data_16503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16503 _Entry.Title ; Ribonuclease A in 40% acetic acid and 8M urea pH 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-18 _Entry.Accession_date 2009-09-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Bovine Pancreatic RNase A (recombinant 13C,15N labeled)backbone assignments in 40% acetic acid and 8 M urea pH 2' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jorge 'L pez Alonso' . . . 16503 2 Marta Bruix . . . 16503 3 Douglas Laurents . . . 16503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 602 16503 '15N chemical shifts' 229 16503 '1H chemical shifts' 351 16503 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2013-07-26 2009-09-18 update BMRB 'delete shift of 65 CYS N 175.1' 16503 2 . . 2010-02-23 2009-09-18 update BMRB 'completed entry citation' 16503 1 . . 2010-01-26 2009-09-18 original author 'original release' 16503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20085318 _Citation.Full_citation . _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 _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 132 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1621 _Citation.Page_last 1630 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jorge Pedro' Lopez-Alonso . . . 16503 1 2 Marta Bruix . . . 16503 1 3 Josep Font . . . 16503 1 4 Marc Ribo . . . 16503 1 5 Maria Vilanova . . . 16503 1 6 'Maria Angeles' Jimenez . . . 16503 1 7 Jorge Santoro . . . 16503 1 8 Carlos Gonzalez . . . 16503 1 9 Douglas Laurents . V. . 16503 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Spectroscopy' 16503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16503 _Assembly.ID 1 _Assembly.Name 'RNase A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RNase A' 1 $RNase_A A . yes denatured yes no . . . 16503 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 84 84 SG . . . . . . . . . . 16503 1 2 disulfide single . 1 . 1 CYS 40 40 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 16503 1 3 disulfide single . 1 . 1 CYS 58 58 SG . 1 . 1 CYS 110 110 SG . . . . . . . . . . 16503 1 4 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 16503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNase_A _Entity.Sf_category entity _Entity.Sf_framecode RNase_A _Entity.Entry_ID 16503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNase_A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KETAAAKFERQHMDSSTSAA SSSNYCNQMMKSRNLTKDRC KPVNTFVHESLADVQAVCSQ KNVACKNGQTNCYQSYSTMS ITDCRETGSSKYPNCAYKTT QANKHIIVACEGNPYVPVHF DASV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13684 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1072 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 2 no BMRB 16010 . ribonuclease_A . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 3 no BMRB 16011 . ribonuclease_A . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 4 no BMRB 16742 . "Ribonuclease A" . . . . . 100.00 126 100.00 100.00 1.07e-85 . . . . 16503 1 5 no BMRB 17099 . ribonuclease . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 6 no BMRB 17172 . RNase_A_C-dimer . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 7 no BMRB 19065 . RnaseA . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 8 no BMRB 2928 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 9 no BMRB 385 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 10 no BMRB 4031 . "bovine pancreatic ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 11 no BMRB 4032 . "bovine pancreatic [C65S,C72S] ribonuclease A" . . . . . 100.00 124 98.39 98.39 1.96e-83 . . . . 16503 1 12 no BMRB 443 . "ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 13 no PDB 1A2W . "Crystal Structure Of A 3d Domain-Swapped Dimer Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 14 no PDB 1A5P . "C[40,95]a Variant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 98.39 98.39 1.13e-83 . . . . 16503 1 15 no PDB 1A5Q . "P93a Variant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 16503 1 16 no PDB 1AFK . "Crystal Structure Of Ribonuclease A In Complex With 5'- Diphosphoadenosine-3'-Phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 17 no PDB 1AFL . "Ribonuclease A In Complex With 5'-Diphosphoadenosine 2'- Phosphate At 1.7 Angstrom Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 18 no PDB 1AFU . "Structure Of Ribonuclease A At 2.0 Angstroms From Monoclinic Crystals" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 19 no PDB 1AQP . "Ribonuclease A Copper Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 20 no PDB 1BEL . "Hydrolase Phosphoric Diester, Rna" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 21 no PDB 1BZQ . "Complex Of A Dromedary Single-Domain Vhh Antibody Fragment With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 22 no PDB 1C0B . "Bovine Pancreatic Ribonuclease A Desiccated For 2.5 Days" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 16503 1 23 no PDB 1C0C . "Bovine Pancreatic Ribonuclease A Desiccated For 4.0 Days" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 16503 1 24 no PDB 1C8W . "Thr45gly Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.77e-84 . . . . 16503 1 25 no PDB 1C9V . "H12a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.89e-84 . . . . 16503 1 26 no PDB 1C9X . "H119a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.89e-84 . . . . 16503 1 27 no PDB 1CJQ . "X-Ray Crystallographic Studies Of The Denaturation Of The Denaturation Of Ribonuclease S." . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 16503 1 28 no PDB 1CJR . "X-Ray Crystallographic Studies Of Denaturation In Ribonuclease S" . . . . . 80.65 101 100.00 100.00 8.28e-68 . . . . 16503 1 29 no 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 1.90e-68 . . . . 16503 1 30 no 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 1.90e-68 . . . . 16503 1 31 no PDB 1D5H . "Rnase S(F8a). Mutant Ribonuclease S" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 16503 1 32 no PDB 1DFJ . "Ribonuclease Inhibitor Complexed With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 33 no PDB 1DY5 . "Deamidated Derivative Of Bovine Pancreatic Ribonuclease" . . . . . 100.00 124 99.19 99.19 1.62e-84 . . . . 16503 1 34 no PDB 1EIC . "Crystal Structure Of F120a Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.68e-84 . . . . 16503 1 35 no PDB 1EID . "Crystal Structure Of F120g Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 4.20e-84 . . . . 16503 1 36 no PDB 1EIE . "Crystal Structure Of F120w Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 100.00 5.51e-85 . . . . 16503 1 37 no PDB 1EOS . "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Productive Binding)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 38 no PDB 1EOW . "Crystal Structure Of Ribonuclease A Complexed With Uridylyl(2',5')guanosine (Non-Productive Binding)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 39 no PDB 1F0V . "Crystal Structure Of An Rnase A Dimer Displaying A New Type Of 3d Domain Swapping" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 40 no PDB 1FEV . "Crystal Structure Of The Ala4aib Mutation In Rnase S" . . . . . 81.45 101 100.00 100.00 1.90e-68 . . . . 16503 1 41 no PDB 1FS3 . "Crystal Structure Of Wild-Type Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 42 no PDB 1IZP . "F46l Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 8.16e-85 . . . . 16503 1 43 no PDB 1IZQ . "F46v Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.59e-84 . . . . 16503 1 44 no PDB 1IZR . "F46a Mutant Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 99.19 99.19 3.68e-84 . . . . 16503 1 45 no PDB 1J7Z . "Osmolyte Stabilization Of Ribonuclease" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 46 no PDB 1J80 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 47 no PDB 1J81 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 48 no PDB 1J82 . "Osmolyte Stabilization Of Rnase" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 49 no 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 1.71e-85 . . . . 16503 1 50 no PDB 1JS0 . "Crystal Structure Of 3d Domain-Swapped Rnase A Minor Trimer" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 51 no PDB 1JVT . "Crystal Structure Of Ribonuclease A (Ligand-Free Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 52 no PDB 1JVU . "Crystal Structure Of Ribonuclease A (Complexed Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 53 no PDB 1JVV . "Crystal Structure Of Ribonuclease A (Retro-Soaked Form)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 54 no PDB 1KF2 . "Atomic Resolution Structure Of Rnase A At Ph 5.2" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 55 no PDB 1KF3 . "Atomic Resolution Structure Of Rnase A At Ph 5.9" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 56 no PDB 1KF4 . "Atomic Resolution Structure Of Rnase A At Ph 6.3" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 57 no PDB 1KF5 . "Atomic Resolution Structure Of Rnase A At Ph 7.1" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 58 no PDB 1KF7 . "Atomic Resolution Structure Of Rnase A At Ph 8.0" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 59 no PDB 1KF8 . "Atomic Resolution Structure Of Rnase A At Ph 8.8" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 60 no PDB 1KH8 . "Structure Of A Cis-Proline (P114) To Glycine Variant Of Ribonuclease A" . . . . . 100.00 125 99.19 99.19 2.65e-84 . . . . 16503 1 61 no PDB 1LSQ . "Ribonuclease A With Asn 67 Replaced By A Beta-Aspartyl Residue" . . . . . 100.00 124 99.19 99.19 1.62e-84 . . . . 16503 1 62 no PDB 1O0F . "Rnase A In Complex With 3',5'-Adp" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 63 no PDB 1O0H . "Ribonuclease A In Complex With 5'-Adp" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 64 no PDB 1O0M . "Ribonuclease A In Complex With Uridine-2'-Phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 65 no PDB 1O0N . "Ribonuclease A In Complex With Uridine-3'-phosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 66 no PDB 1O0O . "Ribonuclease A In Complex With Adenosine-2',5'-Diphosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 67 no 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 1.71e-85 . . . . 16503 1 68 no PDB 1RAR . "Crystal Structure Of A Fluorescent Derivative Of Rnase A" . . . . . 99.19 123 100.00 100.00 9.82e-85 . . . . 16503 1 69 no PDB 1RAS . "Crystal Structure Of A Fluorescent Derivative Of Rnase A" . . . . . 99.19 123 100.00 100.00 9.82e-85 . . . . 16503 1 70 no 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 1.71e-85 . . . . 16503 1 71 no PDB 1RBB . "The Crystal Structure Of Ribonuclease B At 2.5-Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 72 no PDB 1RBC . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 73 no PDB 1RBD . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 74 no PDB 1RBE . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 75 no PDB 1RBF . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 76 no PDB 1RBG . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 77 no PDB 1RBH . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 78 no PDB 1RBI . "Crystallographic Structures Of Ribonuclease S Variants With Nonpolar Substitution At Position 13: Packing And Cavities" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 79 no PDB 1RBJ . "Ribonuclease B Complex With D(Tetra-(Deoxy-Adenylate))" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 80 no PDB 1RBN . "The Structure Of Ribonuclease A Derivative Ii At 2.1 Angstroms Resolution" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 81 no PDB 1RBW . "Ribonuclease A (E.C.3.1.27.5) With Guanidinium" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 82 no PDB 1RBX . "Ribonuclease A (E.C.3.1.27.5) Control" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 83 no 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 1.71e-85 . . . . 16503 1 84 no PDB 1RCN . "Crystal Structure Of The Ribonuclease A D(Aptpapapg) Complex : Direct Evidence For Extended Substrate Recognition" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 85 no 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 1.71e-85 . . . . 16503 1 86 no 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 1.71e-85 . . . . 16503 1 87 no PDB 1RNC . "Newly Observed Binding Mode In Pancreatic Ribonuclease" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 88 no PDB 1RND . "Newly Observed Binding Mode In Pancreatic Ribonuclease" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 89 no PDB 1RNM . "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 90 no PDB 1RNN . "Ribonuclease A Complex With Cytidylic Acid (5'cmp) Crystallized From 8m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 91 no PDB 1RNO . "Ribonuclease A Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 92 no PDB 1RNQ . "Ribonuclease A Crystallized From 8m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 93 no 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 1.71e-85 . . . . 16503 1 94 no 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 1.71e-85 . . . . 16503 1 95 no PDB 1RNW . "Recombinant Ribonuclease A Crystallized From 80% Ammonium Sulphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 96 no PDB 1RNX . "Ribonuclease A Crystallized From 3m Sodium Chloride, 30% Ammonium Sulfate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 97 no PDB 1RNY . "Ribonuclease A Crystallized From 3m Cesium Chloride, 30% Ammonium Sulfate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 98 no PDB 1RNZ . "Ribonuclease A Crystallized From 2.5m Sodium Chloride, 3.3m Sodium Formate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 99 no 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 1.71e-85 . . . . 16503 1 100 no 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 1.71e-85 . . . . 16503 1 101 no 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 1.71e-85 . . . . 16503 1 102 no 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 1.71e-85 . . . . 16503 1 103 no 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 1.71e-85 . . . . 16503 1 104 no PDB 1RTA . "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 105 no PDB 1RTB . "Crystal Structure Disposition Of Thymidylic Acid Tetramer In Complex With Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 106 no PDB 1RUV . "Ribonuclease A-Uridine Vanadate Complex: High Resolution Resolution X-Ray Structure (1.3 A)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 107 no PDB 1SRN . "The Refined Crystal Structure Of A Fully Active Semisynthetic Ribonuclease At 1.8 Angstroms Resolution" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 16503 1 108 no PDB 1SSA . "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 16503 1 109 no PDB 1SSB . "A Structural Investigation Of Catalytically Modified F12ol And F12oy Semisynthetic Ribonucleases" . . . . . 