data_189 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Signal Assignments of Amide Protons in the alpha-Helical Domains of Staphylococcal Nuclease ; _BMRB_accession_number 189 _BMRB_flat_file_name bmr189.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Torchia Dennis A. . 2 Sparks Steven W. . 3 Bax Ad . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 25 "15N chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-10 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Torchia, Dennis A., Sparks, Steven W., Bax, Ad, "NMR Signal Assignments of Amide Protons in the alpha-Helical Domains of Staphylococcal Nuclease," Biochemistry 27 (14), 5135-5141 (1988). ; _Citation_title ; NMR Signal Assignments of Amide Protons in the alpha-Helical Domains of Staphylococcal Nuclease ; _Citation_status published _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 Torchia Dennis A. . 2 Sparks Steven W. . 3 Bax Ad . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 27 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5135 _Page_last 5141 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_micrococcal_nuclease _Saveframe_category molecular_system _Mol_system_name 'micrococcal nuclease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'micrococcal nuclease' $micrococcal_nuclease stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_micrococcal_nuclease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'micrococcal nuclease' _Name_variant 'with leading heptapeptide MDPTVYS' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MDPTVYSATSTKKLHKEPAT LIKAIDGDTVKLMYKGQPMT FRLLLVDTPETKHPKKGVEK YGPEASAFTKKMVENAKKIE VEFNKGQRTDKYGRGLAYIY ADGKMVNEALVRQGLAKVAY VYKPNNTHEQHLRKSEAQAK KEKLNIWSENDADSGQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 THR 5 VAL 6 TYR 7 SER 8 ALA 9 THR 10 SER 11 THR 12 LYS 13 LYS 14 LEU 15 HIS 16 LYS 17 GLU 18 PRO 19 ALA 20 THR 21 LEU 22 ILE 23 LYS 24 ALA 25 ILE 26 ASP 27 GLY 28 ASP 29 THR 30 VAL 31 LYS 32 LEU 33 MET 34 TYR 35 LYS 36 GLY 37 GLN 38 PRO 39 MET 40 THR 41 PHE 42 ARG 43 LEU 44 LEU 45 LEU 46 VAL 47 ASP 48 THR 49 PRO 50 GLU 51 THR 52 LYS 53 HIS 54 PRO 55 LYS 56 LYS 57 GLY 58 VAL 59 GLU 60 LYS 61 TYR 62 GLY 63 PRO 64 GLU 65 ALA 66 SER 67 ALA 68 PHE 69 THR 70 LYS 71 LYS 72 MET 73 VAL 74 GLU 75 ASN 76 ALA 77 LYS 78 LYS 79 ILE 80 GLU 81 VAL 82 GLU 83 PHE 84 ASN 85 LYS 86 GLY 87 GLN 88 ARG 89 THR 90 ASP 91 LYS 92 TYR 93 GLY 94 ARG 95 GLY 96 LEU 97 ALA 98 TYR 99 ILE 100 TYR 101 ALA 102 ASP 103 GLY 104 LYS 105 MET 106 VAL 107 ASN 108 GLU 109 ALA 110 LEU 111 VAL 112 ARG 113 GLN 114 GLY 115 LEU 116 ALA 117 LYS 118 VAL 119 ALA 120 TYR 121 VAL 122 TYR 123 LYS 124 PRO 125 ASN 126 ASN 127 THR 128 HIS 129 GLU 130 GLN 131 HIS 132 LEU 133 ARG 134 LYS 135 SER 136 GLU 137 ALA 138 GLN 139 ALA 140 LYS 141 LYS 142 GLU 143 LYS 144 LEU 145 ASN 146 ILE 147 TRP 148 SER 149 GLU 150 ASN 151 ASP 152 ALA 153 ASP 154 SER 155 GLY 156 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 136 "micrococcal nuclease" 100.00 156 100.00 100.00 9.48e-110 BMRB 1581 "micrococcal nuclease" 92.31 156 100.00 100.00 4.49e-100 BMRB 1582 "micrococcal nuclease" 92.31 156 99.31 100.00 1.67e-99 BMRB 16585 SNase140 89.74 140 98.57 99.29 3.38e-94 BMRB 1704 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 17718 Staphylococcal_nuclease 95.51 149 97.32 99.33 4.82e-100 BMRB 1874 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 1875 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 1876 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 1877 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 1878 "micrococcal nuclease" 91.67 143 97.90 99.30 7.91e-96 BMRB 188 "micrococcal nuclease" 100.00 156 100.00 100.00 9.48e-110 BMRB 2784 "micrococcal nuclease" 100.00 156 100.00 100.00 9.48e-110 BMRB 2785 "micrococcal nuclease" 100.00 156 100.00 100.00 9.48e-110 BMRB 4010 SNOB 66.03 103 97.09 99.03 2.88e-64 BMRB 