data_16503 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ribonuclease A in 40% acetic acid and 8M urea pH 2 ; _BMRB_accession_number 16503 _BMRB_flat_file_name bmr16503.str _Entry_type original _Submission_date 2009-09-18 _Accession_date 2009-09-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Bovine Pancreatic RNase A (recombinant 13C,15N labeled)backbone assignments in 40% acetic acid and 8 M urea pH 2' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'L pez Alonso' Jorge . . 2 Bruix Marta . . 3 Laurents Douglas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 351 "13C chemical shifts" 602 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-26 update BMRB 'delete shift of 65 CYS N 175.1' 2010-02-23 update BMRB 'completed entry citation' 2010-01-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR spectroscopy reveals that RNase A is chiefly denatured in 40% acetic acid: implications for oligomer formation by 3D domain swapping.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20085318 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lopez-Alonso 'Jorge Pedro' . . 2 Bruix Marta . . 3 Font Josep . . 4 Ribo Marc . . 5 Vilanova Maria . . 6 Jimenez 'Maria Angeles' . . 7 Santoro Jorge . . 8 Gonzalez Carlos . . 9 Laurents Douglas V. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 132 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1621 _Page_last 1630 _Year 2010 _Details . loop_ _Keyword 'NMR Spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNase A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNase A' $RNase_A stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNase_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNase_A _Molecular_mass 13684 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function ribonuclease stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; KETAAAKFERQHMDSSTSAA SSSNYCNQMMKSRNLTKDRC KPVNTFVHESLADVQAVCSQ KNVACKNGQTNCYQSYSTMS ITDCRETGSSKYPNCAYKTT QANKHIIVACEGNPYVPVHF DASV ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLU 3 THR 4 ALA 5 ALA 6 ALA 7 LYS 8 PHE 9 GLU 10 ARG 11 GLN 12 HIS 13 MET 14 ASP 15 SER 16 SER 17 THR 18 SER 19 ALA 20 ALA 21 SER 22 SER 23 SER 24 ASN 25 TYR 26 CYS 27 ASN 28 GLN 29 MET 30 MET 31 LYS 32 SER 33 ARG 34 ASN 35 LEU 36 THR 37 LYS 38 ASP 39 ARG 40 CYS 41 LYS 42 PRO 43 VAL 44 ASN 45 THR 46 PHE 47 VAL 48 HIS 49 GLU 50 SER 51 LEU 52 ALA 53 ASP 54 VAL 55 GLN 56 ALA 57 VAL 58 CYS 59 SER 60 GLN 61 LYS 62 ASN 63 VAL 64 ALA 65 CYS 66 LYS 67 ASN 68 GLY 69 GLN 70 THR 71 ASN 72 CYS 73 TYR 74 GLN 75 SER 76 TYR 77 SER 78 THR 79 MET 80 SER 81 ILE 82 THR 83 ASP 84 CYS 85 ARG 86 GLU 87 THR 88 GLY 89 SER 90 SER 91 LYS 92 TYR 93 PRO 94 ASN 95 CYS 96 ALA 97 TYR 98 LYS 99 THR 100 THR 101 GLN 102 ALA 103 ASN 104 LYS 105 HIS 106 ILE 107 ILE 108 VAL 109 ALA 110 CYS 111 GLU 112 GLY 113 ASN 114 PRO 115 TYR 116 VAL 117 PRO 118 VAL 119 HIS 120 PHE 121 ASP 122 ALA 123 SER 124 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 1072 "ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 BMRB 16010 ribonuclease_A 100.00 124 100.00 100.00 1.55e-85 BMRB 16011 ribonuclease_A 100.00 124 100.00 100.00 1.55e-85 BMRB 16742 "Ribonuclease A" 100.00 126 100.00 100.00 9.71e-86 BMRB 17099 ribonuclease 100.00 124 100.00 100.00 1.55e-85 BMRB 17172 RNase_A_C-dimer 100.00 124 100.00 100.00 1.55e-85 BMRB 19065 RnaseA 100.00 124 100.00 100.00 1.55e-85 BMRB 2928 "ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 BMRB 385 "ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 BMRB 4031 "bovine pancreatic ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 BMRB 4032 "bovine pancreatic [C65S,C72S] ribonuclease A" 100.00 124 98.39 98.39 1.78e-83 BMRB 443 "ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1A2W "Crystal Structure Of A 3d Domain-Swapped Dimer Of Bovine Pancreatic Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1A5P "C[40,95]a Variant Of Bovine Pancreatic Ribonuclease A" 100.00 124 98.39 98.39 1.03e-83 PDB 1A5Q "P93a Variant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 1.72e-84 PDB 1AFK "Crystal Structure Of Ribonuclease A In Complex With 5'- Diphosphoadenosine-3'-Phosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1AFL "Ribonuclease A In Complex With 5'-Diphosphoadenosine 2'- Phosphate At 1.7 Angstrom Resolution" 100.00 124 100.00 100.00 1.55e-85 PDB 1AFU "Structure Of Ribonuclease A At 2.0 Angstroms From Monoclinic Crystals" 100.00 124 100.00 100.00 1.55e-85 PDB 1AQP "Ribonuclease A Copper Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 1BEL "Hydrolase Phosphoric Diester, Rna" 100.00 124 100.00 100.00 1.55e-85 PDB 1BZQ "Complex Of A Dromedary Single-Domain Vhh Antibody Fragment With Rnase A" 100.00 124 100.00 100.00 1.55e-85 PDB 1C0B "Bovine Pancreatic Ribonuclease A Desiccated For 2.5 Days" 100.00 128 100.00 100.00 1.50e-85 PDB 1C0C "Bovine Pancreatic Ribonuclease A Desiccated For 4.0 Days" 100.00 128 100.00 100.00 1.50e-85 PDB 1C8W "Thr45gly Variant Of Ribonuclease A" 100.00 124 99.19 99.19 1.61e-84 PDB 1C9V "H12a Variant Of Ribonuclease A" 100.00 124 99.19 99.19 3.53e-84 PDB 1C9X "H119a Variant Of Ribonuclease A" 100.00 124 99.19 99.19 3.53e-84 PDB 1CJQ "X-Ray Crystallographic Studies Of The Denaturation Of The Denaturation Of Ribonuclease S." 81.45 101 100.00 100.00 1.72e-68 PDB 1CJR "X-Ray Crystallographic Studies Of Denaturation In Ribonuclease S" 80.65 101 100.00 100.00 7.51e-68 PDB 1D5D "The Role Of Phenylalanine 8 In The Stabilization Of The S Protein-S Peptide Interaction: Packing And Cavities" 81.45 101 100.00 100.00 1.72e-68 PDB 1D5E "The Role Of Phenylalanine 8 In The Stabilization Of The S Protein-S Peptide Interaction: Packing And Cavities" 81.45 101 100.00 100.00 1.72e-68 PDB 1D5H "Rnase S(F8a). Mutant Ribonuclease S" 81.45 101 100.00 100.00 1.72e-68 PDB 1DFJ "Ribonuclease Inhibitor Complexed With Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1DY5 "Deamidated Derivative Of Bovine Pancreatic Ribonuclease" 100.00 124 99.19 99.19 1.47e-84 PDB 1EIC "Crystal Structure Of F120a Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 3.34e-84 PDB 1EID "Crystal Structure Of F120g Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 3.81e-84 PDB 1EIE "Crystal Structure Of F120w Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 100.00 5.00e-85 PDB 1EOS "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Productive Binding)" 100.00 124 100.00 100.00 1.55e-85 PDB 1EOW "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Non-Productive Binding)" 100.00 124 100.00 100.00 1.55e-85 PDB 1F0V "Crystal Structure Of An Rnase A Dimer Displaying A New Type Of 3d Domain Swapping" 100.00 124 100.00 100.00 1.55e-85 PDB 1FEV "Crystal Structure Of The Ala4aib Mutation In Rnase S" 81.45 101 100.00 100.00 1.72e-68 PDB 1FS3 "Crystal Structure Of Wild-Type Bovine Pancreatic Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1IZP "F46l Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 7.40e-85 PDB 1IZQ "F46v Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 1.44e-84 PDB 1IZR "F46a Mutant Of Bovine Pancreatic Ribonuclease A" 100.00 124 99.19 99.19 3.34e-84 PDB 1J7Z "Osmolyte Stabilization Of Ribonuclease" 83.87 104 100.00 100.00 3.13e-70 PDB 1J80 "Osmolyte Stabilization Of Rnase" 83.87 104 100.00 100.00 3.13e-70 PDB 1J81 "Osmolyte Stabilization Of Rnase" 83.87 104 100.00 100.00 3.13e-70 PDB 1J82 "Osmolyte Stabilization Of Rnase" 83.87 104 100.00 100.00 3.13e-70 PDB 1JN4 "The Crystal Structure Of Ribonuclease A In Complex With 2'- Deoxyuridine 3'-Pyrophosphate (P'-5') Adenosine" 100.00 124 100.00 100.00 1.55e-85 PDB 1JS0 "Crystal Structure Of 3d Domain-Swapped Rnase A Minor Trimer" 100.00 124 100.00 100.00 1.55e-85 PDB 1JVT "Crystal Structure Of Ribonuclease A (Ligand-Free Form)" 100.00 124 100.00 100.00 1.55e-85 PDB 1JVU "Crystal Structure Of Ribonuclease A (Complexed Form)" 100.00 124 100.00 100.00 1.55e-85 PDB 1JVV "Crystal Structure Of Ribonuclease A (Retro-Soaked Form)" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF2 "Atomic Resolution Structure Of Rnase A At Ph 5.2" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF3 "Atomic Resolution Structure Of Rnase A At Ph 5.9" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF4 "Atomic Resolution Structure Of Rnase A At Ph 6.3" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF5 "Atomic Resolution Structure Of Rnase A At Ph 7.1" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF7 "Atomic Resolution Structure Of Rnase A At Ph 8.0" 100.00 124 100.00 100.00 1.55e-85 PDB 1KF8 "Atomic Resolution Structure Of Rnase A At Ph 8.8" 100.00 124 100.00 100.00 1.55e-85 PDB 1KH8 "Structure Of A Cis-Proline (P114) To Glycine Variant Of Ribonuclease A" 100.00 125 99.19 99.19 2.41e-84 PDB 1LSQ "Ribonuclease A With Asn 67 Replaced By A Beta-Aspartyl Residue" 100.00 124 99.19 99.19 1.47e-84 PDB 1O0F "Rnase A In Complex With 3',5'-Adp" 100.00 124 100.00 100.00 1.55e-85 PDB 1O0H "Ribonuclease A In