95.16 118 100.00 100.00 1.80e-80 . . . . 16503 1 110 no 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 3.17e-75 . . . . 16503 1 111 no 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 1.71e-85 . . . . 16503 1 112 no PDB 1W4O . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 113 no PDB 1W4P . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 114 no PDB 1W4Q . "Binding Of Nonnatural 3'-Nucleotides To Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 115 no PDB 1WBU . "Fragment Based Lead Discovery Using Crystallography" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 116 no PDB 1XPS . "Bovine Ribonuclease A (Phosphate-Free) (93 % Humidity)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 117 no PDB 1XPT . "Bovine Ribonuclease A (Phosphate-Free)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 118 no PDB 1YMN . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92l Mutant)" . . . . . 100.00 124 99.19 99.19 1.35e-84 . . . . 16503 1 119 no PDB 1YMR . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92a Mutant)" . . . . . 100.00 124 99.19 99.19 2.74e-84 . . . . 16503 1 120 no PDB 1YMW . "The Study Of Reductive Unfolding Pathways Of Rnase A (Y92g Mutant)" . . . . . 100.00 124 99.19 99.19 3.93e-84 . . . . 16503 1 121 no PDB 1Z3L . "X-Ray Crystal Structure Of A Mutant Ribonuclease S (F8anb)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 122 no PDB 1Z3M . "Crystal Structure Of Mutant Ribonuclease S (F8nva)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 123 no PDB 1Z3P . "X-Ray Crystal Structure Of A Mutant Ribonuclease S (M13nva)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 124 no PDB 1Z6D . "Ribonuclease A- Imp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 125 no PDB 1Z6S . "Ribonuclease A- Amp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 126 no PDB 2AAS . "High-Resolution Three-Dimensional Structure Of Ribonuclease A In Solution By Nuclear Magnetic Resonance Spectroscopy" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 127 no PDB 2BLP . "Rnase Before Unattenuated X-Ray Burn" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 128 no PDB 2BLZ . 'Rnase After A High Dose X-Ray "burn"' . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 129 no PDB 2E33 . "Structural Basis For Selection Of Glycosylated Substrate By Scffbs1 Ubiquitin Ligase" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 130 no PDB 2E3W . "X-Ray Structure Of Native Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 131 no PDB 2G4W . "Anomalous Substructure Of Ribonuclease A (c2)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 132 no PDB 2G4X . "Anomalous Substructure Od Ribonuclease A (P3221)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 133 no PDB 2G8Q . "The Crystal Structure Of Rnase A From Monoclinic Crystals At 100 K" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 134 no 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 1.71e-85 . . . . 16503 1 135 no PDB 2NUI . "X-Ray Structure Of Synthetic [d83a]rnase A" . . . . . 100.00 124 99.19 99.19 2.96e-84 . . . . 16503 1 136 no PDB 2OP2 . "Crystal Structure Of Rnase Double-Mutant V43c R85c With Extra Disulphide Bond" . . . . . 100.00 124 98.39 98.39 9.74e-83 . . . . 16503 1 137 no PDB 2OQF . "Structure Of A Synthetic, Non-Natural Analogue Of Rnase A: [n71k(Ade), D83a]rnase A" . . . . . 100.00 124 98.39 98.39 2.46e-83 . . . . 16503 1 138 no 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 1.71e-85 . . . . 16503 1 139 no 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 1.71e-85 . . . . 16503 1 140 no 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 1.71e-85 . . . . 16503 1 141 no 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 1.71e-85 . . . . 16503 1 142 no 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 1.71e-85 . . . . 16503 1 143 no 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 1.71e-85 . . . . 16503 1 144 no 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 1.71e-85 . . . . 16503 1 145 no 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 1.71e-85 . . . . 16503 1 146 no 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 1.71e-85 . . . . 16503 1 147 no 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 1.71e-85 . . . . 16503 1 148 no 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 1.71e-85 . . . . 16503 1 149 no 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 2.61e-73 . . . . 16503 1 150 no 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 1.71e-85 . . . . 16503 1 151 no PDB 2W5G . "Rnase A-5'-Atp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 152 no PDB 2W5I . "Rnase A-Ap3a Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 153 no PDB 2W5K . "Rnase A-Nadph Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 154 no PDB 2W5L . "Rnase A-Nadp Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 155 no PDB 2W5M . "Rnase A-Pyrophosphate Ion Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 156 no PDB 2XOG . "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 157 no PDB 2XOI . "Functional And Structural Analyses Of N-Acylsulfonamide- Linked Dinucleoside Inhibitors Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 158 no PDB 3A1R . "Neutron Crystal Structure Analysis Of Bovine Pancreatic Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 159 no PDB 3D6O . "The Rnase A- 5'-Deoxy-5'-N-(Ethyl Isonipecotatyl)uridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 160 no PDB 3D6P . "Rnase A- 5'-Deoxy-5'-N-Morpholinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 161 no PDB 3D6Q . "The Rnase A- 5'-Deoxy-5'-N-Piperidinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 162 no PDB 3D7B . "The Ribonuclease A- 5'-Deoxy-5'-N-Pyrrolidinouridine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 163 no PDB 3D8Y . "Rnase A- 5'-deoxy-5'-n-piperidinothymidine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 164 no PDB 3D8Z . "Rnase A- 5'-deoxy-5'-n-pyrrolidinothymidine Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 165 no PDB 3DH5 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A (Wild- Type)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 166 no PDB 3DH6 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V47a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 16503 1 167 no PDB 3DI7 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V54a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 16503 1 168 no PDB 3DI8 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V57a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 16503 1 169 no PDB 3DI9 . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I81a)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 16503 1 170 no PDB 3DIB . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (I106a)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 16503 1 171 no PDB 3DIC . "Crystal Structure Of Bovine Pancreatic Ribonuclease A Variant (V108a)" . . . . . 100.00 124 99.19 99.19 8.90e-85 . . . . 16503 1 172 no PDB 3DXG . "Ribonuclease A- Uridine 5' Phosphate Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 173 no PDB 3DXH . "Ribonuclease A Uridine 5' Diphosphate Complex" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 174 no PDB 3EUX . "Crystal Structure Of Crosslinked Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 175 no PDB 3EUY . "Crystal Structure Of Ribonuclease A In 50% Dioxane" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 176 no PDB 3EUZ . "Crystal Structure Of Ribonuclease A In 50% Dimethylformamide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 177 no PDB 3EV0 . "Crystal Structure Of Ribonuclease A In 70% Dimethyl Sulfoxide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 178 no PDB 3EV1 . "Crystal Structure Of Ribonuclease A In 70% Hexanediol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 179 no PDB 3EV2 . "Crystal Structure Of Ribonuclease A In 70% Isopropanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 180 no PDB 3EV3 . "Crystal Structure Of Ribonuclease A In 70% T-Butanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 181 no PDB 3EV4 . "Crystal Structure Of Ribonuclease A In 50% Trifluoroethanol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 182 no PDB 3EV5 . "Crystal Structure Of Ribonuclease A In 1m Trimethylamine N-Oxide" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 183 no PDB 3EV6 . "Crystal Structure Of Ribonuclease A In 50% R,S,R-Bisfuranol" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 184 no 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 5.71e-83 . . . . 16503 1 185 no 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 1.71e-85 . . . . 16503 1 186 no 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 1.71e-85 . . . . 16503 1 187 no 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 1.71e-85 . . . . 16503 1 188 no 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 1.71e-85 . . . . 16503 1 189 no PDB 3I7W . "High Pressure Structure Of Wild-Type Rnase A (0.67 Gpa)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 190 no PDB 3I7X . "High Pressure Structure Of I106a Rnase A Variant (0.35 Gpa)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 16503 1 191 no PDB 3I7Y . "High Pressure Structure Of I106a Variant Of Rnase A (0.48 Gpa)" . . . . . 100.00 124 99.19 99.19 1.57e-84 . . . . 16503 1 192 no 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 1.71e-85 . . . . 16503 1 193 no PDB 3LXO . "The Crystal Structure Of Ribonuclease A In Complex With Thymidine-3'- Monophosphate" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 194 no PDB 3MWQ . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 256 100.00 100.00 1.18e-83 . . . . 16503 1 195 no PDB 3MWR . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 254 100.00 100.00 1.01e-83 . . . . 16503 1 196 no PDB 3MX8 . "Crystal Structure Of Ribonuclease A Tandem Enzymes And Their Interaction With The Cytosolic Ribonuclease Inhibitor" . . . . . 100.00 252 100.00 100.00 1.48e-83 . . . . 16503 1 197 no PDB 3MZQ . "Rnase Crystals Grown By The Hanging Drop Method" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 16503 1 198 no PDB 3MZR . "Rnase Crystals Grown In Loops/micromounts" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 16503 1 199 no PDB 3OQY . "Semi-Synthetic Ribonuclease S: Para-Cyano-Phenylalanine At Position 8" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 200 no PDB 3OQZ . "Semi-Synthetic Ribonuclease S: Meta-Cyano-Phenylalanine At Position 8" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 201 no PDB 3OR0 . "Semi-Synthetic Ribonuclease S: Cyanylated Homocysteine At Position 13" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 202 no PDB 3QL1 . "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" . . . . . 100.00 124 97.58 98.39 8.00e-83 . . . . 16503 1 203 no PDB 3QL2 . "Crystal Structure Of Ribonuclease A Variant A4c/d83e/v118c" . . . . . 100.00 124 97.58 98.39 8.00e-83 . . . . 16503 1 204 no PDB 3QSK . "5 Histidine Variant Of The Anti-Rnase A Vhh In Complex With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 205 no 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 1.71e-85 . . . . 16503 1 206 no PDB 3RH1 . "X-ray Structure Of A Cis-proline (p114) To Alanine Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 16503 1 207 no PDB 3RID . "X-ray Structure Of The C-terminal Swapped Dimer Of P114a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 1.89e-84 . . . . 16503 1 208 no 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 1.71e-85 . . . . 16503 1 209 no PDB 3RSD . "Structure Of The D121n Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 100.00 1.03e-84 . . . . 16503 1 210 no PDB 3RSK . "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A" . . . . . 100.00 124 97.58 97.58 1.01e-82 . . . . 16503 1 211 no PDB 3RSP . "Structure Of The P93g Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 2.83e-84 . . . . 16503 1 212 no PDB 3SRN . "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" . . . . . 91.13 113 100.00 100.00 5.90e-76 . . . . 16503 1 213 no PDB 4AO1 . "High Resolution Crystal Structure Of Bovine Pancreatic Ribonuclease Crystallized Using Ionic Liquid" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 214 no PDB 4G8V . "Crystal Structure Of Ribonuclease A In Complex With 5a" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 215 no PDB 4G8Y . "Crystal Structure Of Ribonuclease A In Complex With 5b" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 216 no PDB 4G90 . "Crystal Structure Of Ribonuclease A In Complex With 5e" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 217 no PDB 4J5Z . "Crystal Structure Of Ribonuclease A In Aqueous Solution: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 218 no PDB 4J60 . "Crystal Structure Of Ribonuclease A Soaked In 25% Cyclopentanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 219 no PDB 4J61 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclopentanone: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 220 no PDB 4J62 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 221 no PDB 4J63 . "Crystal Structure Of Ribonuclease A Soaked In 40% Cyclohexanone: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 222 no PDB 4J64 . "Crystal Structure Of Ribonuclease A Soaked In 40% Dioxane: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 223 no PDB 4J65 . "Crystal Structure Of Ribonuclease A Soaked In 40% Dimethylformamide: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 224 no 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 1.71e-85 . . . . 16503 1 225 no 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 1.71e-85 . . . . 16503 1 226 no PDB 4J68 . "Crystal Structure Of Ribonuclease A Soaked In 40% Isopropanol: One Of Twelve In Mscs Set" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 227 no 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 1.71e-85 . . . . 16503 1 228 no 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 1.71e-85 . . . . 16503 1 229 no PDB 4K7L . "Crystal Structure Of Rnase S Variant (k7c/q11c)" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 230 no PDB 4L55 . "X-ray Structure Of The Adduct Between Bovine Pancreatic Ribonuclease And Aziru" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 231 no 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 1.71e-85 . . . . 16503 1 232 no PDB 4O36 . "Semisynthetic Rnase S1-15-h7/11-q10" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 233 no PDB 4O37 . "Seminsynthetic Rnase S1-15-3pl-7/11" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 234 no PDB 4OKF . "Rnase S In Complex With An Artificial Peptide" . . . . . 83.87 104 100.00 100.00 3.45e-70 . . . . 