data_19708 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19708 _Entry.Title ; Voltage Sensor Domain of human KCNQ1 (VSD-Q1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-26 _Entry.Accession_date 2013-12-26 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The Backbone Assignments of VSD-Q1' _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 Dungeng Peng . . . 19708 2 Cheryl Law . . . 19708 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19708 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 278 19708 '15N chemical shifts' 137 19708 '1H chemical shifts' 137 19708 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 . . 2014-04-11 2013-12-26 original author . 19708 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 19708 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24606221 _Citation.Full_citation . _Citation.Title 'Purification and Structural Study of the Voltage-Sensor Domain of the Human KCNQ1 Potassium Ion Channel.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 12 _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 2032 _Citation.Page_last 2042 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dungeng Peng . . . 19708 1 2 Ji-Hun Kim . . . 19708 1 3 Brett Kroncke . M. . 19708 1 4 Cheryl Law . L. . 19708 1 5 Yan Xia . . . 19708 1 6 Kristin Droege . D. . 19708 1 7 Wade 'Van Horn' . D. . 19708 1 8 Carlos Vanoye . G. . 19708 1 9 Charles Sanders . R. . 19708 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19708 _Assembly.ID 1 _Assembly.Name VSD-Q1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17473 _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 'Voltage Sensor Domain' 1 $VSD-Q1 A . yes native no no . . . 19708 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VSD-Q1 _Entity.Sf_category entity _Entity.Sf_framecode VSD-Q1 _Entity.Entry_ID 19708 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VSD-Q1 _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 ; MGHHHHHHGVLARTHVQGRV YNFLERPTGWKCFVYHFAVF LIVLVCLIFSVLSTIEQYAA LATGTLFWMEIVLVVFFGTE YVVRLWSAGCRSKYVGLWGR LRFARKPISIIDLIVVVASM VVLCVGSKGQVFATSAIRGI RFLQILRMLHVDR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-9 are non-native hexa histidine-6 tag; Sequence number counts from the valine after the His-tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Voltage Sensor Domain of KCNQ1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17473 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA34738 . "KVLQT1 isoform2 [Homo sapiens]" . . . . . 74.51 549 100.00 100.00 9.69e-68 . . . . 19708 1 2 no DBJ BAC15571 . "Q1-type potassium channel spliced variant [Mus musculus]" . . . . . 94.12 440 97.22 99.31 3.90e-92 . . . . 19708 1 3 no DBJ BAE32460 . "unnamed protein product [Mus musculus]" . . . . . 94.12 668 97.22 99.31 5.23e-95 . . . . 19708 1 4 no DBJ BAF83307 . "unnamed protein product [Homo sapiens]" . . . . . 74.51 549 100.00 100.00 9.69e-68 . . . . 19708 1 5 no DBJ BAG73570 . "potassium voltage-gated channel, KQT-like subfamily, member 1 [synthetic construct]" . . . . . 94.12 676 100.00 100.00 3.79e-92 . . . . 19708 1 6 no EMBL CAB38863 . "KvLQT-1 potassium channel [Rattus norvegicus]" . . . . . 94.12 669 97.22 99.31 4.70e-95 . . . . 19708 1 7 no EMBL CAB44649 . "KvLQT1 [Homo sapiens]" . . . . . 94.12 676 99.31 99.31 8.54e-91 . . . . 19708 1 8 no EMBL CAB44650 . "KvLQT1 [Homo sapiens]" . . . . . 74.51 549 99.12 99.12 1.40e-66 . . . . 19708 1 9 no GB AAB36518 . "potassium channel subunit [Mus musculus]" . . . . . 94.12 604 97.22 99.31 2.05e-91 . . . . 19708 1 10 no GB AAC05498 . "potassium channel [Cavia porcellus]" . . . . . 58.82 99 97.78 98.89 9.21e-53 . . . . 19708 1 11 no GB AAC05705 . "slow delayed rectifier channel subunit [Homo sapiens]" . . . . . 74.51 548 100.00 100.00 8.72e-68 . . . . 19708 1 12 no GB AAC51776 . "kidney and cardiac voltage dependent K+ channel [Homo sapiens]" . . . . . 94.12 676 100.00 100.00 3.79e-92 . . . . 19708 1 13 no GB AAC51781 . "voltage gated potassium channel [Homo sapiens]" . . . . . 91.50 581 98.57 98.57 1.54e-87 . . . . 19708 1 14 no REF NP_000209 . "potassium voltage-gated channel subfamily KQT member 1 isoform 1 [Homo sapiens]" . . . . . 94.12 676 100.00 100.00 3.79e-92 . . . . 19708 1 15 no REF NP_001166292 . "potassium voltage-gated channel subfamily KQT member 1 [Cavia porcellus]" . . . . . 94.12 671 97.22 99.31 9.89e-91 . . . . 19708 1 16 no REF NP_001192370 . "potassium voltage-gated channel subfamily KQT member 1 [Bos taurus]" . . . . . 94.12 670 97.22 99.31 5.41e-95 . . . . 19708 1 17 no REF NP_032460 . "potassium voltage-gated channel subfamily KQT member 1 [Mus musculus]" . . . . . 94.12 668 97.22 99.31 5.23e-95 . . . . 19708 1 18 no REF NP_114462 . "potassium voltage-gated channel subfamily KQT member 1 [Rattus norvegicus]" . . . . . 94.12 669 97.22 99.31 4.70e-95 . . . . 19708 1 19 no SP O70344 . "RecName: Full=Potassium voltage-gated channel subfamily KQT member 1; AltName: Full=IKs producing slow voltage-gated potassium " . . . . . 58.82 169 97.78 98.89 2.49e-52 . . . . 19708 1 20 no SP P51787 . "RecName: Full=Potassium voltage-gated channel subfamily KQT member 1; AltName: Full=IKs producing slow voltage-gated potassium " . . . . . 94.12 676 100.00 100.00 3.79e-92 . . . . 19708 1 21 no SP P97414 . "RecName: Full=Potassium voltage-gated channel subfamily KQT member 1; AltName: Full=IKs producing slow voltage-gated potassium " . . . . . 94.12 668 97.22 99.31 5.23e-95 . . . . 19708 1 22 no SP Q9MYS6 . "RecName: Full=Potassium voltage-gated channel subfamily KQT member 1; AltName: Full=IKs producing slow voltage-gated potassium " . . . . . 60.13 155 100.00 100.00 3.71e-55 . . . . 19708 1 23 no SP Q9Z0N7 . "RecName: Full=Potassium voltage-gated channel subfamily KQT member 1; AltName: Full=IKs producing slow voltage-gated potassium " . . . . . 94.12 669 97.22 99.31 4.70e-95 . . . . 19708 1 24 no TPG DAA13511 . "TPA: potassium voltage-gated channel, subfamily Q, member 1-like [Bos taurus]" . . . . . 74.51 553 98.25 99.12 5.07e-67 . . . . 19708 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 -8 MET . 19708 1 2 -7 GLY . 19708 1 3 -6 HIS . 19708 1 4 -5 HIS . 19708 1 5 -4 HIS . 19708 1 6 -3 HIS . 19708 1 7 -2 HIS . 19708 1 8 -1 HIS . 19708 1 9 0 GLY . 19708 1 10 1 VAL . 19708 1 11 2 LEU . 19708 1 12 3 ALA . 19708 1 13 4 ARG . 19708 1 14 5 THR . 19708 1 15 6 HIS . 19708 1 16 7 VAL . 19708 1 17 8 GLN . 19708 1 18 9 GLY . 19708 1 19 10 ARG . 19708 1 20 11 VAL . 19708 1 21 12 TYR . 19708 1 22 13 ASN . 19708 1 23 14 PHE . 19708 1 24 15 LEU . 19708 1 25 16 GLU . 19708 1 26 17 ARG . 19708 1 27 18 PRO . 19708 1 28 19 THR . 19708 1 29 20 GLY . 19708 1 30 21 TRP . 19708 1 31 22 LYS . 19708 1 32 23 CYS . 19708 1 33 24 PHE . 19708 1 34 25 VAL . 19708 1 35 26 TYR . 19708 1 36 27 HIS . 19708 1 37 28 PHE . 19708 1 38 29 ALA . 