HA H 1 5.305 0.030 . 1 . . . . 52 ALA HA . 10057 1 541 . 1 1 52 52 ALA HB1 H 1 1.376 0.030 . 1 . . . . 52 ALA HB . 10057 1 542 . 1 1 52 52 ALA HB2 H 1 1.376 0.030 . 1 . . . . 52 ALA HB . 10057 1 543 . 1 1 52 52 ALA HB3 H 1 1.376 0.030 . 1 . . . . 52 ALA HB . 10057 1 544 . 1 1 52 52 ALA C C 13 174.852 0.300 . 1 . . . . 52 ALA C . 10057 1 545 . 1 1 52 52 ALA CA C 13 51.933 0.300 . 1 . . . . 52 ALA CA . 10057 1 546 . 1 1 52 52 ALA CB C 13 22.730 0.300 . 1 . . . . 52 ALA CB . 10057 1 547 . 1 1 52 52 ALA N N 15 123.758 0.300 . 1 . . . . 52 ALA N . 10057 1 548 . 1 1 53 53 ARG H H 1 8.972 0.030 . 1 . . . . 53 ARG H . 10057 1 549 . 1 1 53 53 ARG HA H 1 5.034 0.030 . 1 . . . . 53 ARG HA . 10057 1 550 . 1 1 53 53 ARG HB2 H 1 1.811 0.030 . 2 . . . . 53 ARG HB2 . 10057 1 551 . 1 1 53 53 ARG HB3 H 1 1.494 0.030 . 2 . . . . 53 ARG HB3 . 10057 1 552 . 1 1 53 53 ARG HG2 H 1 1.455 0.030 . 2 . . . . 53 ARG HG2 . 10057 1 553 . 1 1 53 53 ARG HG3 H 1 1.388 0.030 . 2 . . . . 53 ARG HG3 . 10057 1 554 . 1 1 53 53 ARG HD2 H 1 2.944 0.030 . 2 . . . . 53 ARG HD2 . 10057 1 555 . 1 1 53 53 ARG HD3 H 1 3.254 0.030 . 2 . . . . 53 ARG HD3 . 10057 1 556 . 1 1 53 53 ARG C C 13 174.160 0.300 . 1 . . . . 53 ARG C . 10057 1 557 . 1 1 53 53 ARG CA C 13 53.831 0.300 . 1 . . . . 53 ARG CA . 10057 1 558 . 1 1 53 53 ARG CB C 13 35.042 0.300 . 1 . . . . 53 ARG CB . 10057 1 559 . 1 1 53 53 ARG CG C 13 27.421 0.300 . 1 . . . . 53 ARG CG . 10057 1 560 . 1 1 53 53 ARG CD C 13 43.207 0.300 . 1 . . . . 53 ARG CD . 10057 1 561 . 1 1 53 53 ARG N N 15 119.166 0.300 . 1 . . . . 53 ARG N . 10057 1 562 . 1 1 54 54 PHE H H 1 8.733 0.030 . 1 . . . . 54 PHE H . 10057 1 563 . 1 1 54 54 PHE HA H 1 5.980 0.030 . 1 . . . . 54 PHE HA . 10057 1 564 . 1 1 54 54 PHE HB2 H 1 3.039 0.030 . 1 . . . . 54 PHE HB2 . 10057 1 565 . 1 1 54 54 PHE HB3 H 1 3.039 0.030 . 1 . . . . 54 PHE HB3 . 10057 1 566 . 1 1 54 54 PHE HD1 H 1 7.317 0.030 . 1 . . . . 54 PHE HD1 . 10057 1 567 . 1 1 54 54 PHE HD2 H 1 7.317 0.030 . 1 . . . . 54 PHE HD2 . 10057 1 568 . 1 1 54 54 PHE HE1 H 1 7.348 0.030 . 1 . . . . 54 PHE HE1 . 10057 1 569 . 1 1 54 54 PHE HE2 H 1 7.348 0.030 . 1 . . . . 54 PHE HE2 . 10057 1 570 . 1 1 54 54 PHE HZ H 1 7.287 0.030 . 1 . . . . 54 PHE HZ . 10057 1 571 . 1 1 54 54 PHE CA C 13 55.501 0.300 . 1 . . . . 54 PHE CA . 10057 1 572 . 1 1 54 54 PHE CB C 13 43.087 0.300 . 1 . . . . 54 PHE CB . 10057 1 573 . 1 1 54 54 PHE CD1 C 13 132.943 0.300 . 1 . . . . 54 PHE CD1 . 10057 1 574 . 1 1 54 54 PHE CD2 C 13 132.943 0.300 . 1 . . . . 54 PHE CD2 . 10057 1 575 . 1 1 54 54 PHE CE1 C 13 130.916 0.300 . 1 . . . . 54 PHE CE1 . 10057 1 576 . 1 1 54 54 PHE CE2 C 13 130.916 0.300 . 1 . . . . 54 PHE CE2 . 10057 1 577 . 1 1 54 54 PHE CZ C 13 129.666 0.300 . 1 . . . . 54 PHE CZ . 10057 1 578 . 1 1 54 54 PHE N N 15 118.992 0.300 . 1 . . . . 54 PHE N . 10057 1 579 . 1 1 55 55 LYS H H 1 8.909 0.030 . 1 . . . . 55 LYS H . 10057 1 580 . 1 1 55 55 LYS HA H 1 4.288 0.030 . 1 . . . . 55 LYS HA . 10057 1 581 . 1 1 55 55 LYS HB2 H 1 1.727 0.030 . 2 . . . . 55 LYS HB2 . 10057 1 582 . 1 1 55 55 LYS HB3 H 1 1.683 0.030 . 2 . . . . 55 LYS HB3 . 10057 1 583 . 1 1 55 55 LYS HG2 H 1 1.310 0.030 . 2 . . . . 55 LYS HG2 . 10057 1 584 . 1 1 55 55 LYS HG3 H 1 1.236 0.030 . 2 . . . . 55 LYS HG3 . 10057 1 585 . 1 1 55 55 LYS HD2 H 1 1.652 0.030 . 1 . . . . 55 LYS HD2 . 10057 1 586 . 1 1 55 55 LYS HD3 H 1 1.652 0.030 . 1 . . . . 55 LYS HD3 . 10057 1 587 . 1 1 55 55 LYS HE2 H 1 2.862 0.030 . 2 . . . . 55 LYS HE2 . 10057 1 588 . 1 1 55 55 LYS HE3 H 1 2.932 0.030 . 2 . . . . 55 LYS HE3 . 10057 1 589 . 1 1 55 55 LYS CA C 13 56.792 0.300 . 1 . . . . 55 LYS CA . 10057 1 590 . 1 1 55 55 LYS CB C 13 35.250 0.300 . 1 . . . . 55 LYS CB . 10057 1 591 . 1 1 55 55 LYS CG C 13 24.673 0.300 . 1 . . . . 55 LYS CG . 10057 1 592 . 1 1 55 55 LYS CD C 13 28.974 0.300 . 1 . . . . 55 LYS CD . 10057 1 593 . 1 1 55 55 LYS CE C 13 42.180 0.300 . 1 . . . . 55 LYS CE . 10057 1 594 . 1 1 55 55 LYS N N 15 121.412 0.300 . 1 . . . . 55 LYS N . 10057 1 595 . 1 1 56 56 THR H H 1 8.798 0.030 . 1 . . . . 56 THR H . 10057 1 596 . 1 1 56 56 THR HA H 1 5.462 0.030 . 1 . . . . 56 THR HA . 10057 1 597 . 1 1 56 56 THR HB H 1 3.893 0.030 . 1 . . . . 56 THR HB . 10057 1 598 . 1 1 56 56 THR HG21 H 1 0.899 0.030 . 1 . . . . 56 THR HG2 . 10057 1 599 . 1 1 56 56 THR HG22 H 1 0.899 0.030 . 1 . . . . 56 THR HG2 . 10057 1 600 . 1 1 56 56 THR HG23 H 1 0.899 0.030 . 1 . . . . 56 THR HG2 . 10057 1 601 . 1 1 56 56 THR C C 13 172.094 0.300 . 1 . . . . 56 THR C . 10057 1 602 . 1 1 56 56 THR CA C 13 60.854 0.300 . 1 . . . . 56 THR CA . 10057 1 603 . 1 1 56 56 THR CB C 13 72.182 0.300 . 1 . . . . 56 THR CB . 10057 1 604 . 1 1 56 56 THR CG2 C 13 22.909 0.300 . 1 . . . . 56 THR CG2 . 10057 1 605 . 1 1 56 56 THR N N 15 125.460 0.300 . 1 . . . . 56 THR N . 10057 1 606 . 1 1 57 57 PHE H H 1 8.945 0.030 . 1 . . . . 57 PHE H . 10057 1 607 . 1 1 57 57 PHE HA H 1 4.906 0.030 . 1 . . . . 57 PHE HA . 10057 1 608 . 1 1 57 57 PHE HB2 H 1 3.152 0.030 . 2 . . . . 57 PHE HB2 . 10057 1 609 . 1 1 57 57 PHE HB3 H 1 3.009 0.030 . 2 . . . . 57 PHE HB3 . 10057 1 610 . 1 1 57 57 PHE HD1 H 1 7.272 0.030 . 1 . . . . 57 PHE HD1 . 10057 1 611 . 1 1 57 57 PHE HD2 H 1 7.272 0.030 . 1 . . . . 57 PHE HD2 . 10057 1 612 . 1 1 57 57 PHE HE1 H 1 7.340 0.030 . 1 . . . . 57 PHE HE1 . 10057 1 613 . 1 1 57 57 PHE HE2 H 1 7.340 0.030 . 1 . . . . 57 PHE HE2 . 10057 1 614 . 1 1 57 57 PHE HZ H 1 7.288 0.030 . 1 . . . . 57 PHE HZ . 10057 1 615 . 1 1 57 57 PHE C C 13 174.096 0.300 . 1 . . . . 57 PHE C . 10057 1 616 . 1 1 57 57 PHE CA C 13 55.908 0.300 . 1 . . . . 57 PHE CA . 10057 1 617 . 1 1 57 57 PHE CB C 13 41.343 0.300 . 1 . . . . 57 PHE CB . 10057 1 618 . 1 1 57 57 PHE CD1 C 13 132.208 0.300 . 1 . . . . 57 PHE CD1 . 10057 1 619 . 1 1 57 57 PHE CD2 C 13 132.208 0.300 . 1 . . . . 57 PHE CD2 . 10057 1 620 . 1 1 57 57 PHE CE1 C 13 131.204 0.300 . 1 . . . . 57 PHE CE1 . 10057 1 621 . 1 1 57 57 PHE CE2 C 13 131.204 0.300 . 1 . . . . 57 PHE CE2 . 10057 1 622 . 1 1 57 57 PHE CZ C 13 129.662 0.300 . 1 . . . . 57 PHE CZ . 10057 1 623 . 1 1 57 57 PHE N N 15 126.809 0.300 . 1 . . . . 57 PHE N . 10057 1 624 . 1 1 58 58 GLY H H 1 8.188 0.030 . 1 . . . . 58 GLY H . 10057 1 625 . 1 1 58 58 GLY HA2 H 1 3.675 0.030 . 2 . . . . 58 GLY HA2 . 10057 1 626 . 1 1 58 58 GLY HA3 H 1 5.217 0.030 . 2 . . . . 58 GLY HA3 . 10057 1 627 . 1 1 58 58 GLY C C 13 172.571 0.300 . 1 . . . . 58 GLY C . 10057 1 628 . 1 1 58 58 GLY CA C 13 45.074 0.300 . 1 . . . . 58 GLY CA . 10057 1 629 . 1 1 58 58 GLY N N 15 111.124 0.300 . 1 . . . . 58 GLY N . 10057 1 630 . 1 1 59 59 CYS H H 1 9.236 0.030 . 1 . . . . 59 CYS H . 10057 1 631 . 1 1 59 59 CYS HA H 1 4.577 0.030 . 1 . . . . 59 CYS HA . 10057 1 632 . 1 1 59 59 CYS HB2 H 1 3.396 0.030 . 2 . . . . 59 CYS HB2 . 10057 1 633 . 1 1 59 59 CYS HB3 H 1 2.981 0.030 . 2 . . . . 59 CYS HB3 . 10057 1 634 . 1 1 59 59 CYS C C 13 176.138 0.300 . 1 . . . . 59 CYS C . 10057 1 635 . 1 1 59 59 CYS CA C 13 57.750 0.300 . 1 . . . . 59 CYS CA . 10057 1 636 . 1 1 59 59 CYS CB C 13 31.235 0.300 . 1 . . . . 59 CYS CB . 10057 1 637 . 1 1 59 59 CYS N N 15 122.004 0.300 . 1 . . . . 59 CYS N . 10057 1 638 . 1 1 60 60 GLY H H 1 8.833 0.030 . 1 . . . . 60 GLY H . 10057 1 639 . 1 1 60 60 GLY HA2 H 1 3.797 0.030 . 2 . . . . 60 GLY HA2 . 10057 1 640 . 1 1 60 60 GLY HA3 H 1 4.085 0.030 . 2 . . . . 60 GLY HA3 . 10057 1 641 . 1 1 60 60 GLY CA C 13 47.976 0.300 . 1 . . . . 60 GLY CA . 10057 1 642 . 1 1 60 60 GLY N N 15 108.163 0.300 . 1 . . . . 60 GLY N . 10057 1 643 . 1 1 61 61 SER H H 1 8.233 0.030 . 1 . . . . 61 SER H . 10057 1 644 . 1 1 61 61 SER HA H 1 4.436 0.030 . 1 . . . . 61 SER HA . 10057 1 645 . 1 1 61 61 SER HB2 H 1 4.114 0.030 . 2 . . . . 61 SER HB2 . 10057 1 646 . 1 1 61 61 SER HB3 H 1 3.769 0.030 . 2 . . . . 61 SER HB3 . 10057 1 647 . 1 1 61 61 SER C C 13 176.050 0.300 . 1 . . . . 61 SER C . 10057 1 648 . 1 1 61 61 SER CA C 13 62.348 0.300 . 1 . . . . 61 SER CA . 10057 1 649 . 1 1 61 61 SER CB C 13 63.788 0.300 . 1 . . . . 61 SER CB . 10057 1 650 . 1 1 62 62 ALA H H 1 8.543 0.030 . 1 . . . . 62 ALA H . 10057 1 651 . 1 1 62 62 ALA HA H 1 3.865 0.030 . 1 . . . . 62 ALA HA . 10057 1 652 . 1 1 62 62 ALA HB1 H 1 1.528 0.030 . 1 . . . . 62 ALA HB . 10057 1 653 . 1 1 62 62 ALA HB2 H 1 1.528 0.030 . 1 . . . . 62 ALA HB . 10057 1 654 . 1 1 62 62 ALA HB3 H 1 1.528 0.030 . 1 . . . . 62 ALA HB . 10057 1 655 . 1 1 62 62 ALA C C 13 179.713 0.300 . 1 . . . . 62 ALA C . 10057 1 656 . 1 1 62 62 ALA CA C 13 56.014 0.300 . 1 . . . . 62 ALA CA . 10057 1 657 . 1 1 62 62 ALA CB C 13 16.719 0.300 . 1 . . . . 62 ALA CB . 10057 1 658 . 1 1 62 62 ALA N N 15 132.215 0.300 . 1 . . . . 62 ALA N . 10057 1 659 . 1 1 63 63 ILE H H 1 7.803 0.030 . 1 . . . . 63 ILE H . 10057 1 660 . 1 1 63 63 ILE HA H 1 3.353 0.030 . 1 . . . . 63 ILE HA . 10057 1 661 . 