16503 1 235 no PDB 4OOH . "Structure Of Ribonuclease A At 40c" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 236 no PDB 4OT4 . "X-ray Structure Of The Adduct Formed Between Cisplatin And Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 237 no PDB 4PEQ . "Structure Of Bovine Ribonuclease Inhibitor Complexed With Bovine Ribonuclease I" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 238 no PDB 4POU . "Vhh-metal In Complex With Rnase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 239 no 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 1.71e-85 . . . . 16503 1 240 no 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 1.71e-85 . . . . 16503 1 241 no PDB 4RSD . "Structure Of The D121a Variant Of Ribonuclease A" . . . . . 100.00 124 99.19 99.19 2.96e-84 . . . . 16503 1 242 no PDB 4RSK . "Structure Of The K7aR10AK66A VARIANT OF RIBONUCLEASE A Complexed With 3'-Ump" . . . . . 100.00 124 97.58 97.58 1.01e-82 . . . . 16503 1 243 no 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 1.71e-85 . . . . 16503 1 244 no PDB 4SRN . "Structural Changes That Accompany The Reduced Catalytic Efficiency Of Two Semisynthetic Ribonuclease Analogs" . . . . . 91.13 113 100.00 100.00 5.90e-76 . . . . 16503 1 245 no PDB 4YGW . "Rnase S In Complex With Stabilized S Peptide" . . . . . 83.06 103 100.00 100.00 1.10e-69 . . . . 16503 1 246 no 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 1.71e-85 . . . . 16503 1 247 no PDB 5RSA . "Comparison Of Two Independently Refined Models Of Ribonuclease-A" . . . . . 99.19 124 100.00 100.00 1.01e-84 . . . . 16503 1 248 no 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 1.71e-85 . . . . 16503 1 249 no 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 1.71e-85 . . . . 16503 1 250 no 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 1.71e-85 . . . . 16503 1 251 no PDB 7RSA . "Structure Of Phosphate-Free Ribonuclease A Refined At 1.26 Angstroms" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 252 no 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 1.71e-85 . . . . 16503 1 253 no PDB 8RSA . "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 254 no 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 1.71e-85 . . . . 16503 1 255 no PDB 9RSA . "Crystal Structure Of Two Covalent Nucleoside Derivatives Of Ribonuclease A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 256 no EMBL CAA30263 . "ribonuclease [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 257 no EMBL CAA33801 . "unnamed protein product [Bos taurus]" . . . . . 100.00 125 100.00 100.00 1.67e-85 . . . . 16503 1 258 no EMBL CAB37066 . "artificial [synthetic construct]" . . . . . 100.00 128 100.00 100.00 1.77e-85 . . . . 16503 1 259 no GB AAA72269 . "ribonuclease S [synthetic construct]" . . . . . 83.87 105 100.00 100.00 2.86e-70 . . . . 16503 1 260 no GB AAA72757 . "RNase A [synthetic construct]" . . . . . 100.00 156 100.00 100.00 3.05e-86 . . . . 16503 1 261 no GB AAB35594 . "ribonuclease A, partial [Bos taurus]" . . . . . 100.00 128 100.00 100.00 1.65e-85 . . . . 16503 1 262 no GB AAB36134 . "pancreatic-type ribonuclease, partial [Bos taurus]" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 263 no GB AAI49530 . "RNASE1 protein [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 264 no PIR JC5560 . "pancreatic ribonuclease (EC 3.1.27.5) A - Aspergillus niger var. macrosporus" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 265 no PIR NRBOB . "pancreatic ribonuclease (EC 3.1.27.5) - American bison (tentative sequence)" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 266 no PRF 630436A . RNase . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 267 no REF NP_001014408 . "ribonuclease pancreatic precursor [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 268 no REF XP_005211519 . "PREDICTED: ribonuclease pancreatic isoform X1 [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 269 no REF XP_005901936 . "PREDICTED: ribonuclease pancreatic [Bos mutus]" . . . . . 100.00 150 99.19 100.00 6.00e-86 . . . . 16503 1 270 no REF XP_010837737 . "PREDICTED: ribonuclease pancreatic [Bison bison bison]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 271 no SP P61823 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A; Flags: Precursor" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 272 no SP P61824 . "RecName: Full=Ribonuclease pancreatic; AltName: Full=RNase 1; AltName: Full=RNase A" . . . . . 100.00 124 100.00 100.00 1.71e-85 . . . . 16503 1 273 no TPE CDG32088 . "TPA: ribonuclease A C2 [Bos taurus]" . . . . . 100.00 215 100.00 100.00 2.18e-86 . . . . 16503 1 274 no TPG DAA25470 . "TPA: ribonuclease pancreatic precursor [Bos taurus]" . . . . . 100.00 150 100.00 100.00 1.75e-86 . . . . 16503 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ribonuclease 16503 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 16503 1 2 . GLU . 16503 1 3 . THR . 16503 1 4 . ALA . 16503 1 5 . ALA . 16503 1 6 . ALA . 16503 1 7 . LYS . 16503 1 8 . PHE . 16503 1 9 . GLU . 16503 1 10 . ARG . 16503 1 11 . GLN . 16503 1 12 . HIS . 16503 1 13 . MET . 16503 1 14 . ASP . 16503 1 15 . SER . 16503 1 16 . SER . 16503 1 17 . THR . 16503 1 18 . SER . 16503 1 19 . ALA . 16503 1 20 . ALA . 16503 1 21 . SER . 16503 1 22 . SER . 16503 1 23 . SER . 16503 1 24 . ASN . 16503 1 25 . TYR . 16503 1 26 . CYS . 16503 1 27 . ASN . 16503 1 28 . GLN . 16503 1 29 . MET . 16503 1 30 . MET . 16503 1 31 . LYS . 16503 1 32 . SER . 16503 1 33 . ARG . 16503 1 34 . ASN . 16503 1 35 . LEU . 16503 1 36 . THR . 16503 1 37 . LYS . 16503 1 38 . ASP . 16503 1 39 . ARG . 16503 1 40 . CYS . 16503 1 41 . LYS . 16503 1 42 . PRO . 16503 1 43 . VAL . 16503 1 44 . ASN . 16503 1 45 . THR . 16503 1 46 . PHE . 16503 1 47 . VAL . 16503 1 48 . HIS . 16503 1 49 . GLU . 16503 1 50 . SER . 16503 1 51 . LEU . 16503 1 52 . ALA . 16503 1 53 . ASP . 16503 1 54 . VAL . 16503 1 55 . GLN . 16503 1 56 . ALA . 16503 1 57 . VAL . 16503 1 58 . CYS . 16503 1 59 . SER . 16503 1 60 . GLN . 16503 1 61 . LYS . 16503 1 62 . ASN . 16503 1 63 . VAL . 16503 1 64 . ALA . 16503 1 65 . CYS . 16503 1 66 . LYS . 16503 1 67 . ASN . 16503 1 68 . GLY . 16503 1 69 . GLN . 16503 1 70 . THR . 16503 1 71 . ASN . 16503 1 72 . CYS . 16503 1 73 . TYR . 16503 1 74 . GLN . 16503 1 75 . SER . 16503 1 76 . TYR . 16503 1 77 . SER . 16503 1 78 . THR . 16503 1 79 . MET . 16503 1 80 . SER . 16503 1 81 . ILE . 16503 1 82 . THR . 16503 1 83 . ASP . 16503 1 84 . CYS . 16503 1 85 . ARG . 16503 1 86 . GLU . 16503 1 87 . THR . 16503 1 88 . GLY . 16503 1 89 . SER . 16503 1 90 . SER . 16503 1 91 . LYS . 16503 1 92 . TYR . 16503 1 93 . PRO . 16503 1 94 . ASN . 16503 1 95 . CYS . 16503 1 96 . ALA . 16503 1 97 . TYR . 16503 1 98 . LYS . 16503 1 99 . THR . 16503 1 100 . THR . 16503 1 101 . GLN . 16503 1 102 . ALA . 16503 1 103 . ASN . 16503 1 104 . LYS . 16503 1 105 . HIS . 16503 1 106 . ILE . 16503 1 107 . ILE . 16503 1 108 . VAL . 16503 1 109 . ALA . 16503 1 110 . CYS . 16503 1 111 . GLU . 16503 1 112 . GLY . 16503 1 113 . ASN . 16503 1 114 . PRO . 16503 1 115 . TYR . 16503 1 116 . VAL . 16503 1 117 . PRO . 16503 1 118 . VAL . 16503 1 119 . HIS . 16503 1 120 . PHE . 16503 1 121 . ASP . 16503 1 122 . ALA . 16503 1 123 . SER . 16503 1 124 . VAL . 16503 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 16503 1 . GLU 2 2 16503 1 . THR 3 3 16503 1 . ALA 4 4 16503 1 . ALA 5 5 16503 1 . ALA 6 6 16503 1 . LYS 7 7 16503 1 . PHE 8 8 16503 1 . GLU 9 9 16503 1 . ARG 10 10 16503 1 . GLN 11 11 16503 1 . HIS 12 12 16503 1 . MET 13 13 16503 1 . ASP 14 14 16503 1 . SER 15 15 16503 1 . SER 16 16 16503 1 . THR 17 17 16503 1 . SER 18 18 16503 1 . ALA 19 19 16503 1 . ALA 20 20 16503 1 . SER 21 21 16503 1 . SER 22 22 16503 1 . SER 23 23 16503 1 . ASN 24 24 16503 1 . TYR 25 25 16503 1 . CYS 26 26 16503 1 . ASN 27 27 16503 1 . GLN 28 28 16503 1 . MET 29 29 16503 1 . MET 30 30 16503 1 . LYS 31 31 16503 1 . SER 32 32 16503 1 . ARG 33 33 16503 1 . ASN 34 34 16503 1 . LEU 35 35 16503 1 . THR 36 36 16503 1 . LYS 37 37 16503 1 . ASP 38 38 16503 1 . ARG 39 39 16503 1 . CYS 40 40 16503 1 . LYS 41 41 16503 1 . PRO 42 42 16503 1 . VAL 43 43 16503 1 . ASN 44 44 16503 1 . THR 45 45 16503 1 . PHE 46 46 16503 1 . VAL 47 47 16503 1 . HIS 48 48 16503 1 . GLU 49 49 16503 1 . SER 50 50 16503 1 . LEU 51 51 16503 1 . ALA 52 52 16503 1 . ASP 53 53 16503 1 . VAL 54 54 16503 1 . GLN 55 55 16503 1 . ALA 56 56 16503 1 . VAL 57 57 16503 1 . CYS 58 58 16503 1 . SER 59 59 16503 1 . GLN 60 60 16503 1 . LYS 61 61 16503 1 . ASN 62 62 16503 1 . VAL 63 63 16503 1 . ALA 64 64 16503 1 . CYS 65 65 16503 1 . LYS 66 66 16503 1 . ASN 67 67 16503 1 . GLY 68 68 16503 1 . GLN 69 69 16503 1 . THR 70 70 16503 1 . ASN 71 71 16503 1 . CYS 72 72 16503 1 . TYR 73 73 16503 1 . GLN 74 74 16503 1 . SER 75 75 16503 1 . TYR 76 76 16503 1 . SER 77 77 16503 1 . THR 78 78 16503 1 . MET 79 79 16503 1 . SER 80 80 16503 1 . ILE 81 81 16503 1 . THR 82 82 16503 1 . ASP 83 83 16503 1 . CYS 84 84 16503 1 . ARG 85 85 16503 1 . GLU 86 86 16503 1 . THR 87 87 16503 1 . GLY 88 88 16503 1 . SER 89 89 16503 1 . SER 90 90 16503 1 . LYS 91 91 16503 1 . TYR 92 92 16503 1 . PRO 93 93 16503 1 . ASN 94 94 16503 1 . CYS 95 95 16503 1 . ALA 96 96 16503 1 . TYR 97 97 16503 1 . LYS 98 98 16503 1 . THR 99 99 16503 1 . THR 100 100 16503 1 . GLN 101 101 16503 1 . ALA 102 102 16503 1 . ASN 103 103 16503 1 . LYS 104 104 16503 1 . HIS 105 105 16503 1 . ILE 106 106 16503 1 . ILE 107 107 16503 1 . VAL 108 108 16503 1 . ALA 109 109 16503 1 . CYS 110 110 16503 1 . GLU 111 111 16503 1 . GLY 112 112 16503 1 . ASN 113 113 16503 1 . PRO 114 114 16503 1 . TYR 115 115 16503 1 . VAL 116 116 16503 1 . PRO 117 117 16503 1 . VAL 118 118 16503 1 . HIS 119 119 16503 1 . PHE 120 120 16503 1 . ASP 121 121 16503 1 . ALA 122 122 16503 1 . SER 123 123 16503 1 . VAL 124 124 16503 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16503 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNase_A . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 16503 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16503 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNase_A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 16503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16503 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '40% acetic acid (deuterated), 50% H2O (milliQ), 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNase A' [U-13C] . . 1 $RNase_A . . 1.7 . . mM . . . . 16503 1 2 'acetic acid' 'natural abundance' . . . . . . 40 . . % . . . . 16503 1 3 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16503 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16503 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16503 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '8 M urea pH 2.5 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNase A' '[U-100% 13C; U-100% 15N]' . . 1 $RNase_A . . 1.7 . . mM . . . . 16503 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16503 2 3 urea 'natural abundance' . . . . . . 8 . . M . . . . 16503 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16503 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 40% acetic acid (deuterated) (40% v/v acetic acid is equivalent to about 7M acetic acid) ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.024 . M 16503 1 pH 2 . pH 16503 1 pressure 1 . atm 16503 1 temperature 298 . K 16503 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16503 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; 8 M urea pH 2.5 urea was not deuterated. urea conc. determined by fraction weight and by refractive index. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.005 . M 16503 2 pH 2.5 . pH 16503 2 pressure 1 . atm 16503 2 temperature 298 . K 16503 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16503 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16503 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16503 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16503 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16503 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16503 2 processing 16503 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryoprobe with z-gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16503 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'cryoprobe with z-gradients' . . 16503 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16503 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 11 '1H-15N HSQC side chain filtered' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16503 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16503 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16503 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16503 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16503 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'standard deviation of values assigned in multiple spectra.' _Assigned_chem_shift_list.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" _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16503 1 2 '2D 1H-13C HSQC' . . . 16503 1 3 '2D 1H-1H TOCSY' . . . 16503 1 4 '2D 1H-1H NOESY' . . . 16503 1 5 '3D CBCA(CO)NH' . . . 16503 1 6 '3D HNCO' . . . 16503 1 7 '3D HNCA' . . . 16503 1 8 '3D HNCACB' . . . 16503 1 9 '3D HN(CO)CA' . . . 16503 1 10 '3D HN(COCA)CB' . . . 16503 1 11 '1H-15N HSQC side chain filtered' . . . 16503 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16503 1 2 $TOPSPIN . . 16503 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.152 0.005 . 1 . . . . 1 LYS HA . 16503 1 2 . 1 1 1 1 LYS C C 13 172.4 0.1 . 1 . . . . 1 LYS C . 16503 1 3 . 1 1 1 1 LYS CA C 13 55.78 0.05 . 1 . . . . 1 LYS CA . 16503 1 4 . 1 1 1 1 LYS CB C 13 33.22 0.05 . 1 . . . . 1 LYS CB . 16503 1 5 . 1 1 2 2 GLU H H 1 8.715 0.005 . 1 . . . . 2 GLU H . 16503 1 6 . 1 1 2 2 GLU HA H 1 4.613 0.005 . 1 . . . . 2 GLU HA . 16503 1 7 . 1 1 2 2 GLU C C 13 175.7 0.1 . 1 . . . . 2 GLU C . 16503 1 8 . 1 1 2 2 GLU CA C 13 55.81 0.05 . 1 . . . . 2 GLU CA . 16503 1 9 . 1 1 2 2 GLU CB C 13 29.31 0.05 . 1 . . . . 2 GLU CB . 16503 1 10 . 1 1 2 2 GLU N N 15 122.9 0.08 . 1 . . . . 2 GLU N . 16503 1 11 . 1 1 3 3 THR H H 1 8.198 0.005 . 1 . . . . 3 THR H . 16503 1 12 . 1 1 3 3 THR HA H 1 4.468 0.005 . 1 . . . . 3 THR HA . 16503 1 13 . 1 1 3 3 THR C C 13 174.4 0.1 . 1 . . . . 3 THR C . 16503 1 14 . 1 1 3 3 THR CA C 13 61.41 0.05 . 1 . . . . 3 THR CA . 16503 1 15 . 1 1 3 3 THR CB C 13 70.40 0.05 . 1 . . . . 3 THR CB . 16503 1 16 . 1 1 3 3 THR N N 15 115.4 0.08 . 1 . . . . 3 THR N . 16503 1 17 . 1 1 4 4 ALA H H 1 8.417 0.005 . 1 . . . . 4 ALA H . 16503 1 18 . 1 1 4 4 ALA HA H 1 4.292 0.005 . 1 . . . . 4 ALA HA . 16503 1 19 . 1 1 4 4 ALA C C 13 178.0 0.1 . 1 . . . . 4 ALA C . 16503 1 20 . 1 1 4 4 ALA CA C 13 53.50 0.05 . 1 . . . . 4 ALA CA . 16503 1 21 . 1 1 4 4 ALA CB C 13 18.81 0.05 . 1 . . . . 4 ALA CB . 16503 1 22 . 1 1 4 4 ALA N N 15 125.2 0.08 . 