19708 1 39 30 VAL . 19708 1 40 31 PHE . 19708 1 41 32 LEU . 19708 1 42 33 ILE . 19708 1 43 34 VAL . 19708 1 44 35 LEU . 19708 1 45 36 VAL . 19708 1 46 37 CYS . 19708 1 47 38 LEU . 19708 1 48 39 ILE . 19708 1 49 40 PHE . 19708 1 50 41 SER . 19708 1 51 42 VAL . 19708 1 52 43 LEU . 19708 1 53 44 SER . 19708 1 54 45 THR . 19708 1 55 46 ILE . 19708 1 56 47 GLU . 19708 1 57 48 GLN . 19708 1 58 49 TYR . 19708 1 59 50 ALA . 19708 1 60 51 ALA . 19708 1 61 52 LEU . 19708 1 62 53 ALA . 19708 1 63 54 THR . 19708 1 64 55 GLY . 19708 1 65 56 THR . 19708 1 66 57 LEU . 19708 1 67 58 PHE . 19708 1 68 59 TRP . 19708 1 69 60 MET . 19708 1 70 61 GLU . 19708 1 71 62 ILE . 19708 1 72 63 VAL . 19708 1 73 64 LEU . 19708 1 74 65 VAL . 19708 1 75 66 VAL . 19708 1 76 67 PHE . 19708 1 77 68 PHE . 19708 1 78 69 GLY . 19708 1 79 70 THR . 19708 1 80 71 GLU . 19708 1 81 72 TYR . 19708 1 82 73 VAL . 19708 1 83 74 VAL . 19708 1 84 75 ARG . 19708 1 85 76 LEU . 19708 1 86 77 TRP . 19708 1 87 78 SER . 19708 1 88 79 ALA . 19708 1 89 80 GLY . 19708 1 90 81 CYS . 19708 1 91 82 ARG . 19708 1 92 83 SER . 19708 1 93 84 LYS . 19708 1 94 85 TYR . 19708 1 95 86 VAL . 19708 1 96 87 GLY . 19708 1 97 88 LEU . 19708 1 98 89 TRP . 19708 1 99 90 GLY . 19708 1 100 91 ARG . 19708 1 101 92 LEU . 19708 1 102 93 ARG . 19708 1 103 94 PHE . 19708 1 104 95 ALA . 19708 1 105 96 ARG . 19708 1 106 97 LYS . 19708 1 107 98 PRO . 19708 1 108 99 ILE . 19708 1 109 100 SER . 19708 1 110 101 ILE . 19708 1 111 102 ILE . 19708 1 112 103 ASP . 19708 1 113 104 LEU . 19708 1 114 105 ILE . 19708 1 115 106 VAL . 19708 1 116 107 VAL . 19708 1 117 108 VAL . 19708 1 118 109 ALA . 19708 1 119 110 SER . 19708 1 120 111 MET . 19708 1 121 112 VAL . 19708 1 122 113 VAL . 19708 1 123 114 LEU . 19708 1 124 115 CYS . 19708 1 125 116 VAL . 19708 1 126 117 GLY . 19708 1 127 118 SER . 19708 1 128 119 LYS . 19708 1 129 120 GLY . 19708 1 130 121 GLN . 19708 1 131 122 VAL . 19708 1 132 123 PHE . 19708 1 133 124 ALA . 19708 1 134 125 THR . 19708 1 135 126 SER . 19708 1 136 127 ALA . 19708 1 137 128 ILE . 19708 1 138 129 ARG . 19708 1 139 130 GLY . 19708 1 140 131 ILE . 19708 1 141 132 ARG . 19708 1 142 133 PHE . 19708 1 143 134 LEU . 19708 1 144 135 GLN . 19708 1 145 136 ILE . 19708 1 146 137 LEU . 19708 1 147 138 ARG . 19708 1 148 139 MET . 19708 1 149 140 LEU . 19708 1 150 141 HIS . 19708 1 151 142 VAL . 19708 1 152 143 ASP . 19708 1 153 144 ARG . 19708 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19708 1 . GLY 2 2 19708 1 . HIS 3 3 19708 1 . HIS 4 4 19708 1 . HIS 5 5 19708 1 . HIS 6 6 19708 1 . HIS 7 7 19708 1 . HIS 8 8 19708 1 . GLY 9 9 19708 1 . VAL 10 10 19708 1 . LEU 11 11 19708 1 . ALA 12 12 19708 1 . ARG 13 13 19708 1 . THR 14 14 19708 1 . HIS 15 15 19708 1 . VAL 16 16 19708 1 . GLN 17 17 19708 1 . GLY 18 18 19708 1 . ARG 19 19 19708 1 . VAL 20 20 19708 1 . TYR 21 21 19708 1 . ASN 22 22 19708 1 . PHE 23 23 19708 1 . LEU 24 24 19708 1 . GLU 25 25 19708 1 . ARG 26 26 19708 1 . PRO 27 27 19708 1 . THR 28 28 19708 1 . GLY 29 29 19708 1 . TRP 30 30 19708 1 . LYS 31 31 19708 1 . CYS 32 32 19708 1 . PHE 33 33 19708 1 . VAL 34 34 19708 1 . TYR 35 35 19708 1 . HIS 36 36 19708 1 . PHE 37 37 19708 1 . ALA 38 38 19708 1 . VAL 39 39 19708 1 . PHE 40 40 19708 1 . LEU 41 41 19708 1 . ILE 42 42 19708 1 . VAL 43 43 19708 1 . LEU 44 44 19708 1 . VAL 45 45 19708 1 . CYS 46 46 19708 1 . LEU 47 47 19708 1 . ILE 48 48 19708 1 . PHE 49 49 19708 1 . SER 50 50 19708 1 . VAL 51 51 19708 1 . LEU 52 52 19708 1 . SER 53 53 19708 1 . THR 54 54 19708 1 . ILE 55 55 19708 1 . GLU 56 56 19708 1 . GLN 57 57 19708 1 . TYR 58 58 19708 1 . ALA 59 59 19708 1 . ALA 60 60 19708 1 . LEU 61 61 19708 1 . ALA 62 62 19708 1 . THR 63 63 19708 1 . GLY 64 64 19708 1 . THR 65 65 19708 1 . LEU 66 66 19708 1 . PHE 67 67 19708 1 . TRP 68 68 19708 1 . MET 69 69 19708 1 . GLU 70 70 19708 1 . ILE 71 71 19708 1 . VAL 72 72 19708 1 . LEU 73 73 19708 1 . VAL 74 74 19708 1 . VAL 75 75 19708 1 . PHE 76 76 19708 1 . PHE 77 77 19708 1 . GLY 78 78 19708 1 . THR 79 79 19708 1 . GLU 80 80 19708 1 . TYR 81 81 19708 1 . VAL 82 82 19708 1 . VAL 83 83 19708 1 . ARG 84 84 19708 1 . LEU 85 85 19708 1 . TRP 86 86 19708 1 . SER 87 87 19708 1 . ALA 88 88 19708 1 . GLY 89 89 19708 1 . CYS 90 90 19708 1 . ARG 91 91 19708 1 . SER 92 92 19708 1 . LYS 93 93 19708 1 . TYR 94 94 19708 1 . VAL 95 95 19708 1 . GLY 96 96 19708 1 . LEU 97 97 19708 1 . TRP 98 98 19708 1 . GLY 99 99 19708 1 . ARG 100 100 19708 1 . LEU 101 101 19708 1 . ARG 102 102 19708 1 . PHE 103 103 19708 1 . ALA 104 104 19708 1 . ARG 105 105 19708 1 . LYS 106 106 19708 1 . PRO 107 107 19708 1 . ILE 108 108 19708 1 . SER 109 109 19708 1 . ILE 110 110 19708 1 . ILE 111 111 19708 1 . ASP 112 112 19708 1 . LEU 113 113 19708 1 . ILE 114 114 19708 1 . VAL 115 115 19708 1 . VAL 116 116 19708 1 . VAL 117 117 19708 1 . ALA 118 118 19708 1 . SER 119 119 19708 1 . MET 120 120 19708 1 . VAL 121 121 19708 1 . VAL 122 122 19708 1 . LEU 123 123 19708 1 . CYS 124 124 19708 1 . VAL 125 125 19708 1 . GLY 126 126 19708 1 . SER 127 127 19708 1 . LYS 128 128 19708 1 . GLY 129 129 19708 1 . GLN 130 130 19708 1 . VAL 131 131 19708 1 . PHE 132 132 19708 1 . ALA 133 133 19708 1 . THR 134 134 19708 1 . SER 135 135 19708 1 . ALA 136 136 19708 1 . ILE 137 137 19708 1 . ARG 138 138 19708 1 . GLY 139 139 19708 1 . ILE 140 140 19708 1 . ARG 141 141 19708 1 . PHE 142 142 19708 1 . LEU 143 143 19708 1 . GLN 144 144 19708 1 . ILE 145 145 19708 1 . LEU 146 146 19708 1 . ARG 147 147 19708 1 . MET 148 148 19708 1 . LEU 149 149 19708 1 . HIS 150 150 19708 1 . VAL 151 151 19708 1 . ASP 152 152 19708 1 . ARG 153 153 19708 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19708 _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 $VSD-Q1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli C43(DE3) Rosetta/C43(DE3) . . . . . . . . . . . . . . . . . . . 19708 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 19708 _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 $VSD-Q1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C43(DE3) Rosetta/C43(DE3) . . . . . . . . . . . . . . pET16b . . . 'Rosetta/C43(DE3) is a modified C43(DE3) strain containing the pRARE plasmid encoding rare codon tRNA for arginine, glycine, isoleucine, leucine, and proline.' . . 19708 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19708 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C-15N specific labeled sample was grown in M9 culture with 70% D2O. After purification, the sample was exchanged into 50 mM MES buffer (pH5.50) with additional 10% D2O, 0.5 mM EDTA and 2 mM TCEP. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VSD-Q1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $VSD-Q1 . . 0.5 . . mM . . . . 