1 1 63 63 ILE HB H 1 2.016 0.030 . 1 . . . . 63 ILE HB . 10057 1 662 . 1 1 63 63 ILE HG12 H 1 1.579 0.030 . 2 . . . . 63 ILE HG12 . 10057 1 663 . 1 1 63 63 ILE HG13 H 1 1.047 0.030 . 2 . . . . 63 ILE HG13 . 10057 1 664 . 1 1 63 63 ILE HG21 H 1 1.046 0.030 . 1 . . . . 63 ILE HG2 . 10057 1 665 . 1 1 63 63 ILE HG22 H 1 1.046 0.030 . 1 . . . . 63 ILE HG2 . 10057 1 666 . 1 1 63 63 ILE HG23 H 1 1.046 0.030 . 1 . . . . 63 ILE HG2 . 10057 1 667 . 1 1 63 63 ILE HD11 H 1 0.867 0.030 . 1 . . . . 63 ILE HD1 . 10057 1 668 . 1 1 63 63 ILE HD12 H 1 0.867 0.030 . 1 . . . . 63 ILE HD1 . 10057 1 669 . 1 1 63 63 ILE HD13 H 1 0.867 0.030 . 1 . . . . 63 ILE HD1 . 10057 1 670 . 1 1 63 63 ILE C C 13 178.098 0.300 . 1 . . . . 63 ILE C . 10057 1 671 . 1 1 63 63 ILE CA C 13 66.027 0.300 . 1 . . . . 63 ILE CA . 10057 1 672 . 1 1 63 63 ILE CB C 13 37.794 0.300 . 1 . . . . 63 ILE CB . 10057 1 673 . 1 1 63 63 ILE CG1 C 13 29.398 0.300 . 1 . . . . 63 ILE CG1 . 10057 1 674 . 1 1 63 63 ILE CG2 C 13 17.569 0.300 . 1 . . . . 63 ILE CG2 . 10057 1 675 . 1 1 63 63 ILE CD1 C 13 13.262 0.300 . 1 . . . . 63 ILE CD1 . 10057 1 676 . 1 1 63 63 ILE N N 15 121.958 0.300 . 1 . . . . 63 ILE N . 10057 1 677 . 1 1 64 64 ALA H H 1 8.108 0.030 . 1 . . . . 64 ALA H . 10057 1 678 . 1 1 64 64 ALA HA H 1 4.053 0.030 . 1 . . . . 64 ALA HA . 10057 1 679 . 1 1 64 64 ALA HB1 H 1 1.453 0.030 . 1 . . . . 64 ALA HB . 10057 1 680 . 1 1 64 64 ALA HB2 H 1 1.453 0.030 . 1 . . . . 64 ALA HB . 10057 1 681 . 1 1 64 64 ALA HB3 H 1 1.453 0.030 . 1 . . . . 64 ALA HB . 10057 1 682 . 1 1 64 64 ALA CA C 13 55.256 0.300 . 1 . . . . 64 ALA CA . 10057 1 683 . 1 1 64 64 ALA CB C 13 18.572 0.300 . 1 . . . . 64 ALA CB . 10057 1 684 . 1 1 64 64 ALA N N 15 121.776 0.300 . 1 . . . . 64 ALA N . 10057 1 685 . 1 1 65 65 SER H H 1 8.018 0.030 . 1 . . . . 65 SER H . 10057 1 686 . 1 1 65 65 SER HA H 1 3.818 0.030 . 1 . . . . 65 SER HA . 10057 1 687 . 1 1 65 65 SER HB2 H 1 3.316 0.030 . 2 . . . . 65 SER HB2 . 10057 1 688 . 1 1 65 65 SER HB3 H 1 3.665 0.030 . 2 . . . . 65 SER HB3 . 10057 1 689 . 1 1 65 65 SER CA C 13 62.619 0.300 . 1 . . . . 65 SER CA . 10057 1 690 . 1 1 65 65 SER CB C 13 63.220 0.300 . 1 . . . . 65 SER CB . 10057 1 691 . 1 1 65 65 SER N N 15 114.538 0.300 . 1 . . . . 65 SER N . 10057 1 692 . 1 1 66 66 SER H H 1 7.811 0.030 . 1 . . . . 66 SER H . 10057 1 693 . 1 1 66 66 SER HA H 1 3.627 0.030 . 1 . . . . 66 SER HA . 10057 1 694 . 1 1 66 66 SER HB2 H 1 3.090 0.030 . 2 . . . . 66 SER HB2 . 10057 1 695 . 1 1 66 66 SER HB3 H 1 3.355 0.030 . 2 . . . . 66 SER HB3 . 10057 1 696 . 1 1 66 66 SER CA C 13 61.463 0.300 . 1 . . . . 66 SER CA . 10057 1 697 . 1 1 66 66 SER CB C 13 62.875 0.300 . 1 . . . . 66 SER CB . 10057 1 698 . 1 1 66 66 SER N N 15 117.105 0.300 . 1 . . . . 66 SER N . 10057 1 699 . 1 1 67 67 SER H H 1 7.693 0.030 . 1 . . . . 67 SER H . 10057 1 700 . 1 1 67 67 SER HA H 1 3.757 0.030 . 1 . . . . 67 SER HA . 10057 1 701 . 1 1 67 67 SER HB2 H 1 3.847 0.030 . 1 . . . . 67 SER HB2 . 10057 1 702 . 1 1 67 67 SER HB3 H 1 3.847 0.030 . 1 . . . . 67 SER HB3 . 10057 1 703 . 1 1 67 67 SER C C 13 176.677 0.300 . 1 . . . . 67 SER C . 10057 1 704 . 1 1 67 67 SER CA C 13 61.109 0.300 . 1 . . . . 67 SER CA . 10057 1 705 . 1 1 67 67 SER CB C 13 62.645 0.300 . 1 . . . . 67 SER CB . 10057 1 706 . 1 1 67 67 SER N N 15 117.939 0.300 . 1 . . . . 67 SER N . 10057 1 707 . 1 1 68 68 LEU H H 1 7.439 0.030 . 1 . . . . 68 LEU H . 10057 1 708 . 1 1 68 68 LEU HA H 1 3.891 0.030 . 1 . . . . 68 LEU HA . 10057 1 709 . 1 1 68 68 LEU HB2 H 1 1.295 0.030 . 2 . . . . 68 LEU HB2 . 10057 1 710 . 1 1 68 68 LEU HB3 H 1 1.337 0.030 . 2 . . . . 68 LEU HB3 . 10057 1 711 . 1 1 68 68 LEU HG H 1 0.474 0.030 . 1 . . . . 68 LEU HG . 10057 1 712 . 1 1 68 68 LEU HD11 H 1 0.301 0.030 . 1 . . . . 68 LEU HD1 . 10057 1 713 . 1 1 68 68 LEU HD12 H 1 0.301 0.030 . 1 . . . . 68 LEU HD1 . 10057 1 714 . 1 1 68 68 LEU HD13 H 1 0.301 0.030 . 1 . . . . 68 LEU HD1 . 10057 1 715 . 1 1 68 68 LEU HD21 H 1 0.460 0.030 . 1 . . . . 68 LEU HD2 . 10057 1 716 . 1 1 68 68 LEU HD22 H 1 0.460 0.030 . 1 . . . . 68 LEU HD2 . 10057 1 717 . 1 1 68 68 LEU HD23 H 1 0.460 0.030 . 1 . . . . 68 LEU HD2 . 10057 1 718 . 1 1 68 68 LEU C C 13 177.843 0.300 . 1 . . . . 68 LEU C . 10057 1 719 . 1 1 68 68 LEU CA C 13 57.593 0.300 . 1 . . . . 68 LEU CA . 10057 1 720 . 1 1 68 68 LEU CB C 13 42.125 0.300 . 1 . . . . 68 LEU CB . 10057 1 721 . 1 1 68 68 LEU CG C 13 26.291 0.300 . 1 . . . . 68 LEU CG . 10057 1 722 . 1 1 68 68 LEU CD1 C 13 26.270 0.300 . 2 . . . . 68 LEU CD1 . 10057 1 723 . 1 1 68 68 LEU CD2 C 13 23.362 0.300 . 2 . . . . 68 LEU CD2 . 10057 1 724 . 1 1 68 68 LEU N N 15 121.131 0.300 . 1 . . . . 68 LEU N . 10057 1 725 . 1 1 69 69 ALA H H 1 7.883 0.030 . 1 . . . . 69 ALA H . 10057 1 726 . 1 1 69 69 ALA HA H 1 3.691 0.030 . 1 . . . . 69 ALA HA . 10057 1 727 . 1 1 69 69 ALA HB1 H 1 1.284 0.030 . 1 . . . . 69 ALA HB . 10057 1 728 . 1 1 69 69 ALA HB2 H 1 1.284 0.030 . 1 . . . . 69 ALA HB . 10057 1 729 . 1 1 69 69 ALA HB3 H 1 1.284 0.030 . 1 . . . . 69 ALA HB . 10057 1 730 . 1 1 69 69 ALA C C 13 178.169 0.300 . 1 . . . . 69 ALA C . 10057 1 731 . 1 1 69 69 ALA CA C 13 55.818 0.300 . 1 . . . . 69 ALA CA . 10057 1 732 . 1 1 69 69 ALA CB C 13 18.372 0.300 . 1 . . . . 69 ALA CB . 10057 1 733 . 1 1 69 69 ALA N N 15 118.550 0.300 . 1 . . . . 69 ALA N . 10057 1 734 . 1 1 70 70 THR H H 1 7.505 0.030 . 1 . . . . 70 THR H . 10057 1 735 . 1 1 70 70 THR HA H 1 3.687 0.030 . 1 . . . . 70 THR HA . 10057 1 736 . 1 1 70 70 THR HB H 1 4.212 0.030 . 1 . . . . 70 THR HB . 10057 1 737 . 1 1 70 70 THR HG21 H 1 1.251 0.030 . 1 . . . . 70 THR HG2 . 10057 1 738 . 1 1 70 70 THR HG22 H 1 1.251 0.030 . 1 . . . . 70 THR HG2 . 10057 1 739 . 1 1 70 70 THR HG23 H 1 1.251 0.030 . 1 . . . . 70 THR HG2 . 10057 1 740 . 1 1 70 70 THR C C 13 175.205 0.300 . 1 . . . . 70 THR C . 10057 1 741 . 1 1 70 70 THR CA C 13 66.808 0.300 . 1 . . . . 70 THR CA . 10057 1 742 . 1 1 70 70 THR CB C 13 68.386 0.300 . 1 . . . . 70 THR CB . 10057 1 743 . 1 1 70 70 THR CG2 C 13 22.836 0.300 . 1 . . . . 70 THR CG2 . 10057 1 744 . 1 1 70 70 THR N N 15 109.040 0.300 . 1 . . . . 70 THR N . 10057 1 745 . 1 1 71 71 GLU H H 1 7.462 0.030 . 1 . . . . 71 GLU H . 10057 1 746 . 1 1 71 71 GLU HA H 1 4.176 0.030 . 1 . . . . 71 GLU HA . 10057 1 747 . 1 1 71 71 GLU HB2 H 1 2.179 0.030 . 1 . . . . 71 GLU HB2 . 10057 1 748 . 1 1 71 71 GLU HB3 H 1 2.179 0.030 . 1 . . . . 71 GLU HB3 . 10057 1 749 . 1 1 71 71 GLU HG2 H 1 2.429 0.030 . 1 . . . . 71 GLU HG2 . 10057 1 750 . 1 1 71 71 GLU HG3 H 1 2.429 0.030 . 1 . . . . 71 GLU HG3 . 10057 1 751 . 1 1 71 71 GLU C C 13 179.737 0.300 . 1 . . . . 71 GLU C . 10057 1 752 . 1 1 71 71 GLU CA C 13 58.638 0.300 . 1 . . . . 71 GLU CA . 10057 1 753 . 1 1 71 71 GLU CB C 13 29.529 0.300 . 1 . . . . 71 GLU CB . 10057 1 754 . 1 1 71 71 GLU CG C 13 35.961 0.300 . 1 . . . . 71 GLU CG . 10057 1 755 . 1 1 71 71 GLU N N 15 118.584 0.300 . 1 . . . . 71 GLU N . 10057 1 756 . 1 1 72 72 TRP H H 1 8.673 0.030 . 1 . . . . 72 TRP H . 10057 1 757 . 1 1 72 72 TRP HA H 1 4.574 0.030 . 1 . . . . 72 TRP HA . 10057 1 758 . 1 1 72 72 TRP HB2 H 1 3.310 0.030 . 2 . . . . 72 TRP HB2 . 10057 1 759 . 1 1 72 72 TRP HB3 H 1 3.116 0.030 . 2 . . . . 72 TRP HB3 . 10057 1 760 . 1 1 72 72 TRP HD1 H 1 7.106 0.030 . 1 . . . . 72 TRP HD1 . 10057 1 761 . 1 1 72 72 TRP HE1 H 1 10.271 0.030 . 1 . . . . 72 TRP HE1 . 10057 1 762 . 1 1 72 72 TRP HE3 H 1 7.250 0.030 . 1 . . . . 72 TRP HE3 . 10057 1 763 . 1 1 72 72 TRP HZ2 H 1 7.367 0.030 . 1 . . . . 72 TRP HZ2 . 10057 1 764 . 1 1 72 72 TRP HZ3 H 1 6.846 0.030 . 1 . . . . 72 TRP HZ3 . 10057 1 765 . 1 1 72 72 TRP HH2 H 1 7.070 0.030 . 1 . . . . 72 TRP HH2 . 10057 1 766 . 1 1 72 72 TRP C C 13 178.245 0.300 . 1 . . . . 72 TRP C . 10057 1 767 . 1 1 72 72 TRP CA C 13 58.672 0.300 . 1 . . . . 72 TRP CA . 10057 1 768 . 1 1 72 72 TRP CB C 13 29.705 0.300 . 1 . . . . 72 TRP CB . 10057 1 769 . 1 1 72 72 TRP CD1 C 13 124.552 0.300 . 1 . . . . 72 TRP CD1 . 10057 1 770 . 1 1 72 72 TRP CE3 C 13 119.426 0.300 . 1 . . . . 72 TRP CE3 . 10057 1 771 . 1 1 72 72 TRP CZ2 C 13 114.773 0.300 . 1 . . . . 72 TRP CZ2 . 10057 1 772 . 1 1 72 72 TRP CZ3 C 13 121.047 0.300 . 1 . . . . 72 TRP CZ3 . 10057 1 773 . 1 1 72 72 TRP CH2 C 13 124.125 0.300 . 1 . . . . 72 TRP CH2 . 10057 1 774 . 1 1 72 72 TRP N N 15 118.600 0.300 . 1 . . . . 72 TRP N . 10057 1 775 . 1 1 72 72 TRP NE1 N 15 128.907 0.300 . 1 . . . . 72 TRP NE1 . 10057 1 776 . 1 1 73 73 VAL H H 1 7.876 0.030 . 1 . . . . 73 VAL H . 10057 1 777 . 1 1 73 73 VAL HA H 1 3.955 0.030 . 1 . . . . 73 VAL HA . 10057 1 778 . 1 1 73 73 VAL HB H 1 2.335 0.030 . 1 . . . . 73 VAL HB . 10057 1 779 . 1 1 73 73 VAL HG11 H 1 1.121 0.030 . 1 . . . . 73 VAL HG1 . 10057 1 780 . 1 1 73 73 VAL HG12 H 1 1.121 0.030 . 1 . . . . 73 VAL HG1 . 10057 1 781 . 1 1 73 73 VAL HG13 H 1 1.121 0.030 . 1 . . . . 73 VAL HG1 . 10057 1 782 . 