Complex With 5'-Adp" 100.00 124 100.00 100.00 1.55e-85 PDB 1O0M "Ribonuclease A In Complex With Uridine-2'-Phosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1O0N "Ribonuclease A In Complex With Uridine-3'-phosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1O0O "Ribonuclease A In Complex With Adenosine-2',5'-Diphosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1QHC "Crystal Structure Of Ribonuclease A In Complex With 5'- Phospho-2'-Deoxyuridine-3'-Pyrophosphate Adenosine-3'- Phosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RAR "Crystal Structure Of A Fluorescent Derivative Of Rnase A" 99.19 123 100.00 100.00 8.92e-85 PDB 1RAS "Crystal Structure Of A Fluorescent Derivative Of Rnase A" 99.19 123 100.00 100.00 8.92e-85 PDB 1RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 1RBB "The Crystal Structure Of Ribonuclease B At 2.5-Angstroms Resolution" 100.00 124 100.00 100.00 1.55e-85 PDB 1RBC "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBD "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBE "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBF "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBG "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBH "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBI "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" 83.87 104 100.00 100.00 3.13e-70 PDB 1RBJ "Ribonuclease B Complex With D(Tetra-(Deoxy-Adenylate))" 100.00 124 100.00 100.00 1.55e-85 PDB 1RBN "The Structure Of Ribonuclease A Derivative Ii At 2.1 Angstroms Resolution" 100.00 124 100.00 100.00 1.55e-85 PDB 1RBW "Ribonuclease A (E.C.3.1.27.5) With Guanidinium" 100.00 124 100.00 100.00 1.55e-85 PDB 1RBX "Ribonuclease A (E.C.3.1.27.5) Control" 100.00 124 100.00 100.00 1.55e-85 PDB 1RCA "Structure Of The Crystalline Complex Of Deoxycytidylyl-3', 5'-Guanosine (3',5'-Dcpdg) Co-Crystalised With Ribonuclease At 1.9 A" 100.00 124 100.00 100.00 1.55e-85 PDB 1RCN "Crystal Structure Of The Ribonuclease A D(Aptpapapg) Complex : Direct Evidence For Extended Substrate Recognition" 100.00 124 100.00 100.00 1.55e-85 PDB 1RHA "Water Dependent Domain Motion And Flexibility In Ribonuclease A And The Invariant Features In Its Hydration Shell. An X-Ray Stu" 100.00 124 100.00 100.00 1.55e-85 PDB 1RHB "Water Dependent Domain Motion And Flexibility In Ribonuclease A And The Invariant Features In Its Hydration Shell. An X-Ray Stu" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNC "Newly Observed Binding Mode In Pancreatic Ribonuclease" 100.00 124 100.00 100.00 1.55e-85 PDB 1RND "Newly Observed Binding Mode In Pancreatic Ribonuclease" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNM "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 80% Ammonium Sulphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNN "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 8m Sodium Formate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNO "Ribonuclease A Crystallized From 80% Ammonium Sulphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNQ "Ribonuclease A Crystallized From 8m Sodium Formate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNU "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNV "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNW "Recombinant Ribonuclease A Crystallized From 80% Ammonium Sulphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNX "Ribonuclease A Crystallized From 3m Sodium Chloride, 30% Ammonium Sulfate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNY "Ribonuclease A Crystallized From 3m Cesium Chloride, 30% Ammonium Sulfate" 100.00 124 100.00 100.00 1.55e-85 PDB 1RNZ "Ribonuclease A Crystallized From 2.5m Sodium Chloride, 3.3m Sodium Formate" 100.00 124 100.00 100.00 1.55e-85 PDB 1ROB "Structure Of The Crystalline Complex Of Cytidylic Acid (2'- Cmp) With Ribonuclease At 1.6 Angstroms Resolution" 100.00 124 100.00 100.00 1.55e-85 PDB 1RPF "The Structures Of Rnase Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" 100.00 124 100.00 100.00 1.55e-85 PDB 1RPG "Structures Of Rnase A Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" 100.00 124 100.00 100.00 1.55e-85 PDB 1RPH "Structures Of Rnase A Complexed With 3'-Cmp And D(Cpa): Active Site Conformation And Conserved Water Molecules" 100.00 124 100.00 100.00 1.55e-85 PDB 1RSM "The 2-Angstroms Resolution Structure Of A Thermostable Ribonuclease A Chemically Cross-Linked Between Lysine Residues 7 And 41" 100.00 124 100.00 100.00 1.55e-85 PDB 1RTA "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1RTB "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1RUV "Ribonuclease A-Uridine Vanadate Complex: High Resolution Resolution X-Ray Structure (1.3 A)" 100.00 124 100.00 100.00 1.55e-85 PDB 1SRN "The Refined Crystal Structure Of A Fully Active Semisynthetic Ribonuclease At 1.8 Angstroms Resolution" 95.16 118 100.00 100.00 1.64e-80 PDB 1SSA "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" 95.16 118 100.00 100.00 1.64e-80 PDB 1SSB "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" 95.16 118 100.00 100.00 1.64e-80 PDB 1SSC "The 1.6 Angstroms Structure Of A Semisynthetic Ribonuclease Crystallized From Aqueous Ethanol. Comparison With Crystals From Sa" 90.32 112 100.00 100.00 2.88e-75 PDB 1U1B "Structure Of Bovine Pancreatic Ribonuclease A In Complex With 3'-phosphothymidine (3'-5')-pyrophosphate Adenosine 3'-phosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 1W4O "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1W4P "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1W4Q "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 1WBU "Fragment Based Lead Discovery Using Crystallography" 100.00 124 100.00 100.00 1.55e-85 PDB 1XPS "Bovine Ribonuclease A (Phosphate-Free) (93 % Humidity)" 100.00 124 100.00 100.00 1.55e-85 PDB 1XPT "Bovine Ribonuclease A (Phosphate-Free)" 100.00 124 100.00 100.00 1.55e-85 PDB 1YMN "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92l Mutant)" 100.00 124 99.19 99.19 1.22e-84 PDB 1YMR "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92a Mutant)" 100.00 124 99.19 99.19 2.49e-84 PDB 1YMW "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92g Mutant)" 100.00 124 99.19 99.19 3.57e-84 PDB 1Z3L "X-Ray Crystal Structure Of A Mutant Ribonuclease S (F8anb)" 83.87 104 100.00 100.00 3.13e-70 PDB 1Z3M "Crystal Structure Of Mutant Ribonuclease S (F8nva)" 83.87 104 100.00 100.00 3.13e-70 PDB 1Z3P "X-Ray Crystal Structure Of A Mutant Ribonuclease S (M13nva)" 83.87 104 100.00 100.00 3.13e-70 PDB 1Z6D "Ribonuclease A- Imp Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 1Z6S "Ribonuclease A- Amp Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2AAS "High-Resolution Three-Dimensional Structure Of Ribonuclease A In Solution By Nuclear Magnetic Resonance Spectroscopy" 100.00 124 100.00 100.00 1.55e-85 PDB 2BLP "Rnase Before Unattenuated X-Ray Burn" 100.00 124 100.00 100.00 1.55e-85 PDB 2BLZ 'Rnase After A High Dose X-Ray "burn"' 100.00 124 100.00 100.00 1.55e-85 PDB 2E33 "Structural Basis For Selection Of Glycosylated Substrate By Scffbs1 Ubiquitin Ligase" 100.00 124 100.00 100.00 1.55e-85 PDB 2E3W "X-Ray Structure Of Native Rnase A" 100.00 124 100.00 100.00 1.55e-85 PDB 2G4W "Anomalous Substructure Of Ribonuclease A (c2)" 100.00 124 100.00 100.00 1.55e-85 PDB 2G4X "Anomalous Substructure Od Ribonuclease A (P3221)" 100.00 124 100.00 100.00 1.55e-85 PDB 2G8Q "The Crystal Structure Of Rnase A From Monoclinic Crystals At 100 K" 100.00 124 100.00 100.00 1.55e-85 PDB 2G8R "The Crystal Structure Of The Rnase A- 3-N-Piperidine-4- Carboxyl-3-Deoxy-Ara-Uridine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2NUI "X-Ray Structure Of Synthetic [d83a]rnase A" 100.00 124 99.19 99.19 2.69e-84 PDB 2OP2 "Crystal Structure Of Rnase Double-Mutant V43c R85c With Extra Disulphide Bond" 100.00 124 98.39 98.39 8.84e-83 PDB 2OQF "Structure Of A Synthetic, Non-Natural Analogue Of Rnase A: [n71k(Ade), D83a]rnase A" 100.00 124 98.39 98.39 2.23e-83 PDB 2P42 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.8a Resolution: Se3-Mono-2 Crystal Form With Three Se" 100.00 124 100.00 100.00 1.55e-85 PDB 2P43 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.65a Resolution: Se3-Mono-1 Crystal Form With Three S" 100.00 124 100.00 100.00 1.55e-85 PDB 2P44 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.8a Resolution: Se5a-Mono-1 Crystal Form With Five Se" 100.00 124 100.00 100.00 1.55e-85 PDB 2P45 "Complex Of A Camelid Single-domain Vhh Antibody Fragment With Rnase A At 1.1a Resolution: Se5b-ortho-1 Crystal Form With Five S" 100.00 124 100.00 100.00 1.55e-85 PDB 2P46 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.5a Resolution: Se5b-Ortho-2 Crystal Form With Five S" 100.00 124 100.00 100.00 1.55e-85 PDB 2P47 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.5a Resolution: Se5b-Tri Crystal Form With Five Se-Me" 100.00 124 100.00 100.00 1.55e-85 PDB 2P48 