19708 1 2 'MES buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19708 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19708 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19708 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19708 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-15N VSD-Q1 was grown in normal M9 and purified into MES buffer with additional 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VSD-Q1 '[U-100% 15N]' . . . . . . 0.5 . . mM . . . . 19708 2 2 'MES buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19708 2 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19708 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19708 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19708 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR sample was adjusted to 0.5 mM protein/60 mM LPPG. The NMR experiments were preformed at 323K on either 800 or 900 MHz Bruker Spectrometer.' 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' 50 . mM 19708 1 pH 5.50 . pH 19708 1 pressure 1 . atm 19708 1 temperature 323 . K 19708 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19708 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.106 _Software.Details http://www.cgl.ucsf.edu/home/sparky/ loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19708 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19708 1 'data analysis' 19708 1 'peak picking' 19708 1 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 19708 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19708 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19708 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19708 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 cryo-probe . . 19708 1 2 spectrometer_2 Bruker Avance . 900 . . . 19708 1 3 spectrometer_3 Bruker Avance . 600 . . . 19708 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19708 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19708 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19708 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19708 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19708 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19708 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19708 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19708 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19708 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19708 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19708 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19708 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 19708 1 2 '3D HN(CO)CA' . . . 19708 1 3 '3D HNCACB' . . . 19708 1 4 '3D HNCO' . . . 19708 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 19708 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 10 10 VAL H H 1 8.19 0.01 . 1 . . . . 1 VAL H . 19708 1 2 . 1 1 10 10 VAL C C 13 176.56 0.1 . 1 . . . . 1 VAL C . 19708 1 3 . 1 1 10 10 VAL CA C 13 63.65 0.1 . 1 . . . . 1 VAL CA . 19708 1 4 . 1 1 10 10 VAL N N 15 119.46 0.1 . 1 . . . . 1 VAL N . 19708 1 5 . 1 1 11 11 LEU H H 1 8.26 0.01 . 1 . . . . 2 LEU H . 19708 1 6 . 1 1 11 11 LEU C C 13 177.66 0.1 . 1 . . . . 2 LEU C . 19708 1 7 . 1 1 11 11 LEU CA C 13 55.78 0.1 . 1 . . . . 2 LEU CA . 19708 1 8 . 1 1 11 11 LEU N N 15 121.32 0.1 . 1 . . . . 2 LEU N . 19708 1 9 . 1 1 12 12 ALA H H 1 8.01 0.01 . 1 . . . . 3 ALA H . 19708 1 10 . 1 1 12 12 ALA C C 13 178.46 0.1 . 1 . . . . 3 ALA C . 19708 1 11 . 1 1 12 12 ALA CA C 13 53.05 0.1 . 1 . . . . 3 ALA CA . 19708 1 12 . 1 1 12 12 ALA N N 15 122.55 0.1 . 1 . . . . 3 ALA N . 19708 1 13 . 1 1 13 13 ARG H H 1 8.12 0.01 . 1 . . . . 4 ARG H . 19708 1 14 . 1 1 13 13 ARG C C 13 176.66 0.1 . 1 . . . . 4 ARG C . 19708 1 15 . 1 1 13 13 ARG CA C 13 56.68 0.1 . 1 . . . . 4 ARG CA . 19708 1 16 . 1 1 13 13 ARG N N 15 117.96 0.1 . 1 . . . . 4 ARG N . 19708 1 17 . 1 1 14 14 THR H H 1 7.79 0.01 . 1 . . . . 5 THR H . 19708 1 18 . 1 1 14 14 THR C C 13 174.76 0.1 . 1 . . . . 5 THR C . 19708 1 19 . 1 1 14 14 THR CA C 13 62.51 0.1 . 1 . . . . 5 THR CA . 19708 1 20 . 1 1 14 14 THR N N 15 111.55 0.1 . 1 . . . . 5 THR N . 19708 1 21 . 1 1 15 15 HIS H H 1 8.27 0.01 . 1 . . . . 6 HIS H . 19708 1 22 . 1 1 15 15 HIS C C 13 175.26 0.1 . 1 . . . . 6 HIS C . 19708 1 23 . 1 1 15 15 HIS CA C 13 55.72 0.1 . 1 . . . . 6 HIS CA . 19708 1 24 . 1 1 15 15 HIS N N 15 118.69 0.1 . 1 . . . . 6 HIS N . 19708 1 25 . 1 1 16 16 VAL H H 1 8.11 0.01 . 1 . . . . 7 VAL H . 19708 1 26 . 1 1 16 16 VAL C C 13 176.16 0.1 . 1 . . . . 7 VAL C . 19708 1 27 . 1 1 16 16 VAL CA C 13 63.49 0.1 . 1 . . . . 7 VAL CA . 19708 1 28 . 1 1 16 16 VAL N N 15 118.92 0.1 . 1 . . . . 7 VAL N . 19708 1 29 . 1 1 17 17 GLN H H 1 8.62 0.01 . 1 . . . . 8 GLN H . 19708 1 30 . 1 1 17 17 GLN C C 13 176.96 0.1 . 1 . . . . 8 GLN C . 19708 1 31 . 1 1 17 17 GLN CA C 13 57.97 0.1 . 1 . . . . 8 GLN CA . 19708 1 32 . 1 1 17 17 GLN N N 15 121.63 0.1 . 1 . . . . 8 GLN N . 19708 1 33 . 1 1 18 18 GLY H H 1 8.07 0.01 . 1 . . . . 9 GLY H . 19708 1 34 . 1 1 18 18 GLY C C 13 175.56 0.1 . 1 . . . . 9 GLY C . 19708 1 35 . 1 1 18 18 GLY CA C 13 46.32 0.1 . 1 . . . . 9 GLY CA . 19708 1 36 . 1 1 18 18 GLY N N 15 108.27 0.1 . 1 . . . . 9 GLY N . 19708 1 37 . 1 1 19 19 ARG H H 1 8.07 0.01 . 1 . . . . 10 ARG H . 19708 1 38 . 1 1 19 19 ARG C C 13 178.26 0.1 . 1 . . . . 10 ARG C . 19708 1 39 . 1 1 19 19 ARG CA C 13 57.55 0.1 . 1 . . . . 10 ARG CA . 19708 1 40 . 1 1 19 19 ARG N N 15 120.65 0.1 . 1 . . . . 10 ARG N . 19708 1 41 . 1 1 20 20 VAL H H 1 8.07 0.01 . 1 . . . . 11 VAL H . 19708 1 42 . 1 1 20 20 VAL C C 13 175.26 0.1 . 1 . . . . 11 VAL C . 19708 1 43 . 1 1 20 20 VAL CA C 13 65.31 0.1 . 1 . . . . 11 VAL CA . 19708 1 44 . 1 1 20 20 VAL N N 15 118.84 0.1 . 1 . . . . 11 VAL N . 19708 1 45 . 1 1 21 21 TYR H H 1 8.07 0.01 . 1 . . . . 12 TYR H . 19708 1 46 . 1 1 21 21 TYR C C 13 176.96 0.1 . 1 . . . . 12 TYR C . 19708 1 47 . 1 1 21 21 TYR CA C 13 60.34 0.1 . 1 . . . . 12 TYR CA . 19708 1 48 . 1 1 21 21 TYR N N 15 119.8 0.1 . 1 . . . . 12 TYR N . 19708 1 49 . 1 1 22 22 ASN H H 1 8.15 0.01 . 1 . . . . 13 ASN H . 19708 1 50 . 1 1 22 22 ASN C C 13 177.26 0.1 . 1 . . . . 13 ASN C . 19708 1 51 . 1 1 22 22 ASN CA C 13 55.53 0.1 . 1 . . . . 13 ASN CA . 19708 1 52 . 1 1 22 22 ASN N N 15 116.72 0.1 . 1 . . . . 13 ASN N . 19708 1 53 . 1 1 23 23 PHE H H 1 7.87 0.01 . 1 . . . . 14 PHE H . 19708 1 54 . 1 1 23 23 PHE C C 13 176.56 0.1 . 1 . . . . 14 PHE C . 19708 1 55 . 1 1 23 23 PHE CA C 13 60.08 0.1 . 1 . . . . 14 PHE CA . 19708 1 56 . 1 1 23 23 PHE N N 15 119.38 0.1 . 1 . . . . 14 PHE N . 19708 1 57 . 1 1 24 24 LEU H H 1 7.9 0.01 . 1 . . . . 15 LEU H . 19708 1 58 . 1 1 24 24 LEU C C 13 177.16 0.1 . 1 . . . . 15 LEU C . 19708 1 59 . 1 1 24 24 LEU CA C 13 55.97 0.1 . 1 . . . . 15 LEU CA . 19708 1 60 . 1 1 24 24 LEU N N 15 117.76 0.1 . 1 . . . . 15 LEU N . 19708 1 61 . 1 1 25 25 GLU H H 1 7.61 0.01 . 1 . . . . 16 GLU H . 19708 1 62 . 1 1 25 25 GLU C C 13 176.06 0.1 . 1 . . . . 16 GLU C . 