data_16123 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for d+PHS/V66K SNase ; _BMRB_accession_number 16123 _BMRB_flat_file_name bmr16123.str _Entry_type original _Submission_date 2009-01-16 _Accession_date 2009-01-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chimenti Michael S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 "13C chemical shifts" 243 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-07 original author . stop_ _Original_release_date 2012-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Increased fluctuations and local structural reorganization triggered by the ionization of an internal lysine' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chimenti Michael S. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name D+PHS/V66K _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label D+PHS/V66K $D+PHS-V66K_Nuclease stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_D+PHS-V66K_Nuclease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common D+PHS-V66K_Nuclease _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPEFNEKYGPEASAFTKKMK ENAKKIEVEFDKGQRTDKYG RGLAYIYADGKMVNEALVRQ GLAKVAYVYKGNNTHEQLLR KAEAQAKKEKLNIWSEDNAD SGQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 THR 3 3 SER 4 4 THR 5 5 LYS 6 6 LYS 7 7 LEU 8 8 HIS 9 9 LYS 10 10 GLU 11 11 PRO 12 12 ALA 13 13 THR 14 14 LEU 15 15 ILE 16 16 LYS 17 17 ALA 18 18 ILE 19 19 ASP 20 20 GLY 21 21 ASP 22 22 THR 23 23 VAL 24 24 LYS 25 25 LEU 26 26 MET 27 27 TYR 28 28 LYS 29 29 GLY 30 30 GLN 31 31 PRO 32 32 MET 33 33 THR 34 34 PHE 35 35 ARG 36 36 LEU 37 37 LEU 38 38 LEU 39 39 VAL 40 40 ASP 41 41 THR 42 42 PRO 43 43 GLU 44 50 PHE 45 51 ASN 46 52 GLU 47 53 LYS 48 54 TYR 49 55 GLY 50 56 PRO 51 57 GLU 52 58 ALA 53 59 SER 54 60 ALA 55 61 PHE 56 62 THR 57 63 LYS 58 64 LYS 59 65 MET 60 66 LYS 61 67 GLU 62 68 ASN 63 69 ALA 64 70 LYS 65 71 LYS 66 72 ILE 67 73 GLU 68 74 VAL 69 75 GLU 70 76 PHE 71 77 ASP 72 78 LYS 73 79 GLY 74 80 GLN 75 81 ARG 76 82 THR 77 83 ASP 78 84 LYS 79 85 TYR 80 86 GLY 81 87 ARG 82 88 GLY 83 89 LEU 84 90 ALA 85 91 TYR 86 92 ILE 87 93 TYR 88 94 ALA 89 95 ASP 90 96 GLY 91 97 LYS 92 98 MET 93 99 VAL 94 100 ASN 95 101 GLU 96 102 ALA 97 103 LEU 98 104 VAL 99 105 ARG 100 106 GLN 101 107 GLY 102 108 LEU 103 109 ALA 104 110 LYS 105 111 VAL 106 112 ALA 107 113 TYR 108 114 VAL 109 115 TYR 110 116 LYS 111 117 GLY 112 118 ASN 113 119 ASN 114 120 THR 115 121 HIS 116 122 GLU 117 123 GLN 118 124 LEU 119 125 LEU 120 126 ARG 121 127 LYS 122 128 ALA 123 129 GLU 124 130 ALA 125 131 GLN 126 132 ALA 127 133 LYS 128 134 LYS 129 135 GLU 130 136 LYS 131 137 LEU 132 138 ASN 133 139 ILE 134 140 TRP 135 141 SER 136 142 GLU 137 143 ASP 138 144 ASN 139 145 ALA 140 146 ASP 141 147 SER 142 148 GLY 143 149 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15901 D+PHS 100.00 143 99.30 99.30 7.25e-98 PDB 1TQO "Cryogenic Crystal Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92e" 96.50 138 98.55 98.55 1.50e-92 PDB 1TR5 "Room Temperature Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92e" 96.50 138 98.55 98.55 1.50e-92 PDB 1TT2 "Cryogenic Crystal Structure Of Staphylococcal Nuclease Variant Truncated Delta+phs I92k" 96.50 138 98.55 98.55 1.29e-92 PDB 2RBM "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 3BDC "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs At Cryogenic Temperature" 100.00 143 99.30 99.30 7.25e-98 PDB 3C1E "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L125k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.17e-96 PDB 3C1F "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.15e-96 PDB 3D4D "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs Y91e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.35e-96 PDB 3D4W "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A109r At Cryogenic Temperature" 100.00 143 98.60 98.60 5.12e-97 PDB 3D8G "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72r At Cryogenic Temperature" 100.00 143 98.60 98.60 1.23e-96 PDB 3DHQ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A90r At Cryogenic Temperature" 100.00 143 98.60 98.60 5.12e-97 PDB 3E5S "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L103k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.17e-96 PDB 3EJI "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.17e-96 PDB 3ERO "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.41e-96 