4052 "staphylococcal nuclease" 95.51 149 97.32 99.33 4.82e-100 BMRB 4053 "staphylococcal nuclease" 95.51 149 97.32 99.33 4.82e-100 PDB 1A2T "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 1A2U "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" 95.51 149 97.32 99.33 8.30e-101 PDB 1A3T "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" 95.51 149 97.32 99.33 8.30e-101 PDB 1A3U "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 1A3V "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 1AEX "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 1ENA "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 86.54 135 98.52 100.00 1.14e-91 PDB 1ENC "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 95.51 149 97.32 100.00 5.92e-101 PDB 1EY0 "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" 95.51 149 97.99 100.00 1.51e-101 PDB 1EY4 "Structure Of S. Nuclease Stabilizing Mutant S59a" 95.51 149 97.32 100.00 4.31e-101 PDB 1EY5 "Structure Of S. Nuclease Stabilizing Mutant T33v" 95.51 149 97.32 99.33 7.60e-101 PDB 1EY6 "Structure Of S. Nuclease Stabilizing Mutant T41i" 95.51 149 97.32 99.33 8.67e-101 PDB 1EY7 "Structure Of S. Nuclease Stabilizing Mutant S128a" 95.51 149 97.32 100.00 4.31e-101 PDB 1EYD "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" 95.51 149 97.99 100.00 1.51e-101 PDB 1EZ8 "Structure Of S. Nuclease Stabilizing Mutant T33v" 95.51 149 97.32 99.33 7.60e-101 PDB 1JOK "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" 95.51 149 97.32 99.33 4.82e-100 PDB 1JOO "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" 95.51 149 97.32 99.33 4.82e-100 PDB 1JOQ "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" 95.51 149 97.32 99.33 4.82e-100 PDB 1JOR "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" 95.51 149 97.32 99.33 4.82e-100 PDB 1KAA "Stress And Strain In Staphylococcal Nuclease" 87.18 136 98.53 99.26 3.82e-92 PDB 1KAB "Stress And Strain In Staphylococcal Nuclease" 87.18 136 98.53 99.26 6.73e-92 PDB 1KDA "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 95.51 149 98.66 99.33 2.96e-102 PDB 1KDB "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 95.51 149 98.66 100.00 1.85e-102 PDB 1KDC "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" 95.51 149 98.66 99.33 2.52e-102 PDB 1NSN "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" 95.51 149 99.33 100.00 5.05e-103 PDB 1NUC "Staphylococcal Nuclease, V23c Variant" 95.51 149 97.32 99.33 3.86e-101 PDB 1RKN "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" 70.51 110 98.18 99.09 5.37e-70 PDB 1SNC "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" 95.51 149 97.99 100.00 1.51e-101 PDB 1SNM "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" 95.51 149 97.32 100.00 5.19e-101 PDB 1SNO "Protein Stability In Staphylococcal Nuclease" 95.51 149 97.32 99.33 4.82e-100 PDB 1STB "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" 96.15 150 97.33 99.33 1.07e-99 PDB 1STG "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 95.51 149 97.99 100.00 1.51e-101 PDB 1STH "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" 95.51 149 97.99 100.00 1.51e-101 PDB 1STN "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" 95.51 149 97.99 100.00 1.51e-101 PDB 1STY "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" 96.15 150 97.33 99.33 1.26e-99 PDB 1SYC "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 95.51 149 97.32 99.33 3.18e-100 PDB 1SYD "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 95.51 149 97.32 99.33 3.18e-100 PDB 1SYE "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 95.51 149 97.32 99.33 1.78e-100 PDB 1SYF "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 95.51 149 97.32 99.33 1.78e-100 PDB 1SYG "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" 95.51 149 97.32 99.33 1.40e-100 PDB 2ENB "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" 86.54 135 98.52 