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 2.3a Resolution: Se5b-Tetra Crystal Form With Five Se-" 100.00 124 100.00 100.00 1.55e-85 PDB 2P49 "Complex Of A Camelid Single-Domain Vhh Antibody Fragment With Rnase A At 1.4a Resolution: Native Mono_1 Crystal Form" 100.00 124 100.00 100.00 1.55e-85 PDB 2P4A "X-Ray Structure Of A Camelid Affinity Matured Single-Domain Vhh Antibody Fragment In Complex With Rnase A" 100.00 124 100.00 100.00 1.55e-85 PDB 2QCA "A New Crystal Form Of Bovine Pancreatic Rnase A In Complex With 2'- Deoxyguanosine-5'-Monophosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 2RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 2RLN "Thermodynamic And Structural Consequences Of Changing A Sulphur Atom To A Methylene Group In The M13nle Mutation In Ribonucleas" 87.90 109 100.00 100.00 2.37e-73 PDB 2RNS "Refinement Of The Crystal Structure Of Ribonuclease S. Comparison With And Between The Various Ribonuclease A Structures" 100.00 124 100.00 100.00 1.55e-85 PDB 2W5G "Rnase A-5'-Atp Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2W5I "Rnase A-Ap3a Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2W5K "Rnase A-Nadph Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2W5L "Rnase A-Nadp Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2W5M "Rnase A-Pyrophosphate Ion Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 2XOG "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 2XOI "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 3A1R "Neutron Crystal Structure Analysis Of Bovine Pancreatic Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 3D6O "The Rnase A- 5'-Deoxy-5'-N-(Ethyl Isonipecotatyl)uridine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3D6P "Rnase A- 5'-Deoxy-5'-N-Morpholinouridine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3D6Q "The Rnase A- 5'-Deoxy-5'-N-Piperidinouridine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3D7B "The Ribonuclease A- 5'-Deoxy-5'-N-Pyrrolidinouridine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3D8Y "Rnase A- 5'-deoxy-5'-n-piperidinothymidine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3D8Z "Rnase A- 5'-deoxy-5'-n-pyrrolidinothymidine Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3DH5 "Crystal Structure Of Bovine Pancreatic Ribonuclease A (Wild- Type)" 100.00 124 100.00 100.00 1.55e-85 PDB 3DH6 "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V47a)" 100.00 124 99.19 99.19 8.08e-85 PDB 3DI7 "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V54a)" 100.00 124 99.19 99.19 8.08e-85 PDB 3DI8 "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V57a)" 100.00 124 99.19 99.19 8.08e-85 PDB 3DI9 "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I81a)" 100.00 124 99.19 99.19 1.43e-84 PDB 3DIB "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I106a)" 100.00 124 99.19 99.19 1.43e-84 PDB 3DIC "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V108a)" 100.00 124 99.19 99.19 8.08e-85 PDB 3DXG "Ribonuclease A- Uridine 5' Phosphate Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3DXH "Ribonuclease A Uridine 5' Diphosphate Complex" 100.00 124 100.00 100.00 1.55e-85 PDB 3EUX "Crystal Structure Of Crosslinked Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 3EUY "Crystal Structure Of Ribonuclease A In 50% Dioxane" 100.00 124 100.00 100.00 1.55e-85 PDB 3EUZ "Crystal Structure Of Ribonuclease A In 50% Dimethylformamide" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV0 "Crystal Structure Of Ribonuclease A In 70% Dimethyl Sulfoxide" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV1 "Crystal Structure Of Ribonuclease A In 70% Hexanediol" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV2 "Crystal Structure Of Ribonuclease A In 70% Isopropanol" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV3 "Crystal Structure Of Ribonuclease A In 70% T-Butanol" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV4 "Crystal Structure Of Ribonuclease A In 50% Trifluoroethanol" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV5 "Crystal Structure Of Ribonuclease A In 1m Trimethylamine N-Oxide" 100.00 124 100.00 100.00 1.55e-85 PDB 3EV6 "Crystal Structure Of Ribonuclease A In 50% R,S,R-Bisfuranol" 100.00 124 100.00 100.00 1.55e-85 PDB 3FL0 "X-Ray Structure Of The Non Covalent Swapped Form Of The Q28lK31CS32C MUTANT OF BOVINE PANCREATIC RIBONUCLEASE IN Complex With 2" 100.00 124 97.58 97.58 5.18e-83 PDB 3I67 "Ribonuclease A By Lb Nanotemplate Method After High X-Ray Dose On Esrf Id14-2 Beamline" 100.00 124 100.00 100.00 1.55e-85 PDB 3I6F "Ribonuclease A By Classical Hanging Drop Method Before High X-Ray Dose On Esrf Id14-2 Beamline" 100.00 124 100.00 100.00 1.55e-85 PDB 3I6H "Ribonuclease A By Lb Nanotemplate Method Before High X-Ray Dose On Esrf Id14-2 Beamline" 100.00 124 100.00 100.00 1.55e-85 PDB 3I6J "Ribonuclease A By Classical Hanging Drop Method After High X-Ray Dose On Esrf Id14-2 Beamline" 100.00 124 100.00 100.00 1.55e-85 PDB 3I7W "High Pressure Structure Of Wild-Type Rnase A (0.67 Gpa)" 100.00 124 100.00 100.00 1.55e-85 PDB 3I7X "High Pressure Structure Of I106a Rnase A Variant (0.35 Gpa)" 100.00 124 99.19 99.19 1.43e-84 PDB 3I7Y "High Pressure Structure Of I106a Variant Of Rnase A (0.48 Gpa)" 100.00 124 99.19 99.19 1.43e-84 PDB 3JW1 "Crystal Structure Of Bovine Pancreatic Ribonuclease Complexed With Uridine-5'-monophosphate At 1.60 A Resolution" 100.00 124 100.00 100.00 1.55e-85 PDB 3LXO "The Crystal Structure Of Ribonuclease A In Complex With Thymidine-3'- Monophosphate" 100.00 124 100.00 100.00 1.55e-85 PDB 3MWQ "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" 100.00 256 100.00 100.00 1.07e-83 PDB 3MWR "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" 100.00 254 100.00 100.00 9.17e-84 PDB 3MX8 "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" 100.00 252 100.00 100.00 1.34e-83 PDB 3MZQ "Rnase Crystals Grown By The Hanging Drop Method" 100.00 128 100.00 100.00 1.50e-85 PDB 3MZR "Rnase Crystals Grown In Loops/micromounts" 100.00 128 100.00 100.00 1.50e-85 PDB 3OQY "Semi-Synthetic Ribonuclease S: Para-Cyano-Phenylalanine At Position 8" 83.87 104 100.00 100.00 3.13e-70 PDB 3OQZ "Semi-Synthetic Ribonuclease S: Meta-Cyano-Phenylalanine At Position 8" 83.87 104 100.00 100.00 3.13e-70 PDB 3OR0 "Semi-Synthetic Ribonuclease S: Cyanylated Homocysteine At Position 13" 83.87 104 100.00 100.00 3.13e-70 PDB 3QL1 "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" 100.00 124 97.58 98.39 7.26e-83 PDB 3QL2 "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" 100.00 124 97.58 98.39 7.26e-83 PDB 3QSK "5 Histidine Variant Of The Anti-Rnase A Vhh In Complex With Rnase A" 100.00 124 100.00 100.00 1.55e-85 PDB 3RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 3RH1 "X-ray Structure Of A Cis-proline (p114) To Alanine Variant Of Ribonuclease A" 100.00 124 99.19 99.19 1.72e-84 PDB 3RID "X-ray Structure Of The C-terminal Swapped Dimer Of P114a Variant Of Ribonuclease A" 100.00 124 99.19 99.19 1.72e-84 PDB 3RN3 "Segmented Anisotropic Refinement Of Bovine Ribonuclease A By The Application Of The Rigid-Body Tls Model" 100.00 124 100.00 100.00 1.55e-85 PDB 3RSD "Structure Of The D121n Variant Of Ribonuclease A" 100.00 124 99.19 100.00 9.31e-85 PDB 3RSK "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A" 100.00 124 97.58 97.58 9.13e-83 PDB 3RSP "Structure Of The P93g Variant Of Ribonuclease A" 100.00 124 99.19 99.19 2.57e-84 PDB 3SRN "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" 91.13 113 100.00 100.00 5.36e-76 PDB 4AO1 "High Resolution Crystal Structure Of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid" 100.00 124 100.00 100.00 1.55e-85 PDB 4G8V "Crystal Structure Of Ribonuclease A In Complex With 5a" 100.00 124 100.00 100.00 1.55e-85 PDB 4G8Y "Crystal Structure Of Ribonuclease A In Complex With 5b" 100.00 124 100.00 100.00 1.55e-85 PDB 4G90 "Crystal Structure Of Ribonuclease A In Complex With 5e" 100.00 124 100.00 100.00 1.55e-85 PDB 4J5Z "Crystal Structure Of Ribonuclease A In Aqueous Solution: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J60 "Crystal Structure Of Ribonuclease A Soaked In 25% Cyclopentanol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J61 "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclopentanone: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J62 "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J63 "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanone: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J64 "Crystal Structure Of Ribonuclease A Soaked In 40% Dioxane: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J65 "Crystal Structure Of Ribonuclease A Soaked In 40% Dimethylformamide: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J66 "Crystal Structure Of Ribonuclease A Soaked In 25% Dimethyl Sulfoxide: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J67 "Crystal Structure Of Ribonuclease A Soaked In 50% 