19708 1 63 . 1 1 25 25 GLU CA C 13 56.19 0.1 . 1 . . . . 16 GLU CA . 19708 1 64 . 1 1 25 25 GLU N N 15 115.68 0.1 . 1 . . . . 16 GLU N . 19708 1 65 . 1 1 26 26 ARG H H 1 7.58 0.01 . 1 . . . . 17 ARG H . 19708 1 66 . 1 1 26 26 ARG C C 13 173.4 0.1 . 1 . . . . 17 ARG C . 19708 1 67 . 1 1 26 26 ARG CA C 13 54.01 0.1 . 1 . . . . 17 ARG CA . 19708 1 68 . 1 1 26 26 ARG N N 15 119.78 0.1 . 1 . . . . 17 ARG N . 19708 1 69 . 1 1 27 27 PRO C C 13 174.4 0.1 . 1 . . . . 18 PRO C . 19708 1 70 . 1 1 27 27 PRO CA C 13 60.99 0.1 . 1 . . . . 18 PRO CA . 19708 1 71 . 1 1 28 28 THR H H 1 7.79 0.01 . 1 . . . . 19 THR H . 19708 1 72 . 1 1 28 28 THR C C 13 175.66 0.1 . 1 . . . . 19 THR C . 19708 1 73 . 1 1 28 28 THR CA C 13 62.16 0.1 . 1 . . . . 19 THR CA . 19708 1 74 . 1 1 28 28 THR N N 15 112.73 0.1 . 1 . . . . 19 THR N . 19708 1 75 . 1 1 29 29 GLY H H 1 8.18 0.01 . 1 . . . . 20 GLY H . 19708 1 76 . 1 1 29 29 GLY C C 13 175.76 0.1 . 1 . . . . 20 GLY C . 19708 1 77 . 1 1 29 29 GLY CA C 13 46.18 0.1 . 1 . . . . 20 GLY CA . 19708 1 78 . 1 1 29 29 GLY N N 15 110.71 0.1 . 1 . . . . 20 GLY N . 19708 1 79 . 1 1 30 30 TRP H H 1 8.18 0.01 . 1 . . . . 21 TRP H . 19708 1 80 . 1 1 30 30 TRP C C 13 177.66 0.1 . 1 . . . . 21 TRP C . 19708 1 81 . 1 1 30 30 TRP CA C 13 59.02 0.1 . 1 . . . . 21 TRP CA . 19708 1 82 . 1 1 30 30 TRP N N 15 121.06 0.1 . 1 . . . . 21 TRP N . 19708 1 83 . 1 1 31 31 LYS H H 1 7.73 0.01 . 1 . . . . 22 LYS H . 19708 1 84 . 1 1 31 31 LYS C C 13 177.86 0.1 . 1 . . . . 22 LYS C . 19708 1 85 . 1 1 31 31 LYS CA C 13 60.25 0.1 . 1 . . . . 22 LYS CA . 19708 1 86 . 1 1 31 31 LYS N N 15 121.5 0.1 . 1 . . . . 22 LYS N . 19708 1 87 . 1 1 32 32 CYS H H 1 7.92 0.01 . 1 . . . . 23 CYS H . 19708 1 88 . 1 1 32 32 CYS C C 13 177.26 0.1 . 1 . . . . 23 CYS C . 19708 1 89 . 1 1 32 32 CYS CA C 13 61.56 0.1 . 1 . . . . 23 CYS CA . 19708 1 90 . 1 1 32 32 CYS N N 15 117.3 0.1 . 1 . . . . 23 CYS N . 19708 1 91 . 1 1 33 33 PHE H H 1 7.78 0.01 . 1 . . . . 24 PHE H . 19708 1 92 . 1 1 33 33 PHE C C 13 177.46 0.1 . 1 . . . . 24 PHE C . 19708 1 93 . 1 1 33 33 PHE CA C 13 58.13 0.1 . 1 . . . . 24 PHE CA . 19708 1 94 . 1 1 33 33 PHE N N 15 119.23 0.1 . 1 . . . . 24 PHE N . 19708 1 95 . 1 1 34 34 VAL H H 1 8.33 0.01 . 1 . . . . 25 VAL H . 19708 1 96 . 1 1 34 34 VAL C C 13 177.26 0.1 . 1 . . . . 25 VAL C . 19708 1 97 . 1 1 34 34 VAL CA C 13 66.6 0.1 . 1 . . . . 25 VAL CA . 19708 1 98 . 1 1 34 34 VAL N N 15 120.1 0.1 . 1 . . . . 25 VAL N . 19708 1 99 . 1 1 35 35 TYR H H 1 8.32 0.01 . 1 . . . . 26 TYR H . 19708 1 100 . 1 1 35 35 TYR C C 13 177.16 0.1 . 1 . . . . 26 TYR C . 19708 1 101 . 1 1 35 35 TYR CA C 13 60.98 0.1 . 1 . . . . 26 TYR CA . 19708 1 102 . 1 1 35 35 TYR N N 15 119.3 0.1 . 1 . . . . 26 TYR N . 19708 1 103 . 1 1 36 36 HIS H H 1 8.07 0.01 . 1 . . . . 27 HIS H . 19708 1 104 . 1 1 36 36 HIS C C 13 176.96 0.1 . 1 . . . . 27 HIS C . 19708 1 105 . 1 1 36 36 HIS CA C 13 58.78 0.1 . 1 . . . . 27 HIS CA . 19708 1 106 . 1 1 36 36 HIS N N 15 115.03 0.1 . 1 . . . . 27 HIS N . 19708 1 107 . 1 1 37 37 PHE H H 1 8.08 0.01 . 1 . . . . 28 PHE H . 19708 1 108 . 1 1 37 37 PHE C C 13 176.36 0.1 . 1 . . . . 28 PHE C . 19708 1 109 . 1 1 37 37 PHE CA C 13 60.32 0.1 . 1 . . . . 28 PHE CA . 19708 1 110 . 1 1 37 37 PHE N N 15 119.75 0.1 . 1 . . . . 28 PHE N . 19708 1 111 . 1 1 38 38 ALA H H 1 8.48 0.01 . 1 . . . . 29 ALA H . 19708 1 112 . 1 1 38 38 ALA C C 13 178.86 0.1 . 1 . . . . 29 ALA C . 19708 1 113 . 1 1 38 38 ALA CA C 13 55.48 0.1 . 1 . . . . 29 ALA CA . 19708 1 114 . 1 1 38 38 ALA N N 15 121.36 0.1 . 1 . . . . 29 ALA N . 19708 1 115 . 1 1 39 39 VAL H H 1 7.81 0.01 . 1 . . . . 30 VAL H . 19708 1 116 . 1 1 39 39 VAL C C 13 177.76 0.1 . 1 . . . . 30 VAL C . 19708 1 117 . 1 1 39 39 VAL CA C 13 66.2 0.1 . 1 . . . . 30 VAL CA . 19708 1 118 . 1 1 39 39 VAL N N 15 115.1 0.1 . 1 . . . . 30 VAL N . 19708 1 119 . 1 1 40 40 PHE H H 1 7.74 0.01 . 1 . . . . 31 PHE H . 19708 1 120 . 1 1 40 40 PHE C C 13 176.96 0.1 . 1 . . . . 31 PHE C . 19708 1 121 . 1 1 40 40 PHE CA C 13 60.46 0.1 . 1 . . . . 31 PHE CA . 19708 1 122 . 1 1 40 40 PHE N N 15 119.49 0.1 . 1 . . . . 31 PHE N . 19708 1 123 . 1 1 42 42 ILE H H 1 7.63 0.01 . 1 . . . . 33 ILE H . 19708 1 124 . 1 1 42 42 ILE C C 13 177.86 0.1 . 1 . . . . 33 ILE C . 19708 1 125 . 1 1 42 42 ILE CA C 13 64.91 0.1 . 1 . . . . 33 ILE CA . 19708 1 126 . 1 1 42 42 ILE N N 15 118.3 0.1 . 1 . . . . 33 ILE N . 19708 1 127 . 1 1 43 43 VAL H H 1 8.49 0.01 . 1 . . . . 34 VAL H . 19708 1 128 . 1 1 43 43 VAL C C 13 178.06 0.1 . 1 . . . . 34 VAL C . 19708 1 129 . 1 1 43 43 VAL CA C 13 64.21 0.1 . 1 . . . . 34 VAL CA . 19708 1 130 . 1 1 43 43 VAL N N 15 118.7 0.1 . 1 . . . . 34 VAL N . 19708 1 131 . 1 1 44 44 LEU H H 1 7.87 0.01 . 1 . . . . 35 LEU H . 19708 1 132 . 1 1 44 44 LEU C C 13 178.86 0.1 . 1 . . . . 35 LEU C . 19708 1 133 . 1 1 44 44 LEU CA C 13 57.15 0.1 . 1 . . . . 35 LEU CA . 19708 1 134 . 1 1 44 44 LEU N N 15 119.1 0.1 . 1 . . . . 35 LEU N . 19708 1 135 . 1 1 45 45 VAL H H 1 8.53 0.01 . 1 . . . . 36 VAL H . 19708 1 136 . 1 1 45 45 VAL C C 13 177.86 0.1 . 1 . . . . 36 VAL C . 19708 1 137 . 1 1 45 45 VAL CA C 13 67.02 0.1 . 1 . . . . 36 VAL CA . 19708 1 138 . 1 1 45 45 VAL N N 15 118.61 0.1 . 1 . . . . 36 VAL N . 19708 1 139 . 1 1 46 46 CYS H H 1 8.25 0.01 . 1 . . . . 37 CYS H . 19708 1 140 . 1 1 46 46 CYS C C 13 178.06 0.1 . 1 . . . . 37 CYS C . 19708 1 141 . 1 1 46 46 CYS CA C 13 64.01 0.1 . 1 . . . . 37 CYS CA . 19708 1 142 . 1 1 46 46 CYS N N 15 118.1 0.1 . 1 . . . . 37 CYS N . 19708 1 143 . 1 1 47 47 LEU H H 1 7.78 0.01 . 1 . . . . 38 LEU H . 19708 1 144 . 1 1 47 47 LEU C C 13 178.26 0.1 . 1 . . . . 38 LEU C . 19708 1 145 . 1 1 47 47 LEU CA C 13 57.74 0.1 . 1 . . . . 38 LEU CA . 19708 1 146 . 1 1 47 47 LEU N N 15 119.6 0.1 . 1 . . . . 38 LEU N . 19708 1 147 . 1 1 48 48 ILE H H 1 8.14 0.01 . 1 . . . . 39 ILE H . 19708 1 148 . 1 1 48 48 ILE C C 13 177.56 0.1 . 1 . . . . 39 ILE C . 19708 1 149 . 1 1 48 48 ILE CA C 13 65.15 0.1 . 1 . . . . 39 ILE CA . 19708 1 150 . 1 1 48 48 ILE N N 15 118.8 0.1 . 1 . . . . 39 ILE N . 19708 1 151 . 1 1 49 49 PHE H H 1 8.59 0.01 . 1 . . . . 40 PHE H . 19708 1 152 . 1 1 49 49 PHE C C 13 178.56 0.1 . 1 . . . . 40 PHE C . 19708 1 153 . 1 1 49 49 PHE CA C 13 61.52 0.1 . 1 . . . . 40 PHE CA . 19708 1 154 . 1 1 49 49 PHE N N 15 118.48 0.1 . 1 . . . . 40 PHE N . 19708 1 155 . 1 1 50 50 SER H H 1 8.22 0.01 . 1 . . . . 41 SER H . 19708 1 156 . 1 1 50 50 SER C C 13 178.06 0.1 . 1 . . . . 41 SER C . 19708 1 157 . 1 1 50 50 SER CA C 13 58.58 0.1 . 1 . . . . 41 SER CA . 19708 1 158 . 1 1 50 50 SER N N 15 117.68 0.1 . 1 . . . . 41 SER N . 19708 1 159 . 1 1 51 51 VAL H H 1 7.72 0.01 . 1 . . . . 42 VAL H . 19708 1 160 . 1 1 51 51 VAL C C 13 177.56 0.1 . 1 . . . . 42 VAL C . 19708 1 161 . 1 1 51 51 VAL CA C 13 64.17 0.1 . 1 . . . . 42 VAL CA . 19708 1 162 . 1 1 51 51 VAL N N 15 118.59 0.1 . 1 . . . . 42 VAL N . 