PDB 3ERQ "Crystal Structure Of Staphylococcal Nuclease Variant L25k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.17e-96 PDB 3EVQ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.12e-96 PDB 3H6M "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104e At Cryogenic Temperature" 100.00 143 98.60 98.60 9.87e-97 PDB 3HEJ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+p Cryogenic Temperature" 100.00 143 98.60 98.60 6.37e-97 PDB 3HZX "Crystal Structure Of Staphylococcal Nuclease Variant D+phsV 9 Determined At 100 K" 100.00 143 100.00 100.00 8.51e-99 PDB 3ITP "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs F34k At Cryogenic Temperature" 100.00 143 98.60 98.60 2.50e-96 PDB 3LX0 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs D21n At Cryogenic Temperature" 100.00 143 98.60 99.30 3.31e-97 PDB 3MEH "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.59e-97 PDB 3MHB "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L38a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 3MVV "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs F34a At Cryogenic Temperature" 100.00 143 98.60 98.60 1.34e-96 PDB 3MXP "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs T62a At Cryogenic Temperature" 100.00 143 98.60 98.60 3.65e-97 PDB 3MZ5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L103a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 3NHH "Crystal Structure Of Staphylococcal Nuclease Variant V23e-l36k At Cryogenic Temperature" 100.00 143 97.90 97.90 1.71e-95 PDB 3NK9 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74a At Cryogenic Temperature" 100.00 143 98.60 98.60 3.31e-97 PDB 3NP8 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 3NQT "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66a At Cryogenic Temperature" 100.00 143 99.30 99.30 4.02e-98 PDB 3NXW "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L125a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 3OSO "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 3OWF "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66r At Cryogenic Temperature" 100.00 143 99.30 100.00 1.68e-98 PDB 3P1H "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23kI92A AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 97.90 7.95e-96 PDB 3P75 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104d At Cryogenic Temperature" 90.21 129 98.45 98.45 6.91e-86 PDB 3PMF "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23a At Cryogenic Temperature" 100.00 143 98.60 98.60 3.31e-97 PDB 3QB3 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92kl25a At Cryogenic Temperature" 100.00 143 97.90 97.90 8.96e-96 PDB 3QOJ "Cryogenic Structure Of Staphylococcal Nuclease Variant D+phsV23K" 100.00 143 98.60 98.60 1.15e-96 PDB 3QOL "Crystal Structure Of Staphylococcal Nuclease Variant D+phs/v23e At Ph 6 Determined At 100 K" 100.00 143 98.60 98.60 9.87e-97 PDB 3QON "Crystal Structure Of Staphylococcal Nuclease Variant D+phsV23KL36E At Ph 7 Determined At 100 K" 100.00 143 97.90 97.90 1.86e-95 PDB 3R3O "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs T62a At Cryogenic Temperature And With High Redundancy" 100.00 143 98.60 98.60 3.65e-97 PDB 3RUZ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.15e-96 PDB 3S9W "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs M98g Bound To Ca2+ And Thymidine-5',3'-Diphosphate At Cryogenic " 100.00 143 98.60 98.60 2.19e-96 PDB 3SHL "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74kl25a At Cryogenic Temperature" 100.00 143 97.90 97.90 7.95e-96 PDB 3SK4 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs D21nV23E AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 98.60 5.25e-96 PDB 3SK5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V39d At Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 3SK8 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs M98g Apo Protein At Cryogenic Temperature" 100.00 143 98.60 98.60 2.19e-96 PDB 3SR1 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A69g Bound To Ca2+ And Thymidine-5',3'-Diphosphate At Cryogenic " 100.00 143 98.60 98.60 4.07e-97 PDB 3SXH "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92al103a At Cryogenic Temperature" 100.00 143 97.90 97.90 4.08e-96 PDB 3T13 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs A69g At Cryogenic Temperature" 