1 . . . . 4 ALA N . 16503 1 23 . 1 1 5 5 ALA H H 1 8.148 0.005 . 1 . . . . 5 ALA H . 16503 1 24 . 1 1 5 5 ALA HA H 1 4.271 0.005 . 1 . . . . 5 ALA HA . 16503 1 25 . 1 1 5 5 ALA C C 13 178.2 0.1 . 1 . . . . 5 ALA C . 16503 1 26 . 1 1 5 5 ALA CA C 13 53.5 0.05 . 1 . . . . 5 ALA CA . 16503 1 27 . 1 1 5 5 ALA CB C 13 18.85 0.05 . 1 . . . . 5 ALA CB . 16503 1 28 . 1 1 5 5 ALA N N 15 121.3 0.08 . 1 . . . . 5 ALA N . 16503 1 29 . 1 1 6 6 ALA H H 1 7.96 0.005 . 1 . . . . 6 ALA H . 16503 1 30 . 1 1 6 6 ALA HA H 1 4.242 0.005 . 1 . . . . 6 ALA HA . 16503 1 31 . 1 1 6 6 ALA C C 13 178.6 0.1 . 1 . . . . 6 ALA C . 16503 1 32 . 1 1 6 6 ALA CA C 13 53.62 0.05 . 1 . . . . 6 ALA CA . 16503 1 33 . 1 1 6 6 ALA CB C 13 18.86 0.05 . 1 . . . . 6 ALA CB . 16503 1 34 . 1 1 6 6 ALA N N 15 121.6 0.08 . 1 . . . . 6 ALA N . 16503 1 35 . 1 1 7 7 LYS H H 1 7.979 0.005 . 1 . . . . 7 LYS H . 16503 1 36 . 1 1 7 7 LYS HA H 1 4.148 0.005 . 1 . . . . 7 LYS HA . 16503 1 37 . 1 1 7 7 LYS C C 13 177.1 0.05 . 1 . . . . 7 LYS C . 16503 1 38 . 1 1 7 7 LYS CA C 13 57.80 0.05 . 1 . . . . 7 LYS CA . 16503 1 39 . 1 1 7 7 LYS CB C 13 32.77 0.05 . 1 . . . . 7 LYS CB . 16503 1 40 . 1 1 7 7 LYS N N 15 118.6 0.08 . 1 . . . . 7 LYS N . 16503 1 41 . 1 1 8 8 PHE H H 1 8.017 0.005 . 1 . . . . 8 PHE H . 16503 1 42 . 1 1 8 8 PHE HA H 1 4.576 0.005 . 1 . . . . 8 PHE HA . 16503 1 43 . 1 1 8 8 PHE C C 13 176.6 0.1 . 1 . . . . 8 PHE C . 16503 1 44 . 1 1 8 8 PHE CA C 13 58.79 0.05 . 1 . . . . 8 PHE CA . 16503 1 45 . 1 1 8 8 PHE CB C 13 39.31 0.05 . 1 . . . . 8 PHE CB . 16503 1 46 . 1 1 8 8 PHE N N 15 118.9 0.08 . 1 . . . . 8 PHE N . 16503 1 47 . 1 1 9 9 GLU H H 1 8.137 0.005 . 1 . . . . 9 GLU H . 16503 1 48 . 1 1 9 9 GLU HA H 1 4.333 0.005 . 1 . . . . 9 GLU HA . 16503 1 49 . 1 1 9 9 GLU C C 13 176.7 0.1 . 1 . . . . 9 GLU C . 16503 1 50 . 1 1 9 9 GLU CA C 13 56.87 0.05 . 1 . . . . 9 GLU CA . 16503 1 51 . 1 1 9 9 GLU CB C 13 28.68 0.05 . 1 . . . . 9 GLU CB . 16503 1 52 . 1 1 9 9 GLU N N 15 120.4 0.08 . 1 . . . . 9 GLU N . 16503 1 53 . 1 1 10 10 ARG H H 1 8.181 0.005 . 1 . . . . 10 ARG H . 16503 1 54 . 1 1 10 10 ARG HA H 1 4.274 0.005 . 1 . . . . 10 ARG HA . 16503 1 55 . 1 1 10 10 ARG C C 13 176.8 0.1 . 1 . . . . 10 ARG C . 16503 1 56 . 1 1 10 10 ARG CA C 13 57.17 0.05 . 1 . . . . 10 ARG CA . 16503 1 57 . 1 1 10 10 ARG CB C 13 30.47 0.05 . 1 . . . . 10 ARG CB . 16503 1 58 . 1 1 10 10 ARG N N 15 120.5 0.08 . 1 . . . . 10 ARG N . 16503 1 59 . 1 1 11 11 GLN H H 1 8.172 0.005 . 1 . . . . 11 GLN H . 16503 1 60 . 1 1 11 11 GLN HA H 1 4.279 0.005 . 1 . . . . 11 GLN HA . 16503 1 61 . 1 1 11 11 GLN C C 13 176.2 0.1 . 1 . . . . 11 GLN C . 16503 1 62 . 1 1 11 11 GLN CA C 13 56.66 0.05 . 1 . . . . 11 GLN CA . 16503 1 63 . 1 1 11 11 GLN CB C 13 29.30 0.05 . 1 . . . . 11 GLN CB . 16503 1 64 . 1 1 11 11 GLN N N 15 119.0 0.08 . 1 . . . . 11 GLN N . 16503 1 65 . 1 1 12 12 HIS H H 1 8.276 0.005 . 1 . . . . 12 HIS H . 16503 1 66 . 1 1 12 12 HIS HA H 1 4.687 0.005 . 1 . . . . 12 HIS HA . 16503 1 67 . 1 1 12 12 HIS C C 13 174.5 0.1 . 1 . . . . 12 HIS C . 16503 1 68 . 1 1 12 12 HIS CA C 13 55.84 0.05 . 1 . . . . 12 HIS CA . 16503 1 69 . 1 1 12 12 HIS CB C 13 28.74 0.05 . 1 . . . . 12 HIS CB . 16503 1 70 . 1 1 12 12 HIS N N 15 117.8 0.08 . 1 . . . . 12 HIS N . 16503 1 71 . 1 1 13 13 MET H H 1 8.233 0.005 . 1 . . . . 13 MET H . 16503 1 72 . 1 1 13 13 MET HA H 1 4.490 0.005 . 1 . . . . 13 MET HA . 16503 1 73 . 1 1 13 13 MET C C 13 176.0 0.1 . 1 . . . . 13 MET C . 16503 1 74 . 1 1 13 13 MET CA C 13 56.12 0.05 . 1 . . . . 13 MET CA . 16503 1 75 . 1 1 13 13 MET CB C 13 33.01 0.05 . 1 . . . . 13 MET CB . 16503 1 76 . 1 1 13 13 MET N N 15 120.7 0.08 . 1 . . . . 13 MET N . 16503 1 77 . 1 1 14 14 ASP H H 1 8.416 0.005 . 1 . . . . 14 ASP H . 16503 1 78 . 1 1 14 14 ASP HA H 1 4.800 0.005 . 1 . . . . 14 ASP HA . 16503 1 79 . 1 1 14 14 ASP C C 13 175.3 0.1 . 1 . . . . 14 ASP C . 16503 1 80 . 1 1 14 14 ASP CA C 13 53.35 0.05 . 1 . . . . 14 ASP CA . 16503 1 81 . 1 1 14 14 ASP CB C 13 38.39 0.05 . 1 . . . . 14 ASP CB . 16503 1 82 . 1 1 14 14 ASP N N 15 119.8 0.08 . 1 . . . . 14 ASP N . 16503 1 83 . 1 1 15 15 SER H H 1 8.216 0.005 . 1 . . . . 15 SER H . 16503 1 84 . 1 1 15 15 SER HA H 1 4.513 0.005 . 1 . . . . 15 SER HA . 16503 1 85 . 1 1 15 15 SER C C 13 174.8 0.1 . 1 . . . . 15 SER C . 16503 1 86 . 1 1 15 15 SER CA C 13 58.73 0.05 . 1 . . . . 15 SER CA . 16503 1 87 . 1 1 15 15 SER CB C 13 63.86 0.05 . 1 . . . . 15 SER CB . 16503 1 88 . 1 1 15 15 SER N N 15 115.8 0.08 . 1 . . . . 15 SER N . 16503 1 89 . 1 1 16 16 SER H H 1 8.284 0.005 . 1 . . . . 16 SER H . 16503 1 90 . 1 1 16 16 SER HA H 1 4.570 0.005 . 1 . . . . 16 SER HA . 16503 1 91 . 1 1 16 16 SER C C 13 175.1 0.1 . 1 . . . . 16 SER C . 16503 1 92 . 1 1 16 16 SER CA C 13 58.99 0.05 . 1 . . . . 16 SER CA . 16503 1 93 . 1 1 16 16 SER CB C 13 63.75 0.05 . 1 . . . . 16 SER CB . 16503 1 94 . 1 1 16 16 SER N N 15 117.2 0.08 . 1 . . . . 16 SER N . 16503 1 95 . 1 1 17 17 THR H H 1 8.098 0.005 . 1 . . . . 17 THR H . 16503 1 96 . 1 1 17 17 THR HA H 1 4.436 0.005 . 1 . . . . 17 THR HA . 16503 1 97 . 1 1 17 17 THR C C 13 175.0 0.1 . 1 . . . . 17 THR C . 16503 1 98 . 1 1 17 17 THR CA C 13 62.38 0.05 . 1 . . . . 17 THR CA . 16503 1 99 . 1 1 17 17 THR CB C 13 69.61 0.05 . 1 . . . . 17 THR CB . 16503 1 100 . 1 1 17 17 THR N N 15 114.7 0.08 . 1 . . . . 17 THR N . 16503 1 101 . 1 1 18 18 SER H H 1 8.187 0.005 . 1 . . . . 18 SER H . 16503 1 102 . 1 1 18 18 SER HA H 1 4.526 0.005 . 1 . . . . 18 SER HA . 16503 1 103 . 1 1 18 18 SER C C 13 175.0 0.1 . 1 . . . . 18 SER C . 16503 1 104 . 1 1 18 18 SER CA C 13 58.92 0.05 . 1 . . . . 18 SER CA . 16503 1 105 . 1 1 18 18 SER CB C 13 63.85 0.05 . 1 . . . . 18 SER CB . 16503 1 106 . 1 1 18 18 SER N N 15 117.4 0.08 . 1 . . . . 18 SER N . 16503 1 107 . 1 1 19 19 ALA H H 1 8.252 0.005 . 1 . . . . 19 ALA H . 16503 1 108 . 1 1 19 19 ALA HA H 1 4.337 0.005 . 1 . . . . 19 ALA HA . 16503 1 109 . 1 1 19 19 ALA C C 13 178.1 0.1 . 1 . . . . 19 ALA C . 16503 1 110 . 1 1 19 19 ALA CA C 13 53.44 0.05 . 1 . . . . 19 ALA CA . 16503 1 111 . 1 1 19 19 ALA CB C 13 18.85 0.05 . 1 . . . . 19 ALA CB . 16503 1 112 . 1 1 19 19 ALA N N 15 125.5 0.08 . 1 . . . . 19 ALA N . 16503 1 113 . 1 1 20 20 ALA H H 1 8.099 0.005 . 1 . . . . 20 ALA H . 16503 1 114 . 1 1 20 20 ALA HA H 1 4.336 0.005 . 1 . . . . 20 ALA HA . 16503 1 115 . 1 1 20 20 ALA C C 13 178.3 0.1 . 1 . . . . 20 ALA C . 16503 1 116 . 1 1 20 20 ALA CA C 13 53.28 0.05 . 1 . . . . 20 ALA CA . 16503 1 117 . 1 1 20 20 ALA CB C 13 18.86 0.05 . 1 . . . . 20 ALA CB . 16503 1 118 . 1 1 20 20 ALA N N 15 121.5 0.08 . 1 . . . . 20 ALA N . 16503 1 119 . 1 1 21 21 SER H H 1 8.085 0.005 . 1 . . . . 21 SER H . 16503 1 120 . 1 1 21 21 SER HA H 1 4.500 0.005 . 1 . . . . 21 SER HA . 16503 1 121 . 1 1 21 21 SER C C 13 175.4 0.1 . 1 . . . . 21 SER C . 16503 1 122 . 1 1 21 21 SER CA C 13 59.18 0.05 . 1 . . . . 21 SER CA . 16503 1 123 . 1 1 21 21 SER CB C 13 63.82 0.05 . 1 . . . . 21 SER CB . 16503 1 124 . 1 1 21 21 SER N N 15 113.7 0.08 . 1 . . . . 21 SER N . 16503 1 125 . 1 1 22 22 SER H H 1 8.218 0.005 . 1 . . . . 22 SER H . 16503 1 126 . 1 1 22 22 SER HA H 1 4.520 0.005 . 1 . . . . 22 SER HA . 16503 1 127 . 1 1 22 22 SER C C 13 175.6 0.1 . 1 . . . . 22 SER C . 16503 1 128 . 1 1 22 22 SER CA C 13 59.43 0.05 . 1 . . . . 22 SER CA . 16503 1 129 . 1 1 22 22 SER CB C 13 63.69 0.05 . 1 . . . . 22 SER CB . 16503 1 130 . 1 1 22 22 SER N N 15 117.2 0.08 . 1 . . . . 22 SER N . 16503 1 131 . 1 1 23 23 SER H H 1 8.200 0.005 . 1 . . . . 23 SER H . 16503 1 132 . 1 1 23 23 SER HA H 1 4.469 0.005 . 1 . . . . 23 SER HA . 16503 1 133 . 1 1 23 23 SER C C 13 175.0 0.1 . 1 . . . . 23 SER C . 16503 1 134 . 1 1 23 23 SER CA C 13 59.53 0.05 . 1 . . . . 23 SER CA . 16503 1 135 . 1 1 23 23 SER CB C 13 63.58 0.05 . 1 . . . . 23 SER CB . 16503 1 136 . 1 1 23 23 SER N N 15 117.0 0.08 . 1 . . . . 23 SER N . 16503 1 137 . 1 1 24 24 ASN H H 1 8.272 0.005 . 1 . . . . 24 ASN H . 16503 1 138 . 1 1 24 24 ASN HA H 1 4.736 0.005 . 1 . . . . 24 ASN HA . 16503 1 139 . 1 1 24 24 ASN C C 13 176.1 0.1 . 1 . . . . 24 ASN C . 16503 1 140 . 1 1 24 24 ASN CA C 13 54.60 0.05 . 1 . . . . 24 ASN CA . 16503 1 141 . 1 1 24 24 ASN CB C 13 38.73 0.05 . 1 . . . . 24 ASN CB . 16503 1 142 . 1 1 24 24 ASN N N 15 120.5 0.08 . 1 . . . . 24 ASN N . 16503 1 143 . 1 1 25 25 TYR H H 1 8.192 0.005 . 1 . . . . 25 TYR H . 16503 1 144 . 1 1 25 25 TYR HA H 1 4.366 0.005 . 1 . . . . 25 TYR HA . 16503 1 145 . 1 1 25 25 TYR C C 13 177.1 0.1 . 1 . . . . 25 TYR C . 16503 1 146 . 1 1 25 25 TYR CA C 13 60.57 0.05 . 1 . . . . 25 TYR CA . 16503 1 147 . 1 1 25 25 TYR CB C 13 38.51 0.05 . 1 . . . . 25 TYR CB . 16503 1 148 . 1 1 25 25 TYR N N 15 120.7 0.08 . 1 . . . . 25 TYR N . 16503 1 149 . 1 1 26 26 CYS H H 1 8.396 0.005 . 1 . . . . 26 CYS H . 16503 1 150 . 1 1 26 26 CYS HA H 1 4.470 0.005 . 1 . . . . 26 CYS HA . 16503 1 151 . 1 1 26 26 CYS C C 13 176.0 0.1 . 1 . . . . 26 CYS C . 16503 1 152 . 1 1 26 26 CYS CA C 13 57.20 0.05 . 1 . . . . 26 CYS CA . 16503 1 153 . 1 1 26 26 CYS N N 15 117.4 0.08 . 1 . . . . 26 CYS N . 16503 1 154 . 1 1 27 27 ASN H H 1 8.314 0.005 . 1 . . . . 27 ASN H . 16503 1 155 . 1 1 27 27 ASN C C 13 177.9 0.1 . 1 . . . . 27 ASN C . 16503 1 156 . 1 1 27 27 ASN CA C 13 55.48 0.05 . 1 . . . . 27 ASN CA . 16503 1 157 . 1 1 27 27 ASN CB C 13 38.43 0.05 . 1 . . . . 27 ASN CB . 16503 1 158 . 1 1 27 27 ASN N N 15 119.2 0.08 . 1 . . . . 27 ASN N . 16503 1 159 . 1 1 28 28 GLN H H 1 8.188 0.005 . 1 . . . . 28 GLN H . 16503 1 160 . 1 1 28 28 GLN HA H 1 4.245 0.05 . 1 . . . . 28 GLN HA . 16503 1 161 . 1 1 28 28 GLN C C 13 177.9 0.1 . 1 . . . . 28 GLN C . 16503 1 162 . 1 1 28 28 GLN CA C 13 57.43 0.05 . 1 . . . . 28 GLN CA . 16503 1 163 . 1 1 28 28 GLN CB C 13 28.32 0.05 . 1 . . . . 28 GLN CB . 16503 1 164 . 1 1 28 28 GLN N N 15 119.0 0.08 . 1 . . . . 28 GLN N . 16503 1 165 . 1 1 29 29 MET H H 1 8.098 0.005 . 1 . . . . 29 MET H . 16503 1 166 . 1 1 29 29 MET HA H 1 4.364 0.005 . 1 . . . . 29 MET HA . 16503 1 167 . 1 1 29 29 MET C C 13 177.9 0.1 . 1 . . . . 29 MET C . 16503 1 168 . 1 1 29 29 MET CA C 13 57.34 0.05 . 1 . . . . 29 MET CA . 16503 1 169 . 1 1 29 29 MET CB C 13 32.03 0.05 . 1 . . . . 29 MET CB . 16503 1 170 . 1 1 29 29 MET N N 15 118.5 0.08 . 1 . . . . 29 MET N . 16503 1 171 . 1 1 30 30 MET H H 1 8.074 0.005 . 1 . . . . 30 MET H . 16503 1 172 . 1 1 30 30 MET HA H 1 4.403 0.005 . 1 . . . . 30 MET HA . 16503 1 173 . 1 1 30 30 MET C C 13 177.5 0.1 . 1 . . . . 30 MET C . 16503 1 174 . 1 1 30 30 MET CA C 13 57.06 0.05 . 1 . . . . 30 MET CA . 16503 1 175 . 1 1 30 30 MET CB C 13 32.42 0.05 . 1 . . . . 30 MET CB . 16503 1 176 . 1 1 30 30 MET N N 15 118.5 0.08 . 1 . . . . 30 MET N . 16503 1 177 . 1 1 31 31 LYS H H 1 7.920 0.005 . 1 . . . . 31 LYS H . 16503 1 178 . 1 1 31 31 LYS HA H 1 4.253 0.005 . 1 . . . . 31 LYS HA . 16503 1 179 . 1 1 31 31 LYS C C 13 177.4 0.1 . 1 . . . . 31 LYS C . 16503 1 180 . 1 1 31 31 LYS CA C 13 57.86 0.05 . 1 . . . . 31 LYS CA . 16503 1 181 . 1 1 31 31 LYS CB C 13 32.66 0.05 . 1 . . . . 31 LYS CB . 16503 1 182 . 1 1 31 31 LYS N N 15 119.4 0.08 . 1 . . . . 31 LYS N . 16503 1 183 . 1 1 32 32 SER H H 1 7.953 0.005 . 1 . . . . 32 SER H . 16503 1 184 . 1 1 32 32 SER HA H 1 4.424 0.005 . 1 . . . . 32 SER HA . 16503 1 185 . 1 1 32 32 SER C C 13 175.3 0.1 . 1 . . . . 32 SER C . 16503 1 186 . 1 1 32 32 SER CA C 13 59.47 0.05 . 1 . . . . 32 SER CA . 16503 1 187 . 1 1 32 32 SER CB C 13 63.77 0.05 . 1 . . . . 32 SER CB . 16503 1 188 . 1 1 32 32 SER N N 15 114.1 0.08 . 1 . . . . 32 SER N . 16503 1 189 . 1 1 33 33 ARG H H 1 8.111 0.005 . 1 . . . . 33 ARG H . 16503 1 190 . 1 1 33 33 ARG HA H 1 4.326 0.005 . 1 . . . . 33 ARG HA . 16503 1 191 . 1 1 33 33 ARG C C 13 176.4 0.1 . 1 . . . . 33 ARG C . 16503 1 192 . 1 1 33 33 ARG CA C 13 57.09 0.05 . 1 . . . . 33 ARG CA . 16503 1 193 . 1 1 33 33 ARG CB C 13 30.39 0.05 . 1 . . . . 33 ARG CB . 16503 1 194 . 1 1 33 33 ARG N N 15 121.6 0.08 . 1 . . . . 33 ARG N . 16503 1 195 . 1 1 34 34 ASN H H 1 8.238 0.005 . 1 . . . . 34 ASN H . 16503 1 196 . 1 1 34 34 ASN HA H 1 4.705 0.005 . 1 . . . . 34 ASN HA . 16503 1 197 . 1 1 34 34 ASN C C 13 175.6 0.1 . 1 . . . . 34 ASN C . 16503 1 198 . 1 1 34 34 ASN CA C 13 53.93 0.05 . 1 . . . . 34 ASN CA . 16503 1 199 . 1 1 34 34 ASN CB C 13 38.59 0.05 . 1 . . . . 34 ASN CB . 16503 1 200 . 1 1 34 34 ASN N N 15 117.9 0.08 . 1 . . . . 34 ASN N . 16503 1 201 . 1 1 35 35 LEU H H 1 8.056 0.005 . 1 . . . . 35 LEU H . 16503 1 202 . 1 1 35 35 LEU HA H 1 4.413 0.005 . 1 . . . . 35 LEU HA . 16503 1 203 . 1 1 35 35 LEU C C 13 177.7 0.1 . 1 . . . . 35 LEU C . 16503 1 204 . 1 1 35 35 LEU CA C 13 55.88 0.05 . 1 . . . . 35 LEU CA . 16503 1 205 . 1 1 35 35 LEU CB C 13 42.20 0.05 . 1 . . . . 35 LEU CB . 16503 1 206 . 1 1 35 35 LEU N N 15 121.0 0.08 . 1 . . . . 35 LEU N . 16503 1 207 . 1 1 36 36 THR H H 1 7.923 0.005 . 1 . . . . 36 THR H . 16503 1 208 . 1 1 36 36 THR HA H 1 4.356 0.005 . 1 . . . . 36 THR HA . 16503 1 209 . 1 1 36 36 THR C C 13 175.0 0.1 . 1 . . . . 36 THR C . 16503 1 210 . 1 1 36 36 THR CA C 13 62.65 0.05 . 1 . . . . 36 THR CA . 16503 1 211 . 1 1 36 36 THR CB C 13 69.74 0.05 . 1 . . . . 36 THR CB . 16503 1 212 . 1 1 36 36 THR N N 15 112.3 0.08 . 1 . . . . 36 THR N . 16503 1 213 . 1 1 37 37 LYS H H 1 8.063 0.005 . 1 . . . . 37 LYS H . 16503 1 214 . 1 1 37 37 LYS HA H 1 4.566 0.005 . 1 . . . . 37 LYS HA . 16503 1 215 . 1 1 37 37 LYS C C 13 176.4 0.1 . 1 . . . . 37 LYS C . 16503 1 216 . 1 1 37 37 LYS CA C 13 56.93 0.05 . 1 . . . . 37 LYS CA . 16503 1 217 . 1 1 37 37 LYS CB C 13 32.69 0.05 . 1 . . . . 37 LYS CB . 16503 1 218 . 1 1 37 37 LYS N N 15 121.4 0.08 . 1 . . . . 37 LYS N . 16503 1 219 . 1 1 38 38 ASP H H 1 8.245 0.005 . 1 . . . . 38 ASP H . 16503 1 220 . 1 1 38 38 ASP HA H 1 4.770 0.005 . 1 . . . . 38 ASP HA . 16503 1 221 . 1 1 38 38 ASP C C 13 175.1 0.1 . 1 . . . . 38 ASP C . 16503 1 222 . 1 1 38 38 ASP CA C 13 53.40 0.05 . 1 . . . . 38 ASP CA . 16503 1 223 . 1 1 38 38 ASP CB C 13 38.51 0.05 . 1 . . . . 38 ASP CB . 16503 1 224 . 1 1 38 38 ASP N N 15 118.4 0.08 . 1 . . . . 38 ASP N . 16503 1 225 . 1 1 39 39 ARG H H 1 8.077 0.005 . 1 . . . . 39 ARG H . 16503 1 226 . 1 1 39 39 ARG C C 13 175.8 0.1 . 1 . . . . 39 ARG C . 16503 1 227 . 1 1 39 39 ARG CA C 13 56.22 0.05 . 1 . . . . 39 ARG CA . 16503 1 228 . 1 1 39 39 ARG CB C 13 30.78 0.05 . 1 . . . . 39 ARG CB . 16503 1 229 . 1 1 39 39 ARG N N 15 120.1 0.08 . 1 . . . . 39 ARG N . 16503 1 230 . 1 1 40 40 CYS H H 1 8.206 0.005 . 1 . . . . 40 CYS H . 16503 1 231 . 1 1 40 40 CYS C C 13 173.8 0.1 . 1 . . . . 40 CYS C . 16503 1 232 . 1 1 40 40 CYS CA C 13 54.91 0.05 . 1 . . . . 40 CYS CA . 16503 1 233 . 1 1 40 40 CYS CB C 13 40.60 0.05 . 1 . . . . 40 CYS CB . 16503 1 234 . 1 1 40 40 CYS N N 15 117.8 0.08 . 1 . . . . 40 CYS N . 16503 1 235 . 1 1 41 41 LYS H H 1 8.326 0.005 . 1 . . . . 41 LYS H . 16503 1 236 . 1 1 41 41 LYS HA H 1 4.680 0.005 . 1 . . . . 41 LYS HA . 