19708 1 163 . 1 1 52 52 LEU H H 1 7.87 0.01 . 1 . . . . 43 LEU H . 19708 1 164 . 1 1 52 52 LEU C C 13 178.76 0.1 . 1 . . . . 43 LEU C . 19708 1 165 . 1 1 52 52 LEU CA C 13 58.26 0.1 . 1 . . . . 43 LEU CA . 19708 1 166 . 1 1 52 52 LEU N N 15 118.77 0.1 . 1 . . . . 43 LEU N . 19708 1 167 . 1 1 53 53 SER H H 1 8.43 0.01 . 1 . . . . 44 SER H . 19708 1 168 . 1 1 53 53 SER C C 13 178.66 0.1 . 1 . . . . 44 SER C . 19708 1 169 . 1 1 53 53 SER CA C 13 61.57 0.1 . 1 . . . . 44 SER CA . 19708 1 170 . 1 1 53 53 SER N N 15 113 0.1 . 1 . . . . 44 SER N . 19708 1 171 . 1 1 54 54 THR H H 1 7.77 0.01 . 1 . . . . 45 THR H . 19708 1 172 . 1 1 54 54 THR C C 13 176.36 0.1 . 1 . . . . 45 THR C . 19708 1 173 . 1 1 54 54 THR CA C 13 66.05 0.1 . 1 . . . . 45 THR CA . 19708 1 174 . 1 1 54 54 THR N N 15 118.85 0.1 . 1 . . . . 45 THR N . 19708 1 175 . 1 1 55 55 ILE H H 1 8.15 0.01 . 1 . . . . 46 ILE H . 19708 1 176 . 1 1 55 55 ILE C C 13 177.66 0.1 . 1 . . . . 46 ILE C . 19708 1 177 . 1 1 55 55 ILE CA C 13 64.85 0.1 . 1 . . . . 46 ILE CA . 19708 1 178 . 1 1 55 55 ILE N N 15 120.86 0.1 . 1 . . . . 46 ILE N . 19708 1 179 . 1 1 56 56 GLU H H 1 8.49 0.01 . 1 . . . . 47 GLU H . 19708 1 180 . 1 1 56 56 GLU C C 13 177.96 0.1 . 1 . . . . 47 GLU C . 19708 1 181 . 1 1 56 56 GLU CA C 13 59.16 0.1 . 1 . . . . 47 GLU CA . 19708 1 182 . 1 1 56 56 GLU N N 15 118.7 0.1 . 1 . . . . 47 GLU N . 19708 1 183 . 1 1 57 57 GLN H H 1 7.87 0.01 . 1 . . . . 48 GLN H . 19708 1 184 . 1 1 57 57 GLN C C 13 176.86 0.1 . 1 . . . . 48 GLN C . 19708 1 185 . 1 1 57 57 GLN CA C 13 57.16 0.1 . 1 . . . . 48 GLN CA . 19708 1 186 . 1 1 57 57 GLN N N 15 117.85 0.1 . 1 . . . . 48 GLN N . 19708 1 187 . 1 1 58 58 TYR H H 1 7.94 0.01 . 1 . . . . 49 TYR H . 19708 1 188 . 1 1 58 58 TYR C C 13 177.36 0.1 . 1 . . . . 49 TYR C . 19708 1 189 . 1 1 58 58 TYR CA C 13 60.05 0.1 . 1 . . . . 49 TYR CA . 19708 1 190 . 1 1 58 58 TYR N N 15 118.3 0.1 . 1 . . . . 49 TYR N . 19708 1 191 . 1 1 59 59 ALA H H 1 8.4 0.01 . 1 . . . . 50 ALA H . 19708 1 192 . 1 1 59 59 ALA C C 13 178.76 0.1 . 1 . . . . 50 ALA C . 19708 1 193 . 1 1 59 59 ALA CA C 13 53.43 0.1 . 1 . . . . 50 ALA CA . 19708 1 194 . 1 1 59 59 ALA N N 15 122.11 0.1 . 1 . . . . 50 ALA N . 19708 1 195 . 1 1 60 60 ALA H H 1 7.98 0.01 . 1 . . . . 51 ALA H . 19708 1 196 . 1 1 60 60 ALA C C 13 179.66 0.1 . 1 . . . . 51 ALA C . 19708 1 197 . 1 1 60 60 ALA CA C 13 53.86 0.1 . 1 . . . . 51 ALA CA . 19708 1 198 . 1 1 60 60 ALA N N 15 118.9 0.1 . 1 . . . . 51 ALA N . 19708 1 199 . 1 1 61 61 LEU H H 1 7.77 0.01 . 1 . . . . 52 LEU H . 19708 1 200 . 1 1 61 61 LEU C C 13 178.56 0.1 . 1 . . . . 52 LEU C . 19708 1 201 . 1 1 61 61 LEU CA C 13 56.16 0.1 . 1 . . . . 52 LEU CA . 19708 1 202 . 1 1 61 61 LEU N N 15 118.4 0.1 . 1 . . . . 52 LEU N . 19708 1 203 . 1 1 62 62 ALA H H 1 7.98 0.01 . 1 . . . . 53 ALA H . 19708 1 204 . 1 1 62 62 ALA C C 13 178.46 0.1 . 1 . . . . 53 ALA C . 19708 1 205 . 1 1 62 62 ALA CA C 13 53.22 0.1 . 1 . . . . 53 ALA CA . 19708 1 206 . 1 1 62 62 ALA N N 15 121 0.1 . 1 . . . . 53 ALA N . 19708 1 207 . 1 1 63 63 THR H H 1 7.58 0.01 . 1 . . . . 54 THR H . 19708 1 208 . 1 1 63 63 THR C C 13 175.56 0.1 . 1 . . . . 54 THR C . 19708 1 209 . 1 1 63 63 THR CA C 13 62.86 0.1 . 1 . . . . 54 THR CA . 19708 1 210 . 1 1 63 63 THR N N 15 109.5 0.1 . 1 . . . . 54 THR N . 19708 1 211 . 1 1 64 64 GLY H H 1 7.99 0.01 . 1 . . . . 55 GLY H . 19708 1 212 . 1 1 64 64 GLY C C 13 174.96 0.1 . 1 . . . . 55 GLY C . 19708 1 213 . 1 1 64 64 GLY CA C 13 45.56 0.1 . 1 . . . . 55 GLY CA . 19708 1 214 . 1 1 64 64 GLY N N 15 110.1 0.1 . 1 . . . . 55 GLY N . 19708 1 215 . 1 1 65 65 THR H H 1 7.99 0.01 . 1 . . . . 56 THR H . 19708 1 216 . 1 1 65 65 THR C C 13 174.56 0.1 . 1 . . . . 56 THR C . 19708 1 217 . 1 1 65 65 THR CA C 13 63.02 0.1 . 1 . . . . 56 THR CA . 19708 1 218 . 1 1 65 65 THR N N 15 113.26 0.1 . 1 . . . . 56 THR N . 19708 1 219 . 1 1 66 66 LEU H H 1 8.39 0.01 . 1 . . . . 57 LEU H . 19708 1 220 . 1 1 66 66 LEU C C 13 178.46 0.1 . 1 . . . . 57 LEU C . 19708 1 221 . 1 1 66 66 LEU CA C 13 56.81 0.1 . 1 . . . . 57 LEU CA . 19708 1 222 . 1 1 66 66 LEU N N 15 122.84 0.1 . 1 . . . . 57 LEU N . 19708 1 223 . 1 1 67 67 PHE H H 1 8.02 0.01 . 1 . . . . 58 PHE H . 19708 1 224 . 1 1 67 67 PHE C C 13 176.86 0.1 . 1 . . . . 58 PHE C . 19708 1 225 . 1 1 67 67 PHE CA C 13 60.11 0.1 . 1 . . . . 58 PHE CA . 19708 1 226 . 1 1 67 67 PHE N N 15 119 0.1 . 1 . . . . 58 PHE N . 19708 1 227 . 1 1 68 68 TRP H H 1 7.68 0.01 . 1 . . . . 59 TRP H . 19708 1 228 . 1 1 68 68 TRP C C 13 177.66 0.1 . 1 . . . . 59 TRP C . 19708 1 229 . 1 1 68 68 TRP CA C 13 59.43 0.1 . 1 . . . . 59 TRP CA . 19708 1 230 . 1 1 68 68 TRP N N 15 118.5 0.1 . 1 . . . . 59 TRP N . 19708 1 231 . 1 1 69 69 MET H H 1 7.88 0.01 . 1 . . . . 60 MET H . 19708 1 232 . 1 1 69 69 MET C C 13 177.56 0.1 . 1 . . . . 60 MET C . 19708 1 233 . 1 1 69 69 MET CA C 13 57.9 0.1 . 1 . . . . 60 MET CA . 19708 1 234 . 1 1 69 69 MET N N 15 117.1 0.1 . 1 . . . . 60 MET N . 19708 1 235 . 1 1 70 70 GLU H H 1 8.347 0.01 . 1 . . . . 61 GLU H . 19708 1 236 . 1 1 70 70 GLU C C 13 175.9 0.1 . 1 . . . . 61 GLU C . 19708 1 237 . 1 1 70 70 GLU CA C 13 66.94 0.1 . 1 . . . . 61 GLU CA . 19708 1 238 . 1 1 70 70 GLU N N 15 120.434 0.1 . 1 . . . . 61 GLU N . 19708 1 239 . 1 1 72 72 VAL H H 1 8.382 0.01 . 1 . . . . 63 VAL H . 19708 1 240 . 1 1 72 72 VAL C C 13 174.8 0.1 . 1 . . . . 63 VAL C . 19708 1 241 . 1 1 72 72 VAL CA C 13 62.59 0.1 . 1 . . . . 63 VAL CA . 19708 1 242 . 1 1 72 72 VAL N N 15 118.38 0.1 . 1 . . . . 63 VAL N . 19708 1 243 . 1 1 73 73 LEU H H 1 8.24 0.01 . 1 . . . . 64 LEU H . 19708 1 244 . 1 1 73 73 LEU C C 13 178.76 0.1 . 1 . . . . 64 LEU C . 19708 1 245 . 1 1 73 73 LEU CA C 13 54.61 0.1 . 1 . . . . 64 LEU CA . 19708 1 246 . 1 1 73 73 LEU N N 15 121.3 0.1 . 1 . . . . 64 LEU N . 19708 1 247 . 1 1 74 74 VAL H H 1 8.15 0.01 . 1 . . . . 65 VAL H . 19708 1 248 . 1 1 74 74 VAL C C 13 179.16 0.1 . 1 . . . . 65 VAL C . 19708 1 249 . 1 1 74 74 VAL CA C 13 66.98 0.1 . 1 . . . . 65 VAL CA . 19708 1 250 . 1 1 74 74 VAL N N 15 122.05 0.1 . 1 . . . . 65 VAL N . 19708 1 251 . 1 1 75 75 VAL H H 1 8.13 0.01 . 1 . . . . 66 VAL H . 19708 1 252 . 1 1 75 75 VAL C C 13 179.06 0.1 . 1 . . . . 66 VAL C . 19708 1 253 . 1 1 75 75 VAL CA C 13 66.63 0.1 . 1 . . . . 66 VAL CA . 19708 1 254 . 1 1 75 75 VAL N N 15 121.8 0.1 . 1 . . . . 66 VAL N . 19708 1 255 . 1 1 76 76 PHE H H 1 8.84 0.01 . 1 . . . . 67 PHE H . 19708 1 256 . 1 1 76 76 PHE C C 13 177.66 0.1 . 1 . . . . 67 PHE C . 19708 1 257 . 1 1 76 76 PHE CA C 13 61.22 0.1 . 1 . . . . 67 PHE CA . 19708 1 258 . 1 1 76 76 PHE N N 15 122.5 0.1 . 1 . . . . 67 PHE N . 19708 1 259 . 1 1 77 77 PHE H H 1 8.76 0.01 . 1 . . . . 68 PHE H . 19708 1 260 . 1 1 77 77 PHE C C 13 179.06 0.1 . 1 . . . . 68 PHE C . 19708 1 261 . 1 1 77 77 PHE CA C 13 60.77 0.1 . 1 . . . . 68 PHE CA . 19708 1 262 . 1 1 77 77 PHE N N 15 119.4 0.1 . 