100.00 143 98.60 98.60 4.07e-97 PDB 3TP6 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36e/l103k At Cryogenic Temperature" 100.00 143 97.90 97.90 1.43e-95 PDB 3TP7 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99e At Cryogenic Temperature" 100.00 143 98.60 98.60 9.87e-97 PDB 3TP8 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.12e-96 PDB 3V2T "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aV66A AT CRYOGENIC TEMPERATURE" 100.00 143 98.60 98.60 3.00e-97 PDB 3VA5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aV23A AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 97.90 2.47e-96 PDB 4DF7 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23lV99I AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 99.30 4.25e-97 PDB 4DFA "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL36A AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 97.90 4.08e-96 PDB 4DGZ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL125A AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 97.90 4.08e-96 PDB 4DU9 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92a/v74a At Cryogenic Temperature" 100.00 143 97.90 97.90 2.47e-96 PDB 4EQN "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23e/i72k At Cryogenic Temperature" 100.00 143 97.90 97.90 2.03e-95 PDB 4EQO "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99d At Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 4EQP "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72d At Cryogenic Temperature" 100.00 143 98.60 98.60 1.61e-96 PDB 4F7X "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92aL25A AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 97.90 4.08e-96 PDB 4F8M "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23iI92V AT CRYOGENIC TEMPERATURE" 100.00 143 97.90 99.30 2.05e-97 PDB 4HMI "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V99k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.15e-96 PDB 4HMJ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36d At Cryogenic Temperature" 100.00 143 98.60 98.60 1.68e-96 PDB 4HTH "Crystal Structure Of Staphylococcal Nuclease Variant Delta+viagla At Cryogenic Temperature" 100.00 143 97.20 97.90 7.86e-96 PDB 4IAL "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H121e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.14e-96 PDB 4IUN "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R126e At Cryogenic Temperature" 100.00 143 98.60 98.60 6.59e-97 PDB 4IZ8 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H8e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.14e-96 PDB 4J1M "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R105e At Cryogenic Temperature" 100.00 143 98.60 98.60 6.59e-97 PDB 4J6H "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs H121q At Cryogenic Temperature" 100.00 143 98.60 98.60 8.10e-97 PDB 4K2K "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25a/l36a/i92a At Cryogenic Temperature" 100.00 143 97.20 97.20 3.18e-95 PDB 4K2L "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92q At Cryogenic Temperature" 100.00 143 98.60 98.60 1.21e-96 PDB 4K5V "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/l36a/v99t At Cryogenic Temperature" 100.00 143 97.20 97.20 1.33e-95 PDB 4KD3 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25a/v66a/i92a At Cryogenic Temperature" 100.00 143 97.90 97.90 2.19e-96 PDB 4KHV "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23s At Cryogenic Temperature" 100.00 143 98.60 98.60 5.47e-97 PDB 4KJN "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/v66a/v99t At Cryogenic Temperature" 100.00 143 97.90 97.90 1.02e-96 PDB 4KJO "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36a/v66t/v99t At Cryogenic Temperature" 100.00 143 97.90 97.90 1.65e-96 PDB 4KTA "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R105q At Cryogenic Temperatures" 100.00 143 98.60 99.30 4.21e-97 PDB 4KV6 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs R126q At Cryogenic Temperature" 100.00 143 98.60 99.30 4.21e-97 PDB 4KY5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23d At Ph 7 And Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 4KY6 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25d At Ph 6 And Cryogenic Temperature" 100.00 143 98.60 98.60 1.68e-96 PDB 4KY7 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V74d At Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 4LAA "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36h At Cryogenic Temperature" 100.00 143 98.60 98.60 1.08e-96 PDB 4ME5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23s/v66a At Cryogenic Temperature" 100.00 143 98.60 98.60 3.38e-97 PDB 4MIU "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/v99t At Cryogenic Temperature" 100.00 143 97.90 97.90 1.68e-96 PDB 4N9P "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/l25a/v99t At Cryogenic Temperature" 100.00 143 97.20 97.20 1.33e-95 PDB 4N9T "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66a/i92s At Cryogenic Temperature" 100.00 143 98.60 98.60 3.81e-97 PDB 4NDX "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92n At Cryogenic Temperature" 100.00 143 98.60 98.60 1.49e-96 PDB 4NKL "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66a/i92q At Cryogenic Temperature" 100.00 143 98.60 98.60 6.59e-97 PDB 4NMZ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23q/v66a At Cryogenic Temperature" 100.00 143 98.60 98.60 5.41e-97 PDB 4NP5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66a/i92n At Cryogenic Temperature" 100.00 143 98.60 98.60 7.76e-97 PDB 4OL7 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66e A109e At Cryogenic Temperature" 100.00 143 98.60 99.30 1.70e-97 PDB 4PMB "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I92s At Cryogenic Temperature" 100.00 143 98.60 98.60 6.73e-97 PDB 4PMC "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I72k V74k At Cryogenic Temperature" 100.00 143 97.90 97.90 1.97e-95 PDB 4PNY "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72h At Cryogenic Temperature" 100.00 143 98.60 98.60 1.38e-96 PDB 4RKB "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66t/v99t At Cryogenic Temperature" 100.00 143 98.60 98.60 2.11e-97 PDB 4RKL "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23t/v66t At Cryogenic Temperature" 100.00 143 98.60 98.60 2.11e-97 PDB 4S3S "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92k/v23a At Cryogenic Temperature" 100.00 143 97.90 97.90 6.05e-96 PDB 4TRD "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs I72k/v74k At Ph 9.0 At Cryogenic Temperature" 100.00 143 97.90 97.90 1.97e-95 PDB 4WRD "Crystal Structure Of Staphylcoccal Nulease Variant Delta+phs V66e L125e At Cryogenic Temperature" 100.00 143 98.60 99.30 4.44e-97 PDB 4YIJ "Crystal Structure Of Staphylcoccal Nuclease Variant Delta+phs A109e At Cryogenic Temperature" 100.00 143 98.60 98.60 4.12e-97 PDB 4ZQ3 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92t At Cryogenic Temperature" 100.00 143 98.60 98.60 4.44e-97 PDB 4ZUI "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23h At Cryogenic Temperature" 100.00 143 98.60 98.60 1.28e-96 PDB 4ZUJ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs Y91h At Cryogenic Temperature" 100.00 143 98.60 99.30 3.73e-97 PDB 5C3W "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66h At Cryogenic Temperature" 100.00 143 99.30 99.30 5.11e-98 PDB 5C3X "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I72d/n100e At Cryogenic Temperature" 100.00 143 97.90 97.90 1.51e-95 PDB 5C4H "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92h At Cryogenic Temperature" 100.00 143 98.60 98.60 1.38e-96 PDB 5C4Z "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25h At Cryogenic Temperature" 100.00 143 98.60 98.60 1.08e-96 PDB 5C5L "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs T62e / L125e At Cryogenic Temperature" 100.00 143 97.90 97.90 9.36e-96 PDB 5C5M "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs T62d / V104e At Cryogenic Temperature" 100.00 143 97.90 97.90 1.18e-95 PDB 5C6A "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L25e / N100e At Cryogenic Temperature" 100.00 143 97.90 97.90 1.04e-95 PDB 5CC4 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs T62e/v66e At Cryogenic Temperature" 100.00 143 98.60 99.30 2.63e-97 PDB 5CGK "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66d/n100e At Cryogenic Temperature" 100.00 143 98.60 98.60 5.84e-97 PDB 5CR3 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V104e/l125e At Cryogenic Temperature" 100.00 143 97.20 97.20 8.14e-95 PDB 5CV4 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23d/v66h At Cryogenic Temperature" 100.00 143 98.60 98.60 8.56e-97 