16503 1 237 . 1 1 41 41 LYS CA C 13 54.32 0.05 . 1 . . . . 41 LYS CA . 16503 1 238 . 1 1 41 41 LYS CB C 13 32.91 0.05 . 1 . . . . 41 LYS CB . 16503 1 239 . 1 1 41 41 LYS N N 15 123.4 0.08 . 1 . . . . 41 LYS N . 16503 1 240 . 1 1 42 42 PRO HA H 1 4.507 0.005 . 1 . . . . 42 PRO HA . 16503 1 241 . 1 1 42 42 PRO C C 13 176.6 0.1 . 1 . . . . 42 PRO C . 16503 1 242 . 1 1 42 42 PRO CA C 13 63.3 0.05 . 1 . . . . 42 PRO CA . 16503 1 243 . 1 1 42 42 PRO CB C 13 31.96 0.05 . 1 . . . . 42 PRO CB . 16503 1 244 . 1 1 43 43 VAL H H 1 8.079 0.005 . 1 . . . . 43 VAL H . 16503 1 245 . 1 1 43 43 VAL HA H 1 4.161 0.005 . 1 . . . . 43 VAL HA . 16503 1 246 . 1 1 43 43 VAL C C 13 175.7 0.1 . 1 . . . . 43 VAL C . 16503 1 247 . 1 1 43 43 VAL CA C 13 62.2 0.05 . 1 . . . . 43 VAL CA . 16503 1 248 . 1 1 43 43 VAL CB C 13 33.15 0.05 . 1 . . . . 43 VAL CB . 16503 1 249 . 1 1 43 43 VAL N N 15 119.1 0.08 . 1 . . . . 43 VAL N . 16503 1 250 . 1 1 44 44 ASN H H 1 8.339 0.005 . 1 . . . . 44 ASN H . 16503 1 251 . 1 1 44 44 ASN HA H 1 4.811 0.005 . 1 . . . . 44 ASN HA . 16503 1 252 . 1 1 44 44 ASN C C 13 175.3 0.1 . 1 . . . . 44 ASN C . 16503 1 253 . 1 1 44 44 ASN CA C 13 53.34 0.05 . 1 . . . . 44 ASN CA . 16503 1 254 . 1 1 44 44 ASN CB C 13 38.83 0.05 . 1 . . . . 44 ASN CB . 16503 1 255 . 1 1 44 44 ASN N N 15 121.2 0.08 . 1 . . . . 44 ASN N . 16503 1 256 . 1 1 45 45 THR H H 1 7.964 0.005 . 1 . . . . 45 THR H . 16503 1 257 . 1 1 45 45 THR HA H 1 4.315 0.005 . 1 . . . . 45 THR HA . 16503 1 258 . 1 1 45 45 THR C C 13 174.3 0.1 . 1 . . . . 45 THR C . 16503 1 259 . 1 1 45 45 THR CA C 13 62.26 0.05 . 1 . . . . 45 THR CA . 16503 1 260 . 1 1 45 45 THR CB C 13 69.59 0.05 . 1 . . . . 45 THR CB . 16503 1 261 . 1 1 45 45 THR N N 15 113.8 0.08 . 1 . . . . 45 THR N . 16503 1 262 . 1 1 46 46 PHE H H 1 8.097 0.005 . 1 . . . . 46 PHE H . 16503 1 263 . 1 1 46 46 PHE HA H 1 4.663 0.005 . 1 . . . . 46 PHE HA . 16503 1 264 . 1 1 46 46 PHE C C 13 175.9 0.1 . 1 . . . . 46 PHE C . 16503 1 265 . 1 1 46 46 PHE CA C 13 58.18 0.05 . 1 . . . . 46 PHE CA . 16503 1 266 . 1 1 46 46 PHE CB C 13 39.20 0.05 . 1 . . . . 46 PHE CB . 16503 1 267 . 1 1 46 46 PHE N N 15 121.3 0.08 . 1 . . . . 46 PHE N . 16503 1 268 . 1 1 47 47 VAL H H 1 7.879 0.005 . 1 . . . . 47 VAL H . 16503 1 269 . 1 1 47 47 VAL HA H 1 4.050 0.005 . 1 . . . . 47 VAL HA . 16503 1 270 . 1 1 47 47 VAL C C 13 175.8 0.1 . 1 . . . . 47 VAL C . 16503 1 271 . 1 1 47 47 VAL CA C 13 62.74 0.05 . 1 . . . . 47 VAL CA . 16503 1 272 . 1 1 47 47 VAL CB C 13 32.72 0.05 . 1 . . . . 47 VAL CB . 16503 1 273 . 1 1 47 47 VAL N N 15 119.9 0.08 . 1 . . . . 47 VAL N . 16503 1 274 . 1 1 48 48 HIS H H 1 8.373 0.005 . 1 . . . . 48 HIS H . 16503 1 275 . 1 1 48 48 HIS HA H 1 4.719 0.005 . 1 . . . . 48 HIS HA . 16503 1 276 . 1 1 48 48 HIS C C 13 174.3 0.1 . 1 . . . . 48 HIS C . 16503 1 277 . 1 1 48 48 HIS CA C 13 55.66 0.05 . 1 . . . . 48 HIS CA . 16503 1 278 . 1 1 48 48 HIS CB C 13 28.72 0.05 . 1 . . . . 48 HIS CB . 16503 1 279 . 1 1 48 48 HIS N N 15 120.7 0.08 . 1 . . . . 48 HIS N . 16503 1 280 . 1 1 49 49 GLU H H 1 8.273 0.005 . 1 . . . . 49 GLU H . 16503 1 281 . 1 1 49 49 GLU HA H 1 4.465 0.005 . 1 . . . . 49 GLU HA . 16503 1 282 . 1 1 49 49 GLU C C 13 175.7 0.1 . 1 . . . . 49 GLU C . 16503 1 283 . 1 1 49 49 GLU CA C 13 56.03 0.05 . 1 . . . . 49 GLU CA . 16503 1 284 . 1 1 49 49 GLU CB C 13 29.32 0.05 . 1 . . . . 49 GLU CB . 16503 1 285 . 1 1 49 49 GLU N N 15 120.9 0.08 . 1 . . . . 49 GLU N . 16503 1 286 . 1 1 50 50 SER H H 1 8.305 0.005 . 1 . . . . 50 SER H . 16503 1 287 . 1 1 50 50 SER HA H 1 4.556 0.005 . 1 . . . . 50 SER HA . 16503 1 288 . 1 1 50 50 SER C C 13 175.0 0.1 . 1 . . . . 50 SER C . 16503 1 289 . 1 1 50 50 SER CA C 13 58.17 0.05 . 1 . . . . 50 SER CA . 16503 1 290 . 1 1 50 50 SER CB C 13 64.35 0.05 . 1 . . . . 50 SER CB . 16503 1 291 . 1 1 50 50 SER N N 15 117.0 0.08 . 1 . . . . 50 SER N . 16503 1 292 . 1 1 51 51 LEU H H 1 8.350 0.005 . 1 . . . . 51 LEU H . 16503 1 293 . 1 1 51 51 LEU HA H 1 4.269 0.005 . 1 . . . . 51 LEU HA . 16503 1 294 . 1 1 51 51 LEU C C 13 177.9 0.1 . 1 . . . . 51 LEU C . 16503 1 295 . 1 1 51 51 LEU CA C 13 56.70 0.05 . 1 . . . . 51 LEU CA . 16503 1 296 . 1 1 51 51 LEU CB C 13 41.85 0.05 . 1 . . . . 51 LEU CB . 16503 1 297 . 1 1 51 51 LEU N N 15 123.2 0.08 . 1 . . . . 51 LEU N . 16503 1 298 . 1 1 52 52 ALA H H 1 8.100 0.005 . 1 . . . . 52 ALA H . 16503 1 299 . 1 1 52 52 ALA HA H 1 4.258 0.005 . 1 . . . . 52 ALA HA . 16503 1 300 . 1 1 52 52 ALA C C 13 178.7 0.1 . 1 . . . . 52 ALA C . 16503 1 301 . 1 1 52 52 ALA CA C 13 53.86 0.05 . 1 . . . . 52 ALA CA . 16503 1 302 . 1 1 52 52 ALA CB C 13 18.57 0.05 . 1 . . . . 52 ALA CB . 16503 1 303 . 1 1 52 52 ALA N N 15 121.3 0.08 . 1 . . . . 52 ALA N . 16503 1 304 . 1 1 53 53 ASP H H 1 8.003 0.005 . 1 . . . . 53 ASP H . 16503 1 305 . 1 1 53 53 ASP HA H 1 4.653 0.005 . 1 . . . . 53 ASP HA . 16503 1 306 . 1 1 53 53 ASP C C 13 176.1 0.1 . 1 . . . . 53 ASP C . 16503 1 307 . 1 1 53 53 ASP CA C 13 54.46 0.05 . 1 . . . . 53 ASP CA . 16503 1 308 . 1 1 53 53 ASP CB C 13 38.15 0.05 . 1 . . . . 53 ASP CB . 16503 1 309 . 1 1 53 53 ASP N N 15 117.0 0.08 . 1 . . . . 53 ASP N . 16503 1 310 . 1 1 54 54 VAL H H 1 7.868 0.005 . 1 . . . . 54 VAL H . 16503 1 311 . 1 1 54 54 VAL HA H 1 3.874 0.005 . 1 . . . . 54 VAL HA . 16503 1 312 . 1 1 54 54 VAL C C 13 176.9 0.1 . 1 . . . . 54 VAL C . 16503 1 313 . 1 1 54 54 VAL CA C 13 64.88 0.05 . 1 . . . . 54 VAL CA . 16503 1 314 . 1 1 54 54 VAL CB C 13 32.14 0.05 . 1 . . . . 54 VAL CB . 16503 1 315 . 1 1 54 54 VAL N N 15 119.7 0.08 . 1 . . . . 54 VAL N . 16503 1 316 . 1 1 55 55 GLN H H 1 8.287 0.005 . 1 . . . . 55 GLN H . 16503 1 317 . 1 1 55 55 GLN HA H 1 4.369 0.005 . 1 . . . . 55 GLN HA . 16503 1 318 . 1 1 55 55 GLN C C 13 177.2 0.1 . 1 . . . . 55 GLN C . 16503 1 319 . 1 1 55 55 GLN CA C 13 57.79 0.05 . 1 . . . . 55 GLN CA . 16503 1 320 . 1 1 55 55 GLN CB C 13 28.72 0.05 . 1 . . . . 55 GLN CB . 16503 1 321 . 1 1 55 55 GLN N N 15 119.7 0.08 . 1 . . . . 55 GLN N . 16503 1 322 . 1 1 56 56 ALA H H 1 7.965 0.005 . 1 . . . . 56 ALA H . 16503 1 323 . 1 1 56 56 ALA HA H 1 4.322 0.005 . 1 . . . . 56 ALA HA . 16503 1 324 . 1 1 56 56 ALA C C 13 179.0 0.1 . 1 . . . . 56 ALA C . 16503 1 325 . 1 1 56 56 ALA CA C 13 54.05 0.05 . 1 . . . . 56 ALA CA . 16503 1 326 . 1 1 56 56 ALA CB C 13 18.85 0.05 . 1 . . . . 56 ALA CB . 16503 1 327 . 1 1 56 56 ALA N N 15 122.6 0.08 . 1 . . . . 56 ALA N . 16503 1 328 . 1 1 57 57 VAL H H 1 7.999 0.005 . 1 . . . . 57 VAL H . 16503 1 329 . 1 1 57 57 VAL HA H 1 3.988 0.005 . 1 . . . . 57 VAL HA . 16503 1 330 . 1 1 57 57 VAL C C 13 177.5 0.1 . 1 . . . . 57 VAL C . 16503 1 331 . 1 1 57 57 VAL CA C 13 64.34 0.05 . 1 . . . . 57 VAL CA . 16503 1 332 . 1 1 57 57 VAL CB C 13 32.06 0.05 . 1 . . . . 57 VAL CB . 16503 1 333 . 1 1 57 57 VAL N N 15 117.4 0.08 . 1 . . . . 57 VAL N . 16503 1 334 . 1 1 58 58 CYS H H 1 8.368 0.005 . 1 . . . . 58 CYS H . 16503 1 335 . 1 1 58 58 CYS C C 13 175.5 0.1 . 1 . . . . 58 CYS C . 16503 1 336 . 1 1 58 58 CYS CA C 13 56.08 0.005 . 1 . . . . 58 CYS CA . 16503 1 337 . 1 1 58 58 CYS N N 15 118.1 0.08 . 1 . . . . 58 CYS N . 16503 1 338 . 1 1 59 59 SER H H 1 8.125 0.005 . 1 . . . . 59 SER H . 16503 1 339 . 1 1 59 59 SER HA H 1 4.525 0.005 . 1 . . . . 59 SER HA . 16503 1 340 . 1 1 59 59 SER CA C 13 59.39 0.05 . 1 . . . . 59 SER CA . 16503 1 341 . 1 1 59 59 SER CB C 13 64.03 0.05 . 1 . . . . 59 SER CB . 16503 1 342 . 1 1 59 59 SER N N 15 115.5 0.08 . 1 . . . . 59 SER N . 16503 1 343 . 1 1 60 60 GLN H H 1 8.06 0.005 . 1 . . . . 60 GLN H . 16503 1 344 . 1 1 60 60 GLN HA H 1 4.718 0.005 . 1 . . . . 60 GLN HA . 16503 1 345 . 1 1 60 60 GLN C C 13 176.2 0.1 . 1 . . . . 60 GLN C . 16503 1 346 . 1 1 60 60 GLN CA C 13 56.60 0.05 . 1 . . . . 60 GLN CA . 16503 1 347 . 1 1 60 60 GLN CB C 13 29.22 0.05 . 1 . . . . 60 GLN CB . 16503 1 348 . 1 1 60 60 GLN N N 15 121.2 0.08 . 1 . . . . 60 GLN N . 16503 1 349 . 1 1 61 61 LYS H H 1 8.157 0.005 . 1 . . . . 61 LYS H . 16503 1 350 . 1 1 61 61 LYS HA H 1 4.338 0.005 . 1 . . . . 61 LYS HA . 16503 1 351 . 1 1 61 61 LYS C C 13 176.3 0.1 . 1 . . . . 61 LYS C . 16503 1 352 . 1 1 61 61 LYS CA C 13 56.74 0.05 . 1 . . . . 61 LYS CA . 16503 1 353 . 1 1 61 61 LYS CB C 13 33.02 0.05 . 1 . . . . 61 LYS CB . 16503 1 354 . 1 1 61 61 LYS N N 15 120.5 0.08 . 1 . . . . 61 LYS N . 16503 1 355 . 1 1 62 62 ASN H H 1 8.243 0.005 . 1 . . . . 62 ASN H . 16503 1 356 . 1 1 62 62 ASN HA H 1 4.785 0.005 . 1 . . . . 62 ASN HA . 16503 1 357 . 1 1 62 62 ASN C C 13 175.3 0.1 . 1 . . . . 62 ASN C . 16503 1 358 . 1 1 62 62 ASN CA C 13 53.61 0.05 . 1 . . . . 62 ASN CA . 16503 1 359 . 1 1 62 62 ASN CB C 13 38.95 0.05 . 1 . . . . 62 ASN CB . 16503 1 360 . 1 1 62 62 ASN N N 15 118.7 0.08 . 1 . . . . 62 ASN N . 16503 1 361 . 1 1 63 63 VAL H H 1 7.938 0.005 . 1 . . . . 63 VAL H . 16503 1 362 . 1 1 63 63 VAL HA H 1 4.133 0.005 . 1 . . . . 63 VAL HA . 16503 1 363 . 1 1 63 63 VAL C C 13 175.7 0.1 . 1 . . . . 63 VAL C . 16503 1 364 . 1 1 63 63 VAL CA C 13 62.68 0.05 . 1 . . . . 63 VAL CA . 16503 1 365 . 1 1 63 63 VAL CB C 13 32.70 0.05 . 1 . . . . 63 VAL CB . 16503 1 366 . 1 1 63 63 VAL N N 15 119.2 0.08 . 1 . . . . 63 VAL N . 16503 1 367 . 1 1 64 64 ALA H H 1 8.138 0.005 . 1 . . . . 64 ALA H . 16503 1 368 . 1 1 64 64 ALA HA H 1 4.398 0.005 . 1 . . . . 64 ALA HA . 16503 1 369 . 1 1 64 64 ALA C C 13 177.6 0.1 . 1 . . . . 64 ALA C . 16503 1 370 . 1 1 64 64 ALA CA C 13 52.75 0.05 . 1 . . . . 64 ALA CA . 16503 1 371 . 1 1 64 64 ALA CB C 13 19.33 0.05 . 1 . . . . 64 ALA CB . 16503 1 372 . 1 1 64 64 ALA N N 15 125.3 0.08 . 1 . . . . 64 ALA N . 16503 1 373 . 1 1 65 65 CYS H H 1 8.140 0.005 . 1 . . . . 65 CYS H . 16503 1 374 . 1 1 65 65 CYS HA H 1 4.720 0.005 . 1 . . . . 65 CYS HA . 16503 1 375 . 1 1 65 65 CYS C C 13 175.1 0.1 . 1 . . . . 65 CYS C . 16503 1 376 . 1 1 65 65 CYS CA C 13 55.31 0.05 . 1 . . . . 65 CYS CA . 16503 1 377 . 1 1 65 65 CYS CB C 13 41.01 0.05 . 1 . . . . 65 CYS CB . 16503 1 378 . 1 1 66 66 LYS H H 1 8.359 0.005 . 1 . . . . 66 LYS H . 16503 1 379 . 1 1 66 66 LYS HA H 1 4.375 0.005 . 1 . . . . 66 LYS HA . 16503 1 380 . 1 1 66 66 LYS C C 13 176.3 0.1 . 1 . . . . 66 LYS C . 16503 1 381 . 1 1 66 66 LYS CA C 13 56.72 0.05 . 1 . . . . 66 LYS CA . 16503 1 382 . 1 1 66 66 LYS CB C 13 33.12 0.05 . 1 . . . . 66 LYS CB . 16503 1 383 . 1 1 66 66 LYS N N 15 122.8 0.08 . 1 . . . . 66 LYS N . 16503 1 384 . 1 1 67 67 ASN H H 1 8.295 0.005 . 1 . . . . 67 ASN H . 16503 1 385 . 1 1 67 67 ASN HA H 1 4.669 0.005 . 1 . . . . 67 ASN HA . 16503 1 386 . 1 1 67 67 ASN C C 13 175.8 0.1 . 1 . . . . 67 ASN C . 16503 1 387 . 1 1 67 67 ASN CA C 13 53.87 0.05 . 1 . . . . 67 ASN CA . 16503 1 388 . 1 1 67 67 ASN CB C 13 38.35 0.05 . 1 . . . . 67 ASN CB . 16503 1 389 . 1 1 67 67 ASN N N 15 117.5 0.08 . 1 . . . . 67 ASN N . 16503 1 390 . 1 1 68 68 GLY H H 1 8.345 0.005 . 1 . . . . 68 GLY H . 16503 1 391 . 1 1 68 68 GLY HA2 H 1 4.018 0.005 . 1 . . . . 68 GLY HA2 . 16503 1 392 . 1 1 68 68 GLY HA3 H 1 4.018 0.005 . 1 . . . . 68 GLY HA3 . 16503 1 393 . 1 1 68 68 GLY C C 13 174.4 0.1 . 1 . . . . 68 GLY C . 16503 1 394 . 1 1 68 68 GLY CA C 13 45.69 0.05 . 1 . . . . 68 GLY CA . 16503 1 395 . 1 1 68 68 GLY N N 15 109.4 0.08 . 1 . . . . 68 GLY N . 16503 1 396 . 1 1 69 69 GLN H H 1 8.069 0.005 . 1 . . . . 69 GLN H . 16503 1 397 . 1 1 69 69 GLN HA H 1 4.470 0.005 . 1 . . . . 69 GLN HA . 16503 1 398 . 1 1 69 69 GLN C C 13 176.5 0.1 . 1 . . . . 69 GLN C . 16503 1 399 . 1 1 69 69 GLN CA C 13 56.16 0.05 . 1 . . . . 69 GLN CA . 16503 1 400 . 1 1 69 69 GLN CB C 13 29.38 0.05 . 1 . . . . 69 GLN CB . 16503 1 401 . 1 1 69 69 GLN N N 15 119.4 0.08 . 1 . . . . 69 GLN N . 16503 1 402 . 1 1 70 70 THR H H 1 8.182 0.005 . 1 . . . . 70 THR H . 16503 1 403 . 1 1 70 70 THR HA H 1 4.328 0.005 . 1 . . . . 70 THR HA . 16503 1 404 . 1 1 70 70 THR C C 13 174.6 0.1 . 1 . . . . 70 THR C . 16503 1 405 . 1 1 70 70 THR CA C 13 62.74 0.05 . 1 . . . . 70 THR CA . 16503 1 406 . 1 1 70 70 THR CB C 13 69.59 0.05 . 1 . . . . 70 THR CB . 16503 1 407 . 1 1 70 70 THR N N 15 113.3 0.08 . 1 . . . . 70 THR N . 16503 1 408 . 1 1 71 71 ASN H H 1 8.336 0.005 . 1 . . . . 71 ASN H . 16503 1 409 . 1 1 71 71 ASN HA H 1 4.758 0.005 . 1 . . . . 71 ASN HA . 16503 1 410 . 1 1 71 71 ASN C C 13 175.0 0.1 . 1 . . . . 71 ASN C . 16503 1 411 . 1 1 71 71 ASN CA C 13 53.49 0.05 . 1 . . . . 71 ASN CA . 16503 1 412 . 1 1 71 71 ASN CB C 13 37.99 0.05 . 1 . . . . 71 ASN CB . 16503 1 413 . 1 1 71 71 ASN N N 15 118.5 0.08 . 1 . . . . 71 ASN N . 16503 1 414 . 1 1 72 72 CYS H H 1 8.080 0.005 . 1 . . . . 72 CYS H . 16503 1 415 . 1 1 72 72 CYS HA H 1 4.613 0.005 . 1 . . . . 72 CYS HA . 16503 1 416 . 1 1 72 72 CYS C C 13 174.1 0.1 . 1 . . . . 72 CYS C . 16503 1 417 . 1 1 72 72 CYS CA C 13 56.98 0.05 . 1 . . . . 72 CYS CA . 16503 1 418 . 1 1 72 72 CYS CB C 13 41.40 0.05 . 1 . . . . 72 CYS CB . 16503 1 419 . 1 1 72 72 CYS N N 15 117.8 0.08 . 1 . . . . 72 CYS N . 16503 1 420 . 1 1 73 73 TYR H H 1 8.112 0.005 . 1 . . . . 73 TYR H . 16503 1 421 . 1 1 73 73 TYR HA H 1 4.555 0.005 . 1 . . . . 73 TYR HA . 16503 1 422 . 1 1 73 73 TYR C C 13 175.7 0.1 . 1 . . . . 73 TYR C . 16503 1 423 . 1 1 73 73 TYR CA C 13 58.42 0.05 . 1 . . . . 73 TYR CA . 16503 1 424 . 1 1 73 73 TYR CB C 13 38.65 0.05 . 1 . . . . 73 TYR CB . 16503 1 425 . 1 1 73 73 TYR N N 15 120.5 0.08 . 1 . . . . 73 TYR N . 16503 1 426 . 1 1 74 74 GLN H H 1 8.122 0.005 . 1 . . . . 74 GLN H . 16503 1 427 . 1 1 74 74 GLN HA H 1 4.370 0.005 . 1 . . . . 74 GLN HA . 16503 1 428 . 1 1 74 74 GLN C C 13 175.7 0.1 . 1 . . . . 74 GLN C . 16503 1 429 . 1 1 74 74 GLN CA C 13 56.09 0.05 . 1 . . . . 74 GLN CA . 16503 1 430 . 1 1 74 74 GLN CB C 13 29.71 0.05 . 1 . . . . 74 GLN CB . 16503 1 431 . 1 1 74 74 GLN N N 15 120.7 0.08 . 1 . . . . 74 GLN N . 16503 1 432 . 1 1 75 75 SER H H 1 8.153 0.005 . 1 . . . . 75 SER H . 16503 1 433 . 1 1 75 75 SER HA H 1 4.49 0.005 . 1 . . . . 75 SER HA . 16503 1 434 . 1 1 75 75 SER C C 13 174.2 0.1 . 1 . . . . 75 SER C . 16503 1 435 . 1 1 75 75 SER CA C 13 58.51 0.05 . 1 . . . . 75 SER CA . 16503 1 436 . 1 1 75 75 SER CB C 13 63.89 0.05 . 1 . . . . 75 SER CB . 16503 1 437 . 1 1 75 75 SER N N 15 116.3 0.08 . 1 . . . . 75 SER N . 16503 1 438 . 1 1 76 76 TYR H H 1 8.108 0.005 . 1 . . . . 76 TYR H . 16503 1 439 . 1 1 76 76 TYR HA H 1 4.638 0.005 . 1 . . . . 76 TYR HA . 16503 1 440 . 1 1 76 76 TYR C C 13 176.1 0.1 . 1 . . . . 76 TYR C . 16503 1 441 . 1 1 76 76 TYR CA C 13 58.45 0.05 . 1 . . . . 76 TYR CA . 16503 1 442 . 1 1 76 76 TYR CB C 13 38.79 0.05 . 1 . . . . 76 TYR CB . 16503 1 443 . 1 1 76 76 TYR N N 15 120.9 0.08 . 1 . . . . 76 TYR N . 16503 1 444 . 1 1 77 77 SER H H 1 8.178 0.005 . 1 . . . . 77 SER H . 16503 1 445 . 1 1 77 77 SER HA H 1 4.542 0.005 . 1 . . . . 77 SER HA . 16503 1 446 . 1 1 77 77 SER C C 13 174.9 0.1 . 1 . . . . 77 SER C . 16503 1 447 . 1 1 77 77 SER CA C 13 58.70 0.05 . 1 . . . . 77 SER CA . 16503 1 448 . 1 1 77 77 SER CB C 13 63.95 0.05 . 