1 . . . . 68 PHE N . 19708 1 263 . 1 1 78 78 GLY H H 1 8.42 0.01 . 1 . . . . 69 GLY H . 19708 1 264 . 1 1 78 78 GLY C C 13 174.96 0.1 . 1 . . . . 69 GLY C . 19708 1 265 . 1 1 78 78 GLY CA C 13 46.25 0.1 . 1 . . . . 69 GLY CA . 19708 1 266 . 1 1 78 78 GLY N N 15 107.9 0.1 . 1 . . . . 69 GLY N . 19708 1 267 . 1 1 79 79 THR H H 1 8.42 0.01 . 1 . . . . 70 THR H . 19708 1 268 . 1 1 79 79 THR C C 13 176.36 0.1 . 1 . . . . 70 THR C . 19708 1 269 . 1 1 79 79 THR CA C 13 67.06 0.1 . 1 . . . . 70 THR CA . 19708 1 270 . 1 1 79 79 THR N N 15 117.2 0.1 . 1 . . . . 70 THR N . 19708 1 271 . 1 1 80 80 GLU H H 1 8.08 0.01 . 1 . . . . 71 GLU H . 19708 1 272 . 1 1 80 80 GLU C C 13 178.26 0.1 . 1 . . . . 71 GLU C . 19708 1 273 . 1 1 80 80 GLU CA C 13 60.33 0.1 . 1 . . . . 71 GLU CA . 19708 1 274 . 1 1 80 80 GLU N N 15 119.8 0.1 . 1 . . . . 71 GLU N . 19708 1 275 . 1 1 81 81 TYR H H 1 8.04 0.01 . 1 . . . . 72 TYR H . 19708 1 276 . 1 1 81 81 TYR C C 13 177.96 0.1 . 1 . . . . 72 TYR C . 19708 1 277 . 1 1 81 81 TYR CA C 13 61.53 0.1 . 1 . . . . 72 TYR CA . 19708 1 278 . 1 1 81 81 TYR N N 15 119.3 0.1 . 1 . . . . 72 TYR N . 19708 1 279 . 1 1 82 82 VAL H H 1 8.1 0.01 . 1 . . . . 73 VAL H . 19708 1 280 . 1 1 82 82 VAL C C 13 177.76 0.1 . 1 . . . . 73 VAL C . 19708 1 281 . 1 1 82 82 VAL CA C 13 66.41 0.1 . 1 . . . . 73 VAL CA . 19708 1 282 . 1 1 82 82 VAL N N 15 118.2 0.1 . 1 . . . . 73 VAL N . 19708 1 283 . 1 1 83 83 VAL H H 1 8.26 0.01 . 1 . . . . 74 VAL H . 19708 1 284 . 1 1 83 83 VAL C C 13 178.96 0.1 . 1 . . . . 74 VAL C . 19708 1 285 . 1 1 83 83 VAL CA C 13 66.49 0.1 . 1 . . . . 74 VAL CA . 19708 1 286 . 1 1 83 83 VAL N N 15 119.2 0.1 . 1 . . . . 74 VAL N . 19708 1 287 . 1 1 84 84 ARG H H 1 8.02 0.01 . 1 . . . . 75 ARG H . 19708 1 288 . 1 1 84 84 ARG C C 13 175.56 0.1 . 1 . . . . 75 ARG C . 19708 1 289 . 1 1 84 84 ARG CA C 13 59.18 0.1 . 1 . . . . 75 ARG CA . 19708 1 290 . 1 1 84 84 ARG N N 15 120.7 0.1 . 1 . . . . 75 ARG N . 19708 1 291 . 1 1 85 85 LEU H H 1 8.06 0.01 . 1 . . . . 76 LEU H . 19708 1 292 . 1 1 85 85 LEU C C 13 179.06 0.1 . 1 . . . . 76 LEU C . 19708 1 293 . 1 1 85 85 LEU CA C 13 57.53 0.1 . 1 . . . . 76 LEU CA . 19708 1 294 . 1 1 85 85 LEU N N 15 120.9 0.1 . 1 . . . . 76 LEU N . 19708 1 295 . 1 1 86 86 TRP H H 1 8.57 0.01 . 1 . . . . 77 TRP H . 19708 1 296 . 1 1 86 86 TRP C C 13 178.06 0.1 . 1 . . . . 77 TRP C . 19708 1 297 . 1 1 86 86 TRP CA C 13 59.54 0.1 . 1 . . . . 77 TRP CA . 19708 1 298 . 1 1 86 86 TRP N N 15 120.1 0.1 . 1 . . . . 77 TRP N . 19708 1 299 . 1 1 87 87 SER H H 1 8.39 0.01 . 1 . . . . 78 SER H . 19708 1 300 . 1 1 87 87 SER C C 13 175.86 0.1 . 1 . . . . 78 SER C . 19708 1 301 . 1 1 87 87 SER CA C 13 60.62 0.1 . 1 . . . . 78 SER CA . 19708 1 302 . 1 1 87 87 SER N N 15 114.4 0.1 . 1 . . . . 78 SER N . 19708 1 303 . 1 1 88 88 ALA H H 1 8.03 0.01 . 1 . . . . 79 ALA H . 19708 1 304 . 1 1 88 88 ALA C C 13 179.86 0.1 . 1 . . . . 79 ALA C . 19708 1 305 . 1 1 88 88 ALA CA C 13 53.79 0.1 . 1 . . . . 79 ALA CA . 19708 1 306 . 1 1 88 88 ALA N N 15 123.6 0.1 . 1 . . . . 79 ALA N . 19708 1 307 . 1 1 89 89 GLY H H 1 8.08 0.01 . 1 . . . . 80 GLY H . 19708 1 308 . 1 1 89 89 GLY C C 13 175.36 0.1 . 1 . . . . 80 GLY C . 19708 1 309 . 1 1 89 89 GLY CA C 13 46.24 0.1 . 1 . . . . 80 GLY CA . 19708 1 310 . 1 1 89 89 GLY N N 15 106.6 0.1 . 1 . . . . 80 GLY N . 19708 1 311 . 1 1 90 90 CYS H H 1 8.08 0.01 . 1 . . . . 81 CYS H . 19708 1 312 . 1 1 90 90 CYS C C 13 176.86 0.1 . 1 . . . . 81 CYS C . 19708 1 313 . 1 1 90 90 CYS CA C 13 60.71 0.1 . 1 . . . . 81 CYS CA . 19708 1 314 . 1 1 90 90 CYS N N 15 118.9 0.1 . 1 . . . . 81 CYS N . 19708 1 315 . 1 1 91 91 ARG H H 1 7.94 0.01 . 1 . . . . 82 ARG H . 19708 1 316 . 1 1 91 91 ARG C C 13 176.96 0.1 . 1 . . . . 82 ARG C . 19708 1 317 . 1 1 91 91 ARG CA C 13 57.39 0.1 . 1 . . . . 82 ARG CA . 19708 1 318 . 1 1 91 91 ARG N N 15 120 0.1 . 1 . . . . 82 ARG N . 19708 1 319 . 1 1 92 92 SER H H 1 7.9 0.01 . 1 . . . . 83 SER H . 19708 1 320 . 1 1 92 92 SER C C 13 176.16 0.1 . 1 . . . . 83 SER C . 19708 1 321 . 1 1 92 92 SER CA C 13 59.62 0.1 . 1 . . . . 83 SER CA . 19708 1 322 . 1 1 92 92 SER N N 15 114 0.1 . 1 . . . . 83 SER N . 19708 1 323 . 1 1 93 93 LYS H H 1 8.12 0.01 . 1 . . . . 84 LYS H . 19708 1 324 . 1 1 93 93 LYS C C 13 177.76 0.1 . 1 . . . . 84 LYS C . 19708 1 325 . 1 1 93 93 LYS CA C 13 57.66 0.1 . 1 . . . . 84 LYS CA . 19708 1 326 . 1 1 93 93 LYS N N 15 121.8 0.1 . 1 . . . . 84 LYS N . 19708 1 327 . 1 1 94 94 TYR H H 1 7.77 0.01 . 1 . . . . 85 TYR H . 19708 1 328 . 1 1 94 94 TYR C C 13 176.66 0.1 . 1 . . . . 85 TYR C . 19708 1 329 . 1 1 94 94 TYR CA C 13 59.1 0.1 . 1 . . . . 85 TYR CA . 19708 1 330 . 1 1 94 94 TYR N N 15 117.5 0.1 . 1 . . . . 85 TYR N . 19708 1 331 . 1 1 95 95 VAL H H 1 7.63 0.01 . 1 . . . . 86 VAL H . 19708 1 332 . 1 1 95 95 VAL C C 13 177.76 0.1 . 1 . . . . 86 VAL C . 19708 1 333 . 1 1 95 95 VAL CA C 13 64.91 0.1 . 1 . . . . 86 VAL CA . 19708 1 334 . 1 1 95 95 VAL N N 15 118.3 0.1 . 1 . . . . 86 VAL N . 19708 1 335 . 1 1 96 96 GLY H H 1 7.86 0.01 . 1 . . . . 87 GLY H . 19708 1 336 . 1 1 96 96 GLY C C 13 176.06 0.1 . 1 . . . . 87 GLY C . 19708 1 337 . 1 1 96 96 GLY CA C 13 46.1 0.1 . 1 . . . . 87 GLY CA . 19708 1 338 . 1 1 96 96 GLY N N 15 108.9 0.1 . 1 . . . . 87 GLY N . 19708 1 339 . 1 1 97 97 LEU H H 1 7.86 0.01 . 1 . . . . 88 LEU H . 19708 1 340 . 1 1 97 97 LEU C C 13 178.16 0.1 . 1 . . . . 88 LEU C . 19708 1 341 . 1 1 97 97 LEU CA C 13 57.19 0.1 . 1 . . . . 88 LEU CA . 19708 1 342 . 1 1 97 97 LEU N N 15 121.8 0.1 . 1 . . . . 88 LEU N . 19708 1 343 . 1 1 98 98 TRP H H 1 7.93 0.01 . 1 . . . . 89 TRP H . 19708 1 344 . 1 1 98 98 TRP C C 13 177.96 0.1 . 1 . . . . 89 TRP C . 19708 1 345 . 1 1 98 98 TRP CA C 13 59.19 0.1 . 1 . . . . 89 TRP CA . 19708 1 346 . 1 1 98 98 TRP N N 15 118.4 0.1 . 1 . . . . 89 TRP N . 19708 1 347 . 1 1 99 99 GLY H H 1 7.76 0.01 . 1 . . . . 90 GLY H . 19708 1 348 . 1 1 99 99 GLY C C 13 175.46 0.1 . 1 . . . . 90 GLY C . 19708 1 349 . 1 1 99 99 GLY CA C 13 46.27 0.1 . 1 . . . . 90 GLY CA . 19708 1 350 . 1 1 99 99 GLY N N 15 105.2 0.1 . 1 . . . . 90 GLY N . 19708 1 351 . 1 1 100 100 ARG H H 1 7.76 0.01 . 1 . . . . 91 ARG H . 19708 1 352 . 1 1 100 100 ARG C C 13 177.16 0.1 . 1 . . . . 91 ARG C . 19708 1 353 . 1 1 100 100 ARG CA C 13 56.6 0.1 . 1 . . . . 91 ARG CA . 19708 1 354 . 1 1 100 100 ARG N N 15 118.9 0.1 . 1 . . . . 91 ARG N . 19708 1 355 . 1 1 101 101 LEU H H 1 7.67 0.01 . 1 . . . . 92 LEU H . 19708 1 356 . 1 1 101 101 LEU C C 13 176.86 0.1 . 1 . . . . 92 LEU C . 19708 1 357 . 1 1 101 101 LEU CA C 13 55.37 0.1 . 1 . . . . 92 LEU CA . 19708 1 358 . 1 1 101 101 LEU N N 15 119.4 0.1 . 1 . . . . 92 LEU N . 19708 1 359 . 1 1 102 102 ARG H H 1 7.73 0.01 . 1 . . . . 93 ARG H . 19708 1 360 . 1 1 102 102 ARG C C 13 176.26 0.1 . 1 . . . . 93 ARG C . 19708 1 361 . 1 1 102 102 ARG CA C 13 56.6 0.1 . 1 . . . . 93 ARG CA . 