PDB 5CV5 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs K64g/v66k/e67g At Cryogenic Temperature" 100.00 143 98.60 98.60 9.65e-97 PDB 5CV6 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66h/i92e At Cryogenic Temperature" 100.00 143 98.60 98.60 8.75e-97 PDB 5CV7 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66h/i92d At Cryogenic Temperature" 100.00 143 98.60 98.60 9.14e-97 PDB 5CV8 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V23d/t62h At Cryogenic Temperature" 100.00 142 97.20 97.20 7.16e-93 PDB 5CV9 "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs L36e/v66h At Cryogenic Temperature" 100.00 143 98.60 98.60 6.80e-97 PDB 5DAU "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V39e/v104e At Cryogenic Temperature" 100.00 143 97.20 97.20 2.25e-94 PDB 5DEH "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs N100d At Cryogenic Temperature" 100.00 143 98.60 99.30 4.12e-97 PDB 5E1F "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs G20e At Cryogenic Temperature" 100.00 143 98.60 98.60 1.04e-96 PDB 5E3F "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs I92k At Cryogenic Temperature" 100.00 143 98.60 98.60 1.48e-96 PDB 5EGT "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs V66e At Cryogenic Temperature" 100.00 143 99.30 100.00 2.83e-98 PDB 5EGZ "Crystal Structure Of Staphylococcal Nuclease Variant Delta+phs Y91d At Cryogenic Temperature" 100.00 143 98.60 98.60 2.39e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $D+PHS-V66K_Nuclease 'E. coli' 562 Eubacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $D+PHS-V66K_Nuclease 'recombinant technology' . Escherichia coli BL21-DE3 pET24a+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N doped M9 media' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $D+PHS-V66K_Nuclease 1 mM '[U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.17 . mM pH 6.7 0.05 pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.76 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D+PHS/V66K _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 THR H H 8.32 0.01 1 2 4 4 THR CA C 62.4 0.1 1 3 4 4 THR CB C 69.2 0.1 1 4 4 4 THR N N 116.3 0.2 1 5 5 5 LYS H H 8.34 0.01 1 6 5 5 LYS CA C 56.9 0.1 1 7 5 5 LYS CB C 32.7 0.1 1 8 5 5 LYS N N 123.7 0.2 1 9 6 6 LYS H H 8.27 0.01 1 10 6 6 LYS CA C 56.7 0.1 1 11 6 6 LYS CB C 33.2 0.1 1 12 6 6 LYS N N 122.4 0.2 1 13 7 7 LEU H H 8.38 0.01 1 14 7 7 LEU CA C 55.1 0.1 1 15 7 7 LEU CB C 41.1 0.1 1 16 7 7 LEU N N 122.0 0.2 1 17 8 8 HIS H H 8.85 0.01 1 18 8 8 HIS CA C 55.9 0.1 1 19 8 8 HIS CB C 31.9 0.1 1 20 8 8 HIS N N 118.8 0.2 1 21 9 9 LYS H H 8.47 0.01 1 22 9 9 LYS CA C 56.6 0.1 1 23 9 9 LYS CB C 34.4 0.1 1 24 9 9 LYS N N 123.4 0.2 1 25 10 10 GLU H H 9.44 0.01 1 26 10 10 GLU CA C 53.8 0.1 1 27 10 10 GLU CB C 32.7 0.1 1 28 10 10 GLU N N 122.9 0.2 1 29 12 12 ALA H H 8.07 0.01 1 30 12 12 ALA CA C 52.1 0.1 1 31 12 12 ALA CB C 24.4 0.1 1 32 12 12 ALA N N 119.3 0.2 1 33 13 13 THR H H 8.06 0.01 1 34 13 13 THR CA C 61.0 0.1 1 35 13 13 THR CB C 71.1 0.1 1 36 13 13 THR N N 108.4 0.2 1 37 14 14 LEU H H 9.13 0.01 1 38 14 14 LEU CA C 57.2 0.1 1 39 14 14 LEU CB C 42.8 0.1 1 40 14 14 LEU N N 124.7 0.2 1 41 15 15 ILE H H 8.37 0.01 1 42 15 15 ILE CA C 64.4 0.1 1 43 15 15 ILE N N 125.2 0.2 1 44 16 16 LYS H H 8.07 0.01 1 45 16 16 LYS CA C 57.0 0.1 1 46 16 16 LYS N N 114.9 0.2 1 47 17 17 ALA H H 9.38 0.01 1 48 17 17 ALA CA C 53.0 0.1 1 49 17 17 ALA CB C 17.9 0.1 1 50 17 17 ALA N N 129.6 0.2 1 51 18 18 ILE H H 8.04 0.01 1 52 18 18 ILE CA C 64.2 0.1 1 53 18 18 ILE CB C 18.1 0.1 1 54 18 18 ILE N N 123.5 0.2 1 55 19 19 ASP H H 8.12 0.01 1 56 19 19 ASP CA C 54.4 0.1 1 57 19 19 ASP CB C 39.4 0.1 1 58 19 19 ASP N N 119.7 0.2 1 59 20 20 GLY H H 8.53 0.01 1 60 20 20 GLY CA C 48.1 0.1 1 61 20 20 GLY N N 103.7 0.2 1 62 22 22 THR H H 7.75 0.01 1 63 22 22 THR CA C 61.9 0.1 1 64 22 22 THR CB C 70.8 0.1 1 65 22 22 THR N N 113.1 0.2 1 66 23 23 VAL H H 8.96 0.01 1 67 23 23 VAL CA C 60.4 0.1 1 68 23 23 VAL CB C 35.1 0.1 1 69 23 23 VAL N N 118.7 0.2 1 70 25 25 LEU H H 9.38 0.01 1 71 25 25 LEU CA C 53.5 0.1 1 72 25 25 LEU CB C 45.1 0.1 1 73 25 25 LEU N N 126.1 0.2 1 74 26 26 MET H H 9.46 0.01 1 75 26 26 MET CA C 55.2 0.1 1 76 26 26 MET CB C 31.0 0.1 1 77 26 26 MET N N 121.3 0.2 1 78 27 27 TYR H H 9.06 0.01 1 79 27 27 TYR CA C 57.3 0.1 1 80 27 27 TYR CB C 41.6 0.1 1 81 27 27 TYR