1 . . . . 77 SER CB . 16503 1 449 . 1 1 77 77 SER N N 15 115.8 0.08 . 1 . . . . 77 SER N . 16503 1 450 . 1 1 78 78 THR H H 1 8.073 0.005 . 1 . . . . 78 THR H . 16503 1 451 . 1 1 78 78 THR HA H 1 4.400 0.005 . 1 . . . . 78 THR HA . 16503 1 452 . 1 1 78 78 THR C C 13 174.9 0.1 . 1 . . . . 78 THR C . 16503 1 453 . 1 1 78 78 THR CA C 13 62.51 0.05 . 1 . . . . 78 THR CA . 16503 1 454 . 1 1 78 78 THR CB C 13 69.51 0.05 . 1 . . . . 78 THR CB . 16503 1 455 . 1 1 78 78 THR N N 15 115.1 0.08 . 1 . . . . 78 THR N . 16503 1 456 . 1 1 79 79 MET H H 1 8.137 0.005 . 1 . . . . 79 MET H . 16503 1 457 . 1 1 79 79 MET HA H 1 4.473 0.005 . 1 . . . . 79 MET HA . 16503 1 458 . 1 1 79 79 MET C C 13 176.1 0.1 . 1 . . . . 79 MET C . 16503 1 459 . 1 1 79 79 MET CA C 13 56.25 0.05 . 1 . . . . 79 MET CA . 16503 1 460 . 1 1 79 79 MET CB C 13 33.15 0.05 . 1 . . . . 79 MET CB . 16503 1 461 . 1 1 79 79 MET N N 15 121.5 0.08 . 1 . . . . 79 MET N . 16503 1 462 . 1 1 80 80 SER H H 1 8.135 0.005 . 1 . . . . 80 SER H . 16503 1 463 . 1 1 80 80 SER HA H 1 4.528 0.005 . 1 . . . . 80 SER HA . 16503 1 464 . 1 1 80 80 SER C C 13 174.8 0.1 . 1 . . . . 80 SER C . 16503 1 465 . 1 1 80 80 SER CA C 13 58.60 0.05 . 1 . . . . 80 SER CA . 16503 1 466 . 1 1 80 80 SER CB C 13 63.87 0.05 . 1 . . . . 80 SER CB . 16503 1 467 . 1 1 80 80 SER N N 15 115.9 0.08 . 1 . . . . 80 SER N . 16503 1 468 . 1 1 81 81 ILE H H 1 8.032 0.005 . 1 . . . . 81 ILE H . 16503 1 469 . 1 1 81 81 ILE HA H 1 4.274 0.005 . 1 . . . . 81 ILE HA . 16503 1 470 . 1 1 81 81 ILE C C 13 176.5 0.1 . 1 . . . . 81 ILE C . 16503 1 471 . 1 1 81 81 ILE CA C 13 62.07 0.05 . 1 . . . . 81 ILE CA . 16503 1 472 . 1 1 81 81 ILE CB C 13 38.69 0.05 . 1 . . . . 81 ILE CB . 16503 1 473 . 1 1 81 81 ILE N N 15 121.4 0.08 . 1 . . . . 81 ILE N . 16503 1 474 . 1 1 82 82 THR H H 1 7.985 0.005 . 1 . . . . 82 THR H . 16503 1 475 . 1 1 82 82 THR HA H 1 4.367 0.005 . 1 . . . . 82 THR HA . 16503 1 476 . 1 1 82 82 THR C C 13 174.7 0.1 . 1 . . . . 82 THR C . 16503 1 477 . 1 1 82 82 THR CA C 13 62.54 0.05 . 1 . . . . 82 THR CA . 16503 1 478 . 1 1 82 82 THR CB C 13 69.58 0.05 . 1 . . . . 82 THR CB . 16503 1 479 . 1 1 82 82 THR N N 15 115.4 0.08 . 1 . . . . 82 THR N . 16503 1 480 . 1 1 83 83 ASP H H 1 8.230 0.005 . 1 . . . . 83 ASP H . 16503 1 481 . 1 1 83 83 ASP HA H 1 4.802 0.005 . 1 . . . . 83 ASP HA . 16503 1 482 . 1 1 83 83 ASP C C 13 175.4 0.1 . 1 . . . . 83 ASP C . 16503 1 483 . 1 1 83 83 ASP CA C 13 53.50 0.05 . 1 . . . . 83 ASP CA . 16503 1 484 . 1 1 83 83 ASP CB C 13 38.68 0.05 . 1 . . . . 83 ASP CB . 16503 1 485 . 1 1 83 83 ASP N N 15 120.3 0.08 . 1 . . . . 83 ASP N . 16503 1 486 . 1 1 84 84 CYS H H 1 8.282 0.005 . 1 . . . . 84 CYS H . 16503 1 487 . 1 1 84 84 CYS HA H 1 4.597 0.005 . 1 . . . . 84 CYS HA . 16503 1 488 . 1 1 84 84 CYS C C 13 175.0 0.1 . 1 . . . . 84 CYS C . 16503 1 489 . 1 1 84 84 CYS CA C 13 54.85 0.05 . 1 . . . . 84 CYS CA . 16503 1 490 . 1 1 84 84 CYS CB C 13 39.94 0.05 . 1 . . . . 84 CYS CB . 16503 1 491 . 1 1 84 84 CYS N N 15 118.2 0.08 . 1 . . . . 84 CYS N . 16503 1 492 . 1 1 85 85 ARG H H 1 8.233 0.005 . 1 . . . . 85 ARG H . 16503 1 493 . 1 1 85 85 ARG HA H 1 4.277 0.005 . 1 . . . . 85 ARG HA . 16503 1 494 . 1 1 85 85 ARG C C 13 176.2 0.1 . 1 . . . . 85 ARG C . 16503 1 495 . 1 1 85 85 ARG CA C 13 54.94 0.05 . 1 . . . . 85 ARG CA . 16503 1 496 . 1 1 85 85 ARG CB C 13 29.34 0.05 . 1 . . . . 85 ARG CB . 16503 1 497 . 1 1 85 85 ARG N N 15 120.9 0.08 . 1 . . . . 85 ARG N . 16503 1 498 . 1 1 86 86 GLU H H 1 8.239 0.005 . 1 . . . . 86 GLU H . 16503 1 499 . 1 1 86 86 GLU C C 13 176.2 0.1 . 1 . . . . 86 GLU C . 16503 1 500 . 1 1 86 86 GLU CA C 13 56.00 0.05 . 1 . . . . 86 GLU CA . 16503 1 501 . 1 1 86 86 GLU CB C 13 29.00 0.05 . 1 . . . . 86 GLU CB . 16503 1 502 . 1 1 86 86 GLU N N 15 120.2 0.08 . 1 . . . . 86 GLU N . 16503 1 503 . 1 1 87 87 THR H H 1 8.107 0.005 . 1 . . . . 87 THR H . 16503 1 504 . 1 1 87 87 THR HA H 1 4.431 0.005 . 1 . . . . 87 THR HA . 16503 1 505 . 1 1 87 87 THR C C 13 175.1 0.1 . 1 . . . . 87 THR C . 16503 1 506 . 1 1 87 87 THR CA C 13 62.04 0.05 . 1 . . . . 87 THR CA . 16503 1 507 . 1 1 87 87 THR CB C 13 69.96 0.05 . 1 . . . . 87 THR CB . 16503 1 508 . 1 1 87 87 THR N N 15 113.7 0.08 . 1 . . . . 87 THR N . 16503 1 509 . 1 1 88 88 GLY H H 1 8.325 0.005 . 1 . . . . 88 GLY H . 16503 1 510 . 1 1 88 88 GLY HA2 H 1 4.069 0.005 . 1 . . . . 88 GLY HA2 . 16503 1 511 . 1 1 88 88 GLY HA3 H 1 4.069 0.005 . 1 . . . . 88 GLY HA3 . 16503 1 512 . 1 1 88 88 GLY C C 13 174.1 0.1 . 1 . . . . 88 GLY C . 16503 1 513 . 1 1 88 88 GLY CA C 13 45.57 0.05 . 1 . . . . 88 GLY CA . 16503 1 514 . 1 1 88 88 GLY N N 15 110.3 0.08 . 1 . . . . 88 GLY N . 16503 1 515 . 1 1 89 89 SER H H 1 8.121 0.005 . 1 . . . . 89 SER H . 16503 1 516 . 1 1 89 89 SER C C 13 174.7 0.1 . 1 . . . . 89 SER C . 16503 1 517 . 1 1 89 89 SER CA C 13 58.33 0.05 . 1 . . . . 89 SER CA . 16503 1 518 . 1 1 89 89 SER CB C 13 64.14 0.05 . 1 . . . . 89 SER CB . 16503 1 519 . 1 1 89 89 SER N N 15 114.7 0.08 . 1 . . . . 89 SER N . 16503 1 520 . 1 1 90 90 SER H H 1 8.208 0.005 . 1 . . . . 90 SER H . 16503 1 521 . 1 1 90 90 SER HA H 1 4.489 0.005 . 1 . . . . 90 SER HA . 16503 1 522 . 1 1 90 90 SER C C 13 174.3 0.1 . 1 . . . . 90 SER C . 16503 1 523 . 1 1 90 90 SER CA C 13 58.63 0.05 . 1 . . . . 90 SER CA . 16503 1 524 . 1 1 90 90 SER CB C 13 63.77 0.05 . 1 . . . . 90 SER CB . 16503 1 525 . 1 1 90 90 SER N N 15 117.2 0.08 . 1 . . . . 90 SER N . 16503 1 526 . 1 1 91 91 LYS H H 1 8.054 0.005 . 1 . . . . 91 LYS H . 16503 1 527 . 1 1 91 91 LYS HA H 1 4.300 0.005 . 1 . . . . 91 LYS HA . 16503 1 528 . 1 1 91 91 LYS C C 13 175.5 0.1 . 1 . . . . 91 LYS C . 16503 1 529 . 1 1 91 91 LYS CA C 13 56.41 0.05 . 1 . . . . 91 LYS CA . 16503 1 530 . 1 1 91 91 LYS CB C 13 33.10 0.05 . 1 . . . . 91 LYS CB . 16503 1 531 . 1 1 91 91 LYS N N 15 121.6 0.08 . 1 . . . . 91 LYS N . 16503 1 532 . 1 1 92 92 TYR H H 1 7.887 0.005 . 1 . . . . 92 TYR H . 16503 1 533 . 1 1 92 92 TYR HA H 1 4.888 0.005 . 1 . . . . 92 TYR HA . 16503 1 534 . 1 1 92 92 TYR CA C 13 55.41 0.1 . 1 . . . . 92 TYR CA . 16503 1 535 . 1 1 92 92 TYR CB C 13 38.49 0.05 . 1 . . . . 92 TYR CB . 16503 1 536 . 1 1 92 92 TYR N N 15 119.8 0.08 . 1 . . . . 92 TYR N . 16503 1 537 . 1 1 93 93 PRO HA H 1 4.503 0.005 . 1 . . . . 93 PRO HA . 16503 1 538 . 1 1 93 93 PRO C C 13 176.3 0.1 . 1 . . . . 93 PRO C . 16503 1 539 . 1 1 93 93 PRO CA C 13 63.25 0.05 . 1 . . . . 93 PRO CA . 16503 1 540 . 1 1 93 93 PRO CB C 13 31.99 0.05 . 1 . . . . 93 PRO CB . 16503 1 541 . 1 1 94 94 ASN H H 1 8.355 0.005 . 1 . . . . 94 ASN H . 16503 1 542 . 1 1 94 94 ASN HA H 1 4.816 0.005 . 1 . . . . 94 ASN HA . 16503 1 543 . 1 1 94 94 ASN C C 13 175.4 0.1 . 1 . . . . 94 ASN C . 16503 1 544 . 1 1 94 94 ASN CA C 13 53.32 0.05 . 1 . . . . 94 ASN CA . 16503 1 545 . 1 1 94 94 ASN CB C 13 38.85 0.05 . 1 . . . . 94 ASN CB . 16503 1 546 . 1 1 94 94 ASN N N 15 118.3 0.08 . 1 . . . . 94 ASN N . 16503 1 547 . 1 1 95 95 CYS H H 1 8.349 0.005 . 1 . . . . 95 CYS H . 16503 1 548 . 1 1 95 95 CYS HA H 1 4.749 0.005 . 1 . . . . 95 CYS HA . 16503 1 549 . 1 1 95 95 CYS C C 13 174.2 0.1 . 1 . . . . 95 CYS C . 16503 1 550 . 1 1 95 95 CYS CA C 13 55.40 0.05 . 1 . . . . 95 CYS CA . 16503 1 551 . 1 1 95 95 CYS CB C 13 40.81 0.05 . 1 . . . . 95 CYS CB . 16503 1 552 . 1 1 95 95 CYS N N 15 118.6 0.08 . 1 . . . . 95 CYS N . 16503 1 553 . 1 1 96 96 ALA H H 1 8.263 0.005 . 1 . . . . 96 ALA H . 16503 1 554 . 1 1 96 96 ALA HA H 1 4.393 0.005 . 1 . . . . 96 ALA HA . 16503 1 555 . 1 1 96 96 ALA C C 13 177.0 0.1 . 1 . . . . 96 ALA C . 16503 1 556 . 1 1 96 96 ALA CA C 13 52.72 0.05 . 1 . . . . 96 ALA CA . 16503 1 557 . 1 1 96 96 ALA CB C 13 19.17 0.05 . 1 . . . . 96 ALA CB . 16503 1 558 . 1 1 96 96 ALA N N 15 124.5 0.08 . 1 . . . . 96 ALA N . 16503 1 559 . 1 1 97 97 TYR H H 1 7.940 0.005 . 1 . . . . 97 TYR H . 16503 1 560 . 1 1 97 97 TYR HA H 1 4.622 0.005 . 1 . . . . 97 TYR HA . 16503 1 561 . 1 1 97 97 TYR C C 13 175.7 0.1 . 1 . . . . 97 TYR C . 16503 1 562 . 1 1 97 97 TYR CA C 13 58.06 0.05 . 1 . . . . 97 TYR CA . 16503 1 563 . 1 1 97 97 TYR CB C 13 38.58 0.05 . 1 . . . . 97 TYR CB . 16503 1 564 . 1 1 97 97 TYR N N 15 118.9 0.08 . 1 . . . . 97 TYR N . 16503 1 565 . 1 1 98 98 LYS H H 1 8.184 0.005 . 1 . . . . 98 LYS H . 16503 1 566 . 1 1 98 98 LYS C C 13 176.5 0.1 . 1 . . . . 98 LYS C . 16503 1 567 . 1 1 98 98 LYS CA C 13 56.47 0.05 . 1 . . . . 98 LYS CA . 16503 1 568 . 1 1 98 98 LYS N N 15 119.1 0.08 . 1 . . . . 98 LYS N . 16503 1 569 . 1 1 99 99 THR H H 1 8.103 0.005 . 1 . . . . 99 THR H . 16503 1 570 . 1 1 99 99 THR HA H 1 4.436 0.005 . 1 . . . . 99 THR HA . 16503 1 571 . 1 1 99 99 THR C C 13 174.8 0.1 . 1 . . . . 99 THR C . 16503 1 572 . 1 1 99 99 THR CA C 13 62.03 0.05 . 1 . . . . 99 THR CA . 16503 1 573 . 1 1 99 99 THR CB C 13 69.85 0.05 . 1 . . . . 99 THR CB . 16503 1 574 . 1 1 99 99 THR N N 15 114.5 0.08 . 1 . . . . 99 THR N . 16503 1 575 . 1 1 100 100 THR H H 1 8.120 0.005 . 1 . . . . 100 THR H . 16503 1 576 . 1 1 100 100 THR HA H 1 4.537 0.005 . 1 . . . . 100 THR HA . 16503 1 577 . 1 1 100 100 THR C C 13 174.8 0.1 . 1 . . . . 100 THR C . 16503 1 578 . 1 1 100 100 THR CA C 13 62.26 0.05 . 1 . . . . 100 THR CA . 16503 1 579 . 1 1 100 100 THR CB C 13 69.72 0.05 . 1 . . . . 100 THR CB . 16503 1 580 . 1 1 100 100 THR N N 15 115.1 0.08 . 1 . . . . 100 THR N . 16503 1 581 . 1 1 101 101 GLN H H 1 8.269 0.005 . 1 . . . . 101 GLN H . 16503 1 582 . 1 1 101 101 GLN HA H 1 4.347 0.005 . 1 . . . . 101 GLN HA . 16503 1 583 . 1 1 101 101 GLN C C 13 176.0 0.1 . 1 . . . . 101 GLN C . 16503 1 584 . 1 1 101 101 GLN CA C 13 56.43 0.05 . 1 . . . . 101 GLN CA . 16503 1 585 . 1 1 101 101 GLN CB C 13 29.33 0.05 . 1 . . . . 101 GLN CB . 16503 1 586 . 1 1 101 101 GLN N N 15 121.1 0.08 . 1 . . . . 101 GLN N . 16503 1 587 . 1 1 102 102 ALA H H 1 8.168 0.005 . 1 . . . . 102 ALA H . 16503 1 588 . 1 1 102 102 ALA HA H 1 4.305 0.005 . 1 . . . . 102 ALA HA . 16503 1 589 . 1 1 102 102 ALA C C 13 177.5 0.1 . 1 . . . . 102 ALA C . 16503 1 590 . 1 1 102 102 ALA CA C 13 53.16 0.05 . 1 . . . . 102 ALA CA . 16503 1 591 . 1 1 102 102 ALA CB C 13 19.02 0.05 . 1 . . . . 102 ALA CB . 16503 1 592 . 1 1 102 102 ALA N N 15 123.6 0.08 . 1 . . . . 102 ALA N . 16503 1 593 . 1 1 103 103 ASN H H 1 8.170 0.005 . 1 . . . . 103 ASN H . 16503 1 594 . 1 1 103 103 ASN HA H 1 4.683 0.005 . 1 . . . . 103 ASN HA . 16503 1 595 . 1 1 103 103 ASN C C 13 175.4 0.1 . 1 . . . . 103 ASN C . 16503 1 596 . 1 1 103 103 ASN CA C 13 53.52 0.05 . 1 . . . . 103 ASN CA . 16503 1 597 . 1 1 103 103 ASN CB C 13 38.67 0.05 . 1 . . . . 103 ASN CB . 16503 1 598 . 1 1 103 103 ASN N N 15 116.6 0.08 . 1 . . . . 103 ASN N . 16503 1 599 . 1 1 104 104 LYS H H 1 8.076 0.005 . 1 . . . . 104 LYS H . 16503 1 600 . 1 1 104 104 LYS HA H 1 4.285 0.005 . 1 . . . . 104 LYS HA . 16503 1 601 . 1 1 104 104 LYS C C 13 176.3 0.1 . 1 . . . . 104 LYS C . 16503 1 602 . 1 1 104 104 LYS CA C 13 56.84 0.05 . 1 . . . . 104 LYS CA . 16503 1 603 . 1 1 104 104 LYS CB C 13 32.87 0.05 . 1 . . . . 104 LYS CB . 16503 1 604 . 1 1 104 104 LYS N N 15 120.2 0.08 . 1 . . . . 104 LYS N . 16503 1 605 . 1 1 105 105 HIS H H 1 8.334 0.005 . 1 . . . . 105 HIS H . 16503 1 606 . 1 1 105 105 HIS HA H 1 4.757 0.005 . 1 . . . . 105 HIS HA . 16503 1 607 . 1 1 105 105 HIS C C 13 174.2 0.1 . 1 . . . . 105 HIS C . 16503 1 608 . 1 1 105 105 HIS CA C 13 55.62 0.05 . 1 . . . . 105 HIS CA . 16503 1 609 . 1 1 105 105 HIS CB C 13 28.93 0.05 . 1 . . . . 105 HIS CB . 16503 1 610 . 1 1 105 105 HIS N N 15 117.6 0.08 . 1 . . . . 105 HIS N . 16503 1 611 . 1 1 106 106 ILE H H 1 8.009 0.005 . 1 . . . . 106 ILE H . 16503 1 612 . 1 1 106 106 ILE HA H 1 4.207 0.005 . 1 . . . . 106 ILE HA . 16503 1 613 . 1 1 106 106 ILE C C 13 175.5 0.1 . 1 . . . . 106 ILE C . 16503 1 614 . 1 1 106 106 ILE CA C 13 61.44 0.05 . 1 . . . . 106 ILE CA . 16503 1 615 . 1 1 106 106 ILE CB C 13 38.38 0.05 . 1 . . . . 106 ILE CB . 16503 1 616 . 1 1 106 106 ILE N N 15 120.8 0.08 . 1 . . . . 106 ILE N . 16503 1 617 . 1 1 107 107 ILE H H 1 8.095 0.005 . 1 . . . . 107 ILE H . 16503 1 618 . 1 1 107 107 ILE HA H 1 4.220 0.005 . 1 . . . . 107 ILE HA . 16503 1 619 . 1 1 107 107 ILE C C 13 176.0 0.1 . 1 . . . . 107 ILE C . 16503 1 620 . 1 1 107 107 ILE CA C 13 61.37 0.05 . 1 . . . . 107 ILE CA . 16503 1 621 . 1 1 107 107 ILE CB C 13 38.55 0.05 . 1 . . . . 107 ILE CB . 16503 1 622 . 1 1 107 107 ILE N N 15 124.0 0.08 . 1 . . . . 107 ILE N . 16503 1 623 . 1 1 108 108 VAL H H 1 8.119 0.005 . 1 . . . . 108 VAL H . 16503 1 624 . 1 1 108 108 VAL HA H 1 4.454 0.005 . 1 . . . . 108 VAL HA . 16503 1 625 . 1 1 108 108 VAL C C 13 175.5 0.1 . 1 . . . . 108 VAL C . 16503 1 626 . 1 1 108 108 VAL CA C 13 62.30 0.05 . 1 . . . . 108 VAL CA . 16503 1 627 . 1 1 108 108 VAL CB C 13 32.81 0.05 . 1 . . . . 108 VAL CB . 16503 1 628 . 1 1 108 108 VAL N N 15 123.0 0.08 . 1 . . . . 108 VAL N . 16503 1 629 . 1 1 109 109 ALA H H 1 8.183 0.005 . 1 . . . . 109 ALA H . 16503 1 630 . 1 1 109 109 ALA HA H 1 4.498 0.005 . 1 . . . . 109 ALA HA . 16503 1 631 . 1 1 109 109 ALA C C 13 177.5 0.1 . 1 . . . . 109 ALA C . 16503 1 632 . 1 1 109 109 ALA CA C 13 52.44 0.05 . 1 . . . . 109 ALA CA . 16503 1 633 . 1 1 109 109 ALA CB C 13 19.46 0.05 . 1 . . . . 109 ALA CB . 16503 1 634 . 1 1 109 109 ALA N N 15 126.1 0.08 . 1 . . . . 109 ALA N . 16503 1 635 . 1 1 110 110 CYS H H 1 8.291 0.005 . 1 . . . . 110 CYS H . 16503 1 636 . 1 1 110 110 CYS HA H 1 4.745 0.005 . 1 . . . . 110 CYS HA . 16503 1 637 . 1 1 110 110 CYS C C 13 174.7 0.1 . 1 . . . . 110 CYS C . 16503 1 638 . 1 1 110 110 CYS CA C 13 53.92 0.05 . 1 . . . . 110 CYS CA . 16503 1 639 . 1 1 110 110 CYS CB C 13 38.63 0.05 . 1 . . . . 110 CYS CB . 16503 1 640 . 1 1 110 110 CYS N N 15 117.2 0.08 . 1 . . . . 110 CYS N . 16503 1 641 . 1 1 111 111 GLU H H 1 8.057 0.005 . 1 . . . . 111 GLU H . 16503 1 642 . 1 1 111 111 GLU HA H 1 4.462 0.005 . 1 . . . . 111 GLU HA . 16503 1 643 . 1 1 111 111 GLU C C 13 176.0 0.1 . 1 . . . . 111 GLU C . 16503 1 644 . 1 1 111 111 GLU CA C 13 55.95 0.05 . 1 . . . . 111 GLU CA . 16503 1 645 . 1 1 111 111 GLU CB C 13 29.14 0.05 . 1 . . . . 111 GLU CB . 16503 1 646 . 1 1 111 111 GLU N N 15 121.2 0.08 . 1 . . . . 111 GLU N . 16503 1 647 . 1 1 112 112 GLY H H 1 8.213 0.005 . 1 . . . . 112 GLY H . 16503 1 648 . 1 1 112 112 GLY HA2 H 1 3.982 0.005 . 1 . . . . 112 GLY HA2 . 16503 1 649 . 1 1 112 112 GLY HA3 H 1 3.982 0.005 . 1 . . . . 112 GLY HA3 . 16503 1 650 . 1 1 112 112 GLY C C 13 173.0 0.1 . 1 . . . . 112 GLY C . 16503 1 651 . 1 1 112 112 GLY CA C 13 45.08 0.05 . 1 . . . . 112 GLY CA . 16503 1 652 . 1 1 112 112 GLY N N 15 108.7 0.08 . 1 . . . . 112 GLY N . 16503 1 653 . 1 1 113 113 ASN H H 1 8.145 0.005 . 1 . . . . 113 ASN H . 16503 1 654 . 1 1 113 113 ASN HA H 1 5.031 0.005 . 1 . . . . 113 ASN HA . 16503 1 655 . 1 1 113 113 ASN CA C 13 51.03 0.05 . 1 . . . . 113 ASN CA . 16503 1 656 . 1 1 113 113 ASN CB C 13 39.26 0.05 . 1 . . . . 