1,6-hexanediol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J68 "Crystal Structure Of Ribonuclease A Soaked In 40% Isopropanol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J69 "Crystal Structure Of Ribonuclease A Soaked In 50% S,r,s-bisfuranol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4J6A "Crystal Structure Of Ribonuclease A Soaked In 40% 2,2,2- Trifluoroethanol: One Of Twelve In Mscs Set" 100.00 124 100.00 100.00 1.55e-85 PDB 4K7L "Crystal Structure Of Rnase S Variant (k7c/q11c)" 83.87 104 100.00 100.00 3.13e-70 PDB 4L55 "X-ray Structure Of The Adduct Between Bovine Pancreatic Ribonuclease And Aziru" 100.00 124 100.00 100.00 1.55e-85 PDB 4MXF "X-ray Structure Of The Adduct Between Bovine Pancreatic Ribonuclease And Auoxo6, A Dinuclear Gold(iii) Complex With -dioxo Brid" 100.00 124 100.00 100.00 1.55e-85 PDB 4O36 "Semisynthetic Rnase S1-15-h7/11-q10" 83.87 104 100.00 100.00 3.13e-70 PDB 4O37 "Seminsynthetic Rnase S1-15-3pl-7/11" 83.87 104 100.00 100.00 3.13e-70 PDB 4OKF "Rnase S In Complex With An Artificial Peptide" 83.87 104 100.00 100.00 3.13e-70 PDB 4OOH "Structure Of Ribonuclease A At 40c" 100.00 124 100.00 100.00 1.55e-85 PDB 4OT4 "X-ray Structure Of The Adduct Formed Between Cisplatin And Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 4PEQ "Structure Of Bovine Ribonuclease Inhibitor Complexed With Bovine Ribonuclease I" 100.00 124 100.00 100.00 1.55e-85 PDB 4POU "Vhh-metal In Complex With Rnase A" 100.00 124 100.00 100.00 1.55e-85 PDB 4QH3 "X-ray Structure Of The Adduct Formed Between Bovine Pancreatic Ribonuclease And Trans-dimethylamine Methylamine Dichlorido Plat" 100.00 124 100.00 100.00 1.55e-85 PDB 4RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 4RSD "Structure Of The D121a Variant Of Ribonuclease A" 100.00 124 99.19 99.19 2.69e-84 PDB 4RSK "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A Complexed With 3'-Ump" 100.00 124 97.58 97.58 9.13e-83 PDB 4RTE "The X-ray Structure Of Bovine Pancreatic Ribonuclease Incubated In The Presence Of An Excess Of Cisplatin (1:10 Ratio)" 100.00 124 100.00 100.00 1.55e-85 PDB 4SRN "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" 91.13 113 100.00 100.00 5.36e-76 PDB 4YGW "Rnase S In Complex With Stabilized S Peptide" 83.06 103 100.00 100.00 9.97e-70 PDB 5RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 5RSA "Comparison Of Two Independently Refined Models Of Ribonuclease-A" 99.19 124 100.00 100.00 9.21e-85 PDB 6RAT "Effects Of Temperature On Protein Structure And Dynamics: X-Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine " 100.00 124 100.00 100.00 1.55e-85 PDB 6RSA "Nuclear Magnetic Resonance And Neutron Diffraction Studies Of The Complex Of RibonucleaseA With Uridine Vanadate, A Transition-" 100.00 124 100.00 100.00 1.55e-85 PDB 7RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 7RSA "Structure Of Phosphate-Free Ribonuclease A Refined At 1.26 Angstroms" 100.00 124 100.00 100.00 1.55e-85 PDB 8RAT "Effects Of Temperature On Protein Structure And Dynamics: X- Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine" 100.00 124 100.00 100.00 1.55e-85 PDB 8RSA "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 PDB 9RAT "Effects Of Temperature On Protein Structure And Dynamics: X-Ray Crystallographic Studies Of The Protein Ribonuclease-A At Nine " 100.00 124 100.00 100.00 1.55e-85 PDB 9RSA "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" 100.00 124 100.00 100.00 1.55e-85 EMBL CAA30263 "ribonuclease [Bos taurus]" 100.00 150 100.00 100.00 1.59e-86 EMBL CAA33801 "unnamed protein product [Bos taurus]" 100.00 125 100.00 100.00 1.52e-85 EMBL CAB37066 "artificial [synthetic construct]" 100.00 128 100.00 100.00 1.60e-85 GB AAA72269 "ribonuclease S [synthetic construct]" 83.87 105 100.00 100.00 2.60e-70 GB AAA72757 "RNase A [synthetic construct]" 100.00 156 100.00 100.00 2.77e-86 GB AAB35594 "ribonuclease A, partial [Bos taurus]" 100.00 128 100.00 100.00 1.50e-85 GB AAB36134 "pancreatic-type ribonuclease, partial [Bos taurus]" 100.00 124 100.00 100.00 1.55e-85 GB AAI49530 "RNASE1 protein [Bos taurus]" 100.00 150 100.00 100.00 1.59e-86 PIR JC5560 "pancreatic ribonuclease (EC 3.1.27.5) A - Aspergillus niger var. macrosporus" 100.00 124 100.00 100.00 1.55e-85 PIR NRBOB "pancreatic ribonuclease (EC 3.1.27.5) - American bison (tentative sequence)" 100.00 124 100.00 100.00 1.55e-85 PRF 630436A RNase 100.00 124 100.00 100.00 1.55e-85 REF NP_001014408 "ribonuclease pancreatic precursor [Bos taurus]" 100.00 150 100.00 100.00 1.59e-86 REF XP_005211519 "PREDICTED: ribonuclease pancreatic isoform X1 [Bos taurus]" 100.00 150 100.00 100.00 1.59e-86 REF XP_005901936 "PREDICTED: ribonuclease pancreatic [Bos mutus]" 100.00 150 99.19 100.00 5.44e-86 REF XP_010837737 "PREDICTED: ribonuclease pancreatic [Bison bison bison]" 100.00 150 100.00 100.00 1.59e-86 SP P61823 "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" 100.00 150 100.00 100.00 1.59e-86 SP P61824 "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A" 100.00 124 100.00 100.00 1.55e-85 TPE CDG32088 "TPA: ribonuclease A C2 [Bos taurus]" 100.00 215 100.00 100.00 1.98e-86 TPG DAA25470 "TPA: ribonuclease pancreatic precursor [Bos taurus]" 100.00 150 100.00 100.00 1.59e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNase_A cow 9913 Eukaryota Metazoa Bos taurus 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 $RNase_A 'recombinant technology' . Escherichia coli . 'not applicable' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_A 1.7 mM [U-13C] 'acetic acid' 40 % 'natural abundance' H2O 50 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNase_A 1.7 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' urea 8 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'cryoprobe with z-gradients' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_1H-15N_HSQC_side_chain_filtered_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC side chain filtered' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 40% acetic acid (deuterated) (40% v/v acetic acid is equivalent to about 7M acetic acid) ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.024 . M pH 2 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details ; 8 M urea pH 2.5 urea was not deuterated. urea conc. determined by fraction weight and by refractive index. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.005 . M pH 2.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 "Note: the uncertainty for C' is 0.1 ppm; it is higher than the values for CA and CB (whose value is 0.05ppm), because C' assignments are based on only 1 spectrum" loop_ _Software_label $SPARKY $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' '1H-15N HSQC side chain filtered' 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 'RNase A' _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 1 1 LYS HA H 4.152 0.005 1 2 1 1 LYS C C 172.4 0.1 1 3 1 1 LYS CA C 55.78 0.05 1 4 1 1 LYS CB C 33.22 0.05 1 5 2 2 GLU H H 8.715 0.005 1 6 2 2 GLU HA H 4.613 0.005 1 7 2 2 GLU C C 175.7 0.1 1 8 2 2 GLU CA C 55.81 0.05 1 9 2 2 GLU CB C 29.31 0.05 1 10 2 2 GLU N N 122.9 0.08 1 11 3 3 THR H H 8.198 0.005 1 12 3 3 THR HA H 4.468 0.005 1 13 3 3 THR C C 174.4 0.1 1 14 3 3 THR CA C 61.41 0.05 1 15 3 3 THR CB C 70.40 0.05 1 16 3 3 THR N N 115.4 0.08 1 17 4 4 ALA H H 8.417 0.005 1 18 4 4 ALA HA H 4.292 0.005 1 19 4 4 ALA C C 178.0 0.1 1 20 4 4 ALA CA C 53.50 0.05 1 21 4 4 ALA CB C 18.81 0.05 1 22 4 4 ALA N N 125.2 0.08 1 23 5 5 ALA H H 8.148 0.005 1 24 5 5 ALA HA H 4.271 0.005 1 25 5 5 ALA C C 178.2 0.1 1 26 5 5 ALA CA C 53.5 0.05 1 27 5 5 ALA CB C 18.85 0.05 1 28 5 5 ALA N N 121.3 0.08 1 29 6 6 ALA H H 7.96 0.005 1 30 6 6 ALA HA H 4.242 0.005 1 31 6 6 ALA C C 178.6 0.1 1 32 6 6 ALA CA C 53.62 0.05 1 33 6 6 ALA CB C 18.86 0.05 1 34 6 6 ALA N N 121.6 0.08 1 35 7 7 LYS H H 7.979 0.005 1 36 7 7 LYS HA H 4.148 0.005 1 37 7 7 LYS C C 177.1 0.05 1 38 7 7 LYS CA C 57.80 0.05 1 39 7 7 LYS CB C 32.77 0.05 1 40 7 7 LYS N N 118.6 0.08 1 41 8 8 PHE H H 8.017 0.005 1 42 8 8 PHE HA H 4.576 0.005 1 43 8 8 PHE C C 176.6 0.1 1 44 8 8 PHE CA C 58.79 0.05 1 45 8 8 PHE CB C 39.31 0.05 1 46 8 8 PHE N N 118.9 0.08 1 47 9 9 GLU H H 8.137 0.005 1 48 9 9 GLU HA H 4.333 0.005 1 49 9 9 GLU C C 176.7 0.1 1 50 9 9 GLU CA C 56.87 0.05 1 51 9 9 GLU CB C 28.68 0.05 1 52 9 9 GLU N N 120.4 0.08 1 53 10 10 ARG H H 8.181 0.005 1 54 10 10 ARG HA H 4.274 0.005 1 55 10 10 ARG C C 176.8 0.1 1 56 10 10 ARG CA C 57.17 0.05 1 57 10 10 ARG CB C 30.47 0.05 1 58 10 10 ARG N N 120.5 0.08 1 59 11 11 GLN H H 8.172 0.005 1 60 11 11 GLN HA H 4.279 0.005 1 61 11 11 GLN C C 176.2 0.1 1 62 11 11 GLN CA C 56.66 0.05 1 63 11 11 GLN CB C 29.30 0.05 1 64 11 11 GLN N N 119.0 0.08 1 65 12 12 HIS H H 8.276 0.005 1 66 12 12 HIS HA H 4.687 0.005 1 67 12 12 HIS C C 174.5 0.1 1 68 12 12 HIS CA C 55.84 0.05 1 69 12 12 HIS CB C 28.74 0.05 1 70 12 12 HIS N N 117.8 0.08 1 71 13 13 MET H H 8.233 0.005 1 72 13 13 MET HA H 4.490 0.005 