1 1 73 73 VAL HG21 H 1 1.059 0.030 . 1 . . . . 73 VAL HG2 . 10057 1 783 . 1 1 73 73 VAL HG22 H 1 1.059 0.030 . 1 . . . . 73 VAL HG2 . 10057 1 784 . 1 1 73 73 VAL HG23 H 1 1.059 0.030 . 1 . . . . 73 VAL HG2 . 10057 1 785 . 1 1 73 73 VAL C C 13 175.563 0.300 . 1 . . . . 73 VAL C . 10057 1 786 . 1 1 73 73 VAL CA C 13 63.998 0.300 . 1 . . . . 73 VAL CA . 10057 1 787 . 1 1 73 73 VAL CB C 13 31.844 0.300 . 1 . . . . 73 VAL CB . 10057 1 788 . 1 1 73 73 VAL CG1 C 13 22.288 0.300 . 2 . . . . 73 VAL CG1 . 10057 1 789 . 1 1 73 73 VAL CG2 C 13 20.440 0.300 . 2 . . . . 73 VAL CG2 . 10057 1 790 . 1 1 73 73 VAL N N 15 110.114 0.300 . 1 . . . . 73 VAL N . 10057 1 791 . 1 1 74 74 LYS H H 1 6.782 0.030 . 1 . . . . 74 LYS H . 10057 1 792 . 1 1 74 74 LYS HA H 1 3.640 0.030 . 1 . . . . 74 LYS HA . 10057 1 793 . 1 1 74 74 LYS HB2 H 1 1.855 0.030 . 1 . . . . 74 LYS HB2 . 10057 1 794 . 1 1 74 74 LYS HB3 H 1 1.855 0.030 . 1 . . . . 74 LYS HB3 . 10057 1 795 . 1 1 74 74 LYS HG2 H 1 1.863 0.030 . 2 . . . . 74 LYS HG2 . 10057 1 796 . 1 1 74 74 LYS HG3 H 1 1.097 0.030 . 2 . . . . 74 LYS HG3 . 10057 1 797 . 1 1 74 74 LYS HD2 H 1 1.857 0.030 . 1 . . . . 74 LYS HD2 . 10057 1 798 . 1 1 74 74 LYS HD3 H 1 1.857 0.030 . 1 . . . . 74 LYS HD3 . 10057 1 799 . 1 1 74 74 LYS HE2 H 1 3.115 0.030 . 2 . . . . 74 LYS HE2 . 10057 1 800 . 1 1 74 74 LYS HE3 H 1 3.072 0.030 . 2 . . . . 74 LYS HE3 . 10057 1 801 . 1 1 74 74 LYS C C 13 177.397 0.300 . 1 . . . . 74 LYS C . 10057 1 802 . 1 1 74 74 LYS CA C 13 59.266 0.300 . 1 . . . . 74 LYS CA . 10057 1 803 . 1 1 74 74 LYS CB C 13 32.290 0.300 . 1 . . . . 74 LYS CB . 10057 1 804 . 1 1 74 74 LYS CG C 13 26.352 0.300 . 1 . . . . 74 LYS CG . 10057 1 805 . 1 1 74 74 LYS CD C 13 30.174 0.300 . 1 . . . . 74 LYS CD . 10057 1 806 . 1 1 74 74 LYS CE C 13 42.262 0.300 . 1 . . . . 74 LYS CE . 10057 1 807 . 1 1 74 74 LYS N N 15 118.340 0.300 . 1 . . . . 74 LYS N . 10057 1 808 . 1 1 75 75 GLY H H 1 9.014 0.030 . 1 . . . . 75 GLY H . 10057 1 809 . 1 1 75 75 GLY HA2 H 1 4.302 0.030 . 2 . . . . 75 GLY HA2 . 10057 1 810 . 1 1 75 75 GLY HA3 H 1 3.591 0.030 . 2 . . . . 75 GLY HA3 . 10057 1 811 . 1 1 75 75 GLY C C 13 174.249 0.300 . 1 . . . . 75 GLY C . 10057 1 812 . 1 1 75 75 GLY CA C 13 45.314 0.300 . 1 . . . . 75 GLY CA . 10057 1 813 . 1 1 75 75 GLY N N 15 112.403 0.300 . 1 . . . . 75 GLY N . 10057 1 814 . 1 1 76 76 LYS H H 1 7.710 0.030 . 1 . . . . 76 LYS H . 10057 1 815 . 1 1 76 76 LYS HA H 1 4.630 0.030 . 1 . . . . 76 LYS HA . 10057 1 816 . 1 1 76 76 LYS HB2 H 1 2.011 0.030 . 1 . . . . 76 LYS HB2 . 10057 1 817 . 1 1 76 76 LYS HB3 H 1 2.011 0.030 . 1 . . . . 76 LYS HB3 . 10057 1 818 . 1 1 76 76 LYS HG2 H 1 1.272 0.030 . 2 . . . . 76 LYS HG2 . 10057 1 819 . 1 1 76 76 LYS HG3 H 1 1.323 0.030 . 2 . . . . 76 LYS HG3 . 10057 1 820 . 1 1 76 76 LYS HD2 H 1 1.416 0.030 . 2 . . . . 76 LYS HD2 . 10057 1 821 . 1 1 76 76 LYS HD3 H 1 1.268 0.030 . 2 . . . . 76 LYS HD3 . 10057 1 822 . 1 1 76 76 LYS HE2 H 1 2.760 0.030 . 2 . . . . 76 LYS HE2 . 10057 1 823 . 1 1 76 76 LYS HE3 H 1 2.555 0.030 . 2 . . . . 76 LYS HE3 . 10057 1 824 . 1 1 76 76 LYS C C 13 176.950 0.300 . 1 . . . . 76 LYS C . 10057 1 825 . 1 1 76 76 LYS CA C 13 54.981 0.300 . 1 . . . . 76 LYS CA . 10057 1 826 . 1 1 76 76 LYS CB C 13 34.178 0.300 . 1 . . . . 76 LYS CB . 10057 1 827 . 1 1 76 76 LYS CG C 13 26.083 0.300 . 1 . . . . 76 LYS CG . 10057 1 828 . 1 1 76 76 LYS CD C 13 28.505 0.300 . 1 . . . . 76 LYS CD . 10057 1 829 . 1 1 76 76 LYS CE C 13 42.384 0.300 . 1 . . . . 76 LYS CE . 10057 1 830 . 1 1 76 76 LYS N N 15 120.291 0.300 . 1 . . . . 76 LYS N . 10057 1 831 . 1 1 77 77 THR H H 1 8.770 0.030 . 1 . . . . 77 THR H . 10057 1 832 . 1 1 77 77 THR HA H 1 5.113 0.030 . 1 . . . . 77 THR HA . 10057 1 833 . 1 1 77 77 THR HB H 1 4.768 0.030 . 1 . . . . 77 THR HB . 10057 1 834 . 1 1 77 77 THR HG21 H 1 1.289 0.030 . 1 . . . . 77 THR HG2 . 10057 1 835 . 1 1 77 77 THR HG22 H 1 1.289 0.030 . 1 . . . . 77 THR HG2 . 10057 1 836 . 1 1 77 77 THR HG23 H 1 1.289 0.030 . 1 . . . . 77 THR HG2 . 10057 1 837 . 1 1 77 77 THR C C 13 176.335 0.300 . 1 . . . . 77 THR C . 10057 1 838 . 1 1 77 77 THR CA C 13 60.955 0.300 . 1 . . . . 77 THR CA . 10057 1 839 . 1 1 77 77 THR CB C 13 71.075 0.300 . 1 . . . . 77 THR CB . 10057 1 840 . 1 1 77 77 THR CG2 C 13 22.221 0.300 . 1 . . . . 77 THR CG2 . 10057 1 841 . 1 1 77 77 THR N N 15 110.158 0.300 . 1 . . . . 77 THR N . 10057 1 842 . 1 1 78 78 VAL H H 1 8.290 0.030 . 1 . . . . 78 VAL H . 10057 1 843 . 1 1 78 78 VAL HA H 1 3.563 0.030 . 1 . . . . 78 VAL HA . 10057 1 844 . 1 1 78 78 VAL HB H 1 2.210 0.030 . 1 . . . . 78 VAL HB . 10057 1 845 . 1 1 78 78 VAL HG11 H 1 0.998 0.030 . 1 . . . . 78 VAL HG1 . 10057 1 846 . 1 1 78 78 VAL HG12 H 1 0.998 0.030 . 1 . . . . 78 VAL HG1 . 10057 1 847 . 1 1 78 78 VAL HG13 H 1 0.998 0.030 . 1 . . . . 78 VAL HG1 . 10057 1 848 . 1 1 78 78 VAL HG21 H 1 0.961 0.030 . 1 . . . . 78 VAL HG2 . 10057 1 849 . 1 1 78 78 VAL HG22 H 1 0.961 0.030 . 1 . . . . 78 VAL HG2 . 10057 1 850 . 1 1 78 78 VAL HG23 H 1 0.961 0.030 . 1 . . . . 78 VAL HG2 . 10057 1 851 . 1 1 78 78 VAL C C 13 177.264 0.300 . 1 . . . . 78 VAL C . 10057 1 852 . 1 1 78 78 VAL CA C 13 66.982 0.300 . 1 . . . . 78 VAL CA . 10057 1 853 . 1 1 78 78 VAL CB C 13 31.799 0.300 . 1 . . . . 78 VAL CB . 10057 1 854 . 1 1 78 78 VAL CG1 C 13 21.723 0.300 . 2 . . . . 78 VAL CG1 . 10057 1 855 . 1 1 78 78 VAL CG2 C 13 21.664 0.300 . 2 . . . . 78 VAL CG2 . 10057 1 856 . 1 1 78 78 VAL N N 15 118.189 0.300 . 1 . . . . 78 VAL N . 10057 1 857 . 1 1 79 79 GLU H H 1 8.129 0.030 . 1 . . . . 79 GLU H . 10057 1 858 . 1 1 79 79 GLU HA H 1 4.040 0.030 . 1 . . . . 79 GLU HA . 10057 1 859 . 1 1 79 79 GLU HB2 H 1 2.024 0.030 . 2 . . . . 79 GLU HB2 . 10057 1 860 . 1 1 79 79 GLU HB3 H 1 1.978 0.030 . 2 . . . . 79 GLU HB3 . 10057 1 861 . 1 1 79 79 GLU HG2 H 1 2.384 0.030 . 2 . . . . 79 GLU HG2 . 10057 1 862 . 1 1 79 79 GLU HG3 H 1 2.311 0.030 . 2 . . . . 79 GLU HG3 . 10057 1 863 . 1 1 79 79 GLU C C 13 179.821 0.300 . 1 . . . . 79 GLU C . 10057 1 864 . 1 1 79 79 GLU CA C 13 59.910 0.300 . 1 . . . . 79 GLU CA . 10057 1 865 . 1 1 79 79 GLU CB C 13 29.278 0.300 . 1 . . . . 79 GLU CB . 10057 1 866 . 1 1 79 79 GLU CG C 13 37.023 0.300 . 1 . . . . 79 GLU CG . 10057 1 867 . 1 1 79 79 GLU N N 15 115.777 0.300 . 1 . . . . 79 GLU N . 10057 1 868 . 1 1 80 80 GLU H H 1 7.854 0.030 . 1 . . . . 80 GLU H . 10057 1 869 . 1 1 80 80 GLU HA H 1 4.057 0.030 . 1 . . . . 80 GLU HA . 10057 1 870 . 1 1 80 80 GLU HB2 H 1 2.363 0.030 . 2 . . . . 80 GLU HB2 . 10057 1 871 . 1 1 80 80 GLU HB3 H 1 1.908 0.030 . 2 . . . . 80 GLU HB3 . 10057 1 872 . 1 1 80 80 GLU HG2 H 1 2.247 0.030 . 2 . . . . 80 GLU HG2 . 10057 1 873 . 1 1 80 80 GLU HG3 H 1 2.382 0.030 . 2 . . . . 80 GLU HG3 . 10057 1 874 . 1 1 80 80 GLU C C 13 180.802 0.300 . 1 . . . . 80 GLU C . 10057 1 875 . 1 1 80 80 GLU CA C 13 58.537 0.300 . 1 . . . . 80 GLU CA . 10057 1 876 . 1 1 80 80 GLU CB C 13 30.579 0.300 . 1 . . . . 80 GLU CB . 10057 1 877 . 1 1 80 80 GLU CG C 13 37.011 0.300 . 1 . . . . 80 GLU CG . 10057 1 878 . 1 1 80 80 GLU N N 15 119.639 0.300 . 1 . . . . 80 GLU N . 10057 1 879 . 1 1 81 81 ALA H H 1 8.960 0.030 . 1 . . . . 81 ALA H . 10057 1 880 . 1 1 81 81 ALA HA H 1 4.053 0.030 . 1 . . . . 81 ALA HA . 10057 1 881 . 1 1 81 81 ALA HB1 H 1 1.435 0.030 . 1 . . . . 81 ALA HB . 10057 1 882 . 1 1 81 81 ALA HB2 H 1 1.435 0.030 . 1 . . . . 81 ALA HB . 10057 1 883 . 1 1 81 81 ALA HB3 H 1 1.435 0.030 . 1 . . . . 81 ALA HB . 10057 1 884 . 1 1 81 81 ALA C C 13 178.326 0.300 . 1 . . . . 81 ALA C . 10057 1 885 . 1 1 81 81 ALA CA C 13 54.946 0.300 . 1 . . . . 81 ALA CA . 10057 1 886 . 1 1 81 81 ALA CB C 13 18.530 0.300 . 1 . . . . 81 ALA CB . 10057 1 887 . 1 1 81 81 ALA N N 15 124.313 0.300 . 1 . . . . 81 ALA N . 10057 1 888 . 1 1 82 82 LEU H H 1 7.444 0.030 . 1 . . . . 82 LEU H . 10057 1 889 . 1 1 82 82 LEU HA H 1 4.054 0.030 . 1 . . . . 82 LEU HA . 10057 1 890 . 1 1 82 82 LEU HB2 H 1 1.936 0.030 . 2 . . . . 82 LEU HB2 . 10057 1 891 . 1 1 82 82 LEU HB3 H 1 1.697 0.030 . 2 . . . . 82 LEU HB3 . 10057 1 892 . 1 1 82 82 LEU HG H 1 1.949 0.030 . 1 . . . . 82 LEU HG . 10057 1 893 . 1 1 82 82 LEU HD11 H 1 0.973 0.030 . 1 . . . . 82 LEU HD1 . 10057 1 894 . 1 1 82 82 LEU HD12 H 1 0.973 0.030 . 1 . . . . 82 LEU HD1 . 10057 1 895 . 1 1 82 82 LEU HD13 H 1 0.973 0.030 . 1 . . . . 82 LEU HD1 . 10057 1 896 . 1 1 82 82 LEU HD21 H 1 0.973 0.030 . 1 . . . . 82 LEU HD2 . 10057 1 897 . 1 1 82 82 LEU HD22 H 1 0.973 0.030 . 1 . . . . 82 LEU HD2 . 10057 1 898 . 1 1 82 82 LEU HD23 H 1 0.973 0.030 . 1 . . . . 82 LEU HD2 . 10057 1 899 . 1 1 82 82 LEU C C 13 177.324 0.300 . 1 . . . . 82 LEU C . 10057 1 900 . 1 1 82 82 LEU CA C 13 56.531 0.300 . 1 . . . . 82 LEU CA . 10057 1 901 . 1 1 82 82 LEU CB C 13 42.455 0.300 . 1 . . . . 82 LEU CB . 10057 1 902 . 1 1 82 82 LEU CG C 13 26.641 0.300 . 1 . . . . 82 LEU CG . 