19708 1 362 . 1 1 102 102 ARG N N 15 119 0.1 . 1 . . . . 93 ARG N . 19708 1 363 . 1 1 103 103 PHE H H 1 7.74 0.01 . 1 . . . . 94 PHE H . 19708 1 364 . 1 1 103 103 PHE C C 13 175.36 0.1 . 1 . . . . 94 PHE C . 19708 1 365 . 1 1 103 103 PHE CA C 13 57.39 0.1 . 1 . . . . 94 PHE CA . 19708 1 366 . 1 1 103 103 PHE N N 15 118.4 0.1 . 1 . . . . 94 PHE N . 19708 1 367 . 1 1 104 104 ALA H H 1 7.84 0.01 . 1 . . . . 95 ALA H . 19708 1 368 . 1 1 104 104 ALA C C 13 176.76 0.1 . 1 . . . . 95 ALA C . 19708 1 369 . 1 1 104 104 ALA CA C 13 52.29 0.1 . 1 . . . . 95 ALA CA . 19708 1 370 . 1 1 104 104 ALA N N 15 123.8 0.1 . 1 . . . . 95 ALA N . 19708 1 371 . 1 1 105 105 ARG H H 1 7.95 0.01 . 1 . . . . 96 ARG H . 19708 1 372 . 1 1 105 105 ARG C C 13 175.76 0.1 . 1 . . . . 96 ARG C . 19708 1 373 . 1 1 105 105 ARG CA C 13 55.78 0.1 . 1 . . . . 96 ARG CA . 19708 1 374 . 1 1 105 105 ARG N N 15 118.2 0.1 . 1 . . . . 96 ARG N . 19708 1 375 . 1 1 106 106 LYS H H 1 8.1 0.01 . 1 . . . . 97 LYS H . 19708 1 376 . 1 1 106 106 LYS C C 13 176.56 0.1 . 1 . . . . 97 LYS C . 19708 1 377 . 1 1 106 106 LYS CA C 13 54.22 0.1 . 1 . . . . 97 LYS CA . 19708 1 378 . 1 1 106 106 LYS N N 15 121.41 0.1 . 1 . . . . 97 LYS N . 19708 1 379 . 1 1 107 107 PRO C C 13 177.36 0.1 . 1 . . . . 98 PRO C . 19708 1 380 . 1 1 107 107 PRO CA C 13 63.61 0.1 . 1 . . . . 98 PRO CA . 19708 1 381 . 1 1 108 108 ILE H H 1 8 0.01 . 1 . . . . 99 ILE H . 19708 1 382 . 1 1 108 108 ILE C C 13 177.16 0.1 . 1 . . . . 99 ILE C . 19708 1 383 . 1 1 108 108 ILE CA C 13 63.93 0.1 . 1 . . . . 99 ILE CA . 19708 1 384 . 1 1 108 108 ILE N N 15 120 0.1 . 1 . . . . 99 ILE N . 19708 1 385 . 1 1 109 109 SER H H 1 8.309 0.01 . 1 . . . . 100 SER H . 19708 1 386 . 1 1 109 109 SER C C 13 176.8 0.1 . 1 . . . . 100 SER C . 19708 1 387 . 1 1 109 109 SER CA C 13 61.92 0.1 . 1 . . . . 100 SER CA . 19708 1 388 . 1 1 109 109 SER N N 15 112.68 0.1 . 1 . . . . 100 SER N . 19708 1 389 . 1 1 113 113 LEU H H 1 7.97 0.01 . 1 . . . . 104 LEU H . 19708 1 390 . 1 1 113 113 LEU C C 13 179.06 0.1 . 1 . . . . 104 LEU C . 19708 1 391 . 1 1 113 113 LEU CA C 13 58.58 0.1 . 1 . . . . 104 LEU CA . 19708 1 392 . 1 1 113 113 LEU N N 15 117.7 0.1 . 1 . . . . 104 LEU N . 19708 1 393 . 1 1 114 114 ILE H H 1 8.53 0.01 . 1 . . . . 105 ILE H . 19708 1 394 . 1 1 114 114 ILE C C 13 177.96 0.1 . 1 . . . . 105 ILE C . 19708 1 395 . 1 1 114 114 ILE CA C 13 65.09 0.1 . 1 . . . . 105 ILE CA . 19708 1 396 . 1 1 114 114 ILE N N 15 120.1 0.1 . 1 . . . . 105 ILE N . 19708 1 397 . 1 1 115 115 VAL H H 1 7.87 0.01 . 1 . . . . 106 VAL H . 19708 1 398 . 1 1 115 115 VAL C C 13 178.96 0.1 . 1 . . . . 106 VAL C . 19708 1 399 . 1 1 115 115 VAL CA C 13 66.73 0.1 . 1 . . . . 106 VAL CA . 19708 1 400 . 1 1 115 115 VAL N N 15 119.04 0.1 . 1 . . . . 106 VAL N . 19708 1 401 . 1 1 116 116 VAL H H 1 8.33 0.01 . 1 . . . . 107 VAL H . 19708 1 402 . 1 1 116 116 VAL C C 13 179.06 0.1 . 1 . . . . 107 VAL C . 19708 1 403 . 1 1 116 116 VAL CA C 13 66.6 0.1 . 1 . . . . 107 VAL CA . 19708 1 404 . 1 1 116 116 VAL N N 15 120.1 0.1 . 1 . . . . 107 VAL N . 19708 1 405 . 1 1 117 117 VAL H H 1 8.44 0.01 . 1 . . . . 108 VAL H . 19708 1 406 . 1 1 117 117 VAL C C 13 177.96 0.1 . 1 . . . . 108 VAL C . 19708 1 407 . 1 1 117 117 VAL CA C 13 66.71 0.1 . 1 . . . . 108 VAL CA . 19708 1 408 . 1 1 117 117 VAL N N 15 120.6 0.1 . 1 . . . . 108 VAL N . 19708 1 409 . 1 1 118 118 ALA H H 1 8.99 0.01 . 1 . . . . 109 ALA H . 19708 1 410 . 1 1 118 118 ALA C C 13 179.46 0.1 . 1 . . . . 109 ALA C . 19708 1 411 . 1 1 118 118 ALA CA C 13 55.56 0.1 . 1 . . . . 109 ALA CA . 19708 1 412 . 1 1 118 118 ALA N N 15 121.7 0.1 . 1 . . . . 109 ALA N . 19708 1 413 . 1 1 119 119 SER H H 1 8.29 0.01 . 1 . . . . 110 SER H . 19708 1 414 . 1 1 119 119 SER C C 13 176.66 0.1 . 1 . . . . 110 SER C . 19708 1 415 . 1 1 119 119 SER CA C 13 61.96 0.1 . 1 . . . . 110 SER CA . 19708 1 416 . 1 1 119 119 SER N N 15 112.4 0.1 . 1 . . . . 110 SER N . 19708 1 417 . 1 1 120 120 MET H H 1 8.04 0.01 . 1 . . . . 111 MET H . 19708 1 418 . 1 1 120 120 MET C C 13 178.76 0.1 . 1 . . . . 111 MET C . 19708 1 419 . 1 1 120 120 MET CA C 13 58.39 0.1 . 1 . . . . 111 MET CA . 19708 1 420 . 1 1 120 120 MET N N 15 120.4 0.1 . 1 . . . . 111 MET N . 19708 1 421 . 1 1 121 121 VAL H H 1 8.39 0.01 . 1 . . . . 112 VAL H . 19708 1 422 . 1 1 121 121 VAL C C 13 177.86 0.1 . 1 . . . . 112 VAL C . 19708 1 423 . 1 1 121 121 VAL CA C 13 67.01 0.1 . 1 . . . . 112 VAL CA . 19708 1 424 . 1 1 121 121 VAL N N 15 120.1 0.1 . 1 . . . . 112 VAL N . 19708 1 425 . 1 1 122 122 VAL H H 1 8.2 0.01 . 1 . . . . 113 VAL H . 19708 1 426 . 1 1 122 122 VAL C C 13 178.56 0.1 . 1 . . . . 113 VAL C . 19708 1 427 . 1 1 122 122 VAL CA C 13 66.69 0.1 . 1 . . . . 113 VAL CA . 19708 1 428 . 1 1 122 122 VAL N N 15 118.7 0.1 . 1 . . . . 113 VAL N . 19708 1 429 . 1 1 123 123 LEU H H 1 7.95 0.01 . 1 . . . . 114 LEU H . 19708 1 430 . 1 1 123 123 LEU C C 13 179.56 0.1 . 1 . . . . 114 LEU C . 19708 1 431 . 1 1 123 123 LEU CA C 13 57.47 0.1 . 1 . . . . 114 LEU CA . 19708 1 432 . 1 1 123 123 LEU N N 15 120.4 0.1 . 1 . . . . 114 LEU N . 19708 1 433 . 1 1 124 124 CYS H H 1 8.16 0.01 . 1 . . . . 115 CYS H . 19708 1 434 . 1 1 124 124 CYS C C 13 176.56 0.1 . 1 . . . . 115 CYS C . 19708 1 435 . 1 1 124 124 CYS CA C 13 62.46 0.1 . 1 . . . . 115 CYS CA . 19708 1 436 . 1 1 124 124 CYS N N 15 117.5 0.1 . 1 . . . . 115 CYS N . 19708 1 437 . 1 1 125 125 VAL H H 1 8.36 0.01 . 1 . . . . 116 VAL H . 19708 1 438 . 1 1 125 125 VAL C C 13 177.66 0.1 . 1 . . . . 116 VAL C . 19708 1 439 . 1 1 125 125 VAL CA C 13 64.63 0.1 . 1 . . . . 116 VAL CA . 19708 1 440 . 1 1 125 125 VAL N N 15 116.8 0.1 . 1 . . . . 116 VAL N . 19708 1 441 . 1 1 126 126 GLY H H 1 8.24 0.01 . 1 . . . . 117 GLY H . 19708 1 442 . 1 1 126 126 GLY C C 13 175.36 0.1 . 1 . . . . 117 GLY C . 19708 1 443 . 1 1 126 126 GLY CA C 13 46.38 0.1 . 1 . . . . 117 GLY CA . 19708 1 444 . 1 1 126 126 GLY N N 15 107.8 0.1 . 1 . . . . 117 GLY N . 19708 1 445 . 1 1 127 127 SER H H 1 8.24 0.01 . 1 . . . . 118 SER H . 19708 1 446 . 1 1 127 127 SER C C 13 178.56 0.1 . 1 . . . . 118 SER C . 19708 1 447 . 1 1 127 127 SER CA C 13 59.76 0.1 . 1 . . . . 118 SER CA . 19708 1 448 . 1 1 127 127 SER N N 15 116 0.1 . 1 . . . . 118 SER N . 19708 1 449 . 1 1 128 128 LYS H H 1 8.28 0.01 . 1 . . . . 119 LYS H . 19708 1 450 . 1 1 128 128 LYS C C 13 177.66 0.1 . 1 . . . . 119 LYS C . 19708 1 451 . 1 1 128 128 LYS CA C 13 56.99 0.1 . 1 . . . . 119 LYS CA . 19708 1 452 . 1 1 128 128 LYS N N 15 121.05 0.1 . 1 . . . . 119 LYS N . 19708 1 453 . 1 1 129 129 GLY H H 1 8.25 0.01 . 1 . . . . 120 GLY H . 19708 1 454 . 1 1 129 129 GLY C C 13 175.06 0.1 . 1 . . . . 120 GLY C . 19708 1 455 . 1 1 129 129 GLY CA C 13 46.81 0.1 . 1 . . . . 120 GLY CA . 19708 1 456 . 1 1 129 129 GLY N N 15 107.08 0.1 . 1 . . . . 120 GLY N . 19708 1 457 . 1 1 130 130 GLN H H 1 8.25 0.01 . 1 . . . . 