N N 129.3 0.2 1 82 28 28 LYS H H 9.32 0.01 1 83 28 28 LYS CA C 58.1 0.1 1 84 28 28 LYS CB C 29.4 0.1 1 85 28 28 LYS N N 126.8 0.2 1 86 29 29 GLY H H 8.47 0.01 1 87 29 29 GLY CA C 46.1 0.1 1 88 29 29 GLY N N 101.8 0.2 1 89 30 30 GLN H H 7.80 0.01 1 90 30 30 GLN CA C 53.1 0.1 1 91 30 30 GLN CB C 31.2 0.1 1 92 30 30 GLN N N 118.6 0.2 1 93 32 32 MET H H 9.63 0.01 1 94 32 32 MET CA C 56.6 0.1 1 95 32 32 MET CB C 36.7 0.1 1 96 32 32 MET N N 125.5 0.2 1 97 33 33 THR H H 8.91 0.01 1 98 33 33 THR CA C 64.0 0.1 1 99 33 33 THR CB C 68.4 0.1 1 100 33 33 THR N N 123.0 0.2 1 101 34 34 PHE H H 9.69 0.01 1 102 34 34 PHE CA C 57.4 0.1 1 103 34 34 PHE CB C 42.8 0.1 1 104 34 34 PHE N N 125.0 0.2 1 105 35 35 ARG H H 9.53 0.01 1 106 35 35 ARG CA C 53.1 0.1 1 107 35 35 ARG CB C 32.8 0.1 1 108 35 35 ARG N N 121.4 0.2 1 109 36 36 LEU H H 8.44 0.01 1 110 36 36 LEU CA C 55.9 0.1 1 111 36 36 LEU CB C 41.6 0.1 1 112 36 36 LEU N N 122.1 0.2 1 113 37 37 LEU H H 7.75 0.01 1 114 37 37 LEU CA C 56.3 0.1 1 115 37 37 LEU CB C 44.2 0.1 1 116 37 37 LEU N N 124.0 0.2 1 117 38 38 LEU H H 8.29 0.01 1 118 38 38 LEU CA C 57.7 0.1 1 119 38 38 LEU CB C 40.6 0.1 1 120 38 38 LEU N N 112.1 0.2 1 121 39 39 VAL H H 7.03 0.01 1 122 39 39 VAL CA C 59.3 0.1 1 123 39 39 VAL CB C 35.0 0.1 1 124 39 39 VAL N N 108.4 0.2 1 125 40 40 ASP H H 8.94 0.01 1 126 40 40 ASP CA C 53.6 0.1 1 127 40 40 ASP CB C 42.4 0.1 1 128 40 40 ASP N N 122.8 0.2 1 129 41 41 THR H H 8.50 0.01 1 130 41 41 THR CA C 59.4 0.1 1 131 41 41 THR CB C 68.1 0.1 1 132 41 41 THR N N 118.0 0.2 1 133 43 43 GLU H H 8.75 0.01 1 134 43 43 GLU CA C 56.9 0.1 1 135 43 43 GLU CB C 31.5 0.1 1 136 43 43 GLU N N 121.7 0.2 1 137 50 44 PHE H H 8.89 0.01 1 138 50 44 PHE CA C 63.4 0.1 1 139 50 44 PHE CB C 39.3 0.1 1 140 50 44 PHE N N 119.9 0.2 1 141 51 45 ASN H H 7.89 0.01 1 142 51 45 ASN CA C 53.4 0.1 1 143 51 45 ASN CB C 37.5 0.1 1 144 51 45 ASN N N 109.8 0.2 1 145 52 46 GLU H H 8.02 0.01 1 146 52 46 GLU CA C 55.1 0.1 1 147 52 46 GLU CB C 32.1 0.1 1 148 52 46 GLU N N 120.4 0.2 1 149 53 47 LYS H H 8.55 0.01 1 150 53 47 LYS CA C 59.7 0.1 1 151 53 47 LYS CB C 31.4 0.1 1 152 53 47 LYS N N 124.3 0.2 1 153 54 48 TYR H H 8.63 0.01 1 154 54 48 TYR CA C 62.8 0.1 1 155 54 48 TYR CB C 34.9 0.1 1 156 54 48 TYR N N 115.6 0.2 1 157 55 49 GLY H H 8.67 0.01 1 158 55 49 GLY CA C 49.5 0.1 1 159 55 49 GLY N N 109.0 0.2 1 160 57 51 GLU H H 9.06 0.01 1 161 57 51 GLU CA C 62.3 0.1 1 162 57 51 GLU CB C 28.0 0.1 1 163 57 51 GLU N N 120.2 0.2 1 164 58 52 ALA H H 8.97 0.01 1 165 58 52 ALA CA C 56.7 0.1 1 166 58 52 ALA CB C 17.8 0.1 1 167 58 52 ALA N N 124.5 0.2 1 168 59 53 SER H H 8.08 0.01 1 169 59 53 SER CA C 62.5 0.1 1 170 59 53 SER CB C 62.7 0.1 1 171 59 53 SER N N 111.0 0.2 1 172 60 54 ALA H H 8.50 0.01 1 173 60 54 ALA CA C 55.5 0.1 1 174 60 54 ALA CB C 18.0 0.1 1 175 60 54 ALA N N 122.0 0.2 1 176 61 55 PHE H H 8.23 0.01 1 177 61 55 PHE CA C 62.3 0.1 1 178 61 55 PHE CB C 39.6 0.1 1 179 61 55 PHE N N 120.3 0.2 1 180 62 56 THR H H 8.44 0.01 1 181 62 56 THR CA C 67.7 0.1 1 182 62 56 THR CB C 68.0 0.1 1 183 62 56 THR N N 117.4 0.2 1 184 63 57 LYS H H 7.94 0.01 1 185 63 57 LYS CA C 61.1 0.1 1 186 63 57 LYS CB C 32.7 0.1 1 187 63 57 LYS N N 120.7 0.2 1 188 64 58 LYS H H 7.97 0.01 1 189 64 58 LYS CA C 59.8 0.1 1 190 64 58 LYS CB C 31.7 0.1 1 191 64 58 LYS N N 117.2 0.2 1 192 65 59 MET H H 7.69 0.01 1 193 65 59 MET CA C 59.9 0.1 1 194 65 59 MET CB C 32.1 0.1 1 195 65 59 MET N N 116.1 0.2 1 196 66 60 LYS H H 7.93 0.01 1 197 66 60 LYS CA C 59.6 0.1 1 198 66 60 LYS CB C 32.5 0.1 1 199 66 60 LYS N N 113.6 0.2 1 200 67 61 GLU H H 8.79 0.01 1 201 67 61 GLU CA C 59.6 0.1 1 202 67 61 GLU CB C 28.9 0.1 1 203 67 61 GLU N N 117.5 0.2 1 204 68 62 ASN H H 7.46 0.01 1 205 68 62 ASN CA C 53.8 0.1 1 206 68 62 ASN CB C 38.9 0.1 1 207 68 62 ASN N N 113.0 0.2 1 208 69 63 ALA H H 6.90 0.01 1 209 69 63 ALA CA C 52.1 0.1 1 210 69 63 ALA CB C 19.0 0.1 1 211 69 63 ALA N N 121.2 0.2 1 212 70 64 LYS H H 10.11 0.01 1 213 70 64 LYS CA C 58.3 0.1 1 214 70 64 LYS CB C 32.0 0.1 1 215 70 64 LYS N N 124.8 0.2 1 216 71 65 LYS H H 8.92 0.01 1 217 71 65 LYS CA C 56.1 0.1 1 218 71 65 LYS CB C 35.1 0.1 1 219 71 65 LYS N N 121.2 0.2 1 220 72 66 ILE H H 9.00 0.01 1 221 72 66 ILE CA C 59.4 0.1 1 222 72 66 ILE CB C 38.1 0.1 1 223 72 66 ILE N N 128.6 0.2 1 224 73 67 GLU H H 8.75 0.01 1 225 73 67 GLU CA C 54.5 0.1 1 226 73 67 GLU CB C 