10057 1 903 . 1 1 82 82 LEU CD1 C 13 24.182 0.300 . 2 . . . . 82 LEU CD1 . 10057 1 904 . 1 1 82 82 LEU CD2 C 13 25.640 0.300 . 2 . . . . 82 LEU CD2 . 10057 1 905 . 1 1 82 82 LEU N N 15 115.692 0.300 . 1 . . . . 82 LEU N . 10057 1 906 . 1 1 83 83 THR H H 1 7.708 0.030 . 1 . . . . 83 THR H . 10057 1 907 . 1 1 83 83 THR HA H 1 4.370 0.030 . 1 . . . . 83 THR HA . 10057 1 908 . 1 1 83 83 THR HB H 1 4.480 0.030 . 1 . . . . 83 THR HB . 10057 1 909 . 1 1 83 83 THR HG21 H 1 1.354 0.030 . 1 . . . . 83 THR HG2 . 10057 1 910 . 1 1 83 83 THR HG22 H 1 1.354 0.030 . 1 . . . . 83 THR HG2 . 10057 1 911 . 1 1 83 83 THR HG23 H 1 1.354 0.030 . 1 . . . . 83 THR HG2 . 10057 1 912 . 1 1 83 83 THR C C 13 174.699 0.300 . 1 . . . . 83 THR C . 10057 1 913 . 1 1 83 83 THR CA C 13 62.396 0.300 . 1 . . . . 83 THR CA . 10057 1 914 . 1 1 83 83 THR CB C 13 70.086 0.300 . 1 . . . . 83 THR CB . 10057 1 915 . 1 1 83 83 THR CG2 C 13 21.301 0.300 . 1 . . . . 83 THR CG2 . 10057 1 916 . 1 1 83 83 THR N N 15 107.840 0.300 . 1 . . . . 83 THR N . 10057 1 917 . 1 1 84 84 ILE H H 1 7.096 0.030 . 1 . . . . 84 ILE H . 10057 1 918 . 1 1 84 84 ILE HA H 1 3.883 0.030 . 1 . . . . 84 ILE HA . 10057 1 919 . 1 1 84 84 ILE HB H 1 1.896 0.030 . 1 . . . . 84 ILE HB . 10057 1 920 . 1 1 84 84 ILE HG12 H 1 1.046 0.030 . 2 . . . . 84 ILE HG12 . 10057 1 921 . 1 1 84 84 ILE HG13 H 1 1.519 0.030 . 2 . . . . 84 ILE HG13 . 10057 1 922 . 1 1 84 84 ILE HG21 H 1 0.978 0.030 . 1 . . . . 84 ILE HG2 . 10057 1 923 . 1 1 84 84 ILE HG22 H 1 0.978 0.030 . 1 . . . . 84 ILE HG2 . 10057 1 924 . 1 1 84 84 ILE HG23 H 1 0.978 0.030 . 1 . . . . 84 ILE HG2 . 10057 1 925 . 1 1 84 84 ILE HD11 H 1 0.778 0.030 . 1 . . . . 84 ILE HD1 . 10057 1 926 . 1 1 84 84 ILE HD12 H 1 0.778 0.030 . 1 . . . . 84 ILE HD1 . 10057 1 927 . 1 1 84 84 ILE HD13 H 1 0.778 0.030 . 1 . . . . 84 ILE HD1 . 10057 1 928 . 1 1 84 84 ILE C C 13 174.816 0.300 . 1 . . . . 84 ILE C . 10057 1 929 . 1 1 84 84 ILE CA C 13 62.396 0.300 . 1 . . . . 84 ILE CA . 10057 1 930 . 1 1 84 84 ILE CB C 13 37.720 0.300 . 1 . . . . 84 ILE CB . 10057 1 931 . 1 1 84 84 ILE CG1 C 13 28.294 0.300 . 1 . . . . 84 ILE CG1 . 10057 1 932 . 1 1 84 84 ILE CG2 C 13 17.168 0.300 . 1 . . . . 84 ILE CG2 . 10057 1 933 . 1 1 84 84 ILE CD1 C 13 14.325 0.300 . 1 . . . . 84 ILE CD1 . 10057 1 934 . 1 1 84 84 ILE N N 15 123.003 0.300 . 1 . . . . 84 ILE N . 10057 1 935 . 1 1 85 85 LYS H H 1 8.513 0.030 . 1 . . . . 85 LYS H . 10057 1 936 . 1 1 85 85 LYS HA H 1 4.832 0.030 . 1 . . . . 85 LYS HA . 10057 1 937 . 1 1 85 85 LYS HB2 H 1 1.940 0.030 . 2 . . . . 85 LYS HB2 . 10057 1 938 . 1 1 85 85 LYS HB3 H 1 1.795 0.030 . 2 . . . . 85 LYS HB3 . 10057 1 939 . 1 1 85 85 LYS HG2 H 1 1.625 0.030 . 2 . . . . 85 LYS HG2 . 10057 1 940 . 1 1 85 85 LYS HG3 H 1 1.558 0.030 . 2 . . . . 85 LYS HG3 . 10057 1 941 . 1 1 85 85 LYS HD2 H 1 1.752 0.030 . 2 . . . . 85 LYS HD2 . 10057 1 942 . 1 1 85 85 LYS HD3 H 1 1.694 0.030 . 2 . . . . 85 LYS HD3 . 10057 1 943 . 1 1 85 85 LYS HE2 H 1 3.079 0.030 . 1 . . . . 85 LYS HE2 . 10057 1 944 . 1 1 85 85 LYS HE3 H 1 3.079 0.030 . 1 . . . . 85 LYS HE3 . 10057 1 945 . 1 1 85 85 LYS CA C 13 53.882 0.300 . 1 . . . . 85 LYS CA . 10057 1 946 . 1 1 85 85 LYS CB C 13 35.697 0.300 . 1 . . . . 85 LYS CB . 10057 1 947 . 1 1 85 85 LYS CG C 13 24.147 0.300 . 1 . . . . 85 LYS CG . 10057 1 948 . 1 1 85 85 LYS CD C 13 28.549 0.300 . 1 . . . . 85 LYS CD . 10057 1 949 . 1 1 85 85 LYS CE C 13 41.815 0.300 . 1 . . . . 85 LYS CE . 10057 1 950 . 1 1 85 85 LYS N N 15 125.323 0.300 . 1 . . . . 85 LYS N . 10057 1 951 . 1 1 86 86 ASN H H 1 9.935 0.030 . 1 . . . . 86 ASN H . 10057 1 952 . 1 1 86 86 ASN HA H 1 4.105 0.030 . 1 . . . . 86 ASN HA . 10057 1 953 . 1 1 86 86 ASN HB2 H 1 2.545 0.030 . 2 . . . . 86 ASN HB2 . 10057 1 954 . 1 1 86 86 ASN HB3 H 1 3.090 0.030 . 2 . . . . 86 ASN HB3 . 10057 1 955 . 1 1 86 86 ASN HD21 H 1 7.104 0.030 . 2 . . . . 86 ASN HD21 . 10057 1 956 . 1 1 86 86 ASN HD22 H 1 8.098 0.030 . 2 . . . . 86 ASN HD22 . 10057 1 957 . 1 1 86 86 ASN CA C 13 57.027 0.300 . 1 . . . . 86 ASN CA . 10057 1 958 . 1 1 86 86 ASN CB C 13 38.516 0.300 . 1 . . . . 86 ASN CB . 10057 1 959 . 1 1 86 86 ASN N N 15 121.825 0.300 . 1 . . . . 86 ASN N . 10057 1 960 . 1 1 86 86 ASN ND2 N 15 115.978 0.300 . 1 . . . . 86 ASN ND2 . 10057 1 961 . 1 1 87 87 THR H H 1 7.442 0.030 . 1 . . . . 87 THR H . 10057 1 962 . 1 1 87 87 THR HA H 1 3.981 0.030 . 1 . . . . 87 THR HA . 10057 1 963 . 1 1 87 87 THR HB H 1 4.209 0.030 . 1 . . . . 87 THR HB . 10057 1 964 . 1 1 87 87 THR HG21 H 1 1.279 0.030 . 1 . . . . 87 THR HG2 . 10057 1 965 . 1 1 87 87 THR HG22 H 1 1.279 0.030 . 1 . . . . 87 THR HG2 . 10057 1 966 . 1 1 87 87 THR HG23 H 1 1.279 0.030 . 1 . . . . 87 THR HG2 . 10057 1 967 . 1 1 87 87 THR CA C 13 64.474 0.300 . 1 . . . . 87 THR CA . 10057 1 968 . 1 1 87 87 THR CB C 13 68.009 0.300 . 1 . . . . 87 THR CB . 10057 1 969 . 1 1 87 87 THR CG2 C 13 22.731 0.300 . 1 . . . . 87 THR CG2 . 10057 1 970 . 1 1 87 87 THR N N 15 109.854 0.300 . 1 . . . . 87 THR N . 10057 1 971 . 1 1 88 88 ASP H H 1 7.352 0.030 . 1 . . . . 88 ASP H . 10057 1 972 . 1 1 88 88 ASP HA H 1 4.641 0.030 . 1 . . . . 88 ASP HA . 10057 1 973 . 1 1 88 88 ASP HB2 H 1 2.916 0.030 . 2 . . . . 88 ASP HB2 . 10057 1 974 . 1 1 88 88 ASP HB3 H 1 3.085 0.030 . 2 . . . . 88 ASP HB3 . 10057 1 975 . 1 1 88 88 ASP CA C 13 57.490 0.300 . 1 . . . . 88 ASP CA . 10057 1 976 . 1 1 88 88 ASP CB C 13 41.063 0.300 . 1 . . . . 88 ASP CB . 10057 1 977 . 1 1 88 88 ASP N N 15 122.265 0.300 . 1 . . . . 88 ASP N . 10057 1 978 . 1 1 89 89 ILE H H 1 7.335 0.030 . 1 . . . . 89 ILE H . 10057 1 979 . 1 1 89 89 ILE HA H 1 3.508 0.030 . 1 . . . . 89 ILE HA . 10057 1 980 . 1 1 89 89 ILE HB H 1 1.871 0.030 . 1 . . . . 89 ILE HB . 10057 1 981 . 1 1 89 89 ILE HG12 H 1 1.656 0.030 . 2 . . . . 89 ILE HG12 . 10057 1 982 . 1 1 89 89 ILE HG13 H 1 0.776 0.030 . 2 . . . . 89 ILE HG13 . 10057 1 983 . 1 1 89 89 ILE HG21 H 1 0.676 0.030 . 1 . . . . 89 ILE HG2 . 10057 1 984 . 1 1 89 89 ILE HG22 H 1 0.676 0.030 . 1 . . . . 89 ILE HG2 . 10057 1 985 . 1 1 89 89 ILE HG23 H 1 0.676 0.030 . 1 . . . . 89 ILE HG2 . 10057 1 986 . 1 1 89 89 ILE HD11 H 1 0.638 0.030 . 1 . . . . 89 ILE HD1 . 10057 1 987 . 1 1 89 89 ILE HD12 H 1 0.638 0.030 . 1 . . . . 89 ILE HD1 . 10057 1 988 . 1 1 89 89 ILE HD13 H 1 0.638 0.030 . 1 . . . . 89 ILE HD1 . 10057 1 989 . 1 1 89 89 ILE CA C 13 64.499 0.300 . 1 . . . . 89 ILE CA . 10057 1 990 . 1 1 89 89 ILE CB C 13 38.462 0.300 . 1 . . . . 89 ILE CB . 10057 1 991 . 1 1 89 89 ILE CG1 C 13 28.380 0.300 . 1 . . . . 89 ILE CG1 . 10057 1 992 . 1 1 89 89 ILE CG2 C 13 16.765 0.300 . 1 . . . . 89 ILE CG2 . 10057 1 993 . 1 1 89 89 ILE CD1 C 13 12.925 0.300 . 1 . . . . 89 ILE CD1 . 10057 1 994 . 1 1 89 89 ILE N N 15 121.339 0.300 . 1 . . . . 89 ILE N . 10057 1 995 . 1 1 90 90 ALA H H 1 8.283 0.030 . 1 . . . . 90 ALA H . 10057 1 996 . 1 1 90 90 ALA HA H 1 3.763 0.030 . 1 . . . . 90 ALA HA . 10057 1 997 . 1 1 90 90 ALA HB1 H 1 1.473 0.030 . 1 . . . . 90 ALA HB . 10057 1 998 . 1 1 90 90 ALA HB2 H 1 1.473 0.030 . 1 . . . . 90 ALA HB . 10057 1 999 . 1 1 90 90 ALA HB3 H 1 1.473 0.030 . 1 . . . . 90 ALA HB . 10057 1 1000 . 1 1 90 90 ALA C C 13 179.813 0.300 . 1 . . . . 90 ALA C . 10057 1 1001 . 1 1 90 90 ALA CA C 13 55.396 0.300 . 1 . . . . 90 ALA CA . 10057 1 1002 . 1 1 90 90 ALA CB C 13 18.635 0.300 . 1 . . . . 90 ALA CB . 10057 1 1003 . 1 1 90 90 ALA N N 15 119.339 0.300 . 1 . . . . 90 ALA N . 10057 1 1004 . 1 1 91 91 LYS H H 1 7.773 0.030 . 1 . . . . 91 LYS H . 10057 1 1005 . 1 1 91 91 LYS HA H 1 4.144 0.030 . 1 . . . . 91 LYS HA . 10057 1 1006 . 1 1 91 91 LYS HB2 H 1 2.012 0.030 . 2 . . . . 91 LYS HB2 . 10057 1 1007 . 1 1 91 91 LYS HB3 H 1 2.046 0.030 . 2 . . . . 91 LYS HB3 . 10057 1 1008 . 1 1 91 91 LYS HG2 H 1 1.605 0.030 . 2 . . . . 91 LYS HG2 . 10057 1 1009 . 1 1 91 91 LYS HG3 H 1 1.494 0.030 . 2 . . . . 91 LYS HG3 . 10057 1 1010 . 1 1 91 91 LYS HD2 H 1 1.770 0.030 . 1 . . . . 91 LYS HD2 . 10057 1 1011 . 1 1 91 91 LYS HD3 H 1 1.770 0.030 . 1 . . . . 91 LYS HD3 . 10057 1 1012 . 1 1 91 91 LYS HE2 H 1 3.042 0.030 . 1 . . . . 91 LYS HE2 . 10057 1 1013 . 1 1 91 91 LYS HE3 H 1 3.042 0.030 . 1 . . . . 91 LYS HE3 . 10057 1 1014 . 1 1 91 91 LYS C C 13 179.677 0.300 . 1 . . . . 91 LYS C . 10057 1 1015 . 1 1 91 91 LYS CA C 13 59.048 0.300 . 1 . . . . 91 LYS CA . 10057 1 1016 . 1 1 91 91 LYS CB C 13 32.582 0.300 . 1 . . . . 91 LYS CB . 10057 1 1017 . 1 1 91 91 LYS CG C 13 24.909 0.300 . 1 . . . . 91 LYS CG . 10057 1 1018 . 1 1 91 91 LYS CD C 13 29.428 0.300 . 1 . . . . 91 LYS CD . 10057 1 1019 . 1 1 91 91 LYS CE C 13 42.208 0.300 . 1 . . . . 91 LYS CE . 10057 1 1020 . 1 1 91 91 LYS N N 15 116.627 0.300 . 1 . . . . 91 LYS N . 10057 1 1021 . 1 1 92 92 GLU H H 1 7.697 0.030 . 1 . . . . 92 GLU H . 10057 1 1022 . 1 1 92 92 GLU HA H 1 4.181 0.030 . 1 . . . . 92 GLU HA . 10057 1 1023 . 