100.00 1.14e-91 PDB 2EXZ "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" 95.51 149 97.32 99.33 5.92e-101 PDB 2EY1 "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" 95.51 149 97.32 99.33 7.60e-101 PDB 2EY2 "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" 95.51 149 97.32 99.33 5.92e-101 PDB 2EY5 "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" 95.51 149 97.32 100.00 3.54e-101 PDB 2EY6 "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" 95.51 149 97.32 99.33 7.60e-101 PDB 2EYF "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" 95.51 149 97.32 99.33 7.60e-101 PDB 2EYH "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" 95.51 149 97.32 100.00 3.54e-101 PDB 2EYJ "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" 95.51 149 97.32 99.33 7.60e-101 PDB 2EYL "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" 95.51 149 97.32 100.00 3.54e-101 PDB 2EYM "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" 95.51 149 97.32 99.33 5.92e-101 PDB 2EYO "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" 95.51 149 97.32 100.00 3.54e-101 PDB 2EYP "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" 95.51 149 97.32 99.33 7.60e-101 PDB 2F0D "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" 95.51 149 97.32 100.00 2.58e-101 PDB 2F0E "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" 95.51 149 97.32 100.00 4.55e-101 PDB 2F0F "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" 95.51 149 97.32 100.00 3.24e-101 PDB 2F0G "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" 95.51 149 97.32 100.00 2.26e-101 PDB 2F0H "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" 95.51 149 97.32 100.00 4.55e-101 PDB 2F0I "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" 95.51 149 97.32 100.00 4.22e-101 PDB 2F0J "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" 95.51 149 97.32 100.00 2.58e-101 PDB 2F3V "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" 70.51 110 98.18 99.09 4.18e-70 PDB 2F3W "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" 70.51 110 99.09 100.00 2.14e-71 PDB 2KHS "Solution Structure Of Snase121:snase(111-143) Complex" 77.56 121 99.17 100.00 1.39e-80 PDB 2KQ3 "Solution Structure Of Snase140" 89.74 140 98.57 99.29 3.38e-94 PDB 2NUC "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 2SNM "In A Staphylococcal Nuclease Mutant The Side-chain Of A Lysine Replacing Valine 66 Is Fully Buried In The Hydrophobic Core" 95.51 149 97.32 99.33 1.69e-100 PDB 2SNS "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" 95.51 149 100.00 100.00 7.88e-104 PDB 2SOB "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" 66.03 103 97.09 99.03 2.88e-64 PDB 3NUC "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 PDB 4G57 "Staphylococcal Nuclease Double Mutant I72l, I92l" 86.54 135 97.78 100.00 1.63e-91 PDB 4K14 "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" 87.18 136 97.79 100.00 3.53e-92 PDB 4K8I "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" 86.54 135 97.78 100.00 1.45e-91 PDB 4K8J "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" 86.54 135 97.78 100.00 1.05e-91 PDB 4QB4 "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" 87.18 136 97.06 100.00 2.19e-91 PDB 4WOR "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" 95.51 149 97.99 100.00 1.51e-101 PDB 5NUC "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" 95.51 149 97.32 99.33 8.30e-101 DBJ BAB94634 "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" 98.72 228 97.40 99.35 6.48e-105 DBJ BAF67032 "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" 99.36 228 97.42 99.35 6.63e-106 DBJ BAR08312 "thermonuclease [Staphylococcus aureus subsp. aureus]" 99.36 231 97.42 99.35 8.64e-106 DBJ BAR11036 "thermonuclease [Staphylococcus aureus subsp. aureus]" 99.36 231 97.42 99.35 8.64e-106 DBJ BAS50937 "nuclease [Staphylococcus aureus]" 99.36 228 97.42 99.35 6.63e-106 