1 73 13 13 MET C C 176.0 0.1 1 74 13 13 MET CA C 56.12 0.05 1 75 13 13 MET CB C 33.01 0.05 1 76 13 13 MET N N 120.7 0.08 1 77 14 14 ASP H H 8.416 0.005 1 78 14 14 ASP HA H 4.800 0.005 1 79 14 14 ASP C C 175.3 0.1 1 80 14 14 ASP CA C 53.35 0.05 1 81 14 14 ASP CB C 38.39 0.05 1 82 14 14 ASP N N 119.8 0.08 1 83 15 15 SER H H 8.216 0.005 1 84 15 15 SER HA H 4.513 0.005 1 85 15 15 SER C C 174.8 0.1 1 86 15 15 SER CA C 58.73 0.05 1 87 15 15 SER CB C 63.86 0.05 1 88 15 15 SER N N 115.8 0.08 1 89 16 16 SER H H 8.284 0.005 1 90 16 16 SER HA H 4.570 0.005 1 91 16 16 SER C C 175.1 0.1 1 92 16 16 SER CA C 58.99 0.05 1 93 16 16 SER CB C 63.75 0.05 1 94 16 16 SER N N 117.2 0.08 1 95 17 17 THR H H 8.098 0.005 1 96 17 17 THR HA H 4.436 0.005 1 97 17 17 THR C C 175.0 0.1 1 98 17 17 THR CA C 62.38 0.05 1 99 17 17 THR CB C 69.61 0.05 1 100 17 17 THR N N 114.7 0.08 1 101 18 18 SER H H 8.187 0.005 1 102 18 18 SER HA H 4.526 0.005 1 103 18 18 SER C C 175.0 0.1 1 104 18 18 SER CA C 58.92 0.05 1 105 18 18 SER CB C 63.85 0.05 1 106 18 18 SER N N 117.4 0.08 1 107 19 19 ALA H H 8.252 0.005 1 108 19 19 ALA HA H 4.337 0.005 1 109 19 19 ALA C C 178.1 0.1 1 110 19 19 ALA CA C 53.44 0.05 1 111 19 19 ALA CB C 18.85 0.05 1 112 19 19 ALA N N 125.5 0.08 1 113 20 20 ALA H H 8.099 0.005 1 114 20 20 ALA HA H 4.336 0.005 1 115 20 20 ALA C C 178.3 0.1 1 116 20 20 ALA CA C 53.28 0.05 1 117 20 20 ALA CB C 18.86 0.05 1 118 20 20 ALA N N 121.5 0.08 1 119 21 21 SER H H 8.085 0.005 1 120 21 21 SER HA H 4.500 0.005 1 121 21 21 SER C C 175.4 0.1 1 122 21 21 SER CA C 59.18 0.05 1 123 21 21 SER CB C 63.82 0.05 1 124 21 21 SER N N 113.7 0.08 1 125 22 22 SER H H 8.218 0.005 1 126 22 22 SER HA H 4.520 0.005 1 127 22 22 SER C C 175.6 0.1 1 128 22 22 SER CA C 59.43 0.05 1 129 22 22 SER CB C 63.69 0.05 1 130 22 22 SER N N 117.2 0.08 1 131 23 23 SER H H 8.200 0.005 1 132 23 23 SER HA H 4.469 0.005 1 133 23 23 SER C C 175.0 0.1 1 134 23 23 SER CA C 59.53 0.05 1 135 23 23 SER CB C 63.58 0.05 1 136 23 23 SER N N 117.0 0.08 1 137 24 24 ASN H H 8.272 0.005 1 138 24 24 ASN HA H 4.736 0.005 1 139 24 24 ASN C C 176.1 0.1 1 140 24 24 ASN CA C 54.60 0.05 1 141 24 24 ASN CB C 38.73 0.05 1 142 24 24 ASN N N 120.5 0.08 1 143 25 25 TYR H H 8.192 0.005 1 144 25 25 TYR HA H 4.366 0.005 1 145 25 25 TYR C C 177.1 0.1 1 146 25 25 TYR CA C 60.57 0.05 1 147 25 25 TYR CB C 38.51 0.05 1 148 25 25 TYR N N 120.7 0.08 1 149 26 26 CYS H H 8.396 0.005 1 150 26 26 CYS HA H 4.470 0.005 1 151 26 26 CYS C C 176.0 0.1 1 152 26 26 CYS CA C 57.20 0.05 1 153 26 26 CYS N N 117.4 0.08 1 154 27 27 ASN H H 8.314 0.005 1 155 27 27 ASN C C 177.9 0.1 1 156 27 27 ASN CA C 55.48 0.05 1 157 27 27 ASN CB C 38.43 0.05 1 158 27 27 ASN N N 119.2 0.08 1 159 28 28 GLN H H 8.188 0.005 1 160 28 28 GLN HA H 4.245 0.05 1 161 28 28 GLN C C 177.9 0.1 1 162 28 28 GLN CA C 57.43 0.05 1 163 28 28 GLN CB C 28.32 0.05 1 164 28 28 GLN N N 119.0 0.08 1 165 29 29 MET H H 8.098 0.005 1 166 29 29 MET HA H 4.364 0.005 1 167 29 29 MET C C 177.9 0.1 1 168 29 29 MET CA C 57.34 0.05 1 169 29 29 MET CB C 32.03 0.05 1 170 29 29 MET N N 118.5 0.08 1 171 30 30 MET H H 8.074 0.005 1 172 30 30 MET HA H 4.403 0.005 1 173 30 30 MET C C 177.5 0.1 1 174 30 30 MET CA C 57.06 0.05 1 175 30 30 MET CB C 32.42 0.05 1 176 30 30 MET N N 118.5 0.08 1 177 31 31 LYS H H 7.920 0.005 1 178 31 31 LYS HA H 4.253 0.005 1 179 31 31 LYS C C 177.4 0.1 1 180 31 31 LYS CA C 57.86 0.05 1 181 31 31 LYS CB C 32.66 0.05 1 182 31 31 LYS N N 119.4 0.08 1 183 32 32 SER H H 7.953 0.005 1 184 32 32 SER HA H 4.424 0.005 1 185 32 32 SER C C 175.3 0.1 1 186 32 32 SER CA C 59.47 0.05 1 187 32 32 SER CB C 63.77 0.05 1 188 32 32 SER N N 114.1 0.08 1 189 33 33 ARG H H 8.111 0.005 1 190 33 33 ARG HA H 4.326 0.005 1 191 33 33 ARG C C 176.4 0.1 1 192 33 33 ARG CA C 57.09 0.05 1 193 33 33 ARG CB C 30.39 0.05 1 194 33 33 ARG N N 121.6 0.08 1 195 34 34 ASN H H 8.238 0.005 1 196 34 34 ASN HA H 4.705 0.005 1 197 34 34 ASN C C 175.6 0.1 1 198 34 34 ASN CA C 53.93 0.05 1 199 34 34 ASN CB C 38.59 0.05 1 200 34 34 ASN N N 117.9 0.08 1 201 35 35 LEU H H 8.056 0.005 1 202 35 35 LEU HA H 4.413 0.005 1 203 35 35 LEU C C 177.7 0.1 1 204 35 35 LEU CA C 55.88 0.05 1 205 35 35 LEU CB C 42.20 0.05 1 206 35 35 LEU N N 121.0 0.08 1 207 36 36 THR H H 7.923 0.005 1 208 36 36 THR HA H 4.356 0.005 1 209 36 36 THR C C 175.0 0.1 1 210 36 36 THR CA C 62.65 0.05 1 211 36 36 THR CB C 69.74 0.05 1 212 36 36 THR N N 112.3 0.08 1 213 37 37 LYS H H 8.063 0.005 1 214 37 37 LYS HA H 4.566 0.005 1 215 37 37 LYS C C 176.4 0.1 1 216 37 37 LYS CA C 56.93 0.05 1 217 37 37 LYS CB C 32.69 0.05 1 218 37 37 LYS N N 121.4 0.08 1 219 38 38 ASP H H 8.245 0.005 1 220 38 38 ASP HA H 4.770 0.005 1 221 38 38 ASP C C 175.1 0.1 1 222 38 38 ASP CA C 53.40 0.05 1 223 38 38 ASP CB C 38.51 0.05 1 224 38 38 ASP N N 118.4 0.08 1 225 39 39 ARG H H 8.077 0.005 1 226 39 39 ARG C C 175.8 0.1 1 227 39 39 ARG CA C 56.22 0.05 1 228 39 39 ARG CB C 30.78 0.05 1 229 39 39 ARG N N 120.1 0.08 1 230 40 40 CYS H H 8.206 0.005 1 231 40 40 CYS C C 173.8 0.1 1 232 40 40 CYS CA C 54.91 0.05 1 233 40 40 CYS CB C 40.60 0.05 1 234 40 40 CYS N N 117.8 0.08 1 235 41 41 LYS H H 8.326 0.005 1 236 41 41 LYS HA H 4.680 0.005 1 237 41 41 LYS CA C 54.32 0.05 1 238 41 41 LYS CB C 32.91 0.05 1 239 41 41 LYS N N 123.4 0.08 1 240 42 42 PRO HA H 4.507 0.005 1 241 42 42 PRO C C 176.6 0.1 1 242 42 42 PRO CA C 63.3 0.05 1 243 42 42 PRO CB C 31.96 0.05 1 244 43 43 VAL H H 8.079 0.005 1 245 43 43 VAL HA H 4.161 0.005 1 246 43 43 VAL C C 175.7 0.1 1 247 43 43 VAL CA C 62.2 0.05 1 248 43 43 VAL CB C 33.15 0.05 1 249 43 43 VAL N N 119.1 0.08 1 250 44 44 ASN H H 8.339 0.005 1 251 44 44 ASN HA H 4.811 0.005 1 252 44 44 ASN C C 175.3 0.1 1 253 44 44 ASN CA C 53.34 0.05 1 254 44 44 ASN CB C 38.83 0.05 1 255 44 44 ASN N N 121.2 0.08 1 256 45 45 THR H H 7.964 0.005 1 257 45 45 THR HA H 4.315 0.005 1 258 45 45 THR C C 174.3 0.1 1 259 45 45 THR CA C 62.26 0.05 1 260 45 45 THR CB C 69.59 0.05 1 261 45 45 THR N N 113.8 0.08 1 262 46 46 PHE H H 8.097 0.005 1 263 46 46 PHE HA H 4.663 0.005 1 264 46 46 PHE C C 175.9 0.1 1 265 46 46 PHE CA C 58.18 0.05 1 266 46 46 PHE CB C 39.20 0.05 1 267 46 46 PHE N N 121.3 0.08 1 268 47 47 VAL H H 7.879 0.005 1 269 47 47 VAL HA H 4.050 0.005 1 270 47 47 VAL C C 175.8 0.1 1 271 47 47 VAL CA C 62.74 0.05 1 272 47 47 VAL CB C 32.72 0.05 1 273 47 47 VAL N N 119.9 0.08 1 274 48 48 HIS H H 8.373 0.005 1 275 48 48 HIS HA H 4.719 0.005 1 276 48 48 HIS C C 174.3 0.1 1 277 48 48 HIS CA C 55.66 0.05 1 278 48 48 HIS CB C 28.72 0.05 1 279 48 48 HIS N N 120.7 0.08 1 280 49 49 GLU H H 8.273 0.005 1 281 49 49 GLU HA H 4.465 0.005 1 282 49 49 GLU C C 175.7 0.1 1 283 49 49 GLU CA C 56.03 0.05 1 284 49 49 GLU CB C 29.32 0.05 1 285 49 49 GLU N N 120.9 0.08 1 286 50 50 SER H H 8.305 0.005 1 287 50 50 SER HA H 4.556 0.005 1 288 50 50 SER C C 175.0 0.1 1 289 50 50 SER CA C 58.17 0.05 1 290 50 50 SER CB C 64.35 0.05 1 291 50 50 SER N N 117.0 0.08 1 292 51 51 LEU H H 8.350 0.005 1 293 51 51 LEU HA H 4.269 0.005 1 294 51 51 LEU C C 177.9 0.1 1 295 51 51 LEU CA C 56.70 0.05 1 296 51 51 LEU CB C 41.85 0.05 1 297 51 51 LEU N N 123.2 0.08 1 298 52 52 ALA H H 8.100 0.005 1 299 52 52 ALA HA H 4.258 0.005 1 300 52 52 ALA C C 178.7 0.1 1 301 52 52 ALA CA C 53.86 0.05 1 302 52 52 ALA CB C 18.57 0.05 1 303 52 52 ALA N N 121.3 0.08 1 304 53 53 ASP H H 8.003 0.005 1 305 53 53 ASP HA H 4.653 0.005 1 306 53 53 ASP C C 176.1 0.1 1 307 53 53 ASP CA C 54.46 0.05 1 308 53 53 ASP CB C 38.15 0.05 1 309 53 53 ASP N N 117.0 0.08 1 310 54 54 VAL H H 7.868 0.005 1 311 54 54 VAL HA H 3.874 0.005 1 312 54 54 VAL C C 176.9 0.1 1 313 54 54 VAL CA C 64.88 0.05 1 314 54 54 VAL CB C 32.14 0.05 1 315 54 54 VAL N N 119.7 0.08 1 316 55 55 GLN H H 8.287 0.005 1 317 55 55 GLN HA H 4.369 0.005 1 318 55 55 GLN C C 177.2 0.1 1 319 55 55 GLN CA C 57.79 0.05 1 320 55 55 GLN CB C 28.72 0.05 1 321 55 55 GLN N N 119.7 0.08 1 322 56 56 ALA H H 7.965 0.005 1 323 56 56 ALA HA H 4.322 0.005 1 324 56 56 ALA C C 179.0 0.1 1 325 56 56 ALA CA C 54.05 0.05 1 326 56 56 ALA CB C 18.85 0.05 1 327 56 56 ALA N N 122.6 0.08 1 328 57 57 VAL H H 7.999 0.005 1 329 57 57 VAL HA H 3.988 0.005 1 330 57 57 VAL C C 177.5 0.1 1 331 57 57 VAL CA C 64.34 0.05 1 332 57 57 VAL CB C 32.06 0.05 1 333 57 57 VAL N N 117.4 0.08 1 334 58 58 CYS H H 8.368 0.005 1 335 58 58 CYS C C 175.5 0.1 1 336 58 58 CYS CA C 56.08 0.005 1 337 58 58 CYS N N 118.1 0.08 1 338 59 59 SER H H 8.125 0.005 1 339 59 59 SER HA H 4.525 0.005 1 340 59 59 SER CA C 59.39 0.05 1 341 59 59 SER CB C 64.03 0.05 1 342 59 59 SER N N 115.5 0.08 1 343 60 60 GLN H H 8.06 0.005 1 344 60 60 GLN HA H 4.718 0.005 1 345 60 60 GLN C C 176.2 0.1 1 346 60 60 GLN CA C 56.60 0.05 1 347 60 60 GLN CB C 29.22 0.05 1 348 60 60 GLN N N 121.2 0.08 1 349 61 61 LYS H H 8.157 0.005 1 350 61 61 LYS HA H 4.338 0.005 1 351 61 61 LYS C C 176.3 0.1 1 352 61 61 LYS CA C 56.74 0.05 1 353 61 61 LYS CB C 33.02 0.05 1 354 61 61 LYS N N 120.5 0.08 1 355 62 62 ASN