1 1 92 92 GLU HB2 H 1 1.909 0.030 . 2 . . . . 92 GLU HB2 . 10057 1 1024 . 1 1 92 92 GLU HB3 H 1 2.347 0.030 . 2 . . . . 92 GLU HB3 . 10057 1 1025 . 1 1 92 92 GLU HG2 H 1 2.459 0.030 . 2 . . . . 92 GLU HG2 . 10057 1 1026 . 1 1 92 92 GLU HG3 H 1 2.215 0.030 . 2 . . . . 92 GLU HG3 . 10057 1 1027 . 1 1 92 92 GLU C C 13 177.988 0.300 . 1 . . . . 92 GLU C . 10057 1 1028 . 1 1 92 92 GLU CA C 13 58.852 0.300 . 1 . . . . 92 GLU CA . 10057 1 1029 . 1 1 92 92 GLU CB C 13 29.398 0.300 . 1 . . . . 92 GLU CB . 10057 1 1030 . 1 1 92 92 GLU CG C 13 35.173 0.300 . 1 . . . . 92 GLU CG . 10057 1 1031 . 1 1 92 92 GLU N N 15 120.403 0.300 . 1 . . . . 92 GLU N . 10057 1 1032 . 1 1 93 93 LEU H H 1 7.429 0.030 . 1 . . . . 93 LEU H . 10057 1 1033 . 1 1 93 93 LEU HA H 1 4.298 0.030 . 1 . . . . 93 LEU HA . 10057 1 1034 . 1 1 93 93 LEU HB2 H 1 1.535 0.030 . 2 . . . . 93 LEU HB2 . 10057 1 1035 . 1 1 93 93 LEU HB3 H 1 1.491 0.030 . 2 . . . . 93 LEU HB3 . 10057 1 1036 . 1 1 93 93 LEU HG H 1 1.557 0.030 . 1 . . . . 93 LEU HG . 10057 1 1037 . 1 1 93 93 LEU HD11 H 1 0.741 0.030 . 1 . . . . 93 LEU HD1 . 10057 1 1038 . 1 1 93 93 LEU HD12 H 1 0.741 0.030 . 1 . . . . 93 LEU HD1 . 10057 1 1039 . 1 1 93 93 LEU HD13 H 1 0.741 0.030 . 1 . . . . 93 LEU HD1 . 10057 1 1040 . 1 1 93 93 LEU HD21 H 1 0.606 0.030 . 1 . . . . 93 LEU HD2 . 10057 1 1041 . 1 1 93 93 LEU HD22 H 1 0.606 0.030 . 1 . . . . 93 LEU HD2 . 10057 1 1042 . 1 1 93 93 LEU HD23 H 1 0.606 0.030 . 1 . . . . 93 LEU HD2 . 10057 1 1043 . 1 1 93 93 LEU C C 13 175.414 0.300 . 1 . . . . 93 LEU C . 10057 1 1044 . 1 1 93 93 LEU CA C 13 54.110 0.300 . 1 . . . . 93 LEU CA . 10057 1 1045 . 1 1 93 93 LEU CB C 13 41.999 0.300 . 1 . . . . 93 LEU CB . 10057 1 1046 . 1 1 93 93 LEU CG C 13 26.449 0.300 . 1 . . . . 93 LEU CG . 10057 1 1047 . 1 1 93 93 LEU CD1 C 13 22.179 0.300 . 2 . . . . 93 LEU CD1 . 10057 1 1048 . 1 1 93 93 LEU CD2 C 13 26.493 0.300 . 2 . . . . 93 LEU CD2 . 10057 1 1049 . 1 1 93 93 LEU N N 15 113.680 0.300 . 1 . . . . 93 LEU N . 10057 1 1050 . 1 1 94 94 CYS H H 1 7.866 0.030 . 1 . . . . 94 CYS H . 10057 1 1051 . 1 1 94 94 CYS HA H 1 3.989 0.030 . 1 . . . . 94 CYS HA . 10057 1 1052 . 1 1 94 94 CYS HB2 H 1 3.085 0.030 . 2 . . . . 94 CYS HB2 . 10057 1 1053 . 1 1 94 94 CYS HB3 H 1 3.003 0.030 . 2 . . . . 94 CYS HB3 . 10057 1 1054 . 1 1 94 94 CYS C C 13 175.398 0.300 . 1 . . . . 94 CYS C . 10057 1 1055 . 1 1 94 94 CYS CA C 13 59.388 0.300 . 1 . . . . 94 CYS CA . 10057 1 1056 . 1 1 94 94 CYS CB C 13 25.201 0.300 . 1 . . . . 94 CYS CB . 10057 1 1057 . 1 1 94 94 CYS N N 15 117.724 0.300 . 1 . . . . 94 CYS N . 10057 1 1058 . 1 1 95 95 LEU H H 1 7.969 0.030 . 1 . . . . 95 LEU H . 10057 1 1059 . 1 1 95 95 LEU HA H 1 4.385 0.030 . 1 . . . . 95 LEU HA . 10057 1 1060 . 1 1 95 95 LEU HB2 H 1 1.126 0.030 . 2 . . . . 95 LEU HB2 . 10057 1 1061 . 1 1 95 95 LEU HB3 H 1 1.565 0.030 . 2 . . . . 95 LEU HB3 . 10057 1 1062 . 1 1 95 95 LEU HG H 1 1.638 0.030 . 1 . . . . 95 LEU HG . 10057 1 1063 . 1 1 95 95 LEU HD11 H 1 0.760 0.030 . 1 . . . . 95 LEU HD1 . 10057 1 1064 . 1 1 95 95 LEU HD12 H 1 0.760 0.030 . 1 . . . . 95 LEU HD1 . 10057 1 1065 . 1 1 95 95 LEU HD13 H 1 0.760 0.030 . 1 . . . . 95 LEU HD1 . 10057 1 1066 . 1 1 95 95 LEU HD21 H 1 0.757 0.030 . 1 . . . . 95 LEU HD2 . 10057 1 1067 . 1 1 95 95 LEU HD22 H 1 0.757 0.030 . 1 . . . . 95 LEU HD2 . 10057 1 1068 . 1 1 95 95 LEU HD23 H 1 0.757 0.030 . 1 . . . . 95 LEU HD2 . 10057 1 1069 . 1 1 95 95 LEU C C 13 175.004 0.300 . 1 . . . . 95 LEU C . 10057 1 1070 . 1 1 95 95 LEU CA C 13 53.024 0.300 . 1 . . . . 95 LEU CA . 10057 1 1071 . 1 1 95 95 LEU CB C 13 41.552 0.300 . 1 . . . . 95 LEU CB . 10057 1 1072 . 1 1 95 95 LEU CG C 13 26.641 0.300 . 1 . . . . 95 LEU CG . 10057 1 1073 . 1 1 95 95 LEU CD1 C 13 22.666 0.300 . 2 . . . . 95 LEU CD1 . 10057 1 1074 . 1 1 95 95 LEU CD2 C 13 25.591 0.300 . 2 . . . . 95 LEU CD2 . 10057 1 1075 . 1 1 95 95 LEU N N 15 117.924 0.300 . 1 . . . . 95 LEU N . 10057 1 1076 . 1 1 96 96 PRO HA H 1 4.913 0.030 . 1 . . . . 96 PRO HA . 10057 1 1077 . 1 1 96 96 PRO HB2 H 1 2.406 0.030 . 2 . . . . 96 PRO HB2 . 10057 1 1078 . 1 1 96 96 PRO HB3 H 1 2.230 0.030 . 2 . . . . 96 PRO HB3 . 10057 1 1079 . 1 1 96 96 PRO HG2 H 1 2.225 0.030 . 2 . . . . 96 PRO HG2 . 10057 1 1080 . 1 1 96 96 PRO HG3 H 1 1.799 0.030 . 2 . . . . 96 PRO HG3 . 10057 1 1081 . 1 1 96 96 PRO HD2 H 1 4.017 0.030 . 2 . . . . 96 PRO HD2 . 10057 1 1082 . 1 1 96 96 PRO HD3 H 1 3.502 0.030 . 2 . . . . 96 PRO HD3 . 10057 1 1083 . 1 1 96 96 PRO CA C 13 61.356 0.300 . 1 . . . . 96 PRO CA . 10057 1 1084 . 1 1 96 96 PRO CB C 13 30.710 0.300 . 1 . . . . 96 PRO CB . 10057 1 1085 . 1 1 96 96 PRO CG C 13 27.048 0.300 . 1 . . . . 96 PRO CG . 10057 1 1086 . 1 1 96 96 PRO CD C 13 50.680 0.300 . 1 . . . . 96 PRO CD . 10057 1 1087 . 1 1 97 97 PRO HA H 1 4.207 0.030 . 1 . . . . 97 PRO HA . 10057 1 1088 . 1 1 97 97 PRO HB2 H 1 2.431 0.030 . 2 . . . . 97 PRO HB2 . 10057 1 1089 . 1 1 97 97 PRO HB3 H 1 2.023 0.030 . 2 . . . . 97 PRO HB3 . 10057 1 1090 . 1 1 97 97 PRO HG2 H 1 2.228 0.030 . 2 . . . . 97 PRO HG2 . 10057 1 1091 . 1 1 97 97 PRO HG3 H 1 2.086 0.030 . 2 . . . . 97 PRO HG3 . 10057 1 1092 . 1 1 97 97 PRO HD2 H 1 3.880 0.030 . 1 . . . . 97 PRO HD2 . 10057 1 1093 . 1 1 97 97 PRO HD3 H 1 3.880 0.030 . 1 . . . . 97 PRO HD3 . 10057 1 1094 . 1 1 97 97 PRO CA C 13 66.219 0.300 . 1 . . . . 97 PRO CA . 10057 1 1095 . 1 1 97 97 PRO CB C 13 32.023 0.300 . 1 . . . . 97 PRO CB . 10057 1 1096 . 1 1 97 97 PRO CG C 13 27.691 0.300 . 1 . . . . 97 PRO CG . 10057 1 1097 . 1 1 97 97 PRO CD C 13 50.232 0.300 . 1 . . . . 97 PRO CD . 10057 1 1098 . 1 1 98 98 VAL H H 1 8.035 0.030 . 1 . . . . 98 VAL H . 10057 1 1099 . 1 1 98 98 VAL HA H 1 4.350 0.030 . 1 . . . . 98 VAL HA . 10057 1 1100 . 1 1 98 98 VAL HB H 1 2.435 0.030 . 1 . . . . 98 VAL HB . 10057 1 1101 . 1 1 98 98 VAL HG11 H 1 1.074 0.030 . 1 . . . . 98 VAL HG1 . 10057 1 1102 . 1 1 98 98 VAL HG12 H 1 1.074 0.030 . 1 . . . . 98 VAL HG1 . 10057 1 1103 . 1 1 98 98 VAL HG13 H 1 1.074 0.030 . 1 . . . . 98 VAL HG1 . 10057 1 1104 . 1 1 98 98 VAL HG21 H 1 1.115 0.030 . 1 . . . . 98 VAL HG2 . 10057 1 1105 . 1 1 98 98 VAL HG22 H 1 1.115 0.030 . 1 . . . . 98 VAL HG2 . 10057 1 1106 . 1 1 98 98 VAL HG23 H 1 1.115 0.030 . 1 . . . . 98 VAL HG2 . 10057 1 1107 . 1 1 98 98 VAL CA C 13 63.922 0.300 . 1 . . . . 98 VAL CA . 10057 1 1108 . 1 1 98 98 VAL CB C 13 31.616 0.300 . 1 . . . . 98 VAL CB . 10057 1 1109 . 1 1 98 98 VAL CG1 C 13 20.866 0.300 . 2 . . . . 98 VAL CG1 . 10057 1 1110 . 1 1 98 98 VAL CG2 C 13 20.603 0.300 . 2 . . . . 98 VAL CG2 . 10057 1 1111 . 1 1 98 98 VAL N N 15 112.774 0.300 . 1 . . . . 98 VAL N . 10057 1 1112 . 1 1 99 99 LYS H H 1 8.235 0.030 . 1 . . . . 99 LYS H . 10057 1 1113 . 1 1 99 99 LYS HA H 1 4.546 0.030 . 1 . . . . 99 LYS HA . 10057 1 1114 . 1 1 99 99 LYS HB2 H 1 2.184 0.030 . 2 . . . . 99 LYS HB2 . 10057 1 1115 . 1 1 99 99 LYS HB3 H 1 1.675 0.030 . 2 . . . . 99 LYS HB3 . 10057 1 1116 . 1 1 99 99 LYS HG2 H 1 1.624 0.030 . 2 . . . . 99 LYS HG2 . 10057 1 1117 . 1 1 99 99 LYS HG3 H 1 1.405 0.030 . 2 . . . . 99 LYS HG3 . 10057 1 1118 . 1 1 99 99 LYS HD2 H 1 1.863 0.030 . 2 . . . . 99 LYS HD2 . 10057 1 1119 . 1 1 99 99 LYS HD3 H 1 1.594 0.030 . 2 . . . . 99 LYS HD3 . 10057 1 1120 . 1 1 99 99 LYS HE2 H 1 3.070 0.030 . 2 . . . . 99 LYS HE2 . 10057 1 1121 . 1 1 99 99 LYS HE3 H 1 3.141 0.030 . 2 . . . . 99 LYS HE3 . 10057 1 1122 . 1 1 99 99 LYS CA C 13 54.130 0.300 . 1 . . . . 99 LYS CA . 10057 1 1123 . 1 1 99 99 LYS CB C 13 33.598 0.300 . 1 . . . . 99 LYS CB . 10057 1 1124 . 1 1 99 99 LYS CG C 13 24.673 0.300 . 1 . . . . 99 LYS CG . 10057 1 1125 . 1 1 99 99 LYS CD C 13 29.170 0.300 . 1 . . . . 99 LYS CD . 10057 1 1126 . 1 1 99 99 LYS CE C 13 42.452 0.300 . 1 . . . . 99 LYS CE . 10057 1 1127 . 1 1 99 99 LYS N N 15 117.431 0.300 . 1 . . . . 99 LYS N . 10057 1 1128 . 1 1 100 100 LEU H H 1 7.751 0.030 . 1 . . . . 100 LEU H . 10057 1 1129 . 1 1 100 100 LEU HA H 1 4.094 0.030 . 1 . . . . 100 LEU HA . 10057 1 1130 . 1 1 100 100 LEU HB2 H 1 1.886 0.030 . 2 . . . . 100 LEU HB2 . 10057 1 1131 . 1 1 100 100 LEU HB3 H 1 1.627 0.030 . 2 . . . . 100 LEU HB3 . 10057 1 1132 . 1 1 100 100 LEU HG H 1 1.799 0.030 . 1 . . . . 100 LEU HG . 10057 1 1133 . 1 1 100 100 LEU HD11 H 1 0.940 0.030 . 1 . . . . 100 LEU HD1 . 10057 1 1134 . 1 1 100 100 LEU HD12 H 1 0.940 0.030 . 1 . . . . 100 LEU HD1 . 10057 1 1135 . 1 1 100 100 LEU HD13 H 1 0.940 0.030 . 1 . . . . 100 LEU HD1 . 10057 1 1136 . 1 1 100 100 LEU HD21 H 1 0.790 0.030 . 1 . . . . 100 LEU HD2 . 10057 1 1137 . 1 1 100 100 LEU HD22 H 1 0.790 0.030 . 1 . . . . 100 LEU HD2 . 10057 1 1138 . 1 1 100 100 LEU HD23 H 1 0.790 0.030 . 1 . . . . 100 LEU HD2 . 10057 1 1139 . 1 1 100 100 LEU CA C 13 58.169 0.300 . 1 . . . . 100 LEU CA . 10057 1 1140 . 1 1 100 100 LEU CB C 13 40.816 0.300 . 1 . . . . 100 LEU CB . 10057 1 1141 . 1 1 100 100 LEU CG C 13 26.782 0.300 . 