113 ASN CB . 16503 1 657 . 1 1 113 113 ASN N N 15 118.8 0.08 . 1 . . . . 113 ASN N . 16503 1 658 . 1 1 114 114 PRO HA H 1 4.468 0.005 . 1 . . . . 114 PRO HA . 16503 1 659 . 1 1 114 114 PRO C C 13 176.1 0.1 . 1 . . . . 114 PRO C . 16503 1 660 . 1 1 114 114 PRO CA C 13 63.40 0.05 . 1 . . . . 114 PRO CA . 16503 1 661 . 1 1 114 114 PRO CB C 13 31.97 0.05 . 1 . . . . 114 PRO CB . 16503 1 662 . 1 1 115 115 TYR H H 1 8.067 0.005 . 1 . . . . 115 TYR H . 16503 1 663 . 1 1 115 115 TYR HA H 1 4.583 0.005 . 1 . . . . 115 TYR HA . 16503 1 664 . 1 1 115 115 TYR C C 13 175.1 0.1 . 1 . . . . 115 TYR C . 16503 1 665 . 1 1 115 115 TYR CA C 13 57.94 0.05 . 1 . . . . 115 TYR CA . 16503 1 666 . 1 1 115 115 TYR CB C 13 38.52 0.05 . 1 . . . . 115 TYR CB . 16503 1 667 . 1 1 115 115 TYR N N 15 119.3 0.08 . 1 . . . . 115 TYR N . 16503 1 668 . 1 1 116 116 VAL H H 1 7.646 0.005 . 1 . . . . 116 VAL H . 16503 1 669 . 1 1 116 116 VAL HA H 1 4.407 0.005 . 1 . . . . 116 VAL HA . 16503 1 670 . 1 1 116 116 VAL CA C 13 59.36 0.05 . 1 . . . . 116 VAL CA . 16503 1 671 . 1 1 116 116 VAL CB C 13 33.15 0.05 . 1 . . . . 116 VAL CB . 16503 1 672 . 1 1 116 116 VAL N N 15 122.7 0.08 . 1 . . . . 116 VAL N . 16503 1 673 . 1 1 117 117 PRO HA H 1 4.445 0.005 . 1 . . . . 117 PRO HA . 16503 1 674 . 1 1 117 117 PRO C C 13 176.3 0.1 . 1 . . . . 117 PRO C . 16503 1 675 . 1 1 117 117 PRO CA C 13 63.03 0.05 . 1 . . . . 117 PRO CA . 16503 1 676 . 1 1 117 117 PRO CB C 13 31.91 0.05 . 1 . . . . 117 PRO CB . 16503 1 677 . 1 1 118 118 VAL H H 1 7.853 0.005 . 1 . . . . 118 VAL H . 16503 1 678 . 1 1 118 118 VAL HA H 1 4.103 0.005 . 1 . . . . 118 VAL HA . 16503 1 679 . 1 1 118 118 VAL C C 13 175.6 0.1 . 1 . . . . 118 VAL C . 16503 1 680 . 1 1 118 118 VAL CA C 13 62.05 0.05 . 1 . . . . 118 VAL CA . 16503 1 681 . 1 1 118 118 VAL CB C 13 33.02 0.05 . 1 . . . . 118 VAL CB . 16503 1 682 . 1 1 118 118 VAL N N 15 119.0 0.08 . 1 . . . . 118 VAL N . 16503 1 683 . 1 1 119 119 HIS H H 1 8.264 0.005 . 1 . . . . 119 HIS H . 16503 1 684 . 1 1 119 119 HIS HA H 1 4.793 0.005 . 1 . . . . 119 HIS HA . 16503 1 685 . 1 1 119 119 HIS C C 13 173.6 0.1 . 1 . . . . 119 HIS C . 16503 1 686 . 1 1 119 119 HIS CA C 13 54.80 0.05 . 1 . . . . 119 HIS CA . 16503 1 687 . 1 1 119 119 HIS CB C 13 29.33 0.05 . 1 . . . . 119 HIS CB . 16503 1 688 . 1 1 119 119 HIS N N 15 120.8 0.08 . 1 . . . . 119 HIS N . 16503 1 689 . 1 1 120 120 PHE H H 1 8.227 0.005 . 1 . . . . 120 PHE H . 16503 1 690 . 1 1 120 120 PHE HA H 1 4.648 0.005 . 1 . . . . 120 PHE HA . 16503 1 691 . 1 1 120 120 PHE C C 13 175.1 0.1 . 1 . . . . 120 PHE C . 16503 1 692 . 1 1 120 120 PHE CA C 13 57.75 0.05 . 1 . . . . 120 PHE CA . 16503 1 693 . 1 1 120 120 PHE CB C 13 39.89 0.05 . 1 . . . . 120 PHE CB . 16503 1 694 . 1 1 120 120 PHE N N 15 121.8 0.08 . 1 . . . . 120 PHE N . 16503 1 695 . 1 1 121 121 ASP H H 1 8.332 0.005 . 1 . . . . 121 ASP H . 16503 1 696 . 1 1 121 121 ASP HA H 1 4.725 0.005 . 1 . . . . 121 ASP HA . 16503 1 697 . 1 1 121 121 ASP C C 13 174.2 0.1 . 1 . . . . 121 ASP C . 16503 1 698 . 1 1 121 121 ASP CA C 13 52.74 0.05 . 1 . . . . 121 ASP CA . 16503 1 699 . 1 1 121 121 ASP CB C 13 38.31 0.05 . 1 . . . . 121 ASP CB . 16503 1 700 . 1 1 121 121 ASP N N 15 120.8 0.08 . 1 . . . . 121 ASP N . 16503 1 701 . 1 1 122 122 ALA H H 1 8.078 0.005 . 1 . . . . 122 ALA H . 16503 1 702 . 1 1 122 122 ALA HA H 1 4.391 0.005 . 1 . . . . 122 ALA HA . 16503 1 703 . 1 1 122 122 ALA CA C 13 52.51 0.05 . 1 . . . . 122 ALA CA . 16503 1 704 . 1 1 122 122 ALA CB C 13 19.44 0.05 . 1 . . . . 122 ALA CB . 16503 1 705 . 1 1 122 122 ALA N N 15 124.2 0.08 . 1 . . . . 122 ALA N . 16503 1 706 . 1 1 123 123 SER H H 1 8.102 0.005 . 1 . . . . 123 SER H . 16503 1 707 . 1 1 123 123 SER HA H 1 4.569 0.005 . 1 . . . . 123 SER HA . 16503 1 708 . 1 1 123 123 SER C C 13 174.0 0.1 . 1 . . . . 123 SER C . 16503 1 709 . 1 1 123 123 SER CA C 13 58.29 0.05 . 1 . . . . 123 SER CA . 16503 1 710 . 1 1 123 123 SER CB C 13 63.96 0.05 . 1 . . . . 123 SER CB . 16503 1 711 . 1 1 123 123 SER N N 15 114.4 0.08 . 1 . . . . 123 SER N . 16503 1 712 . 1 1 124 124 VAL H H 1 7.847 0.005 . 1 . . . . 124 VAL H . 16503 1 713 . 1 1 124 124 VAL HA H 1 4.351 0.005 . 1 . . . . 124 VAL HA . 16503 1 714 . 1 1 124 124 VAL CA C 13 61.07 0.05 . 1 . . . . 124 VAL CA . 16503 1 715 . 1 1 124 124 VAL CB C 13 32.91 0.05 . 1 . . . . 124 VAL CB . 16503 1 716 . 1 1 124 124 VAL N N 15 119.4 0.08 . 1 . . . . 124 VAL N . 16503 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16503 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'standard deviation of values assigned in multiple spectra.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16503 2 2 '2D 1H-13C HSQC' . . . 16503 2 3 '2D 1H-1H TOCSY' . . . 16503 2 5 '3D CBCA(CO)NH' . . . 16503 2 7 '3D HNCA' . . . 16503 2 8 '3D HNCACB' . . . 16503 2 9 '3D HN(CO)CA' . . . 16503 2 10 '3D HN(COCA)CB' . . . 16503 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16503 2 2 $TOPSPIN . . 16503 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS CA C 13 55.83 0.05 . 1 . . . . 1 LYS CA . 16503 2 2 . 1 1 1 1 LYS CB C 13 33.46 0.05 . 1 . . . . 1 LYS CB . 16503 2 3 . 1 1 2 2 GLU H H 1 8.950 0.005 . 1 . . . . 2 GLU H . 16503 2 4 . 1 1 2 2 GLU CA C 13 55.87 0.05 . 1 . . . . 2 GLU CA . 16503 2 5 . 1 1 2 2 GLU CB C 13 29.25 0.05 . 1 . . . . 2 GLU CB . 16503 2 6 . 1 1 2 2 GLU N N 15 123.9 0.08 . 1 . . . . 2 GLU N . 16503 2 7 . 1 1 3 3 THR H H 1 8.469 0.005 . 1 . . . . 3 THR H . 16503 2 8 . 1 1 3 3 THR CA C 13 61.82 0.05 . 1 . . . . 3 THR CA . 16503 2 9 . 1 1 3 3 THR CB C 13 70.24 0.05 . 1 . . . . 3 THR CB . 16503 2 10 . 1 1 3 3 THR N N 15 117.0 0.08 . 1 . . . . 3 THR N . 16503 2 11 . 1 1 4 4 ALA H H 1 8.421 0.005 . 1 . . . . 4 ALA H . 16503 2 12 . 1 1 4 4 ALA CA C 13 52.48 0.05 . 1 . . . . 4 ALA CA . 16503 2 13 . 1 1 4 4 ALA CB C 13 19.50 0.05 . 1 . . . . 4 ALA CB . 16503 2 14 . 1 1 4 4 ALA N N 15 126.6 0.08 . 1 . . . . 4 ALA N . 16503 2 15 . 1 1 5 5 ALA H H 1 8.285 0.005 . 1 . . . . 5 ALA H . 16503 2 16 . 1 1 5 5 ALA CA C 13 52.47 0.05 . 1 . . . . 5 ALA CA . 16503 2 17 . 1 1 5 5 ALA CB C 13 19.40 0.05 . 1 . . . . 5 ALA CB . 16503 2 18 . 1 1 5 5 ALA N N 15 123.6 0.08 . 1 . . . . 5 ALA N . 16503 2 19 . 1 1 6 6 ALA H H 1 8.231 0.005 . 1 . . . . 6 ALA H . 16503 2 20 . 1 1 6 6 ALA CA C 13 52.54 0.05 . 1 . . . . 6 ALA CA . 16503 2 21 . 1 1 6 6 ALA CB C 13 19.36 0.05 . 1 . . . . 6 ALA CB . 16503 2 22 . 1 1 6 6 ALA N N 15 123.6 0.08 . 1 . . . . 6 ALA N . 16503 2 23 . 1 1 7 7 LYS H H 1 8.249 0.005 . 1 . . . . 7 LYS H . 16503 2 24 . 1 1 7 7 LYS CA C 13 56.61 0.05 . 1 . . . . 7 LYS CA . 16503 2 25 . 1 1 7 7 LYS CB C 13 33.39 0.05 . 1 . . . . 7 LYS CB . 16503 2 26 . 1 1 7 7 LYS N N 15 120.7 0.08 . 1 . . . . 7 LYS N . 16503 2 27 . 1 1 8 8 PHE H H 1 8.261 0.005 . 1 . . . . 8 PHE H . 16503 2 28 . 1 1 8 8 PHE CA C 13 57.64 0.05 . 1 . . . . 8 PHE CA . 16503 2 29 . 1 1 8 8 PHE CB C 13 39.80 0.05 . 1 . . . . 8 PHE CB . 16503 2 30 . 1 1 8 8 PHE N N 15 120.8 0.08 . 1 . . . . 8 PHE N . 16503 2 31 . 1 1 9 9 GLU H H 1 8.340 0.005 . 1 . . . . 9 GLU H . 16503 2 32 . 1 1 9 9 GLU CA C 13 55.54 0.05 . 1 . . . . 9 GLU CA . 16503 2 33 . 1 1 9 9 GLU CB C 13 29.38 0.05 . 1 . . . . 9 GLU CB . 16503 2 34 . 1 1 9 9 GLU N N 15 122.5 0.08 . 1 . . . . 9 GLU N . 16503 2 35 . 1 1 10 10 ARG H H 1 8.431 0.005 . 1 . . . . 10 ARG H . 16503 2 36 . 1 1 10 10 ARG CA C 13 56.41 0.05 . 1 . . . . 10 ARG CA . 16503 2 37 . 1 1 10 10 ARG CB C 13 30.96 0.05 . 1 . . . . 10 ARG CB . 16503 2 38 . 1 1 10 10 ARG N N 15 122.9 0.08 . 1 . . . . 10 ARG N . 16503 2 39 . 1 1 11 11 GLN H H 1 8.562 0.005 . 1 . . . . 11 GLN H . 16503 2 40 . 1 1 11 11 GLN CA C 13 56.06 0.05 . 1 . . . . 11 GLN CA . 16503 2 41 . 1 1 11 11 GLN CB C 13 29.85 0.05 . 1 . . . . 11 GLN CB . 16503 2 42 . 1 1 11 11 GLN N N 15 121.7 0.08 . 1 . . . . 11 GLN N . 16503 2 43 . 1 1 12 12 HIS H H 1 8.748 0.005 . 1 . . . . 12 HIS H . 16503 2 44 . 1 1 12 12 HIS CA C 13 55.46 0.05 . 1 . . . . 12 HIS CA . 16503 2 45 . 1 1 12 12 HIS CB C 13 29.06 0.05 . 1 . . . . 12 HIS CB . 16503 2 46 . 1 1 12 12 HIS N N 15 120.3 0.08 . 1 . . . . 12 HIS N . 16503 2 47 . 1 1 13 13 MET H H 1 8.606 0.005 . 1 . . . . 13 MET H . 16503 2 48 . 1 1 13 13 MET CA C 13 55.50 0.05 . 1 . . . . 13 MET CA . 16503 2 49 . 1 1 13 13 MET CB C 13 33.35 0.05 . 1 . . . . 13 MET CB . 16503 2 50 . 1 1 13 13 MET N N 15 122.7 0.08 . 1 . . . . 13 MET N . 16503 2 51 . 1 1 14 14 ASP H H 1 8.763 0.005 . 1 . . . . 14 ASP H . 16503 2 52 . 1 1 14 14 ASP CA C 13 53.04 0.05 . 1 . . . . 14 ASP CA . 16503 2 53 . 1 1 14 14 ASP CB C 13 38.42 0.05 . 1 . . . . 14 ASP CB . 16503 2 54 . 1 1 14 14 ASP N N 15 121.2 0.08 . 1 . . . . 14 ASP N . 16503 2 55 . 1 1 15 15 SER H H 1 8.436 0.005 . 1 . . . . 15 SER H . 16503 2 56 . 1 1 15 15 SER CA C 13 58.46 0.05 . 1 . . . . 15 SER CA . 16503 2 57 . 1 1 15 15 SER CB C 13 64.03 0.05 . 1 . . . . 15 SER CB . 16503 2 58 . 1 1 15 15 SER N N 15 116.6 0.08 . 1 . . . . 15 SER N . 16503 2 59 . 1 1 16 16 SER H H 1 8.370 0.005 . 1 . . . . 16 SER H . 16503 2 60 . 1 1 16 16 SER CA C 13 58.58 0.05 . 1 . . . . 16 SER CA . 16503 2 61 . 1 1 16 16 SER CB C 13 63.96 0.05 . 1 . . . . 16 SER CB . 16503 2 62 . 1 1 16 16 SER N N 15 117.5 0.08 . 1 . . . . 16 SER N . 16503 2 63 . 1 1 17 17 THR H H 1 8.259 0.005 . 1 . . . . 17 THR H . 16503 2 64 . 1 1 17 17 THR CA C 13 61.86 0.05 . 1 . . . . 17 THR CA . 16503 2 65 . 1 1 17 17 THR CB C 13 69.95 0.05 . 1 . . . . 17 THR CB . 16503 2 66 . 1 1 17 17 THR N N 15 115.3 0.08 . 1 . . . . 17 THR N . 16503 2 67 . 1 1 18 18 SER H H 1 8.328 0.005 . 1 . . . . 18 SER H . 16503 2 68 . 1 1 18 18 SER CA C 13 58.40 0.05 . 1 . . . . 18 SER CA . 16503 2 69 . 1 1 18 18 SER CB C 13 64.08 0.05 . 1 . . . . 18 SER CB . 16503 2 70 . 1 1 18 18 SER N N 15 117.9 0.08 . 1 . . . . 18 SER N . 16503 2 71 . 1 1 19 19 ALA H H 1 8.367 0.005 . 1 . . . . 19 ALA H . 16503 2 72 . 1 1 19 19 ALA CA C 13 52.68 0.05 . 1 . . . . 19 ALA CA . 16503 2 73 . 1 1 19 19 ALA CB C 13 19.34 0.05 . 1 . . . . 19 ALA CB . 16503 2 74 . 1 1 19 19 ALA N N 15 126.2 0.08 . 1 . . . . 19 ALA N . 16503 2 75 . 1 1 20 20 ALA H H 1 8.263 0.005 . 1 . . . . 20 ALA H . 16503 2 76 . 1 1 20 20 ALA CA C 13 52.01 0.05 . 1 . . . . 20 ALA CA . 16503 2 77 . 1 1 20 20 ALA CB C 13 19.06 0.05 . 1 . . . . 20 ALA CB . 16503 2 78 . 1 1 20 20 ALA N N 15 123.1 0.08 . 1 . . . . 20 ALA N . 16503 2 79 . 1 1 21 21 SER H H 1 8.800 0.05 . 1 . . . . 21 SER H . 16503 2 80 . 1 1 21 21 SER CA C 13 58.44 0.05 . 1 . . . . 21 SER CA . 16503 2 81 . 1 1 21 21 SER CB C 13 63.98 0.05 . 1 . . . . 21 SER CB . 16503 2 82 . 1 1 21 21 SER N N 15 117.8 0.08 . 1 . . . . 21 SER N . 16503 2 83 . 1 1 22 22 SER H H 1 8.477 0.005 . 1 . . . . 22 SER H . 16503 2 84 . 1 1 22 22 SER CA C 13 58.54 0.05 . 1 . . . . 22 SER CA . 16503 2 85 . 1 1 22 22 SER N N 15 117.8 0.08 . 1 . . . . 22 SER N . 16503 2 86 . 1 1 23 23 SER CA C 13 58.59 0.05 . 1 . . . . 23 SER CA . 16503 2 87 . 1 1 23 23 SER CB C 13 63.94 0.05 . 1 . . . . 23 SER CB . 16503 2 88 . 1 1 24 24 ASN H H 1 8.501 0.005 . 1 . . . . 24 ASN H . 16503 2 89 . 1 1 24 24 ASN CA C 13 53.34 0.05 . 1 . . . . 24 ASN CA . 16503 2 90 . 1 1 24 24 ASN CB C 13 38.98 0.05 . 1 . . . . 24 ASN CB . 16503 2 91 . 1 1 24 24 ASN N N 15 120.8 0.08 . 1 . . . . 24 ASN N . 16503 2 92 . 1 1 25 25 TYR H H 1 8.226 0.005 . 1 . . . . 25 TYR H . 16503 2 93 . 1 1 25 25 TYR CA C 13 59.00 0.05 . 1 . . . . 25 TYR CA . 16503 2 94 . 1 1 25 25 TYR CB C 13 38.54 0.05 . 1 . . . . 25 TYR CB . 16503 2 95 . 1 1 25 25 TYR N N 15 121.0 0.08 . 1 . . . . 25 TYR N . 16503 2 96 . 1 1 26 26 CYS H H 1 8.465 0.005 . 1 . . . . 26 CYS H . 16503 2 97 . 1 1 26 26 CYS CA C 13 55.60 0.05 . 1 . . . . 26 CYS CA . 16503 2 98 . 1 1 26 26 CYS CB C 13 40.28 0.05 . 1 . . . . 26 CYS CB . 16503 2 99 . 1 1 26 26 CYS N N 15 118.9 0.08 . 1 . . . . 26 CYS N . 16503 2 100 . 1 1 27 27 ASN H H 1 8.583 0.005 . 1 . . . . 27 ASN H . 16503 2 101 . 1 1 27 27 ASN CA C 13 53.83 0.05 . 1 . . . . 27 ASN CA . 16503 2 102 . 1 1 27 27 ASN CB C 13 38.88 0.05 . 1 . . . . 27 ASN CB . 16503 2 103 . 1 1 27 27 ASN N N 15 120.3 0.08 . 1 . . . . 27 ASN N . 16503 2 104 . 1 1 28 28 GLN H H 1 8.326 0.005 . 1 . . . . 28 GLN H . 16503 2 105 . 1 1 28 28 GLN CA C 13 56.47 0.05 . 1 . . . . 28 GLN CA . 16503 2 106 . 1 1 28 28 GLN CB C 13 29.53 0.05 . 1 . . . . 28 GLN CB . 16503 2 107 . 1 1 28 28 GLN N N 15 120.5 0.08 . 1 . . . . 28 GLN N . 16503 2 108 . 1 1 29 29 MET H H 1 8.342 0.005 . 1 . . . . 29 MET H . 16503 2 109 . 1 1 29 29 MET CA C 13 56.03 0.05 . 1 . . . . 29 MET CA . 16503 2 110 . 1 1 29 29 MET CB C 13 32.99 0.05 . 1 . . . . 29 MET CB . 16503 2 111 . 1 1 29 29 MET N N 15 120.7 0.08 . 1 . . . . 29 MET N . 16503 2 112 . 1 1 30 30 MET H H 1 8.362 0.005 . 1 . . . . 30 MET H . 16503 2 113 . 1 1 30 30 MET CA C 13 55.86 0.05 . 1 . . . . 30 MET CA . 16503 2 114 . 1 1 30 30 MET CB C 13 33.09 0.05 . 1 . . . . 30 MET CB . 16503 2 115 . 1 1 30 30 MET N N 15 121.3 0.08 . 1 . . . . 30 MET N . 16503 2 116 . 1 1 31 31 LYS H H 1 8.409 0.005 . 1 . . . . 31 LYS H . 16503 2 117 . 1 1 31 31 LYS CA C 13 56.65 0.05 . 1 . . . . 31 LYS CA . 16503 2 118 . 1 1 31 31 LYS CB C 13 33.30 0.05 . 1 . . . . 31 LYS CB . 16503 2 119 . 1 1 31 31 LYS N N 15 122.6 0.08 . 1 . . . . 31 LYS N . 16503 2 120 . 1 1 32 32 SER H H 1 8.346 0.005 . 1 . . . . 32 SER H . 16503 2 121 . 1 1 32 32 SER CA C 13 58.42 0.05 . 1 . . . . 32 SER CA . 16503 2 122 . 1 1 32 32 SER CB C 13 64.06 0.05 . 1 . . . . 32 SER CB . 16503 2 123 . 1 1 32 32 SER N N 15 116.7 0.08 . 1 . . . . 32 SER N . 16503 2 124 . 1 1 33 33 ARG H H 1 8.497 0.005 . 1 . . . . 33 ARG H . 16503 2 125 . 1 1 33 33 ARG CA C 13 56.40 0.05 . 1 . . . . 33 ARG CA . 16503 2 126 . 1 1 33 33 ARG CB C 13 31.08 0.05 . 1 . . . . 33 ARG CB . 16503 2 127 . 1 1 33 33 ARG N N 15 122.9 0.08 . 1 . . . . 33 ARG N . 16503 2 128 . 1 1 34 34 ASN H H 1 8.493 0.005 . 1 . . . . 34 ASN H . 16503 2 129 . 1 1 34 34 ASN CA C 13 53.27 0.05 . 1 . . . . 34 ASN CA . 16503 2 130 . 1 1 34 34 ASN CB C 13 38.96 0.05 . 1 . . . . 34 ASN CB . 16503 2 131 . 1 1 34 34 ASN N N 15 119.4 0.08 . 1 . . . . 34 ASN N . 16503 2 132 . 1 1 35 35 LEU H H 1 8.331 0.005 . 1 . . . . 35 LEU H . 16503 2 133 . 1 1 35 35 LEU CA C 13 55.38 0.05 . 1 . . . . 35 LEU CA . 16503 2 134 . 1 1 35 35 LEU CB C 13 42.45 0.05 . 1 . . . . 35 LEU CB . 16503 2 135 . 1 1 35 35 LEU N N 15 123.0 0.08 . 1 . . . . 35 LEU N . 16503 2 136 . 1 1 36 36 THR H H 1 8.206 0.005 . 1 . . . . 36 THR H . 16503 2 137 . 1 1 36 36 THR CA C 13 62.29 0.05 . 1 . . . . 36 THR CA . 16503 2 138 . 1 1 36 36 THR CB C 13 69.92 0.05 . 1 . . . . 36 THR CB . 16503 2 139 . 1 1 36 36 THR N N 15 114.9 0.08 . 1 . . . . 36 THR N . 16503 2 140 . 1 1 37 37 LYS H H 1 8.342 0.005 . 1 . . . . 37 LYS H . 16503 2 141 . 1 1 37 37 LYS CA C 13 56.52 0.05 . 1 . . . . 37 LYS CA . 16503 2 142 . 1 1 37 37 LYS CB C 13 33.28 0.05 . 1 . . . . 37 LYS CB . 16503 2 143 . 1 1 37 37 LYS N N 15 123.4 0.08 . 1 . . . . 37 LYS N . 16503 2 144 . 