EMBL CAA24594 "nuclease [Staphylococcus aureus]" 99.36 231 98.06 100.00 1.74e-107 EMBL CAG39855 "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" 98.72 228 97.40 99.35 5.27e-105 EMBL CAG42530 "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" 98.72 228 97.40 99.35 6.48e-105 EMBL CAQ49298 "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" 99.36 228 97.42 99.35 5.27e-106 EMBL CBI48745 "thermonuclease precursor [Staphylococcus aureus subsp. aureus TW20]" 99.36 228 97.42 99.35 6.63e-106 GB AAC14660 "deltaSP-Nuc [Cloning vector pFUN]" 99.36 155 98.06 100.00 1.10e-106 GB AAW36415 "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" 99.36 228 97.42 99.35 6.63e-106 GB ABD22328 "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 99.36 228 97.42 99.35 6.63e-106 GB ABD29945 "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" 99.36 228 97.42 99.35 6.63e-106 GB ABF58092 "thermostable nuclease [Staphylococcus aureus]" 92.95 218 98.62 99.31 1.75e-98 PRF 1109959A nuclease,staphylococcal 99.36 242 98.06 100.00 1.96e-107 PRF 710414A nuclease 95.51 149 97.99 100.00 1.51e-101 REF WP_000141556 "thermonuclease [Staphylococcus aureus]" 99.36 228 97.42 99.35 5.63e-106 REF WP_001548082 "thermonuclease [Staphylococcus aureus]" 99.36 228 97.42 99.35 6.63e-106 REF WP_001566557 "thermonuclease [Staphylococcus aureus]" 99.36 228 97.42 99.35 6.41e-106 REF WP_001574556 "thermonuclease [Staphylococcus aureus]" 99.36 228 97.42 99.35 5.27e-106 REF WP_001641381 "MULTISPECIES: thermonuclease [Bacteria]" 99.36 228 97.42 99.35 4.57e-106 SP P00644 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" 99.36 231 98.06 100.00 1.74e-107 SP Q5HHM4 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 99.36 228 97.42 99.35 6.63e-106 SP Q6GB41 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 98.72 228 97.40 99.35 6.48e-105 SP Q6GIK1 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 98.72 228 97.40 99.35 5.27e-105 SP Q8NXI6 "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" 98.72 228 97.40 99.35 6.48e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $micrococcal_nuclease . 1280 Bacteria . Staphylcoccus aureus 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 $micrococcal_nuclease 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.6 . na temperature 309 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label H2O/HDO H . . ppm 4.67 . . . . . $entry_citation $entry_citation 'liquid NH3' N . . ppm 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'micrococcal nuclease' _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 . 33 MET H H 9.56 . 1 2 . 33 MET N N 122 . 1 3 . 39 MET H H 9.57 . 1 4 . 39 MET N N 125.8 . 1 5 . 41 PHE H H 9.74 . 1 6 . 41 PHE N N 125.8 . 1 7 . 46 VAL H H 6.99 . 1 8 . 46 VAL N N 103.8 . 1 9 . 66 SER H H 8.32 . 1 10 . 66 SER N N 111.7 . 1 11 . 68 PHE H H 8.11 . 1 12 . 68 PHE N N 121.3 . 1 13 . 72 MET H H 7.67 . 1 14 . 72 MET N N 116.2 . 1 15 . 73 VAL H H 8.28 . 1 16 . 73 VAL N N 107.8 . 1 17 . 74 GLU H H 8.78 . 1 18 . 74 GLU N N 121.1 . 1 19 . 83 PHE H H 8.85 . 1 20 . 83 PHE N N 126.6 . 1 21 . 105 MET H H 9.23 . 1 22 . 105 MET N N 126.6 . 1 23 . 106 VAL H H 10.18 . 1 24 . 106 VAL N N 136.1 . 1 25 . 108 GLU H H 6.19 . 1 26 . 108 GLU N N 112.7 . 1 27 . 110 LEU H H 7.95 . 1 28 . 110 LEU N N 115.5 . 1 29 . 111 VAL H H 6.89 . 1 30 . 111 VAL N N 117 . 1 31 . 113 GLN H H 7.1 . 1 32 . 113 GLN N N 112.1 . 1 33 . 115 LEU H H 7.8 . 1 34 . 115 LEU N N 115.3 . 1 35 . 128 HIS H H 6.82 . 1 36 . 128 HIS N N 113.3 . 1 37 . 132 LEU H H 8.07 . 1 38 . 132 LEU N N 118.1 . 1 39 . 135 SER H H 7.58 . 1 40 . 135 SER N N 117.9 . 1 41 . 136 GLU H H 8.45 . 1 42 . 136 GLU N N 125 . 1 43 . 138 GLN H H 7.43 . 1 44 . 138 GLN N N 118.2 . 1 45 . 142 GLU H H 7.63 . 1 46 . 142 GLU N N 116.5 . 1 47 . 144 LEU H H 7.58 . 1 48 . 144 LEU N N 117 . 1 49 . 148 SER H H 8.09 . 1 50 . 148 SER N N 116.1 . 1 stop_ save_