1 . . . . 100 LEU CG . 10057 1 1142 . 1 1 100 100 LEU CD1 C 13 24.474 0.300 . 2 . . . . 100 LEU CD1 . 10057 1 1143 . 1 1 100 100 LEU CD2 C 13 23.377 0.300 . 2 . . . . 100 LEU CD2 . 10057 1 1144 . 1 1 100 100 LEU N N 15 123.983 0.300 . 1 . . . . 100 LEU N . 10057 1 1145 . 1 1 101 101 HIS HA H 1 4.424 0.030 . 1 . . . . 101 HIS HA . 10057 1 1146 . 1 1 101 101 HIS HB2 H 1 3.269 0.030 . 1 . . . . 101 HIS HB2 . 10057 1 1147 . 1 1 101 101 HIS HB3 H 1 3.269 0.030 . 1 . . . . 101 HIS HB3 . 10057 1 1148 . 1 1 101 101 HIS HD2 H 1 6.968 0.030 . 1 . . . . 101 HIS HD2 . 10057 1 1149 . 1 1 101 101 HIS HE1 H 1 8.192 0.030 . 1 . . . . 101 HIS HE1 . 10057 1 1150 . 1 1 101 101 HIS C C 13 176.749 0.300 . 1 . . . . 101 HIS C . 10057 1 1151 . 1 1 101 101 HIS CA C 13 59.045 0.300 . 1 . . . . 101 HIS CA . 10057 1 1152 . 1 1 101 101 HIS CB C 13 27.017 0.300 . 1 . . . . 101 HIS CB . 10057 1 1153 . 1 1 101 101 HIS CD2 C 13 129.537 0.300 . 1 . . . . 101 HIS CD2 . 10057 1 1154 . 1 1 101 101 HIS CE1 C 13 139.798 0.300 . 1 . . . . 101 HIS CE1 . 10057 1 1155 . 1 1 102 102 CYS H H 1 7.573 0.030 . 1 . . . . 102 CYS H . 10057 1 1156 . 1 1 102 102 CYS HA H 1 3.686 0.030 . 1 . . . . 102 CYS HA . 10057 1 1157 . 1 1 102 102 CYS HB2 H 1 2.630 0.030 . 2 . . . . 102 CYS HB2 . 10057 1 1158 . 1 1 102 102 CYS HB3 H 1 2.516 0.030 . 2 . . . . 102 CYS HB3 . 10057 1 1159 . 1 1 102 102 CYS C C 13 175.563 0.300 . 1 . . . . 102 CYS C . 10057 1 1160 . 1 1 102 102 CYS CA C 13 62.523 0.300 . 1 . . . . 102 CYS CA . 10057 1 1161 . 1 1 102 102 CYS CB C 13 28.022 0.300 . 1 . . . . 102 CYS CB . 10057 1 1162 . 1 1 102 102 CYS N N 15 120.699 0.300 . 1 . . . . 102 CYS N . 10057 1 1163 . 1 1 103 103 SER H H 1 7.289 0.030 . 1 . . . . 103 SER H . 10057 1 1164 . 1 1 103 103 SER HA H 1 3.919 0.030 . 1 . . . . 103 SER HA . 10057 1 1165 . 1 1 103 103 SER HB2 H 1 3.475 0.030 . 1 . . . . 103 SER HB2 . 10057 1 1166 . 1 1 103 103 SER HB3 H 1 3.475 0.030 . 1 . . . . 103 SER HB3 . 10057 1 1167 . 1 1 103 103 SER C C 13 176.701 0.300 . 1 . . . . 103 SER C . 10057 1 1168 . 1 1 103 103 SER CA C 13 60.769 0.300 . 1 . . . . 103 SER CA . 10057 1 1169 . 1 1 103 103 SER CB C 13 61.813 0.300 . 1 . . . . 103 SER CB . 10057 1 1170 . 1 1 103 103 SER N N 15 113.720 0.300 . 1 . . . . 103 SER N . 10057 1 1171 . 1 1 104 104 MET H H 1 7.476 0.030 . 1 . . . . 104 MET H . 10057 1 1172 . 1 1 104 104 MET HA H 1 4.208 0.030 . 1 . . . . 104 MET HA . 10057 1 1173 . 1 1 104 104 MET HB2 H 1 2.592 0.030 . 1 . . . . 104 MET HB2 . 10057 1 1174 . 1 1 104 104 MET HB3 H 1 2.592 0.030 . 1 . . . . 104 MET HB3 . 10057 1 1175 . 1 1 104 104 MET HG2 H 1 2.278 0.030 . 2 . . . . 104 MET HG2 . 10057 1 1176 . 1 1 104 104 MET HG3 H 1 1.999 0.030 . 2 . . . . 104 MET HG3 . 10057 1 1177 . 1 1 104 104 MET HE1 H 1 2.116 0.030 . 1 . . . . 104 MET HE . 10057 1 1178 . 1 1 104 104 MET HE2 H 1 2.116 0.030 . 1 . . . . 104 MET HE . 10057 1 1179 . 1 1 104 104 MET HE3 H 1 2.116 0.030 . 1 . . . . 104 MET HE . 10057 1 1180 . 1 1 104 104 MET C C 13 176.854 0.300 . 1 . . . . 104 MET C . 10057 1 1181 . 1 1 104 104 MET CA C 13 58.530 0.300 . 1 . . . . 104 MET CA . 10057 1 1182 . 1 1 104 104 MET CB C 13 32.227 0.300 . 1 . . . . 104 MET CB . 10057 1 1183 . 1 1 104 104 MET CG C 13 32.448 0.300 . 1 . . . . 104 MET CG . 10057 1 1184 . 1 1 104 104 MET CE C 13 17.201 0.300 . 1 . . . . 104 MET CE . 10057 1 1185 . 1 1 104 104 MET N N 15 123.226 0.300 . 1 . . . . 104 MET N . 10057 1 1186 . 1 1 105 105 LEU H H 1 7.704 0.030 . 1 . . . . 105 LEU H . 10057 1 1187 . 1 1 105 105 LEU HA H 1 4.219 0.030 . 1 . . . . 105 LEU HA . 10057 1 1188 . 1 1 105 105 LEU HB2 H 1 1.956 0.030 . 2 . . . . 105 LEU HB2 . 10057 1 1189 . 1 1 105 105 LEU HB3 H 1 1.728 0.030 . 2 . . . . 105 LEU HB3 . 10057 1 1190 . 1 1 105 105 LEU HG H 1 1.729 0.030 . 1 . . . . 105 LEU HG . 10057 1 1191 . 1 1 105 105 LEU HD11 H 1 0.841 0.030 . 1 . . . . 105 LEU HD1 . 10057 1 1192 . 1 1 105 105 LEU HD12 H 1 0.841 0.030 . 1 . . . . 105 LEU HD1 . 10057 1 1193 . 1 1 105 105 LEU HD13 H 1 0.841 0.030 . 1 . . . . 105 LEU HD1 . 10057 1 1194 . 1 1 105 105 LEU HD21 H 1 0.828 0.030 . 1 . . . . 105 LEU HD2 . 10057 1 1195 . 1 1 105 105 LEU HD22 H 1 0.828 0.030 . 1 . . . . 105 LEU HD2 . 10057 1 1196 . 1 1 105 105 LEU HD23 H 1 0.828 0.030 . 1 . . . . 105 LEU HD2 . 10057 1 1197 . 1 1 105 105 LEU C C 13 177.240 0.300 . 1 . . . . 105 LEU C . 10057 1 1198 . 1 1 105 105 LEU CA C 13 57.525 0.300 . 1 . . . . 105 LEU CA . 10057 1 1199 . 1 1 105 105 LEU CB C 13 42.524 0.300 . 1 . . . . 105 LEU CB . 10057 1 1200 . 1 1 105 105 LEU CG C 13 25.930 0.300 . 1 . . . . 105 LEU CG . 10057 1 1201 . 1 1 105 105 LEU CD1 C 13 25.124 0.300 . 2 . . . . 105 LEU CD1 . 10057 1 1202 . 1 1 105 105 LEU CD2 C 13 26.775 0.300 . 2 . . . . 105 LEU CD2 . 10057 1 1203 . 1 1 105 105 LEU N N 15 119.390 0.300 . 1 . . . . 105 LEU N . 10057 1 1204 . 1 1 106 106 ALA H H 1 6.926 0.030 . 1 . . . . 106 ALA H . 10057 1 1205 . 1 1 106 106 ALA HA H 1 3.986 0.030 . 1 . . . . 106 ALA HA . 10057 1 1206 . 1 1 106 106 ALA HB1 H 1 1.136 0.030 . 1 . . . . 106 ALA HB . 10057 1 1207 . 1 1 106 106 ALA HB2 H 1 1.136 0.030 . 1 . . . . 106 ALA HB . 10057 1 1208 . 1 1 106 106 ALA HB3 H 1 1.136 0.030 . 1 . . . . 106 ALA HB . 10057 1 1209 . 1 1 106 106 ALA C C 13 178.458 0.300 . 1 . . . . 106 ALA C . 10057 1 1210 . 1 1 106 106 ALA CA C 13 54.981 0.300 . 1 . . . . 106 ALA CA . 10057 1 1211 . 1 1 106 106 ALA CB C 13 18.394 0.300 . 1 . . . . 106 ALA CB . 10057 1 1212 . 1 1 106 106 ALA N N 15 116.824 0.300 . 1 . . . . 106 ALA N . 10057 1 1213 . 1 1 107 107 GLU H H 1 7.491 0.030 . 1 . . . . 107 GLU H . 10057 1 1214 . 1 1 107 107 GLU HA H 1 3.770 0.030 . 1 . . . . 107 GLU HA . 10057 1 1215 . 1 1 107 107 GLU HB2 H 1 2.257 0.030 . 2 . . . . 107 GLU HB2 . 10057 1 1216 . 1 1 107 107 GLU HB3 H 1 1.816 0.030 . 2 . . . . 107 GLU HB3 . 10057 1 1217 . 1 1 107 107 GLU HG2 H 1 2.564 0.030 . 2 . . . . 107 GLU HG2 . 10057 1 1218 . 1 1 107 107 GLU HG3 H 1 2.313 0.030 . 2 . . . . 107 GLU HG3 . 10057 1 1219 . 1 1 107 107 GLU C C 13 177.915 0.300 . 1 . . . . 107 GLU C . 10057 1 1220 . 1 1 107 107 GLU CA C 13 60.224 0.300 . 1 . . . . 107 GLU CA . 10057 1 1221 . 1 1 107 107 GLU CB C 13 29.529 0.300 . 1 . . . . 107 GLU CB . 10057 1 1222 . 1 1 107 107 GLU CG C 13 36.486 0.300 . 1 . . . . 107 GLU CG . 10057 1 1223 . 1 1 107 107 GLU N N 15 117.145 0.300 . 1 . . . . 107 GLU N . 10057 1 1224 . 1 1 108 108 ASP H H 1 8.776 0.030 . 1 . . . . 108 ASP H . 10057 1 1225 . 1 1 108 108 ASP HA H 1 4.407 0.030 . 1 . . . . 108 ASP HA . 10057 1 1226 . 1 1 108 108 ASP HB2 H 1 3.012 0.030 . 2 . . . . 108 ASP HB2 . 10057 1 1227 . 1 1 108 108 ASP HB3 H 1 2.567 0.030 . 2 . . . . 108 ASP HB3 . 10057 1 1228 . 1 1 108 108 ASP C C 13 179.668 0.300 . 1 . . . . 108 ASP C . 10057 1 1229 . 1 1 108 108 ASP CA C 13 57.435 0.300 . 1 . . . . 108 ASP CA . 10057 1 1230 . 1 1 108 108 ASP CB C 13 39.549 0.300 . 1 . . . . 108 ASP CB . 10057 1 1231 . 1 1 108 108 ASP N N 15 119.098 0.300 . 1 . . . . 108 ASP N . 10057 1 1232 . 1 1 109 109 ALA H H 1 8.817 0.030 . 1 . . . . 109 ALA H . 10057 1 1233 . 1 1 109 109 ALA HA H 1 3.843 0.030 . 1 . . . . 109 ALA HA . 10057 1 1234 . 1 1 109 109 ALA HB1 H 1 1.514 0.030 . 1 . . . . 109 ALA HB . 10057 1 1235 . 1 1 109 109 ALA HB2 H 1 1.514 0.030 . 1 . . . . 109 ALA HB . 10057 1 1236 . 1 1 109 109 ALA HB3 H 1 1.514 0.030 . 1 . . . . 109 ALA HB . 10057 1 1237 . 1 1 109 109 ALA C C 13 179.146 0.300 . 1 . . . . 109 ALA C . 10057 1 1238 . 1 1 109 109 ALA CA C 13 55.939 0.300 . 1 . . . . 109 ALA CA . 10057 1 1239 . 1 1 109 109 ALA CB C 13 18.901 0.300 . 1 . . . . 109 ALA CB . 10057 1 1240 . 1 1 109 109 ALA N N 15 124.596 0.300 . 1 . . . . 109 ALA N . 10057 1 1241 . 1 1 110 110 ILE H H 1 7.893 0.030 . 1 . . . . 110 ILE H . 10057 1 1242 . 1 1 110 110 ILE HA H 1 3.423 0.030 . 1 . . . . 110 ILE HA . 10057 1 1243 . 1 1 110 110 ILE HB H 1 2.130 0.030 . 1 . . . . 110 ILE HB . 10057 1 1244 . 1 1 110 110 ILE HG12 H 1 0.703 0.030 . 2 . . . . 110 ILE HG12 . 10057 1 1245 . 1 1 110 110 ILE HG13 H 1 1.943 0.030 . 2 . . . . 110 ILE HG13 . 10057 1 1246 . 1 1 110 110 ILE HG21 H 1 0.839 0.030 . 1 . . . . 110 ILE HG2 . 10057 1 1247 . 1 1 110 110 ILE HG22 H 1 0.839 0.030 . 1 . . . . 110 ILE HG2 . 10057 1 1248 . 1 1 110 110 ILE HG23 H 1 0.839 0.030 . 1 . . . . 110 ILE HG2 . 10057 1 1249 . 1 1 110 110 ILE HD11 H 1 0.831 0.030 . 1 . . . . 110 ILE HD1 . 10057 1 1250 . 1 1 110 110 ILE HD12 H 1 0.831 0.030 . 1 . . . . 110 ILE HD1 . 10057 1 1251 . 1 1 110 110 ILE HD13 H 1 0.831 0.030 . 1 . . . . 110 ILE HD1 . 10057 1 1252 . 1 1 110 110 ILE C C 13 178.028 0.300 . 1 . . . . 110 ILE C . 10057 1 1253 . 1 1 110 110 ILE CA C 13 66.150 0.300 . 1 . . . . 110 ILE CA . 10057 1 1254 . 1 1 110 110 ILE CB C 13 38.208 0.300 . 1 . . . . 110 ILE CB . 10057 1 1255 . 1 1 110 110 ILE CG1 C 13 28.873 0.300 . 1 . . . . 110 ILE CG1 . 10057 1 1256 . 