36.0 0.1 1 227 73 67 GLU N N 122.9 0.2 1 228 74 68 VAL H H 9.57 0.01 1 229 74 68 VAL CA C 60.3 0.1 1 230 74 68 VAL N N 116.8 0.2 1 231 75 69 GLU H H 8.94 0.01 1 232 75 69 GLU CA C 55.2 0.1 1 233 75 69 GLU CB C 35.6 0.1 1 234 75 69 GLU N N 126.4 0.2 1 235 76 70 PHE H H 8.88 0.01 1 236 76 70 PHE CA C 60.2 0.1 1 237 76 70 PHE CB C 39.6 0.1 1 238 76 70 PHE N N 125.7 0.2 1 239 77 71 ASP H H 9.39 0.01 1 240 77 71 ASP CA C 52.2 0.1 1 241 77 71 ASP CB C 43.2 0.1 1 242 77 71 ASP N N 122.6 0.2 1 243 78 72 LYS H H 10.52 0.01 1 244 78 72 LYS CA C 57.6 0.1 1 245 78 72 LYS CB C 33.0 0.1 1 246 78 72 LYS N N 118.1 0.2 1 247 79 73 GLY H H 8.14 0.01 1 248 79 73 GLY CA C 45.4 0.1 1 249 79 73 GLY N N 111.3 0.2 1 250 80 74 GLN H H 8.21 0.01 1 251 80 74 GLN CA C 57.5 0.1 1 252 80 74 GLN CB C 29.6 0.1 1 253 80 74 GLN N N 122.3 0.2 1 254 81 75 ARG H H 8.71 0.01 1 255 81 75 ARG CA C 58.9 0.1 1 256 81 75 ARG CB C 32.0 0.1 1 257 81 75 ARG N N 122.9 0.2 1 258 82 76 THR H H 7.29 0.01 1 259 82 76 THR CA C 58.8 0.1 1 260 82 76 THR CB C 72.3 0.1 1 261 82 76 THR N N 105.5 0.2 1 262 83 77 ASP H H 8.62 0.01 1 263 83 77 ASP CA C 52.5 0.1 1 264 83 77 ASP CB C 41.5 0.1 1 265 83 77 ASP N N 120.3 0.2 1 266 85 79 TYR H H 7.94 0.01 1 267 85 79 TYR CA C 57.5 0.1 1 268 85 79 TYR CB C 37.8 0.1 1 269 85 79 TYR N N 118.5 0.2 1 270 86 80 GLY H H 8.14 0.01 1 271 86 80 GLY CA C 46.0 0.1 1 272 86 80 GLY N N 107.9 0.2 1 273 87 81 ARG H H 8.53 0.01 1 274 87 81 ARG CA C 56.4 0.1 1 275 87 81 ARG N N 120.9 0.2 1 276 88 82 GLY H H 8.70 0.01 1 277 88 82 GLY CA C 45.8 0.1 1 278 88 82 GLY N N 108.0 0.2 1 279 89 83 LEU H H 8.36 0.01 1 280 89 83 LEU CA C 53.6 0.1 1 281 89 83 LEU CB C 41.9 0.1 1 282 89 83 LEU N N 125.2 0.2 1 283 90 84 ALA H H 7.59 0.01 1 284 90 84 ALA CA C 51.3 0.1 1 285 90 84 ALA CB C 23.4 0.1 1 286 90 84 ALA N N 120.1 0.2 1 287 91 85 TYR H H 9.01 0.01 1 288 91 85 TYR CA C 57.8 0.1 1 289 91 85 TYR CB C 37.4 0.1 1 290 91 85 TYR N N 122.7 0.2 1 291 92 86 ILE H H 8.01 0.01 1 292 92 86 ILE CA C 59.9 0.1 1 293 92 86 ILE CB C 38.8 0.1 1 294 92 86 ILE N N 121.6 0.2 1 295 93 87 TYR H H 9.55 0.01 1 296 93 87 TYR CA C 56.9 0.1 1 297 93 87 TYR CB C 41.3 0.1 1 298 93 87 TYR N N 125.9 0.2 1 299 94 88 ALA H H 9.22 0.01 1 300 94 88 ALA CA C 50.3 0.1 1 301 94 88 ALA CB C 20.5 0.1 1 302 94 88 ALA N N 124.9 0.2 1 303 95 89 ASP H H 9.77 0.01 1 304 95 89 ASP CA C 56.9 0.1 1 305 95 89 ASP CB C 39.3 0.1 1 306 95 89 ASP N N 126.9 0.2 1 307 96 90 GLY H H 9.40 0.01 1 308 96 90 GLY CA C 45.9 0.1 1 309 96 90 GLY N N 102.7 0.2 1 310 97 91 LYS H H 7.87 0.01 1 311 97 91 LYS CA C 54.8 0.1 1 312 97 91 LYS CB C 32.7 0.1 1 313 97 91 LYS N N 121.0 0.2 1 314 98 92 MET H H 9.38 0.01 1 315 98 92 MET CA C 56.9 0.1 1 316 98 92 MET CB C 34.0 0.1 1 317 98 92 MET N N 126.5 0.2 1 318 99 93 VAL H H 10.20 0.01 1 319 99 93 VAL CA C 66.5 0.1 1 320 99 93 VAL CB C 31.8 0.1 1 321 99 93 VAL N N 135.5 0.2 1 322 100 94 ASN H H 9.72 0.01 1 323 100 94 ASN CA C 57.4 0.1 1 324 100 94 ASN CB C 34.5 0.1 1 325 100 94 ASN N N 108.9 0.2 1 326 101 95 GLU H H 6.09 0.01 1 327 101 95 GLU CA C 59.6 0.1 1 328 101 95 GLU CB C 30.8 0.1 1 329 101 95 GLU N N 112.7 0.2 1 330 102 96 ALA H H 7.87 0.01 1 331 102 96 ALA CA C 55.8 0.1 1 332 102 96 ALA CB C 17.9 0.1 1 333 102 96 ALA N N 121.8 0.2 1 334 103 97 LEU H H 8.19 0.01 1 335 103 97 LEU CA C 58.6 0.1 1 336 103 97 LEU CB C 44.6 0.1 1 337 103 97 LEU N N 116.2 0.2 1 338 104 98 VAL H H 6.86 0.01 1 339 104 98 VAL CA C 65.8 0.1 1 340 104 98 VAL CB C 31.6 0.1 1 341 104 98 VAL N N 116.1 0.2 1 342 105 99 ARG H H 9.20 0.01 1 343 105 99 ARG CA C 57.3 0.1 1 344 105 99 ARG CB C 28.4 0.1 1 345 105 99 ARG N N 122.2 0.2 1 346 106 100 GLN H H 7.19 0.01 1 347 106 100 GLN CA C 54.4 0.1 1 348 106 100 GLN N N 112.2 0.2 1 349 107 101 GLY H H 8.14 0.01 1 350 107 101 GLY CA C 47.0 0.1 1 351 107 101 GLY N N 106.6 0.2 1 352 108 102 LEU H H 7.69 0.01 1 353 108 102 LEU CA C 53.8 0.1 1 354 108 102 LEU CB C 43.1 0.1 1 355 108 102 LEU N N 114.6 0.2 1 356 109 103 ALA H H 6.99 0.01 1 357 109 103 ALA CA C 51.1 0.1 1 358 109 103 ALA CB C 24.3 0.1 1 359 109 103 ALA N N 112.1 0.2 1 360 110 104 LYS H H 8.00 0.01 1 361 110 104 LYS CA C 54.9 0.1 1 362 110 104 LYS CB C 35.2 0.1 1 363 110 104 LYS N N 117.7 0.2 1 364 111 105 VAL H H 9.04 0.01 1 365 111 105 VAL CA C 64.0 0.1 1 366 111 105 VAL N N 121.7 0.2 1 367 112 106 ALA H H 7.77 0.01 1 368 112 106 ALA CA C 51.7 