H H 8.243 0.005 1 356 62 62 ASN HA H 4.785 0.005 1 357 62 62 ASN C C 175.3 0.1 1 358 62 62 ASN CA C 53.61 0.05 1 359 62 62 ASN CB C 38.95 0.05 1 360 62 62 ASN N N 118.7 0.08 1 361 63 63 VAL H H 7.938 0.005 1 362 63 63 VAL HA H 4.133 0.005 1 363 63 63 VAL C C 175.7 0.1 1 364 63 63 VAL CA C 62.68 0.05 1 365 63 63 VAL CB C 32.70 0.05 1 366 63 63 VAL N N 119.2 0.08 1 367 64 64 ALA H H 8.138 0.005 1 368 64 64 ALA HA H 4.398 0.005 1 369 64 64 ALA C C 177.6 0.1 1 370 64 64 ALA CA C 52.75 0.05 1 371 64 64 ALA CB C 19.33 0.05 1 372 64 64 ALA N N 125.3 0.08 1 373 65 65 CYS H H 8.140 0.005 1 374 65 65 CYS HA H 4.720 0.005 1 375 65 65 CYS C C 175.1 0.1 1 376 65 65 CYS CA C 55.31 0.05 1 377 65 65 CYS CB C 41.01 0.05 1 378 66 66 LYS H H 8.359 0.005 1 379 66 66 LYS HA H 4.375 0.005 1 380 66 66 LYS C C 176.3 0.1 1 381 66 66 LYS CA C 56.72 0.05 1 382 66 66 LYS CB C 33.12 0.05 1 383 66 66 LYS N N 122.8 0.08 1 384 67 67 ASN H H 8.295 0.005 1 385 67 67 ASN HA H 4.669 0.005 1 386 67 67 ASN C C 175.8 0.1 1 387 67 67 ASN CA C 53.87 0.05 1 388 67 67 ASN CB C 38.35 0.05 1 389 67 67 ASN N N 117.5 0.08 1 390 68 68 GLY H H 8.345 0.005 1 391 68 68 GLY HA2 H 4.018 0.005 1 392 68 68 GLY HA3 H 4.018 0.005 1 393 68 68 GLY C C 174.4 0.1 1 394 68 68 GLY CA C 45.69 0.05 1 395 68 68 GLY N N 109.4 0.08 1 396 69 69 GLN H H 8.069 0.005 1 397 69 69 GLN HA H 4.470 0.005 1 398 69 69 GLN C C 176.5 0.1 1 399 69 69 GLN CA C 56.16 0.05 1 400 69 69 GLN CB C 29.38 0.05 1 401 69 69 GLN N N 119.4 0.08 1 402 70 70 THR H H 8.182 0.005 1 403 70 70 THR HA H 4.328 0.005 1 404 70 70 THR C C 174.6 0.1 1 405 70 70 THR CA C 62.74 0.05 1 406 70 70 THR CB C 69.59 0.05 1 407 70 70 THR N N 113.3 0.08 1 408 71 71 ASN H H 8.336 0.005 1 409 71 71 ASN HA H 4.758 0.005 1 410 71 71 ASN C C 175.0 0.1 1 411 71 71 ASN CA C 53.49 0.05 1 412 71 71 ASN CB C 37.99 0.05 1 413 71 71 ASN N N 118.5 0.08 1 414 72 72 CYS H H 8.080 0.005 1 415 72 72 CYS HA H 4.613 0.005 1 416 72 72 CYS C C 174.1 0.1 1 417 72 72 CYS CA C 56.98 0.05 1 418 72 72 CYS CB C 41.40 0.05 1 419 72 72 CYS N N 117.8 0.08 1 420 73 73 TYR H H 8.112 0.005 1 421 73 73 TYR HA H 4.555 0.005 1 422 73 73 TYR C C 175.7 0.1 1 423 73 73 TYR CA C 58.42 0.05 1 424 73 73 TYR CB C 38.65 0.05 1 425 73 73 TYR N N 120.5 0.08 1 426 74 74 GLN H H 8.122 0.005 1 427 74 74 GLN HA H 4.370 0.005 1 428 74 74 GLN C C 175.7 0.1 1 429 74 74 GLN CA C 56.09 0.05 1 430 74 74 GLN CB C 29.71 0.05 1 431 74 74 GLN N N 120.7 0.08 1 432 75 75 SER H H 8.153 0.005 1 433 75 75 SER HA H 4.49 0.005 1 434 75 75 SER C C 174.2 0.1 1 435 75 75 SER CA C 58.51 0.05 1 436 75 75 SER CB C 63.89 0.05 1 437 75 75 SER N N 116.3 0.08 1 438 76 76 TYR H H 8.108 0.005 1 439 76 76 TYR HA H 4.638 0.005 1 440 76 76 TYR C C 176.1 0.1 1 441 76 76 TYR CA C 58.45 0.05 1 442 76 76 TYR CB C 38.79 0.05 1 443 76 76 TYR N N 120.9 0.08 1 444 77 77 SER H H 8.178 0.005 1 445 77 77 SER HA H 4.542 0.005 1 446 77 77 SER C C 174.9 0.1 1 447 77 77 SER CA C 58.70 0.05 1 448 77 77 SER CB C 63.95 0.05 1 449 77 77 SER N N 115.8 0.08 1 450 78 78 THR H H 8.073 0.005 1 451 78 78 THR HA H 4.400 0.005 1 452 78 78 THR C C 174.9 0.1 1 453 78 78 THR CA C 62.51 0.05 1 454 78 78 THR CB C 69.51 0.05 1 455 78 78 THR N N 115.1 0.08 1 456 79 79 MET H H 8.137 0.005 1 457 79 79 MET HA H 4.473 0.005 1 458 79 79 MET C C 176.1 0.1 1 459 79 79 MET CA C 56.25 0.05 1 460 79 79 MET CB C 33.15 0.05 1 461 79 79 MET N N 121.5 0.08 1 462 80 80 SER H H 8.135 0.005 1 463 80 80 SER HA H 4.528 0.005 1 464 80 80 SER C C 174.8 0.1 1 465 80 80 SER CA C 58.60 0.05 1 466 80 80 SER CB C 63.87 0.05 1 467 80 80 SER N N 115.9 0.08 1 468 81 81 ILE H H 8.032 0.005 1 469 81 81 ILE HA H 4.274 0.005 1 470 81 81 ILE C C 176.5 0.1 1 471 81 81 ILE CA C 62.07 0.05 1 472 81 81 ILE CB C 38.69 0.05 1 473 81 81 ILE N N 121.4 0.08 1 474 82 82 THR H H 7.985 0.005 1 475 82 82 THR HA H 4.367 0.005 1 476 82 82 THR C C 174.7 0.1 1 477 82 82 THR CA C 62.54 0.05 1 478 82 82 THR CB C 69.58 0.05 1 479 82 82 THR N N 115.4 0.08 1 480 83 83 ASP H H 8.230 0.005 1 481 83 83 ASP HA H 4.802 0.005 1 482 83 83 ASP C C 175.4 0.1 1 483 83 83 ASP CA C 53.50 0.05 1 484 83 83 ASP CB C 38.68 0.05 1 485 83 83 ASP N N 120.3 0.08 1 486 84 84 CYS H H 8.282 0.005 1 487 84 84 CYS HA H 4.597 0.005 1 488 84 84 CYS C C 175.0 0.1 1 489 84 84 CYS CA C 54.85 0.05 1 490 84 84 CYS CB C 39.94 0.05 1 491 84 84 CYS N N 118.2 0.08 1 492 85 85 ARG H H 8.233 0.005 1 493 85 85 ARG HA H 4.277 0.005 1 494 85 85 ARG C C 176.2 0.1 1 495 85 85 ARG CA C 54.94 0.05 1 496 85 85 ARG CB C 29.34 0.05 1 497 85 85 ARG N N 120.9 0.08 1 498 86 86 GLU H H 8.239 0.005 1 499 86 86 GLU C C 176.2 0.1 1 500 86 86 GLU CA C 56.00 0.05 1 501 86 86 GLU CB C 29.00 0.05 1 502 86 86 GLU N N 120.2 0.08 1 503 87 87 THR H H 8.107 0.005 1 504 87 87 THR HA H 4.431 0.005 1 505 87 87 THR C C 175.1 0.1 1 506 87 87 THR CA C 62.04 0.05 1 507 87 87 THR CB C 69.96 0.05 1 508 87 87 THR N N 113.7 0.08 1 509 88 88 GLY H H 8.325 0.005 1 510 88 88 GLY HA2 H 4.069 0.005 1 511 88 88 GLY HA3 H 4.069 0.005 1 512 88 88 GLY C C 174.1 0.1 1 513 88 88 GLY CA C 45.57 0.05 1 514 88 88 GLY N N 110.3 0.08 1 515 89 89 SER H H 8.121 0.005 1 516 89 89 SER C C 174.7 0.1 1 517 89 89 SER CA C 58.33 0.05 1 518 89 89 SER CB C 64.14 0.05 1 519 89 89 SER N N 114.7 0.08 1 520 90 90 SER H H 8.208 0.005 1 521 90 90 SER HA H 4.489 0.005 1 522 90 90 SER C C 174.3 0.1 1 523 90 90 SER CA C 58.63 0.05 1 524 90 90 SER CB C 63.77 0.05 1 525 90 90 SER N N 117.2 0.08 1 526 91 91 LYS H H 8.054 0.005 1 527 91 91 LYS HA H 4.300 0.005 1 528 91 91 LYS C C 175.5 0.1 1 529 91 91 LYS CA C 56.41 0.05 1 530 91 91 LYS CB C 33.10 0.05 1 531 91 91 LYS N N 121.6 0.08 1 532 92 92 TYR H H 7.887 0.005 1 533 92 92 TYR HA H 4.888 0.005 1 534 92 92 TYR CA C 55.41 0.1 1 535 92 92 TYR CB C 38.49 0.05 1 536 92 92 TYR N N 119.8 0.08 1 537 93 93 PRO HA H 4.503 0.005 1 538 93 93 PRO C C 176.3 0.1 1 539 93 93 PRO CA C 63.25 0.05 1 540 93 93 PRO CB C 31.99 0.05 1 541 94 94 ASN H H 8.355 0.005 1 542 94 94 ASN HA H 4.816 0.005 1 543 94 94 ASN C C 175.4 0.1 1 544 94 94 ASN CA C 53.32 0.05 1 545 94 94 ASN CB C 38.85 0.05 1 546 94 94 ASN N N 118.3 0.08 1 547 95 95 CYS H H 8.349 0.005 1 548 95 95 CYS HA H 4.749 0.005 1 549 95 95 CYS C C 174.2 0.1 1 550 95 95 CYS CA C 55.40 0.05 1 551 95 95 CYS CB C 40.81 0.05 1 552 95 95 CYS N N 118.6 0.08 1 553 96 96 ALA H H 8.263 0.005 1 554 96 96 ALA HA H 4.393 0.005 1 555 96 96 ALA C C 177.0 0.1 1 556 96 96 ALA CA C 52.72 0.05 1 557 96 96 ALA CB C 19.17 0.05 1 558 96 96 ALA N N 124.5 0.08 1 559 97 97 TYR H H 7.940 0.005 1 560 97 97 TYR HA H 4.622 0.005 1 561 97 97 TYR C C 175.7 0.1 1 562 97 97 TYR CA C 58.06 0.05 1 563 97 97 TYR CB C 38.58 0.05 1 564 97 97 TYR N N 118.9 0.08 1 565 98 98 LYS H H 8.184 0.005 1 566 98 98 LYS C C 176.5 0.1 1 567 98 98 LYS CA C 56.47 0.05 1 568 98 98 LYS N N 119.1 0.08 1 569 99 99 THR H H 8.103 0.005 1 570 99 99 THR HA H 4.436 0.005 1 571 99 99 THR C C 174.8 0.1 1 572 99 99 THR CA C 62.03 0.05 1 573 99 99 THR CB C 69.85 0.05 1 574 99 99 THR N N 114.5 0.08 1 575 100 100 THR H H 8.120 0.005 1 576 100 100 THR HA H 4.537 0.005 1 577 100 100 THR C C 174.8 0.1 1 578 100 100 THR CA C 62.26 0.05 1 579 100 100 THR CB C 69.72 0.05 1 580 100 100 THR N N 115.1 0.08 1 581 101 101 GLN H H 8.269 0.005 1 582 101 101 GLN HA H 4.347 0.005 1 583 101 101 GLN C C 176.0 0.1 1 584 101 101 GLN CA C 56.43 0.05 1 585 101 101 GLN CB C 29.33 0.05 1 586 101 101 GLN N N 121.1 0.08 1 587 102 102 ALA H H 8.168 0.005 1 588 102 102 ALA HA H 4.305 0.005 1 589 102 102 ALA C C 177.5 0.1 1 590 102 102 ALA CA C 53.16 0.05 1 591 102 102 ALA CB C 19.02 0.05 1 592 102 102 ALA N N 123.6 0.08 1 593 103 103 ASN H H 8.170 0.005 1 594 103 103 ASN HA H 4.683 0.005 1 595 103 103 ASN C C 175.4 0.1 1 596 103 103 ASN CA C 53.52 0.05 1 597 103 103 ASN CB C 38.67 0.05 1 598 103 103 ASN N N 116.6 0.08 1 599 104 104 LYS H H 8.076 0.005 1 600 104 104 LYS HA H 4.285 0.005 1 601 104 104 LYS C C 176.3 0.1 1 602 104 104 LYS CA C 56.84 0.05 1 603 104 104 LYS CB C 32.87 0.05 1 604 104 104 LYS N N 120.2 0.08 1 605 105 105 HIS H H 8.334 0.005 1 606 105 105 HIS HA H 4.757 0.005 1 607 105 105 HIS C C 174.2 0.1 1 608 105 105 HIS CA C 55.62 0.05 1 609 105 105 HIS CB C 28.93 0.05 1 610 105 105 HIS N N 117.6 0.08 1 611 106 106 ILE H H 8.009 0.005 1 612 106 106 ILE HA H 4.207 0.005 1 613 106 106 ILE C C 175.5 0.1 1 614 106 106 ILE CA C 61.44 0.05 1 615 106 106 ILE CB C 38.38 0.05 1 616 106 106 ILE N N 120.8 0.08 1 617 107 107 ILE H H 8.095 0.005 1 618 107 107 ILE HA H 4.220 0.005 1 619 107 107 ILE C C 176.0 0.1 1 620 107 107 ILE CA C 61.37 0.05 1 621 107 107 ILE CB C 38.55 0.05 1 622 107 107 ILE N N 124.0 0.08 1 623 108 108 VAL H H 8.119 0.005 1 624 108 108 VAL HA H 4.454 0.005 1 625 108 108 VAL C C 175.5 0.1 1 626 108 108 VAL CA C 62.30 0.05 1 627 108 108 VAL CB C 32.81 0.05 1 628 108 108 VAL N N 123.0 0.08 1 629 109 109 ALA H H 8.183 0.005 1 630 109 109 ALA HA H 4.498 0.005 1 631 109 109 ALA C C 177.5 0.1 1 632 109 109 ALA CA C 52.44 0.05 1 633 