121 GLN H . 19708 1 458 . 1 1 130 130 GLN C C 13 177.96 0.1 . 1 . . . . 121 GLN C . 19708 1 459 . 1 1 130 130 GLN CA C 13 58.5 0.1 . 1 . . . . 121 GLN CA . 19708 1 460 . 1 1 130 130 GLN N N 15 120.1 0.1 . 1 . . . . 121 GLN N . 19708 1 461 . 1 1 131 131 VAL H H 1 7.9 0.01 . 1 . . . . 122 VAL H . 19708 1 462 . 1 1 131 131 VAL C C 13 177.76 0.1 . 1 . . . . 122 VAL C . 19708 1 463 . 1 1 131 131 VAL CA C 13 64.69 0.1 . 1 . . . . 122 VAL CA . 19708 1 464 . 1 1 131 131 VAL N N 15 119.1 0.1 . 1 . . . . 122 VAL N . 19708 1 465 . 1 1 132 132 PHE H H 1 7.98 0.01 . 1 . . . . 123 PHE H . 19708 1 466 . 1 1 132 132 PHE C C 13 176.46 0.1 . 1 . . . . 123 PHE C . 19708 1 467 . 1 1 132 132 PHE CA C 13 59.57 0.1 . 1 . . . . 123 PHE CA . 19708 1 468 . 1 1 132 132 PHE N N 15 120.3 0.1 . 1 . . . . 123 PHE N . 19708 1 469 . 1 1 133 133 ALA H H 1 8.25 0.01 . 1 . . . . 124 ALA H . 19708 1 470 . 1 1 133 133 ALA C C 13 176.56 0.1 . 1 . . . . 124 ALA C . 19708 1 471 . 1 1 133 133 ALA CA C 13 54.55 0.1 . 1 . . . . 124 ALA CA . 19708 1 472 . 1 1 133 133 ALA N N 15 121.4 0.1 . 1 . . . . 124 ALA N . 19708 1 473 . 1 1 134 134 THR H H 1 8.19 0.01 . 1 . . . . 125 THR H . 19708 1 474 . 1 1 134 134 THR C C 13 176.86 0.1 . 1 . . . . 125 THR C . 19708 1 475 . 1 1 134 134 THR CA C 13 64.96 0.1 . 1 . . . . 125 THR CA . 19708 1 476 . 1 1 134 134 THR N N 15 110.9 0.1 . 1 . . . . 125 THR N . 19708 1 477 . 1 1 135 135 SER H H 1 8.03 0.01 . 1 . . . . 126 SER H . 19708 1 478 . 1 1 135 135 SER C C 13 176.56 0.1 . 1 . . . . 126 SER C . 19708 1 479 . 1 1 135 135 SER CA C 13 61.39 0.1 . 1 . . . . 126 SER CA . 19708 1 480 . 1 1 135 135 SER N N 15 117.7 0.1 . 1 . . . . 126 SER N . 19708 1 481 . 1 1 136 136 ALA H H 1 8.2 0.01 . 1 . . . . 127 ALA H . 19708 1 482 . 1 1 136 136 ALA C C 13 178.76 0.1 . 1 . . . . 127 ALA C . 19708 1 483 . 1 1 136 136 ALA CA C 13 54.47 0.1 . 1 . . . . 127 ALA CA . 19708 1 484 . 1 1 136 136 ALA N N 15 124.01 0.1 . 1 . . . . 127 ALA N . 19708 1 485 . 1 1 137 137 ILE H H 1 8.11 0.01 . 1 . . . . 128 ILE H . 19708 1 486 . 1 1 137 137 ILE C C 13 176.16 0.1 . 1 . . . . 128 ILE C . 19708 1 487 . 1 1 137 137 ILE CA C 13 63.1 0.1 . 1 . . . . 128 ILE CA . 19708 1 488 . 1 1 137 137 ILE N N 15 118.9 0.1 . 1 . . . . 128 ILE N . 19708 1 489 . 1 1 138 138 ARG H H 1 7.86 0.01 . 1 . . . . 129 ARG H . 19708 1 490 . 1 1 138 138 ARG C C 13 178.26 0.1 . 1 . . . . 129 ARG C . 19708 1 491 . 1 1 138 138 ARG CA C 13 58.18 0.1 . 1 . . . . 129 ARG CA . 19708 1 492 . 1 1 138 138 ARG N N 15 119.7 0.1 . 1 . . . . 129 ARG N . 19708 1 493 . 1 1 139 139 GLY H H 1 7.97 0.01 . 1 . . . . 130 GLY H . 19708 1 494 . 1 1 139 139 GLY C C 13 174.56 0.1 . 1 . . . . 130 GLY C . 19708 1 495 . 1 1 139 139 GLY CA C 13 46.18 0.1 . 1 . . . . 130 GLY CA . 19708 1 496 . 1 1 139 139 GLY N N 15 106.9 0.1 . 1 . . . . 130 GLY N . 19708 1 497 . 1 1 140 140 ILE H H 1 7.97 0.01 . 1 . . . . 131 ILE H . 19708 1 498 . 1 1 140 140 ILE C C 13 175.56 0.1 . 1 . . . . 131 ILE C . 19708 1 499 . 1 1 140 140 ILE CA C 13 62.85 0.1 . 1 . . . . 131 ILE CA . 19708 1 500 . 1 1 140 140 ILE N N 15 120.6 0.1 . 1 . . . . 131 ILE N . 19708 1 501 . 1 1 141 141 ARG H H 1 8.18 0.01 . 1 . . . . 132 ARG H . 19708 1 502 . 1 1 141 141 ARG C C 13 178.26 0.1 . 1 . . . . 132 ARG C . 19708 1 503 . 1 1 141 141 ARG CA C 13 57.36 0.1 . 1 . . . . 132 ARG CA . 19708 1 504 . 1 1 141 141 ARG N N 15 122.2 0.1 . 1 . . . . 132 ARG N . 19708 1 505 . 1 1 142 142 PHE H H 1 8.16 0.01 . 1 . . . . 133 PHE H . 19708 1 506 . 1 1 142 142 PHE C C 13 177.06 0.1 . 1 . . . . 133 PHE C . 19708 1 507 . 1 1 142 142 PHE CA C 13 60.44 0.1 . 1 . . . . 133 PHE CA . 19708 1 508 . 1 1 142 142 PHE N N 15 119.7 0.1 . 1 . . . . 133 PHE N . 19708 1 509 . 1 1 143 143 LEU H H 1 8.17 0.01 . 1 . . . . 134 LEU H . 19708 1 510 . 1 1 143 143 LEU C C 13 178.66 0.1 . 1 . . . . 134 LEU C . 19708 1 511 . 1 1 143 143 LEU CA C 13 57.22 0.1 . 1 . . . . 134 LEU CA . 19708 1 512 . 1 1 143 143 LEU N N 15 118.1 0.1 . 1 . . . . 134 LEU N . 19708 1 513 . 1 1 144 144 GLN H H 1 7.93 0.01 . 1 . . . . 135 GLN H . 19708 1 514 . 1 1 144 144 GLN C C 13 178.46 0.1 . 1 . . . . 135 GLN C . 19708 1 515 . 1 1 144 144 GLN CA C 13 58.34 0.1 . 1 . . . . 135 GLN CA . 19708 1 516 . 1 1 144 144 GLN N N 15 117.48 0.1 . 1 . . . . 135 GLN N . 19708 1 517 . 1 1 145 145 ILE H H 1 7.78 0.01 . 1 . . . . 136 ILE H . 19708 1 518 . 1 1 145 145 ILE C C 13 177.56 0.1 . 1 . . . . 136 ILE C . 19708 1 519 . 1 1 145 145 ILE CA C 13 63.77 0.1 . 1 . . . . 136 ILE CA . 19708 1 520 . 1 1 145 145 ILE N N 15 119.4 0.1 . 1 . . . . 136 ILE N . 19708 1 521 . 1 1 146 146 LEU H H 1 7.81 0.01 . 1 . . . . 137 LEU H . 19708 1 522 . 1 1 146 146 LEU C C 13 178.86 0.1 . 1 . . . . 137 LEU C . 19708 1 523 . 1 1 146 146 LEU CA C 13 57.33 0.1 . 1 . . . . 137 LEU CA . 19708 1 524 . 1 1 146 146 LEU N N 15 118.9 0.1 . 1 . . . . 137 LEU N . 19708 1 525 . 1 1 147 147 ARG H H 1 7.83 0.01 . 1 . . . . 138 ARG H . 19708 1 526 . 1 1 147 147 ARG C C 13 178.26 0.1 . 1 . . . . 138 ARG C . 19708 1 527 . 1 1 147 147 ARG CA C 13 58.18 0.1 . 1 . . . . 138 ARG CA . 19708 1 528 . 1 1 147 147 ARG N N 15 117 0.1 . 1 . . . . 138 ARG N . 19708 1 529 . 1 1 148 148 MET H H 1 7.87 0.01 . 1 . . . . 139 MET H . 19708 1 530 . 1 1 148 148 MET C C 13 176.66 0.1 . 1 . . . . 139 MET C . 19708 1 531 . 1 1 148 148 MET CA C 13 56.91 0.1 . 1 . . . . 139 MET CA . 19708 1 532 . 1 1 148 148 MET N N 15 117.9 0.1 . 1 . . . . 139 MET N . 19708 1 533 . 1 1 149 149 LEU H H 1 7.57 0.01 . 1 . . . . 140 LEU H . 19708 1 534 . 1 1 149 149 LEU C C 13 176.26 0.1 . 1 . . . . 140 LEU C . 19708 1 535 . 1 1 149 149 LEU CA C 13 55.18 0.1 . 1 . . . . 140 LEU CA . 19708 1 536 . 1 1 149 149 LEU N N 15 118.3 0.1 . 1 . . . . 140 LEU N . 19708 1 537 . 1 1 150 150 HIS H H 1 7.98 0.01 . 1 . . . . 141 HIS H . 19708 1 538 . 1 1 150 150 HIS C C 13 174.16 0.1 . 1 . . . . 141 HIS C . 19708 1 539 . 1 1 150 150 HIS CA C 13 55.26 0.1 . 1 . . . . 141 HIS CA . 19708 1 540 . 1 1 150 150 HIS N N 15 116.3 0.1 . 1 . . . . 141 HIS N . 19708 1 541 . 1 1 151 151 VAL H H 1 8.03 0.01 . 1 . . . . 142 VAL H . 19708 1 542 . 1 1 151 151 VAL C C 13 175.36 0.1 . 1 . . . . 142 VAL C . 19708 1 543 . 1 1 151 151 VAL CA C 13 62.02 0.1 . 1 . . . . 142 VAL CA . 19708 1 544 . 1 1 151 151 VAL N N 15 119.9 0.1 . 1 . . . . 142 VAL N . 19708 1 545 . 1 1 152 152 ASP H H 1 8.38 0.01 . 1 . . . . 143 ASP H . 19708 1 546 . 1 1 152 152 ASP C C 13 174.66 0.1 . 1 . . . . 143 ASP C . 19708 1 547 . 1 1 152 152 ASP CA C 13 53.49 0.1 . 1 . . . . 143 ASP CA . 19708 1 548 . 1 1 152 152 ASP N N 15 123.2 0.1 . 1 . . . . 143 ASP N . 19708 1 549 . 1 1 153 153 ARG H H 1 7.89 0.01 . 1 . . . . 144 ARG H . 19708 1 550 . 1 1 153 153 ARG C C 13 180.36 0.1 . 1 . . . . 144 ARG C . 19708 1 551 . 1 1 153 153 ARG CA C 13 56.73 0.1 . 1 . . . . 144 ARG CA . 19708 1 552 . 1 1 153 153 ARG N N 15 125.8 0.1 . 1 . . . . 144 ARG N . 19708 1 stop_ save_