0.1 1 369 112 106 ALA CB C 21.5 0.1 1 370 112 106 ALA N N 131.5 0.2 1 371 116 110 LYS H H 8.64 0.01 1 372 116 110 LYS CA C 58.2 0.1 1 373 116 110 LYS CB C 31.6 0.1 1 374 116 110 LYS N N 123.6 0.2 1 375 117 111 GLY H H 8.55 0.01 1 376 117 111 GLY CA C 46.0 0.1 1 377 117 111 GLY N N 109.2 0.2 1 378 118 112 ASN H H 7.90 0.01 1 379 118 112 ASN CA C 52.0 0.1 1 380 118 112 ASN CB C 38.0 0.1 1 381 118 112 ASN N N 120.2 0.2 1 382 119 113 ASN H H 7.75 0.01 1 383 119 113 ASN CA C 52.4 0.1 1 384 119 113 ASN CB C 39.1 0.1 1 385 119 113 ASN N N 116.4 0.2 1 386 120 114 THR H H 10.42 0.01 1 387 120 114 THR CA C 69.9 0.1 1 388 120 114 THR CB C 66.7 0.1 1 389 120 114 THR N N 123.3 0.2 1 390 121 115 HIS H H 6.90 0.01 1 391 121 115 HIS CA C 54.5 0.1 1 392 121 115 HIS CB C 29.5 0.1 1 393 121 115 HIS N N 113.0 0.2 1 394 122 116 GLU H H 7.46 0.01 1 395 122 116 GLU CA C 62.0 0.1 1 396 122 116 GLU CB C 27.8 0.1 1 397 122 116 GLU N N 120.1 0.2 1 398 123 117 GLN H H 8.92 0.01 1 399 123 117 GLN CA C 60.3 0.1 1 400 123 117 GLN CB C 27.0 0.1 1 401 123 117 GLN N N 116.9 0.2 1 402 124 118 LEU H H 7.94 0.01 1 403 124 118 LEU CA C 58.9 0.1 1 404 124 118 LEU CB C 41.9 0.1 1 405 124 118 LEU N N 121.8 0.2 1 406 125 119 LEU H H 8.08 0.01 1 407 125 119 LEU CA C 59.0 0.1 1 408 125 119 LEU CB C 40.6 0.1 1 409 125 119 LEU N N 120.3 0.2 1 410 126 120 ARG H H 9.00 0.01 1 411 126 120 ARG CA C 60.6 0.1 1 412 126 120 ARG CB C 28.9 0.1 1 413 126 120 ARG N N 119.4 0.2 1 414 127 121 LYS H H 8.18 0.01 1 415 127 121 LYS CA C 60.4 0.1 1 416 127 121 LYS CB C 31.8 0.1 1 417 127 121 LYS N N 121.8 0.2 1 418 128 122 ALA H H 7.39 0.01 1 419 128 122 ALA CA C 55.6 0.1 1 420 128 122 ALA CB C 17.5 0.1 1 421 128 122 ALA N N 122.7 0.2 1 422 129 123 GLU H H 8.39 0.01 1 423 129 123 GLU CA C 59.6 0.1 1 424 129 123 GLU CB C 31.0 0.1 1 425 129 123 GLU N N 120.7 0.2 1 426 130 124 ALA H H 8.03 0.01 1 427 130 124 ALA CA C 55.4 0.1 1 428 130 124 ALA CB C 17.4 0.1 1 429 130 124 ALA N N 119.0 0.2 1 430 131 125 GLN H H 7.56 0.01 1 431 131 125 GLN CA C 59.1 0.1 1 432 131 125 GLN CB C 27.8 0.1 1 433 131 125 GLN N N 118.1 0.2 1 434 132 126 ALA H H 8.03 0.01 1 435 132 126 ALA CA C 56.4 0.1 1 436 132 126 ALA CB C 18.2 0.1 1 437 132 126 ALA N N 122.7 0.2 1 438 133 127 LYS H H 8.21 0.01 1 439 133 127 LYS CA C 60.2 0.1 1 440 133 127 LYS CB C 32.1 0.1 1 441 133 127 LYS N N 116.7 0.2 1 442 134 128 LYS H H 7.80 0.01 1 443 134 128 LYS CA C 59.9 0.1 1 444 134 128 LYS CB C 32.0 0.1 1 445 134 128 LYS N N 121.9 0.2 1 446 135 129 GLU H H 7.66 0.01 1 447 135 129 GLU CA C 57.1 0.1 1 448 135 129 GLU CB C 29.7 0.1 1 449 135 129 GLU N N 115.9 0.2 1 450 136 130 LYS H H 7.83 0.01 1 451 136 130 LYS CA C 57.2 0.1 1 452 136 130 LYS CB C 28.9 0.1 1 453 136 130 LYS N N 116.4 0.2 1 454 137 131 LEU H H 7.65 0.01 1 455 137 131 LEU CA C 55.5 0.1 1 456 137 131 LEU CB C 43.8 0.1 1 457 137 131 LEU N N 116.6 0.2 1 458 138 132 ASN H H 9.08 0.01 1 459 138 132 ASN CA C 57.0 0.1 1 460 138 132 ASN CB C 38.4 0.1 1 461 138 132 ASN N N 118.4 0.2 1 462 139 133 ILE H H 8.33 0.01 1 463 139 133 ILE CA C 66.2 0.1 1 464 139 133 ILE CB C 37.4 0.1 1 465 139 133 ILE N N 124.2 0.2 1 466 140 134 TRP H H 7.82 0.01 1 467 140 134 TRP CA C 55.3 0.1 1 468 140 134 TRP CB C 29.8 0.1 1 469 140 134 TRP N N 119.0 0.2 1 470 141 135 SER H H 8.11 0.01 1 471 141 135 SER CA C 60.5 0.1 1 472 141 135 SER CB C 64.2 0.1 1 473 141 135 SER N N 115.7 0.2 1 474 142 136 GLU H H 7.99 0.01 1 475 142 136 GLU CA C 56.6 0.1 1 476 142 136 GLU CB C 30.3 0.1 1 477 142 136 GLU N N 120.8 0.2 1 478 143 137 ASP H H 8.38 0.01 1 479 143 137 ASP CA C 55.3 0.1 1 480 143 137 ASP CB C 40.9 0.1 1 481 143 137 ASP N N 121.1 0.2 1 482 144 138 ASN H H 8.44 0.01 1 483 144 138 ASN CA C 53.6 0.1 1 484 144 138 ASN N N 118.9 0.2 1 485 145 139 ALA H H 8.26 0.01 1 486 145 139 ALA CA C 53.7 0.1 1 487 145 139 ALA CB C 18.9 0.1 1 488 145 139 ALA N N 123.6 0.2 1 489 146 140 ASP H H 8.37 0.01 1 490 146 140 ASP CA C 54.9 0.1 1 491 146 140 ASP CB C 40.9 0.1 1 492 146 140 ASP N N 118.6 0.2 1 493 147 141 SER H H 8.25 0.01 1 494 147 141 SER CA C 59.4 0.1 1 495 147 141 SER CB C 63.6 0.1 1 496 147 141 SER N N 115.8 0.2 1 497 148 142 GLY H H 8.50 0.01 1 498 148 142 GLY CA C 46.1 0.1 1 499 148 142 GLY N N 110.7 0.2 1 500 149 143 GLN H H 7.86 0.01 1 501 149 143 GLN CA C 57.8 0.1 1 502 149 143 GLN CB C 30.0 0.1 1 503 149 143 GLN N N 124.1 0.2 1 stop_ save_