109 109 ALA CB C 19.46 0.05 1 634 109 109 ALA N N 126.1 0.08 1 635 110 110 CYS H H 8.291 0.005 1 636 110 110 CYS HA H 4.745 0.005 1 637 110 110 CYS C C 174.7 0.1 1 638 110 110 CYS CA C 53.92 0.05 1 639 110 110 CYS CB C 38.63 0.05 1 640 110 110 CYS N N 117.2 0.08 1 641 111 111 GLU H H 8.057 0.005 1 642 111 111 GLU HA H 4.462 0.005 1 643 111 111 GLU C C 176.0 0.1 1 644 111 111 GLU CA C 55.95 0.05 1 645 111 111 GLU CB C 29.14 0.05 1 646 111 111 GLU N N 121.2 0.08 1 647 112 112 GLY H H 8.213 0.005 1 648 112 112 GLY HA2 H 3.982 0.005 1 649 112 112 GLY HA3 H 3.982 0.005 1 650 112 112 GLY C C 173.0 0.1 1 651 112 112 GLY CA C 45.08 0.05 1 652 112 112 GLY N N 108.7 0.08 1 653 113 113 ASN H H 8.145 0.005 1 654 113 113 ASN HA H 5.031 0.005 1 655 113 113 ASN CA C 51.03 0.05 1 656 113 113 ASN CB C 39.26 0.05 1 657 113 113 ASN N N 118.8 0.08 1 658 114 114 PRO HA H 4.468 0.005 1 659 114 114 PRO C C 176.1 0.1 1 660 114 114 PRO CA C 63.40 0.05 1 661 114 114 PRO CB C 31.97 0.05 1 662 115 115 TYR H H 8.067 0.005 1 663 115 115 TYR HA H 4.583 0.005 1 664 115 115 TYR C C 175.1 0.1 1 665 115 115 TYR CA C 57.94 0.05 1 666 115 115 TYR CB C 38.52 0.05 1 667 115 115 TYR N N 119.3 0.08 1 668 116 116 VAL H H 7.646 0.005 1 669 116 116 VAL HA H 4.407 0.005 1 670 116 116 VAL CA C 59.36 0.05 1 671 116 116 VAL CB C 33.15 0.05 1 672 116 116 VAL N N 122.7 0.08 1 673 117 117 PRO HA H 4.445 0.005 1 674 117 117 PRO C C 176.3 0.1 1 675 117 117 PRO CA C 63.03 0.05 1 676 117 117 PRO CB C 31.91 0.05 1 677 118 118 VAL H H 7.853 0.005 1 678 118 118 VAL HA H 4.103 0.005 1 679 118 118 VAL C C 175.6 0.1 1 680 118 118 VAL CA C 62.05 0.05 1 681 118 118 VAL CB C 33.02 0.05 1 682 118 118 VAL N N 119.0 0.08 1 683 119 119 HIS H H 8.264 0.005 1 684 119 119 HIS HA H 4.793 0.005 1 685 119 119 HIS C C 173.6 0.1 1 686 119 119 HIS CA C 54.80 0.05 1 687 119 119 HIS CB C 29.33 0.05 1 688 119 119 HIS N N 120.8 0.08 1 689 120 120 PHE H H 8.227 0.005 1 690 120 120 PHE HA H 4.648 0.005 1 691 120 120 PHE C C 175.1 0.1 1 692 120 120 PHE CA C 57.75 0.05 1 693 120 120 PHE CB C 39.89 0.05 1 694 120 120 PHE N N 121.8 0.08 1 695 121 121 ASP H H 8.332 0.005 1 696 121 121 ASP HA H 4.725 0.005 1 697 121 121 ASP C C 174.2 0.1 1 698 121 121 ASP CA C 52.74 0.05 1 699 121 121 ASP CB C 38.31 0.05 1 700 121 121 ASP N N 120.8 0.08 1 701 122 122 ALA H H 8.078 0.005 1 702 122 122 ALA HA H 4.391 0.005 1 703 122 122 ALA CA C 52.51 0.05 1 704 122 122 ALA CB C 19.44 0.05 1 705 122 122 ALA N N 124.2 0.08 1 706 123 123 SER H H 8.102 0.005 1 707 123 123 SER HA H 4.569 0.005 1 708 123 123 SER C C 174.0 0.1 1 709 123 123 SER CA C 58.29 0.05 1 710 123 123 SER CB C 63.96 0.05 1 711 123 123 SER N N 114.4 0.08 1 712 124 124 VAL H H 7.847 0.005 1 713 124 124 VAL HA H 4.351 0.005 1 714 124 124 VAL CA C 61.07 0.05 1 715 124 124 VAL CB C 32.91 0.05 1 716 124 124 VAL N N 119.4 0.08 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' 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 'RNase A' _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 1 1 LYS CA C 55.83 0.05 1 2 1 1 LYS CB C 33.46 0.05 1 3 2 2 GLU H H 8.950 0.005 1 4 2 2 GLU CA C 55.87 0.05 1 5 2 2 GLU CB C 29.25 0.05 1 6 2 2 GLU N N 123.9 0.08 1 7 3 3 THR H H 8.469 0.005 1 8 3 3 THR CA C 61.82 0.05 1 9 3 3 THR CB C 70.24 0.05 1 10 3 3 THR N N 117.0 0.08 1 11 4 4 ALA H H 8.421 0.005 1 12 4 4 ALA CA C 52.48 0.05 1 13 4 4 ALA CB C 19.50 0.05 1 14 4 4 ALA N N 126.6 0.08 1 15 5 5 ALA H H 8.285 0.005 1 16 5 5 ALA CA C 52.47 0.05 1 17 5 5 ALA CB C 19.40 0.05 1 18 5 5 ALA N N 123.6 0.08 1 19 6 6 ALA H H 8.231 0.005 1 20 6 6 ALA CA C 52.54 0.05 1 21 6 6 ALA CB C 19.36 0.05 1 22 6 6 ALA N N 123.6 0.08 1 23 7 7 LYS H H 8.249 0.005 1 24 7 7 LYS CA C 56.61 0.05 1 25 7 7 LYS CB C 33.39 0.05 1 26 7 7 LYS N N 120.7 0.08 1 27 8 8 PHE H H 8.261 0.005 1 28 8 8 PHE CA C 57.64 0.05 1 29 8 8 PHE CB C 39.80 0.05 1 30 8 8 PHE N N 120.8 0.08 1 31 9 9 GLU H H 8.340 0.005 1 32 9 9 GLU CA C 55.54 0.05 1 33 9 9 GLU CB C 29.38 0.05 1 34 9 9 GLU N N 122.5 0.08 1 35 10 10 ARG H H 8.431 0.005 1 36 10 10 ARG CA C 56.41 0.05 1 37 10 10 ARG CB C 30.96 0.05 1 38 10 10 ARG N N 122.9 0.08 1 39 11 11 GLN H H 8.562 0.005 1 40 11 11 GLN CA C 56.06 0.05 1 41 11 11 GLN CB C 29.85 0.05 1 42 11 11 GLN N N 121.7 0.08 1 43 12 12 HIS H H 8.748 0.005 1 44 12 12 HIS CA C 55.46 0.05 1 45 12 12 HIS CB C 29.06 0.05 1 46 12 12 HIS N N 120.3 0.08 1 47 13 13 MET H H 8.606 0.005 1 48 13 13 MET CA C 55.50 0.05 1 49 13 13 MET CB C 33.35 0.05 1 50 13 13 MET N N 122.7 0.08 1 51 14 14 ASP H H 8.763 0.005 1 52 14 14 ASP CA C 53.04 0.05 1 53 14 14 ASP CB C 38.42 0.05 1 54 14 14 ASP N N 121.2 0.08 1 55 15 15 SER H H 8.436 0.005 1 56 15 15 SER CA C 58.46 0.05 1 57 15 15 SER CB C 64.03 0.05 1 58 15 15 SER N N 116.6 0.08 1 59 16 16 SER H H 8.370 0.005 1 60 16 16 SER CA C 58.58 0.05 1 61 16 16 SER CB C 63.96 0.05 1 62 16 16 SER N N 117.5 0.08 1 63 17 17 THR H H 8.259 0.005 1 64 17 17 THR CA C 61.86 0.05 1 65 17 17 THR CB C 69.95 0.05 1 66 17 17 THR N N 115.3 0.08 1 67 18 18 SER H H 8.328 0.005 1 68 18 18 SER CA C 58.40 0.05 1 69 18 18 SER CB C 64.08 0.05 1 70 18 18 SER N N 117.9 0.08 1 71 19 19 ALA H H 8.367 0.005 1 72 19 19 ALA CA C 52.68 0.05 1 73 19 19 ALA CB C 19.34 0.05 1 74 19 19 ALA N N 126.2 0.08 1 75 20 20 ALA H H 8.263 0.005 1 76 20 20 ALA CA C 52.01 0.05 1 77 20 20 ALA CB C 19.06 0.05 1 78 20 20 ALA N N 123.1 0.08 1 79 21 21 SER H H 8.800 0.05 1 80 21 21 SER CA C 58.44 0.05 1 81 21 21 SER CB C 63.98 0.05 1 82 21 21 SER N N 117.8 0.08 1 83 22 22 SER H H 8.477 0.005 1 84 22 22 SER CA C 58.54 0.05 1 85 22 22 SER N N 117.8 0.08 1 86 23 23 SER CA C 58.59 0.05 1 87 23 23 SER CB C 63.94 0.05 1 88 24 24 ASN H H 8.501 0.005 1 89 24 24 ASN CA C 53.34 0.05 1 90 24 24 ASN CB C 38.98 0.05 1 91 24 24 ASN N N 120.8 0.08 1 92 25 25 TYR H H 8.226 0.005 1 93 25 25 TYR CA C 59.00 0.05 1 94 25 25 TYR CB C 38.54 0.05 1 95 25 25 TYR N N 121.0 0.08 1 96 26 26 CYS H H 8.465 0.005 1 97 26 26 CYS CA C 55.60 0.05 1 98 26 26 CYS CB C 40.28 0.05 1 99 26 26 CYS N N 118.9 0.08 1 100 27 27 ASN H H 8.583 0.005 1 101 27 27 ASN CA C 53.83 0.05 1 102 27 27 ASN CB C 38.88 0.05 1 103 27 27 ASN N N 120.3 0.08 1 104 28 28 GLN H H 8.326 0.005 1 105 28 28 GLN CA C 56.47 0.05 1 106 28 28 GLN CB C 29.53 0.05 1 107 28 28 GLN N N 120.5 0.08 1 108 29 29 MET H H 8.342 0.005 1 109 29 29 MET CA C 56.03 0.05 1 110 29 29 MET CB C 32.99 0.05 1 111 29 29 MET N N 120.7 0.08 1 112 30 30 MET H H 8.362 0.005 1 113 30 30 MET CA C 55.86 0.05 1 114 30 30 MET CB C 33.09 0.05 1 115 30 30 MET N N 121.3 0.08 1 116 31 31 LYS H H 8.409 0.005 1 117 31 31 LYS CA C 56.65 0.05 1 118 31 31 LYS CB C 33.30 0.05 1 119 31 31 LYS N N 122.6 0.08 1 120 32 32 SER H H 8.346 0.005 1 121 32 32 SER CA C 58.42 0.05 1 122 32 32 SER CB C 64.06 0.05 1 123 32 32 SER N N 116.7 0.08 1 124 33 33 ARG H H 8.497 0.005 1 125 33 33 ARG CA C 56.40 0.05 1 126 33 33 ARG CB C 31.08 0.05 1 127 33 33 ARG N N 122.9 0.08 1 128 34 34 ASN H H 8.493 0.005 1 129 34 34 ASN CA C 53.27 0.05 1 130 34 34 ASN CB C 38.96 0.05 1 131 34 34 ASN N N 119.4 0.08 1 132 35 35 LEU H H 8.331 0.005 1 133 35 35 LEU CA C 55.38 0.05 1 134 35 35 LEU CB C 42.45 0.05 1 135 35 35 LEU N N 123.0 0.08 1 136 36 36 THR H H 8.206 0.005 1 137 36 36 THR CA C 62.29 0.05 1 138 36 36 THR CB C 69.92 0.05 1 139 36 36 THR N N 114.9 0.08 1 140 37 37 LYS H H 8.342 0.005 1 141 37 37 LYS CA C 56.52 0.05 1 142 37 37 LYS CB C 33.28 0.05 1 143 37 37 LYS N N 123.4 0.08 1 144 38 38 ASP H H 8.489 0.005 1 145 38 38 ASP CA C 53.01 0.05 1 146 38 38 ASP CB C 38.46 0.05 1 147 38 38 ASP N N 120.0 0.08 1 148 39 39 ARG H H 8.443 0.005 1 149 39 39 ARG CA C 56.28 0.05 1 150 39 39 ARG CB C 31.20 0.05 1 151 39 39 ARG N N 121.9 0.08 1 152 40 40 CYS H H 8.447 0.005 1 153 40 40 CYS CA C 54.95 0.05 1 154 40 40 CYS CB C 40.92 0.05 1 155 40 40 CYS N N 119.5 0.08 1 156 41 41 LYS H H 8.763 0.005 1 157 41 41 LYS CA C 54.61 0.05 1 158 41 41 LYS CB C 32.96 0.05 1 159 41 41 LYS N N 124.8 0.08 1 160 42 42 PRO CA C 63.14 0.05 1 161 42 42 PRO CB C 32.22 0.05 1 162 43 43 VAL H H 8.302 0.005 1 163 43 43 VAL CA C 62.17 0.05 1 164 43 43 VAL CB C 33.22 0.05 1 165 43 43 VAL N N 120.3 0.08 1 166 44 44 ASN H H 8.697 0.005 1 167 44 44 ASN CA C 53.10 0.05 1 168 44 44 ASN CB C 39.17 0.05 1 169 44 44 ASN N N 122.3 0.08 1 170 45 45 THR H H 8.119 0.005 1 171 45 45 THR CA C 61.97 0.05 1 172 45 45 THR CB C 69.77 0.05 1 173 45 45 THR N N 114.5 0.08 1 174 46 46 PHE H H 8.262 0.005 1 175 46 46 PHE CA C 57.70 0.05 1 176 46 46 PHE CB C 39.58 0.05 1 177 46 46 PHE N N 122.1 0.08 1 178 47 47 VAL H H 8.046 0.005 1 179 47 47 VAL CA C 62.36 0.05 1 180 47 47 VAL CB C 33.02 0.05 1 181 47 47 VAL N N 121.4 0.08 1 182 48 48 HIS H H 8.676 0.005 1 183 48 48 HIS CA C 55.28 0.05 1 184 48 48 HIS CB C 28.92 0.05 1 185 48 48 HIS N N 122.6 0.08 1 186 49 49 GLU H H 8.569 0.005 1 187 49 49 GLU CA C 55.63 0.05 1 188 49 49 GLU CB C 29.44 0.05 1 189 49 49 GLU N N 122.5 0.08 1 190 50 50 SER H H 8.469 0.005 1 191 50 50 SER CA C 58.21 0.05 1 192 50 50 SER CB C 