1 1 110 110 ILE CG2 C 13 17.931 0.300 . 1 . . . . 110 ILE CG2 . 10057 1 1257 . 1 1 110 110 ILE CD1 C 13 13.749 0.300 . 1 . . . . 110 ILE CD1 . 10057 1 1258 . 1 1 110 110 ILE N N 15 118.929 0.300 . 1 . . . . 110 ILE N . 10057 1 1259 . 1 1 111 111 LYS H H 1 8.252 0.030 . 1 . . . . 111 LYS H . 10057 1 1260 . 1 1 111 111 LYS HA H 1 3.862 0.030 . 1 . . . . 111 LYS HA . 10057 1 1261 . 1 1 111 111 LYS HB2 H 1 1.982 0.030 . 2 . . . . 111 LYS HB2 . 10057 1 1262 . 1 1 111 111 LYS HB3 H 1 1.868 0.030 . 2 . . . . 111 LYS HB3 . 10057 1 1263 . 1 1 111 111 LYS HG2 H 1 1.875 0.030 . 2 . . . . 111 LYS HG2 . 10057 1 1264 . 1 1 111 111 LYS HG3 H 1 1.479 0.030 . 2 . . . . 111 LYS HG3 . 10057 1 1265 . 1 1 111 111 LYS HD2 H 1 1.810 0.030 . 2 . . . . 111 LYS HD2 . 10057 1 1266 . 1 1 111 111 LYS HD3 H 1 1.851 0.030 . 2 . . . . 111 LYS HD3 . 10057 1 1267 . 1 1 111 111 LYS HE2 H 1 3.129 0.030 . 2 . . . . 111 LYS HE2 . 10057 1 1268 . 1 1 111 111 LYS HE3 H 1 3.087 0.030 . 2 . . . . 111 LYS HE3 . 10057 1 1269 . 1 1 111 111 LYS C C 13 179.809 0.300 . 1 . . . . 111 LYS C . 10057 1 1270 . 1 1 111 111 LYS CA C 13 60.833 0.300 . 1 . . . . 111 LYS CA . 10057 1 1271 . 1 1 111 111 LYS CB C 13 32.325 0.300 . 1 . . . . 111 LYS CB . 10057 1 1272 . 1 1 111 111 LYS CG C 13 27.429 0.300 . 1 . . . . 111 LYS CG . 10057 1 1273 . 1 1 111 111 LYS CD C 13 29.266 0.300 . 1 . . . . 111 LYS CD . 10057 1 1274 . 1 1 111 111 LYS CE C 13 42.914 0.300 . 1 . . . . 111 LYS CE . 10057 1 1275 . 1 1 111 111 LYS N N 15 117.352 0.300 . 1 . . . . 111 LYS N . 10057 1 1276 . 1 1 112 112 ALA H H 1 8.598 0.030 . 1 . . . . 112 ALA H . 10057 1 1277 . 1 1 112 112 ALA HA H 1 4.315 0.030 . 1 . . . . 112 ALA HA . 10057 1 1278 . 1 1 112 112 ALA HB1 H 1 1.558 0.030 . 1 . . . . 112 ALA HB . 10057 1 1279 . 1 1 112 112 ALA HB2 H 1 1.558 0.030 . 1 . . . . 112 ALA HB . 10057 1 1280 . 1 1 112 112 ALA HB3 H 1 1.558 0.030 . 1 . . . . 112 ALA HB . 10057 1 1281 . 1 1 112 112 ALA C C 13 180.400 0.300 . 1 . . . . 112 ALA C . 10057 1 1282 . 1 1 112 112 ALA CA C 13 54.964 0.300 . 1 . . . . 112 ALA CA . 10057 1 1283 . 1 1 112 112 ALA CB C 13 18.427 0.300 . 1 . . . . 112 ALA CB . 10057 1 1284 . 1 1 112 112 ALA N N 15 121.953 0.300 . 1 . . . . 112 ALA N . 10057 1 1285 . 1 1 113 113 ALA H H 1 8.631 0.030 . 1 . . . . 113 ALA H . 10057 1 1286 . 1 1 113 113 ALA HA H 1 3.920 0.030 . 1 . . . . 113 ALA HA . 10057 1 1287 . 1 1 113 113 ALA HB1 H 1 1.412 0.030 . 1 . . . . 113 ALA HB . 10057 1 1288 . 1 1 113 113 ALA HB2 H 1 1.412 0.030 . 1 . . . . 113 ALA HB . 10057 1 1289 . 1 1 113 113 ALA HB3 H 1 1.412 0.030 . 1 . . . . 113 ALA HB . 10057 1 1290 . 1 1 113 113 ALA C C 13 180.039 0.300 . 1 . . . . 113 ALA C . 10057 1 1291 . 1 1 113 113 ALA CA C 13 55.346 0.300 . 1 . . . . 113 ALA CA . 10057 1 1292 . 1 1 113 113 ALA CB C 13 18.221 0.300 . 1 . . . . 113 ALA CB . 10057 1 1293 . 1 1 113 113 ALA N N 15 124.113 0.300 . 1 . . . . 113 ALA N . 10057 1 1294 . 1 1 114 114 LEU H H 1 8.368 0.030 . 1 . . . . 114 LEU H . 10057 1 1295 . 1 1 114 114 LEU HA H 1 4.170 0.030 . 1 . . . . 114 LEU HA . 10057 1 1296 . 1 1 114 114 LEU HB2 H 1 2.024 0.030 . 2 . . . . 114 LEU HB2 . 10057 1 1297 . 1 1 114 114 LEU HB3 H 1 1.471 0.030 . 2 . . . . 114 LEU HB3 . 10057 1 1298 . 1 1 114 114 LEU HG H 1 1.962 0.030 . 1 . . . . 114 LEU HG . 10057 1 1299 . 1 1 114 114 LEU HD11 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 10057 1 1300 . 1 1 114 114 LEU HD12 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 10057 1 1301 . 1 1 114 114 LEU HD13 H 1 0.838 0.030 . 1 . . . . 114 LEU HD1 . 10057 1 1302 . 1 1 114 114 LEU HD21 H 1 0.910 0.030 . 1 . . . . 114 LEU HD2 . 10057 1 1303 . 1 1 114 114 LEU HD22 H 1 0.910 0.030 . 1 . . . . 114 LEU HD2 . 10057 1 1304 . 1 1 114 114 LEU HD23 H 1 0.910 0.030 . 1 . . . . 114 LEU HD2 . 10057 1 1305 . 1 1 114 114 LEU C C 13 179.326 0.300 . 1 . . . . 114 LEU C . 10057 1 1306 . 1 1 114 114 LEU CA C 13 57.715 0.300 . 1 . . . . 114 LEU CA . 10057 1 1307 . 1 1 114 114 LEU CB C 13 41.337 0.300 . 1 . . . . 114 LEU CB . 10057 1 1308 . 1 1 114 114 LEU CG C 13 26.904 0.300 . 1 . . . . 114 LEU CG . 10057 1 1309 . 1 1 114 114 LEU CD1 C 13 23.229 0.300 . 2 . . . . 114 LEU CD1 . 10057 1 1310 . 1 1 114 114 LEU CD2 C 13 26.894 0.300 . 2 . . . . 114 LEU CD2 . 10057 1 1311 . 1 1 114 114 LEU N N 15 117.315 0.300 . 1 . . . . 114 LEU N . 10057 1 1312 . 1 1 115 115 ALA H H 1 8.330 0.030 . 1 . . . . 115 ALA H . 10057 1 1313 . 1 1 115 115 ALA HA H 1 4.199 0.030 . 1 . . . . 115 ALA HA . 10057 1 1314 . 1 1 115 115 ALA HB1 H 1 1.616 0.030 . 1 . . . . 115 ALA HB . 10057 1 1315 . 1 1 115 115 ALA HB2 H 1 1.616 0.030 . 1 . . . . 115 ALA HB . 10057 1 1316 . 1 1 115 115 ALA HB3 H 1 1.616 0.030 . 1 . . . . 115 ALA HB . 10057 1 1317 . 1 1 115 115 ALA C C 13 180.255 0.300 . 1 . . . . 115 ALA C . 10057 1 1318 . 1 1 115 115 ALA CA C 13 55.295 0.300 . 1 . . . . 115 ALA CA . 10057 1 1319 . 1 1 115 115 ALA CB C 13 18.036 0.300 . 1 . . . . 115 ALA CB . 10057 1 1320 . 1 1 115 115 ALA N N 15 122.955 0.300 . 1 . . . . 115 ALA N . 10057 1 1321 . 1 1 116 116 ASP H H 1 7.885 0.030 . 1 . . . . 116 ASP H . 10057 1 1322 . 1 1 116 116 ASP HA H 1 4.508 0.030 . 1 . . . . 116 ASP HA . 10057 1 1323 . 1 1 116 116 ASP HB2 H 1 2.992 0.030 . 1 . . . . 116 ASP HB2 . 10057 1 1324 . 1 1 116 116 ASP HB3 H 1 2.992 0.030 . 1 . . . . 116 ASP HB3 . 10057 1 1325 . 1 1 116 116 ASP C C 13 177.541 0.300 . 1 . . . . 116 ASP C . 10057 1 1326 . 1 1 116 116 ASP CA C 13 57.908 0.300 . 1 . . . . 116 ASP CA . 10057 1 1327 . 1 1 116 116 ASP CB C 13 43.624 0.300 . 1 . . . . 116 ASP CB . 10057 1 1328 . 1 1 116 116 ASP N N 15 119.660 0.300 . 1 . . . . 116 ASP N . 10057 1 1329 . 1 1 117 117 TYR H H 1 8.044 0.030 . 1 . . . . 117 TYR H . 10057 1 1330 . 1 1 117 117 TYR HA H 1 4.076 0.030 . 1 . . . . 117 TYR HA . 10057 1 1331 . 1 1 117 117 TYR HB2 H 1 3.189 0.030 . 2 . . . . 117 TYR HB2 . 10057 1 1332 . 1 1 117 117 TYR HB3 H 1 2.954 0.030 . 2 . . . . 117 TYR HB3 . 10057 1 1333 . 1 1 117 117 TYR HD1 H 1 6.860 0.030 . 1 . . . . 117 TYR HD1 . 10057 1 1334 . 1 1 117 117 TYR HD2 H 1 6.860 0.030 . 1 . . . . 117 TYR HD2 . 10057 1 1335 . 1 1 117 117 TYR HE1 H 1 6.807 0.030 . 1 . . . . 117 TYR HE1 . 10057 1 1336 . 1 1 117 117 TYR HE2 H 1 6.807 0.030 . 1 . . . . 117 TYR HE2 . 10057 1 1337 . 1 1 117 117 TYR C C 13 177.300 0.300 . 1 . . . . 117 TYR C . 10057 1 1338 . 1 1 117 117 TYR CA C 13 61.670 0.300 . 1 . . . . 117 TYR CA . 10057 1 1339 . 1 1 117 117 TYR CB C 13 38.296 0.300 . 1 . . . . 117 TYR CB . 10057 1 1340 . 1 1 117 117 TYR CD1 C 13 132.545 0.300 . 1 . . . . 117 TYR CD1 . 10057 1 1341 . 1 1 117 117 TYR CD2 C 13 132.545 0.300 . 1 . . . . 117 TYR CD2 . 10057 1 1342 . 1 1 117 117 TYR CE1 C 13 118.480 0.300 . 1 . . . . 117 TYR CE1 . 10057 1 1343 . 1 1 117 117 TYR CE2 C 13 118.480 0.300 . 1 . . . . 117 TYR CE2 . 10057 1 1344 . 1 1 117 117 TYR N N 15 117.912 0.300 . 1 . . . . 117 TYR N . 10057 1 1345 . 1 1 118 118 LYS H H 1 8.495 0.030 . 1 . . . . 118 LYS H . 10057 1 1346 . 1 1 118 118 LYS HA H 1 3.588 0.030 . 1 . . . . 118 LYS HA . 10057 1 1347 . 1 1 118 118 LYS HB2 H 1 1.913 0.030 . 2 . . . . 118 LYS HB2 . 10057 1 1348 . 1 1 118 118 LYS HB3 H 1 2.016 0.030 . 2 . . . . 118 LYS HB3 . 10057 1 1349 . 1 1 118 118 LYS HG2 H 1 1.769 0.030 . 2 . . . . 118 LYS HG2 . 10057 1 1350 . 1 1 118 118 LYS HG3 H 1 1.517 0.030 . 2 . . . . 118 LYS HG3 . 10057 1 1351 . 1 1 118 118 LYS HD2 H 1 1.737 0.030 . 1 . . . . 118 LYS HD2 . 10057 1 1352 . 1 1 118 118 LYS HD3 H 1 1.737 0.030 . 1 . . . . 118 LYS HD3 . 10057 1 1353 . 1 1 118 118 LYS HE2 H 1 2.989 0.030 . 1 . . . . 118 LYS HE2 . 10057 1 1354 . 1 1 118 118 LYS HE3 H 1 2.989 0.030 . 1 . . . . 118 LYS HE3 . 10057 1 1355 . 1 1 118 118 LYS C C 13 179.761 0.300 . 1 . . . . 118 LYS C . 10057 1 1356 . 1 1 118 118 LYS CA C 13 60.119 0.300 . 1 . . . . 118 LYS CA . 10057 1 1357 . 1 1 118 118 LYS CB C 13 32.417 0.300 . 1 . . . . 118 LYS CB . 10057 1 1358 . 1 1 118 118 LYS CG C 13 25.722 0.300 . 1 . . . . 118 LYS CG . 10057 1 1359 . 1 1 118 118 LYS CD C 13 29.398 0.300 . 1 . . . . 118 LYS CD . 10057 1 1360 . 1 1 118 118 LYS CE C 13 42.044 0.300 . 1 . . . . 118 LYS CE . 10057 1 1361 . 1 1 118 118 LYS N N 15 119.680 0.300 . 1 . . . . 118 LYS N . 10057 1 1362 . 1 1 119 119 LEU H H 1 8.046 0.030 . 1 . . . . 119 LEU H . 10057 1 1363 . 1 1 119 119 LEU HA H 1 4.138 0.030 . 1 . . . . 119 LEU HA . 10057 1 1364 . 1 1 119 119 LEU HB2 H 1 1.922 0.030 . 2 . . . . 119 LEU HB2 . 10057 1 1365 . 1 1 119 119 LEU HB3 H 1 1.833 0.030 . 2 . . . . 119 LEU HB3 . 10057 1 1366 . 1 1 119 119 LEU HG H 1 1.793 0.030 . 1 . . . . 119 LEU HG . 10057 1 1367 . 1 1 119 119 LEU HD11 H 1 0.997 0.030 . 1 . . . . 119 LEU HD1 . 10057 1 1368 . 1 1 119 119 LEU HD12 H 1 0.997 0.030 . 1 . . . . 119 LEU HD1 . 10057 1 1369 . 1 1 119 119 LEU HD13 H 1 0.997 0.030 . 1 . . . . 119 LEU HD1 . 10057 1 1370 . 1 1 119 119 LEU HD21 H 1 0.969 0.030 . 1 . . . . 119 LEU HD2 . 10057 1 1371 . 1 1 119 119 LEU HD22 H 1 0.969 0.030 . 1 . . . . 119 LEU HD2 . 10057 1 1372 . 1 1 119 119 LEU HD23 H 1 0.969 0.030 . 1 . . . . 119 LEU HD2 . 10057 1 1373 . 1 1 119 119 LEU C C 13 180.063 0.300 . 1 . . . . 119 LEU C . 10057 1 1374 . 1 1 119 119 LEU CA C 13 57.882 0.300 . 1 . . . . 119 LEU CA . 10057 1 1375 . 1 1 119 119 LEU CB C 13 42.002 0.300 . 1 . . . . 119 LEU CB . 10057 1 1376 . 1 1 119 119 LEU CG C 13 27.050 0.300 . 1 . . . . 119 LEU CG . 10057 1 1377 . 1 1 119 119 LEU CD1 C 13 24.671 0.300 . 2 . . . . 119 LEU CD1 . 10057 1 1378 . 1 1 119 119 LEU CD2 C 13 24.358 0.300 . 2 . . . . 119 LEU CD2 . 10057 1 1379 . 1 1 119 119 LEU N N 15 120.330 0.300 . 1 . . . . 119 LEU N . 10057 1 1380 . 1 1 120 120 LYS H H 1 7.692 0.030 . 1 . . . . 120 LYS H . 10057 1 1381 . 1 1 120 120 LYS HA H 1 4.097 0.030 . 1 . . . . 120 LYS HA . 10057 1 1382 . 1 1 120 120 LYS HB2 H 1 2.026 0.030 . 2 . . . . 120 LYS HB2 . 10057 1 1383 . 1 1 120 120 LYS HB3 H 1 1.864 0.030 . 2 . . . . 120 LYS HB3 . 10057 1 1384 . 1 1 120 120 LYS HG2 H 1 1.866 0.030 . 2 . . . . 120 LYS HG2 . 10057 1 1385 . 1 1 120 120 LYS HG3 H 1 1.445 0.030 . 2 . . . . 120 LYS HG3 . 10057 1 1386 . 1 1 120 120 LYS HD2 H 1 1.835 0.030 . 1 . . . . 120 LYS HD2 . 10057 1 1387 . 1 1 120 120 LYS HD3 H 1 1.835 0.030 . 1 . . . . 120 LYS HD3 . 10057 1 1388 . 1 1 120 120 LYS HE2 H 1 3.226 0.030 . 2 . . . . 120 LYS HE2 . 10057 1 1389 . 1 1 120 120 LYS HE3 H 1 3.056 0.030 . 2 . . . . 120 LYS HE3 . 10057 1 1390 . 1 1 120 120 LYS C C 13 178.554 0.300 . 1 . . . . 120 LYS C . 10057 1 1391 . 1 1 120 120 LYS CA C 13 58.830 0.300 . 1 . . . . 120 LYS CA . 10057 1 1392 . 1 1 120 120 LYS CB C 13 33.107 0.300 . 1 . . . . 120 LYS CB . 10057 1 1393 . 1 1 120 120 LYS CG C 13 26.047 0.300 . 1 . . . . 120 LYS CG . 10057 1 1394 . 1 1 120 120 LYS CD C 13 30.315 0.300 . 1 . . . . 120 LYS CD . 10057 1 1395 . 1 1 120 120 LYS CE C 13 42.860 0.300 . 1 . . . . 120 LYS CE . 10057 1 1396 . 1 1 120 120 LYS N N 15 118.103 0.300 . 1 . . . . 120 LYS N . 10057 1 1397 . 1 1 121 121 GLN H H 1 7.594 0.030 . 1 . . . . 121 GLN H . 10057 1 1398 . 1 1 121 121 GLN HA H 1 4.017 0.030 . 1 . . . . 121 GLN HA . 10057 1 1399 . 1 1 121 121 GLN HB2 H 1 2.194 0.030 . 2 . . . . 121 GLN HB2 . 10057 1 1400 . 1 1 121 121 GLN HB3 H 1 1.922 0.030 . 2 . . . . 121 GLN HB3 . 10057 1 1401 . 1 1 121 121 GLN HG2 H 1 2.084 0.030 . 2 . . . . 121 GLN HG2 . 10057 1 1402 . 1 1 121 121 GLN HG3 H 1 1.965 0.030 . 2 . . . . 121 GLN HG3 . 10057 1 1403 . 1 1 121 121 GLN HE21 H 1 6.998 0.030 . 2 . . . . 121 GLN HE21 . 10057 1 1404 . 1 1 121 121 GLN HE22 H 1 6.759 0.030 . 2 . . . . 121 GLN HE22 . 10057 1 1405 . 1 1 121 121 GLN C C 13 177.300 0.300 . 1 . . . . 121 GLN C . 10057 1 1406 . 1 1 121 121 GLN CA C 13 55.712 0.300 . 1 . . . . 121 GLN CA . 10057 1 1407 . 1 1 121 121 GLN CB C 13 28.124 0.300 . 1 . . . . 121 GLN CB . 10057 1 1408 . 1 1 121 121 GLN CG C 13 32.810 0.300 . 1 . . . . 121 GLN CG . 10057 1 1409 . 1 1 121 121 GLN N N 15 115.683 0.300 . 1 . . . . 121 GLN N . 10057 1 1410 . 1 1 121 121 GLN NE2 N 15 117.959 0.300 . 1 . . . . 121 GLN NE2 . 10057 1 1411 . 1 1 122 122 GLU H H 1 7.768 0.030 . 1 . . . . 122 GLU H . 10057 1 1412 . 1 1 122 122 GLU HA H 1 4.258 0.030 . 1 . . . . 122 GLU HA . 10057 1 1413 . 1 1 122 122 GLU HB2 H 1 2.125 0.030 . 2 . . . . 122 GLU HB2 . 10057 1 1414 . 1 1 122 122 GLU HB3 H 1 2.047 0.030 . 2 . . . . 122 GLU HB3 . 10057 1 1415 . 1 1 122 122 GLU HG2 H 1 2.430 0.030 . 2 . . . . 122 GLU HG2 . 10057 1 1416 . 1 1 122 122 GLU HG3 H 1 2.283 0.030 . 2 . . . . 122 GLU HG3 . 10057 1 1417 . 1 1 122 122 GLU C C 13 176.854 0.300 . 1 . . . . 122 GLU C . 10057 1 1418 . 1 1 122 122 GLU CA C 13 56.962 0.300 . 1 . . . . 122 GLU CA . 10057 1 1419 . 1 1 122 122 GLU CB C 13 30.276 0.300 . 1 . . . . 122 GLU CB . 10057 1 1420 . 1 1 122 122 GLU CG C 13 36.364 0.300 . 1 . . . . 122 GLU CG . 10057 1 1421 . 1 1 122 122 GLU N N 15 118.874 0.300 . 1 . . . . 122 GLU N . 10057 1 1422 . 1 1 123 123 SER H H 1 8.043 0.030 . 1 . . . . 123 SER H . 10057 1 1423 . 1 1 123 123 SER HA H 1 4.466 0.030 . 1 . . . . 123 SER HA . 10057 1 1424 . 1 1 123 123 SER HB2 H 1 3.937 0.030 . 1 . . . . 123 SER HB2 . 10057 1 1425 . 1 1 123 123 SER HB3 H 1 3.937 0.030 . 1 . . . . 123 SER HB3 . 10057 1 1426 . 1 1 123 123 SER C C 13 174.767 0.300 . 1 . . . . 123 SER C . 10057 1 1427 . 1 1 123 123 SER CA C 13 58.581 0.300 . 1 . . . . 123 SER CA . 10057 1 1428 . 1 1 123 123 SER CB C 13 63.748 0.300 . 1 . . . . 123 SER CB . 10057 1 1429 . 1 1 123 123 SER N N 15 115.935 0.300 . 1 . . . . 123 SER N . 10057 1 1430 . 1 1 124 124 LYS H H 1 8.347 0.030 . 1 . . . . 124 LYS H . 10057 1 1431 . 1 1 124 124 LYS HA H 1 4.444 0.030 . 1 . . . . 124 LYS HA . 10057 1 1432 . 1 1 124 124 LYS HB2 H 1 1.941 0.030 . 2 . . . . 124 LYS HB2 . 10057 1 1433 . 1 1 124 124 LYS HB3 H 1 1.812 0.030 . 2 . . . . 124 LYS HB3 . 10057 1 1434 . 1 1 124 124 LYS HG2 H 1 1.495 0.030 . 1 . . . . 124 LYS HG2 . 10057 1 1435 . 1 1 124 124 LYS HG3 H 1 1.495 0.030 . 1 . . . . 124 LYS HG3 . 10057 1 1436 . 1 1 124 124 LYS HD2 H 1 1.711 0.030 . 1 . . . . 124 LYS HD2 . 10057 1 1437 . 1 1 124 124 LYS HD3 H 1 1.711 0.030 . 1 . . . . 124 LYS HD3 . 10057 1 1438 . 1 1 124 124 LYS HE2 H 1 3.035 0.030 . 1 . . . . 124 LYS HE2 . 10057 1 1439 . 1 1 124 124 LYS HE3 H 1 3.035 0.030 . 1 . . . . 124 LYS HE3 . 10057 1 1440 . 1 1 124 124 LYS C C 13 176.649 0.300 . 1 . . . . 124 LYS C . 10057 1 1441 . 1 1 124 124 LYS CA C 13 56.357 0.300 . 1 . . . . 124 LYS CA . 10057 1 1442 . 1 1 124 124 LYS CB C 13 32.983 0.300 . 1 . . . . 124 LYS CB . 10057 1 1443 . 1 1 124 124 LYS CG C 13 24.677 0.300 . 1 . . . . 124 LYS CG . 10057 1 1444 . 1 1 124 124 LYS CD C 13 29.038 0.300 . 1 . . . . 124 LYS CD . 10057 1 1445 . 1 1 124 124 LYS CE C 13 42.208 0.300 . 1 . . . . 124 LYS CE . 10057 1 1446 . 1 1 124 124 LYS N N 15 123.512 0.300 . 1 . . . . 124 LYS N . 10057 1 1447 . 1 1 125 125 SER H H 1 8.315 0.030 . 1 . . . . 125 SER H . 10057 1 1448 . 1 1 125 125 SER HA H 1 4.527 0.030 . 1 . . . . 125 SER HA . 10057 1 1449 . 1 1 125 125 SER HB2 H 1 3.899 0.030 . 1 . . . . 125 SER HB2 . 10057 1 1450 . 1 1 125 125 SER HB3 H 1 3.899 0.030 . 1 . . . . 125 SER HB3 . 10057 1 1451 . 1 1 125 125 SER C C 13 174.525 0.300 . 1 . . . . 125 SER C . 10057 1 1452 . 1 1 125 125 SER CA C 13 58.325 0.300 . 1 . . . . 125 SER CA . 10057 1 1453 . 1 1 125 125 SER CB C 13 64.197 0.300 . 1 . . . . 125 SER CB . 10057 1 1454 . 1 1 125 125 SER N N 15 116.612 0.300 . 1 . . . . 125 SER N . 10057 1 1455 . 1 1 126 126 GLY H H 1 8.262 0.030 . 1 . . . . 126 GLY H . 10057 1 1456 . 1 1 126 126 GLY HA2 H 1 4.200 0.030 . 2 . . . . 126 GLY HA2 . 10057 1 1457 . 1 1 126 126 GLY HA3 H 1 4.141 0.030 . 2 . . . . 126 GLY HA3 . 10057 1 1458 . 1 1 126 126 GLY C C 13 171.843 0.300 . 1 . . . . 126 GLY C . 10057 1 1459 . 1 1 126 126 GLY CA C 13 44.730 0.300 . 1 . . . . 126 GLY CA . 10057 1 1460 . 1 1 126 126 GLY N N 15 110.748 0.300 . 1 . . . . 126 GLY N . 10057 1 1461 . 1 1 127 127 PRO HA H 1 4.515 0.030 . 1 . . . . 127 PRO HA . 10057 1 1462 . 1 1 127 127 PRO HB2 H 1 2.334 0.030 . 2 . . . . 127 PRO HB2 . 10057 1 1463 . 1 1 127 127 PRO HB3 H 1 1.987 0.030 . 2 . . . . 127 PRO HB3 . 10057 1 1464 . 1 1 127 127 PRO HG2 H 1 2.049 0.030 . 1 . . . . 127 PRO HG2 . 10057 1 1465 . 1 1 127 127 PRO HG3 H 1 2.049 0.030 . 1 . . . . 127 PRO HG3 . 10057 1 1466 . 1 1 127 127 PRO HD2 H 1 3.670 0.030 . 1 . . . . 127 PRO HD2 . 10057 1 1467 . 1 1 127 127 PRO HD3 H 1 3.670 0.030 . 1 . . . . 127 PRO HD3 . 10057 1 1468 . 1 1 127 127 PRO C C 13 177.473 0.300 . 1 . . . . 127 PRO C . 10057 1 1469 . 1 1 127 127 PRO CA C 13 63.322 0.300 . 1 . . . . 127 PRO CA . 10057 1 1470 . 1 1 127 127 PRO CB C 13 32.347 0.300 . 1 . . . . 127 PRO CB . 10057 1 1471 . 1 1 127 127 PRO CG C 13 27.227 0.300 . 1 . . . . 127 PRO CG . 10057 1 1472 . 1 1 127 127 PRO CD C 13 49.863 0.300 . 1 . . . . 127 PRO CD . 10057 1 1473 . 1 1 128 128 SER H H 1 8.551 0.030 . 1 . . . . 128 SER H . 10057 1 1474 . 1 1 128 128 SER HA H 1 4.539 0.030 . 1 . . . . 128 SER HA . 10057 1 1475 . 1 1 128 128 SER HB2 H 1 3.934 0.030 . 1 . . . . 128 SER HB2 . 10057 1 1476 . 1 1 128 128 SER HB3 H 1 3.934 0.030 . 1 . . . . 128 SER HB3 . 10057 1 1477 . 1 1 128 128 SER C C 13 174.675 0.300 . 1 . . . . 128 SER C . 10057 1 1478 . 1 1 128 128 SER CA C 13 58.394 0.300 . 1 . . . . 128 SER CA . 10057 1 1479 . 1 1 128 128 SER CB C 13 63.855 0.300 . 1 . . . . 128 SER CB . 10057 1 1480 . 1 1 128 128 SER N N 15 116.407 0.300 . 1 . . . . 128 SER N . 10057 1 1481 . 1 1 129 129 SER H H 1 8.344 0.030 . 1 . . . . 129 SER H . 10057 1 1482 . 1 1 129 129 SER CA C 13 58.356 0.300 . 1 . . . . 129 SER CA . 10057 1 1483 . 1 1 129 129 SER CB C 13 64.100 0.300 . 1 . . . . 129 SER CB . 10057 1 1484 . 1 1 129 129 SER N N 15 117.817 0.300 . 1 . . . . 129 SER N . 10057 1 stop_ save_