63.95 0.05 1 193 50 50 SER N N 117.9 0.08 1 194 51 51 LEU H H 8.439 0.005 1 195 51 51 LEU CA C 55.39 0.05 1 196 51 51 LEU CB C 42.36 0.05 1 197 51 51 LEU N N 124.7 0.08 1 198 52 52 ALA H H 8.304 0.005 1 199 52 52 ALA CA C 52.79 0.05 1 200 52 52 ALA CB C 19.33 0.05 1 201 52 52 ALA N N 123.5 0.08 1 202 53 53 ASP H H 8.343 0.005 1 203 53 53 ASP CA C 53.08 0.05 1 204 53 53 ASP CB C 38.12 0.05 1 205 53 53 ASP N N 117.8 0.08 1 206 54 54 VAL H H 8.085 0.005 1 207 54 54 VAL CA C 62.70 0.05 1 208 54 54 VAL CB C 32.88 0.05 1 209 54 54 VAL N N 120.1 0.08 1 210 55 55 GLN H H 8.417 0.005 1 211 55 55 GLN CA C 56.12 0.05 1 212 55 55 GLN CB C 29.63 0.05 1 213 55 55 GLN N N 123.1 0.08 1 214 56 56 ALA H H 8.275 0.005 1 215 56 56 ALA CA C 52.63 0.05 1 216 56 56 ALA CB C 19.58 0.05 1 217 56 56 ALA N N 125.3 0.08 1 218 57 57 VAL H H 8.163 0.005 1 219 57 57 VAL CA C 62.52 0.05 1 220 57 57 VAL CB C 33.12 0.05 1 221 57 57 VAL N N 118.9 0.08 1 222 58 58 CYS H H 8.512 0.005 1 223 58 58 CYS CA C 55.31 0.05 1 224 58 58 CYS CB C 40.84 0.05 1 225 58 58 CYS N N 121.4 0.08 1 226 59 59 SER CA C 58.61 0.05 1 227 60 60 GLN H H 8.515 0.005 1 228 60 60 GLN CA C 55.84 0.05 1 229 60 60 GLN CB C 29.80 0.05 1 230 60 60 GLN N N 123.0 0.08 1 231 61 61 LYS H H 8.413 0.005 1 232 61 61 LYS CA C 56.45 0.05 1 233 61 61 LYS CB C 33.53 0.05 1 234 61 61 LYS N N 122.1 0.08 1 235 62 62 ASN H H 8.431 0.005 1 236 62 62 ASN CA C 53.25 0.05 1 237 62 62 ASN CB C 39.10 0.05 1 238 62 62 ASN N N 120.5 0.08 1 239 63 63 VAL H H 8.059 0.005 1 240 63 63 VAL CA C 62.06 0.05 1 241 63 63 VAL CB C 33.05 0.05 1 242 63 63 VAL N N 120.4 0.08 1 243 64 64 ALA H H 8.391 0.005 1 244 64 64 ALA CA C 52.44 0.05 1 245 64 64 ALA CB C 19.63 0.05 1 246 64 64 ALA N N 127.1 0.08 1 247 65 65 CYS H H 8.384 0.005 1 248 65 65 CYS CA C 55.03 0.05 1 249 65 65 CYS CB C 40.87 0.05 1 250 66 66 LYS H H 8.84 0.005 1 251 66 66 LYS CA C 56.68 0.05 1 252 66 66 LYS CB C 33.52 0.05 1 253 66 66 LYS N N 124.1 0.08 1 254 67 67 ASN H H 8.597 0.005 1 255 67 67 ASN CA C 54.28 0.05 1 256 67 67 ASN CB C 38.36 0.05 1 257 67 67 ASN N N 118.8 0.08 1 258 68 68 GLY H H 8.546 0.005 1 259 68 68 GLY CA C 45.66 0.05 1 260 68 68 GLY N N 110.2 0.08 1 261 69 69 GLN H H 7.951 0.005 1 262 69 69 GLN CA C 56.15 0.05 1 263 69 69 GLN CB C 29.66 0.05 1 264 69 69 GLN N N 119.8 0.08 1 265 70 70 THR H H 8.355 0.005 1 266 70 70 THR CA C 62.69 0.05 1 267 70 70 THR CB C 69.71 0.05 1 268 70 70 THR N N 114.0 0.08 1 269 71 71 ASN H H 8.436 0.005 1 270 71 71 ASN CA C 53.32 0.05 1 271 71 71 ASN CB C 38.33 0.05 1 272 71 71 ASN N N 119.0 0.08 1 273 72 72 CYS H H 8.148 0.005 1 274 72 72 CYS CA C 56.49 0.05 1 275 72 72 CYS CB C 41.41 0.05 1 276 72 72 CYS N N 117.8 0.08 1 277 73 73 TYR H H 8.345 0.005 1 278 73 73 TYR CA C 57.94 0.05 1 279 73 73 TYR CB C 39.00 0.05 1 280 73 73 TYR N N 122.0 0.08 1 281 74 74 GLN H H 8.351 0.005 1 282 74 74 GLN CA C 55.70 0.05 1 283 74 74 GLN CB C 29.98 0.05 1 284 74 74 GLN N N 122.2 0.08 1 285 75 75 SER H H 8.338 0.005 1 286 75 75 SER CA C 58.25 0.05 1 287 75 75 SER CB C 64.00 0.05 1 288 75 75 SER N N 117.4 0.08 1 289 76 76 TYR H H 8.287 0.005 1 290 76 76 TYR CA C 57.97 0.05 1 291 76 76 TYR CB C 39.23 0.05 1 292 76 76 TYR N N 122.1 0.08 1 293 77 77 SER H H 8.373 0.005 1 294 77 77 SER CA C 58.16 0.05 1 295 77 77 SER CB C 64.28 0.05 1 296 77 77 SER N N 117.1 0.08 1 297 78 78 THR H H 8.309 0.005 1 298 78 78 THR CA C 61.97 0.05 1 299 78 78 THR CB C 69.84 0.05 1 300 78 78 THR N N 115.8 0.08 1 301 79 79 MET H H 8.339 0.005 1 302 79 79 MET CA C 55.73 0.05 1 303 79 79 MET CB C 33.47 0.05 1 304 79 79 MET N N 122.3 0.08 1 305 80 80 SER H H 8.397 0.005 1 306 80 80 SER CA C 58.37 0.05 1 307 80 80 SER CB C 63.97 0.05 1 308 80 80 SER N N 117.5 0.08 1 309 81 81 ILE CA C 61.50 0.05 1 310 81 81 ILE CB C 39.01 0.05 1 311 82 82 THR H H 8.212 0.005 1 312 82 82 THR CA C 61.87 0.05 1 313 82 82 THR CB C 69.92 0.05 1 314 82 82 THR N N 117.1 0.08 1 315 83 83 ASP H H 8.450 0.005 1 316 83 83 ASP CA C 53.04 0.05 1 317 83 83 ASP CB C 38.41 0.05 1 318 83 83 ASP N N 121.3 0.08 1 319 84 84 CYS H H 8.473 0.005 1 320 84 84 CYS CA C 55.26 0.05 1 321 84 84 CYS CB C 40.49 0.05 1 322 84 84 CYS N N 119.3 0.08 1 323 85 85 ARG CA C 55.79 0.05 1 324 85 85 ARG CB C 29.17 0.05 1 325 86 86 GLU CA C 55.79 0.05 1 326 86 86 GLU CB C 29.17 0.05 1 327 87 87 THR H H 8.309 0.005 1 328 87 87 THR CA C 61.92 0.05 1 329 87 87 THR CB C 70.15 0.05 1 330 87 87 THR N N 114.9 0.08 1 331 88 88 GLY H H 8.433 0.005 1 332 88 88 GLY CA C 45.40 0.05 1 333 88 88 GLY N N 110.8 0.08 1 334 89 89 SER H H 8.280 0.005 1 335 89 89 SER CA C 58.33 0.05 1 336 89 89 SER CB C 64.13 0.05 1 337 89 89 SER N N 115.3 0.08 1 338 90 90 SER H H 8.454 0.005 1 339 90 90 SER CA C 58.46 0.05 1 340 90 90 SER CB C 63.86 0.05 1 341 90 90 SER N N 118.0 0.08 1 342 91 91 LYS H H 8.303 0.005 1 343 91 91 LYS CA C 56.90 0.05 1 344 91 91 LYS CB C 33.37 0.05 1 345 91 91 LYS N N 123.1 0.08 1 346 92 92 TYR H H 8.156 0.005 1 347 92 92 TYR CA C 55.42 0.05 1 348 92 92 TYR CB C 38.58 0.05 1 349 92 92 TYR N N 120.6 0.08 1 350 93 93 PRO CA C 63.17 0.05 1 351 93 93 PRO CB C 32.31 0.05 1 352 94 94 ASN H H 8.553 0.005 1 353 94 94 ASN CA C 53.30 0.05 1 354 94 94 ASN CB C 38.97 0.05 1 355 94 94 ASN N N 119.1 0.08 1 356 95 95 CYS CA C 55.16 0.05 1 357 96 96 ALA H H 8.423 0.005 1 358 96 96 ALA CA C 52.56 0.05 1 359 96 96 ALA CB C 19.49 0.05 1 360 96 96 ALA N N 125.2 0.08 1 361 97 97 TYR H H 8.143 0.005 1 362 97 97 TYR CA C 57.66 0.05 1 363 97 97 TYR CB C 39.26 0.05 1 364 97 97 TYR N N 120.1 0.08 1 365 98 98 LYS H H 8.409 0.005 1 366 98 98 LYS CA C 56.25 0.05 1 367 98 98 LYS CB C 33.63 0.05 1 368 98 98 LYS N N 123.5 0.08 1 369 99 99 THR H H 8.315 0.005 1 370 99 99 THR CA C 61.71 0.05 1 371 99 99 THR N N 115.5 0.08 1 372 100 100 THR H H 8.277 0.005 1 373 100 100 THR CA C 61.81 0.05 1 374 100 100 THR CB C 70.06 0.05 1 375 100 100 THR N N 115.7 0.08 1 376 101 101 GLN H H 8.277 0.005 1 377 101 101 GLN CA C 55.93 0.05 1 378 101 101 GLN CB C 29.72 0.05 1 379 101 101 GLN N N 122.5 0.08 1 380 102 102 ALA H H 8.369 0.005 1 381 102 102 ALA CA C 52.72 0.05 1 382 102 102 ALA CB C 19.41 0.05 1 383 102 102 ALA N N 125.1 0.08 1 384 103 103 ASN H H 8.402 0.005 1 385 103 103 ASN CA C 53.17 0.05 1 386 103 103 ASN CB C 39.00 0.05 1 387 103 103 ASN N N 118.0 0.08 1 388 104 104 LYS H H 8.296 0.005 1 389 104 104 LYS CA C 56.47 0.05 1 390 104 104 LYS CB C 33.36 0.05 1 391 104 104 LYS N N 121.6 0.08 1 392 105 105 HIS H H 8.664 0.005 1 393 105 105 HIS CA C 55.19 0.05 1 394 105 105 HIS CB C 29.11 0.05 1 395 105 105 HIS N N 119.9 0.08 1 396 106 106 ILE H H 8.304 0.005 1 397 106 106 ILE CA C 61.01 0.05 1 398 106 106 ILE CB C 38.99 0.05 1 399 106 106 ILE N N 123.0 0.08 1 400 107 107 ILE H H 8.461 0.005 1 401 107 107 ILE CA C 60.81 0.05 1 402 107 107 ILE CB C 38.66 0.05 1 403 107 107 ILE N N 126.4 0.08 1 404 108 108 VAL H H 8.405 0.005 1 405 108 108 VAL CA C 62.00 0.05 1 406 108 108 VAL CB C 33.02 0.05 1 407 108 108 VAL N N 125.7 0.08 1 408 109 109 ALA H H 8.443 0.005 1 409 109 109 ALA CA C 52.25 0.05 1 410 109 109 ALA CB C 19.64 0.05 1 411 109 109 ALA N N 127.7 0.08 1 412 110 110 CYS H H 8.487 0.005 1 413 110 110 CYS CA C 55.22 0.05 1 414 110 110 CYS CB C 40.79 0.05 1 415 110 110 CYS N N 118.6 0.08 1 416 111 111 GLU CA C 55.89 0.05 1 417 111 111 GLU CB C 29.34 0.05 1 418 112 112 GLY H H 8.428 0.005 1 419 112 112 GLY CA C 45.00 0.05 1 420 112 112 GLY N N 109.8 0.08 1 421 113 113 ASN H H 8.433 0.005 1 422 113 113 ASN CA C 51.28 0.05 1 423 113 113 ASN CB C 39.06 0.05 1 424 113 113 ASN N N 119.5 0.08 1 425 114 114 PRO CA C 63.37 0.05 1 426 114 114 PRO CB C 32.21 0.05 1 427 115 115 TYR H H 8.289 0.005 1 428 115 115 TYR CA C 58.06 0.05 1 429 115 115 TYR CB C 38.79 0.05 1 430 115 115 TYR N N 120.8 0.08 1 431 116 116 VAL H H 7.888 0.005 1 432 116 116 VAL CA C 59.31 0.05 1 433 116 116 VAL CB C 33.30 0.05 1 434 116 116 VAL N N 124.9 0.08 1 435 117 117 PRO CA C 62.94 0.05 1 436 117 117 PRO CB C 32.36 0.05 1 437 118 118 VAL H H 8.145 0.005 1 438 118 118 VAL CA C 62.39 0.05 1 439 118 118 VAL CB C 33.07 0.05 1 440 118 118 VAL N N 120.3 0.08 1 441 119 119 HIS H H 8.569 0.005 1 442 119 119 HIS C C 173.6 0.05 1 443 119 119 HIS CA C 54.86 0.05 1 444 119 119 HIS CB C 29.41 0.05 1 445 119 119 HIS N N 122.1 0.08 1 446 120 120 PHE H H 8.521 0.005 1 447 120 120 PHE C C 175.1 0.05 1 448 120 120 PHE CA C 57.75 0.05 1 449 120 120 PHE CB C 40.31 0.05 1 450 120 120 PHE N N 123.2 0.08 1 451 121 121 ASP H H 8.665 0.005 1 452 121 121 ASP CA C 52.67 0.05 1 453 121 121 ASP CB C 38.41 0.05 1 454 121 121 ASP N N 122.2 0.08 1 455 122 122 ALA H H 8.260 0.005 1 456 122 122 ALA CA C 52.62 0.05 1 457 122 122 ALA CB C 19.61 0.05 1 458 122 122 ALA N N 125.0 0.08 1 459 123 123 SER H H 8.281 0.005 1 460 123 123 SER CA C 58.50 0.05 1 461 123 123 SER CB C 63.98 0.05 1 462 123 123 SER N N 115.0 0.08 1 463 124 124 VAL H H 8.066 0.005 1 464 124 124 VAL CA C 61.32 0.05 1 465 124 124 VAL CB C 32.94 0.05 1 466 124 124 VAL N N 119.4 0.08 1 stop_ save_