1 1 38 38 ASP H H 1 8.489 0.005 . 1 . . . . 38 ASP H . 16503 2 145 . 1 1 38 38 ASP CA C 13 53.01 0.05 . 1 . . . . 38 ASP CA . 16503 2 146 . 1 1 38 38 ASP CB C 13 38.46 0.05 . 1 . . . . 38 ASP CB . 16503 2 147 . 1 1 38 38 ASP N N 15 120.0 0.08 . 1 . . . . 38 ASP N . 16503 2 148 . 1 1 39 39 ARG H H 1 8.443 0.005 . 1 . . . . 39 ARG H . 16503 2 149 . 1 1 39 39 ARG CA C 13 56.28 0.05 . 1 . . . . 39 ARG CA . 16503 2 150 . 1 1 39 39 ARG CB C 13 31.20 0.05 . 1 . . . . 39 ARG CB . 16503 2 151 . 1 1 39 39 ARG N N 15 121.9 0.08 . 1 . . . . 39 ARG N . 16503 2 152 . 1 1 40 40 CYS H H 1 8.447 0.005 . 1 . . . . 40 CYS H . 16503 2 153 . 1 1 40 40 CYS CA C 13 54.95 0.05 . 1 . . . . 40 CYS CA . 16503 2 154 . 1 1 40 40 CYS CB C 13 40.92 0.05 . 1 . . . . 40 CYS CB . 16503 2 155 . 1 1 40 40 CYS N N 15 119.5 0.08 . 1 . . . . 40 CYS N . 16503 2 156 . 1 1 41 41 LYS H H 1 8.763 0.005 . 1 . . . . 41 LYS H . 16503 2 157 . 1 1 41 41 LYS CA C 13 54.61 0.05 . 1 . . . . 41 LYS CA . 16503 2 158 . 1 1 41 41 LYS CB C 13 32.96 0.05 . 1 . . . . 41 LYS CB . 16503 2 159 . 1 1 41 41 LYS N N 15 124.8 0.08 . 1 . . . . 41 LYS N . 16503 2 160 . 1 1 42 42 PRO CA C 13 63.14 0.05 . 1 . . . . 42 PRO CA . 16503 2 161 . 1 1 42 42 PRO CB C 13 32.22 0.05 . 1 . . . . 42 PRO CB . 16503 2 162 . 1 1 43 43 VAL H H 1 8.302 0.005 . 1 . . . . 43 VAL H . 16503 2 163 . 1 1 43 43 VAL CA C 13 62.17 0.05 . 1 . . . . 43 VAL CA . 16503 2 164 . 1 1 43 43 VAL CB C 13 33.22 0.05 . 1 . . . . 43 VAL CB . 16503 2 165 . 1 1 43 43 VAL N N 15 120.3 0.08 . 1 . . . . 43 VAL N . 16503 2 166 . 1 1 44 44 ASN H H 1 8.697 0.005 . 1 . . . . 44 ASN H . 16503 2 167 . 1 1 44 44 ASN CA C 13 53.10 0.05 . 1 . . . . 44 ASN CA . 16503 2 168 . 1 1 44 44 ASN CB C 13 39.17 0.05 . 1 . . . . 44 ASN CB . 16503 2 169 . 1 1 44 44 ASN N N 15 122.3 0.08 . 1 . . . . 44 ASN N . 16503 2 170 . 1 1 45 45 THR H H 1 8.119 0.005 . 1 . . . . 45 THR H . 16503 2 171 . 1 1 45 45 THR CA C 13 61.97 0.05 . 1 . . . . 45 THR CA . 16503 2 172 . 1 1 45 45 THR CB C 13 69.77 0.05 . 1 . . . . 45 THR CB . 16503 2 173 . 1 1 45 45 THR N N 15 114.5 0.08 . 1 . . . . 45 THR N . 16503 2 174 . 1 1 46 46 PHE H H 1 8.262 0.005 . 1 . . . . 46 PHE H . 16503 2 175 . 1 1 46 46 PHE CA C 13 57.70 0.05 . 1 . . . . 46 PHE CA . 16503 2 176 . 1 1 46 46 PHE CB C 13 39.58 0.05 . 1 . . . . 46 PHE CB . 16503 2 177 . 1 1 46 46 PHE N N 15 122.1 0.08 . 1 . . . . 46 PHE N . 16503 2 178 . 1 1 47 47 VAL H H 1 8.046 0.005 . 1 . . . . 47 VAL H . 16503 2 179 . 1 1 47 47 VAL CA C 13 62.36 0.05 . 1 . . . . 47 VAL CA . 16503 2 180 . 1 1 47 47 VAL CB C 13 33.02 0.05 . 1 . . . . 47 VAL CB . 16503 2 181 . 1 1 47 47 VAL N N 15 121.4 0.08 . 1 . . . . 47 VAL N . 16503 2 182 . 1 1 48 48 HIS H H 1 8.676 0.005 . 1 . . . . 48 HIS H . 16503 2 183 . 1 1 48 48 HIS CA C 13 55.28 0.05 . 1 . . . . 48 HIS CA . 16503 2 184 . 1 1 48 48 HIS CB C 13 28.92 0.05 . 1 . . . . 48 HIS CB . 16503 2 185 . 1 1 48 48 HIS N N 15 122.6 0.08 . 1 . . . . 48 HIS N . 16503 2 186 . 1 1 49 49 GLU H H 1 8.569 0.005 . 1 . . . . 49 GLU H . 16503 2 187 . 1 1 49 49 GLU CA C 13 55.63 0.05 . 1 . . . . 49 GLU CA . 16503 2 188 . 1 1 49 49 GLU CB C 13 29.44 0.05 . 1 . . . . 49 GLU CB . 16503 2 189 . 1 1 49 49 GLU N N 15 122.5 0.08 . 1 . . . . 49 GLU N . 16503 2 190 . 1 1 50 50 SER H H 1 8.469 0.005 . 1 . . . . 50 SER H . 16503 2 191 . 1 1 50 50 SER CA C 13 58.21 0.05 . 1 . . . . 50 SER CA . 16503 2 192 . 1 1 50 50 SER CB C 13 63.95 0.05 . 1 . . . . 50 SER CB . 16503 2 193 . 1 1 50 50 SER N N 15 117.9 0.08 . 1 . . . . 50 SER N . 16503 2 194 . 1 1 51 51 LEU H H 1 8.439 0.005 . 1 . . . . 51 LEU H . 16503 2 195 . 1 1 51 51 LEU CA C 13 55.39 0.05 . 1 . . . . 51 LEU CA . 16503 2 196 . 1 1 51 51 LEU CB C 13 42.36 0.05 . 1 . . . . 51 LEU CB . 16503 2 197 . 1 1 51 51 LEU N N 15 124.7 0.08 . 1 . . . . 51 LEU N . 16503 2 198 . 1 1 52 52 ALA H H 1 8.304 0.005 . 1 . . . . 52 ALA H . 16503 2 199 . 1 1 52 52 ALA CA C 13 52.79 0.05 . 1 . . . . 52 ALA CA . 16503 2 200 . 1 1 52 52 ALA CB C 13 19.33 0.05 . 1 . . . . 52 ALA CB . 16503 2 201 . 1 1 52 52 ALA N N 15 123.5 0.08 . 1 . . . . 52 ALA N . 16503 2 202 . 1 1 53 53 ASP H H 1 8.343 0.005 . 1 . . . . 53 ASP H . 16503 2 203 . 1 1 53 53 ASP CA C 13 53.08 0.05 . 1 . . . . 53 ASP CA . 16503 2 204 . 1 1 53 53 ASP CB C 13 38.12 0.05 . 1 . . . . 53 ASP CB . 16503 2 205 . 1 1 53 53 ASP N N 15 117.8 0.08 . 1 . . . . 53 ASP N . 16503 2 206 . 1 1 54 54 VAL H H 1 8.085 0.005 . 1 . . . . 54 VAL H . 16503 2 207 . 1 1 54 54 VAL CA C 13 62.70 0.05 . 1 . . . . 54 VAL CA . 16503 2 208 . 1 1 54 54 VAL CB C 13 32.88 0.05 . 1 . . . . 54 VAL CB . 16503 2 209 . 1 1 54 54 VAL N N 15 120.1 0.08 . 1 . . . . 54 VAL N . 16503 2 210 . 1 1 55 55 GLN H H 1 8.417 0.005 . 1 . . . . 55 GLN H . 16503 2 211 . 1 1 55 55 GLN CA C 13 56.12 0.05 . 1 . . . . 55 GLN CA . 16503 2 212 . 1 1 55 55 GLN CB C 13 29.63 0.05 . 1 . . . . 55 GLN CB . 16503 2 213 . 1 1 55 55 GLN N N 15 123.1 0.08 . 1 . . . . 55 GLN N . 16503 2 214 . 1 1 56 56 ALA H H 1 8.275 0.005 . 1 . . . . 56 ALA H . 16503 2 215 . 1 1 56 56 ALA CA C 13 52.63 0.05 . 1 . . . . 56 ALA CA . 16503 2 216 . 1 1 56 56 ALA CB C 13 19.58 0.05 . 1 . . . . 56 ALA CB . 16503 2 217 . 1 1 56 56 ALA N N 15 125.3 0.08 . 1 . . . . 56 ALA N . 16503 2 218 . 1 1 57 57 VAL H H 1 8.163 0.005 . 1 . . . . 57 VAL H . 16503 2 219 . 1 1 57 57 VAL CA C 13 62.52 0.05 . 1 . . . . 57 VAL CA . 16503 2 220 . 1 1 57 57 VAL CB C 13 33.12 0.05 . 1 . . . . 57 VAL CB . 16503 2 221 . 1 1 57 57 VAL N N 15 118.9 0.08 . 1 . . . . 57 VAL N . 16503 2 222 . 1 1 58 58 CYS H H 1 8.512 0.005 . 1 . . . . 58 CYS H . 16503 2 223 . 1 1 58 58 CYS CA C 13 55.31 0.05 . 1 . . . . 58 CYS CA . 16503 2 224 . 1 1 58 58 CYS CB C 13 40.84 0.05 . 1 . . . . 58 CYS CB . 16503 2 225 . 1 1 58 58 CYS N N 15 121.4 0.08 . 1 . . . . 58 CYS N . 16503 2 226 . 1 1 59 59 SER CA C 13 58.61 0.05 . 1 . . . . 59 SER CA . 16503 2 227 . 1 1 60 60 GLN H H 1 8.515 0.005 . 1 . . . . 60 GLN H . 16503 2 228 . 1 1 60 60 GLN CA C 13 55.84 0.05 . 1 . . . . 60 GLN CA . 16503 2 229 . 1 1 60 60 GLN CB C 13 29.80 0.05 . 1 . . . . 60 GLN CB . 16503 2 230 . 1 1 60 60 GLN N N 15 123.0 0.08 . 1 . . . . 60 GLN N . 16503 2 231 . 1 1 61 61 LYS H H 1 8.413 0.005 . 1 . . . . 61 LYS H . 16503 2 232 . 1 1 61 61 LYS CA C 13 56.45 0.05 . 1 . . . . 61 LYS CA . 16503 2 233 . 1 1 61 61 LYS CB C 13 33.53 0.05 . 1 . . . . 61 LYS CB . 16503 2 234 . 1 1 61 61 LYS N N 15 122.1 0.08 . 1 . . . . 61 LYS N . 16503 2 235 . 1 1 62 62 ASN H H 1 8.431 0.005 . 1 . . . . 62 ASN H . 16503 2 236 . 1 1 62 62 ASN CA C 13 53.25 0.05 . 1 . . . . 62 ASN CA . 16503 2 237 . 1 1 62 62 ASN CB C 13 39.10 0.05 . 1 . . . . 62 ASN CB . 16503 2 238 . 1 1 62 62 ASN N N 15 120.5 0.08 . 1 . . . . 62 ASN N . 16503 2 239 . 1 1 63 63 VAL H H 1 8.059 0.005 . 1 . . . . 63 VAL H . 16503 2 240 . 1 1 63 63 VAL CA C 13 62.06 0.05 . 1 . . . . 63 VAL CA . 16503 2 241 . 1 1 63 63 VAL CB C 13 33.05 0.05 . 1 . . . . 63 VAL CB . 16503 2 242 . 1 1 63 63 VAL N N 15 120.4 0.08 . 1 . . . . 63 VAL N . 16503 2 243 . 1 1 64 64 ALA H H 1 8.391 0.005 . 1 . . . . 64 ALA H . 16503 2 244 . 1 1 64 64 ALA CA C 13 52.44 0.05 . 1 . . . . 64 ALA CA . 16503 2 245 . 1 1 64 64 ALA CB C 13 19.63 0.05 . 1 . . . . 64 ALA CB . 16503 2 246 . 1 1 64 64 ALA N N 15 127.1 0.08 . 1 . . . . 64 ALA N . 16503 2 247 . 1 1 65 65 CYS H H 1 8.384 0.005 . 1 . . . . 65 CYS H . 16503 2 248 . 1 1 65 65 CYS CA C 13 55.03 0.05 . 1 . . . . 65 CYS CA . 16503 2 249 . 1 1 65 65 CYS CB C 13 40.87 0.05 . 1 . . . . 65 CYS CB . 16503 2 250 . 1 1 66 66 LYS H H 1 8.84 0.005 . 1 . . . . 66 LYS H . 16503 2 251 . 1 1 66 66 LYS CA C 13 56.68 0.05 . 1 . . . . 66 LYS CA . 16503 2 252 . 1 1 66 66 LYS CB C 13 33.52 0.05 . 1 . . . . 66 LYS CB . 16503 2 253 . 1 1 66 66 LYS N N 15 124.1 0.08 . 1 . . . . 66 LYS N . 16503 2 254 . 1 1 67 67 ASN H H 1 8.597 0.005 . 1 . . . . 67 ASN H . 16503 2 255 . 1 1 67 67 ASN CA C 13 54.28 0.05 . 1 . . . . 67 ASN CA . 16503 2 256 . 1 1 67 67 ASN CB C 13 38.36 0.05 . 1 . . . . 67 ASN CB . 16503 2 257 . 1 1 67 67 ASN N N 15 118.8 0.08 . 1 . . . . 67 ASN N . 16503 2 258 . 1 1 68 68 GLY H H 1 8.546 0.005 . 1 . . . . 68 GLY H . 16503 2 259 . 1 1 68 68 GLY CA C 13 45.66 0.05 . 1 . . . . 68 GLY CA . 16503 2 260 . 1 1 68 68 GLY N N 15 110.2 0.08 . 1 . . . . 68 GLY N . 16503 2 261 . 1 1 69 69 GLN H H 1 7.951 0.005 . 1 . . . . 69 GLN H . 16503 2 262 . 1 1 69 69 GLN CA C 13 56.15 0.05 . 1 . . . . 69 GLN CA . 16503 2 263 . 1 1 69 69 GLN CB C 13 29.66 0.05 . 1 . . . . 69 GLN CB . 16503 2 264 . 1 1 69 69 GLN N N 15 119.8 0.08 . 1 . . . . 69 GLN N . 16503 2 265 . 1 1 70 70 THR H H 1 8.355 0.005 . 1 . . . . 70 THR H . 16503 2 266 . 1 1 70 70 THR CA C 13 62.69 0.05 . 1 . . . . 70 THR CA . 16503 2 267 . 1 1 70 70 THR CB C 13 69.71 0.05 . 1 . . . . 70 THR CB . 16503 2 268 . 1 1 70 70 THR N N 15 114.0 0.08 . 1 . . . . 70 THR N . 16503 2 269 . 1 1 71 71 ASN H H 1 8.436 0.005 . 1 . . . . 71 ASN H . 16503 2 270 . 1 1 71 71 ASN CA C 13 53.32 0.05 . 1 . . . . 71 ASN CA . 16503 2 271 . 1 1 71 71 ASN CB C 13 38.33 0.05 . 1 . . . . 71 ASN CB . 16503 2 272 . 1 1 71 71 ASN N N 15 119.0 0.08 . 1 . . . . 71 ASN N . 16503 2 273 . 1 1 72 72 CYS H H 1 8.148 0.005 . 1 . . . . 72 CYS H . 16503 2 274 . 1 1 72 72 CYS CA C 13 56.49 0.05 . 1 . . . . 72 CYS CA . 16503 2 275 . 1 1 72 72 CYS CB C 13 41.41 0.05 . 1 . . . . 72 CYS CB . 16503 2 276 . 1 1 72 72 CYS N N 15 117.8 0.08 . 1 . . . . 72 CYS N . 16503 2 277 . 1 1 73 73 TYR H H 1 8.345 0.005 . 1 . . . . 73 TYR H . 16503 2 278 . 1 1 73 73 TYR CA C 13 57.94 0.05 . 1 . . . . 73 TYR CA . 16503 2 279 . 1 1 73 73 TYR CB C 13 39.00 0.05 . 1 . . . . 73 TYR CB . 16503 2 280 . 1 1 73 73 TYR N N 15 122.0 0.08 . 1 . . . . 73 TYR N . 16503 2 281 . 1 1 74 74 GLN H H 1 8.351 0.005 . 1 . . . . 74 GLN H . 16503 2 282 . 1 1 74 74 GLN CA C 13 55.70 0.05 . 1 . . . . 74 GLN CA . 16503 2 283 . 1 1 74 74 GLN CB C 13 29.98 0.05 . 1 . . . . 74 GLN CB . 16503 2 284 . 1 1 74 74 GLN N N 15 122.2 0.08 . 1 . . . . 74 GLN N . 16503 2 285 . 1 1 75 75 SER H H 1 8.338 0.005 . 1 . . . . 75 SER H . 16503 2 286 . 1 1 75 75 SER CA C 13 58.25 0.05 . 1 . . . . 75 SER CA . 16503 2 287 . 1 1 75 75 SER CB C 13 64.00 0.05 . 1 . . . . 75 SER CB . 16503 2 288 . 1 1 75 75 SER N N 15 117.4 0.08 . 1 . . . . 75 SER N . 16503 2 289 . 1 1 76 76 TYR H H 1 8.287 0.005 . 1 . . . . 76 TYR H . 16503 2 290 . 1 1 76 76 TYR CA C 13 57.97 0.05 . 1 . . . . 76 TYR CA . 16503 2 291 . 1 1 76 76 TYR CB C 13 39.23 0.05 . 1 . . . . 76 TYR CB . 16503 2 292 . 1 1 76 76 TYR N N 15 122.1 0.08 . 1 . . . . 76 TYR N . 16503 2 293 . 1 1 77 77 SER H H 1 8.373 0.005 . 1 . . . . 77 SER H . 16503 2 294 . 1 1 77 77 SER CA C 13 58.16 0.05 . 1 . . . . 77 SER CA . 16503 2 295 . 1 1 77 77 SER CB C 13 64.28 0.05 . 1 . . . . 77 SER CB . 16503 2 296 . 1 1 77 77 SER N N 15 117.1 0.08 . 1 . . . . 77 SER N . 16503 2 297 . 1 1 78 78 THR H H 1 8.309 0.005 . 1 . . . . 78 THR H . 16503 2 298 . 1 1 78 78 THR CA C 13 61.97 0.05 . 1 . . . . 78 THR CA . 16503 2 299 . 1 1 78 78 THR CB C 13 69.84 0.05 . 1 . . . . 78 THR CB . 16503 2 300 . 1 1 78 78 THR N N 15 115.8 0.08 . 1 . . . . 78 THR N . 16503 2 301 . 1 1 79 79 MET H H 1 8.339 0.005 . 1 . . . . 79 MET H . 16503 2 302 . 1 1 79 79 MET CA C 13 55.73 0.05 . 1 . . . . 79 MET CA . 16503 2 303 . 1 1 79 79 MET CB C 13 33.47 0.05 . 1 . . . . 79 MET CB . 16503 2 304 . 1 1 79 79 MET N N 15 122.3 0.08 . 1 . . . . 79 MET N . 16503 2 305 . 1 1 80 80 SER H H 1 8.397 0.005 . 1 . . . . 80 SER H . 16503 2 306 . 1 1 80 80 SER CA C 13 58.37 0.05 . 1 . . . . 80 SER CA . 16503 2 307 . 1 1 80 80 SER CB C 13 63.97 0.05 . 1 . . . . 80 SER CB . 16503 2 308 . 1 1 80 80 SER N N 15 117.5 0.08 . 1 . . . . 80 SER N . 16503 2 309 . 1 1 81 81 ILE CA C 13 61.50 0.05 . 1 . . . . 81 ILE CA . 16503 2 310 . 1 1 81 81 ILE CB C 13 39.01 0.05 . 1 . . . . 81 ILE CB . 16503 2 311 . 1 1 82 82 THR H H 1 8.212 0.005 . 1 . . . . 82 THR H . 16503 2 312 . 1 1 82 82 THR CA C 13 61.87 0.05 . 1 . . . . 82 THR CA . 16503 2 313 . 1 1 82 82 THR CB C 13 69.92 0.05 . 1 . . . . 82 THR CB . 16503 2 314 . 1 1 82 82 THR N N 15 117.1 0.08 . 1 . . . . 82 THR N . 16503 2 315 . 1 1 83 83 ASP H H 1 8.450 0.005 . 1 . . . . 83 ASP H . 16503 2 316 . 1 1 83 83 ASP CA C 13 53.04 0.05 . 1 . . . . 83 ASP CA . 16503 2 317 . 1 1 83 83 ASP CB C 13 38.41 0.05 . 1 . . . . 83 ASP CB . 16503 2 318 . 1 1 83 83 ASP N N 15 121.3 0.08 . 1 . . . . 83 ASP N . 16503 2 319 . 1 1 84 84 CYS H H 1 8.473 0.005 . 1 . . . . 84 CYS H . 16503 2 320 . 1 1 84 84 CYS CA C 13 55.26 0.05 . 1 . . . . 84 CYS CA . 16503 2 321 . 1 1 84 84 CYS CB C 13 40.49 0.05 . 1 . . . . 84 CYS CB . 16503 2 322 . 1 1 84 84 CYS N N 15 119.3 0.08 . 1 . . . . 84 CYS N . 16503 2 323 . 1 1 85 85 ARG CA C 13 55.79 0.05 . 1 . . . . 85 ARG CA . 16503 2 324 . 1 1 85 85 ARG CB C 13 29.17 0.05 . 1 . . . . 85 ARG CB . 16503 2 325 . 1 1 86 86 GLU CA C 13 55.79 0.05 . 1 . . . . 86 GLU CA . 16503 2 326 . 1 1 86 86 GLU CB C 13 29.17 0.05 . 1 . . . . 86 GLU CB . 16503 2 327 . 1 1 87 87 THR H H 1 8.309 0.005 . 1 . . . . 87 THR H . 16503 2 328 . 1 1 87 87 THR CA C 13 61.92 0.05 . 1 . . . . 87 THR CA . 16503 2 329 . 1 1 87 87 THR CB C 13 70.15 0.05 . 1 . . . . 87 THR CB . 16503 2 330 . 1 1 87 87 THR N N 15 114.9 0.08 . 1 . . . . 87 THR N . 16503 2 331 . 1 1 88 88 GLY H H 1 8.433 0.005 . 1 . . . . 88 GLY H . 16503 2 332 . 1 1 88 88 GLY CA C 13 45.40 0.05 . 1 . . . . 88 GLY CA . 16503 2 333 . 1 1 88 88 GLY N N 15 110.8 0.08 . 1 . . . . 88 GLY N . 16503 2 334 . 1 1 89 89 SER H H 1 8.280 0.005 . 1 . . . . 89 SER H . 16503 2 335 . 1 1 89 89 SER CA C 13 58.33 0.05 . 1 . . . . 89 SER CA . 16503 2 336 . 1 1 89 89 SER CB C 13 64.13 0.05 . 1 . . . . 89 SER CB . 16503 2 337 . 1 1 89 89 SER N N 15 115.3 0.08 . 1 . . . . 89 SER N . 16503 2 338 . 1 1 90 90 SER H H 1 8.454 0.005 . 1 . . . . 90 SER H . 16503 2 339 . 1 1 90 90 SER CA C 13 58.46 0.05 . 1 . . . . 90 SER CA . 16503 2 340 . 1 1 90 90 SER CB C 13 63.86 0.05 . 1 . . . . 90 SER CB . 16503 2 341 . 1 1 90 90 SER N N 15 118.0 0.08 . 1 . . . . 90 SER N . 16503 2 342 . 1 1 91 91 LYS H H 1 8.303 0.005 . 1 . . . . 91 LYS H . 16503 2 343 . 1 1 91 91 LYS CA C 13 56.90 0.05 . 1 . . . . 91 LYS CA . 16503 2 344 . 1 1 91 91 LYS CB C 13 33.37 0.05 . 1 . . . . 91 LYS CB . 16503 2 345 . 1 1 91 91 LYS N N 15 123.1 0.08 . 1 . . . . 91 LYS N . 16503 2 346 . 1 1 92 92 TYR H H 1 8.156 0.005 . 1 . . . . 92 TYR H . 16503 2 347 . 1 1 92 92 TYR CA C 13 55.42 0.05 . 1 . . . . 92 TYR CA . 16503 2 348 . 1 1 92 92 TYR CB C 13 38.58 0.05 . 1 . . . . 92 TYR CB . 16503 2 349 . 1 1 92 92 TYR N N 15 120.6 0.08 . 1 . . . . 92 TYR N . 16503 2 350 . 1 1 93 93 PRO CA C 13 63.17 0.05 . 1 . . . . 93 PRO CA . 16503 2 351 . 1 1 93 93 PRO CB C 13 32.31 0.05 . 1 . . . . 93 PRO CB . 16503 2 352 . 1 1 94 94 ASN H H 1 8.553 0.005 . 1 . . . . 94 ASN H . 16503 2 353 . 1 1 94 94 ASN CA C 13 53.30 0.05 . 1 . . . . 94 ASN CA . 16503 2 354 . 1 1 94 94 ASN CB C 13 38.97 0.05 . 1 . . . . 94 ASN CB . 16503 2 355 . 1 1 94 94 ASN N N 15 119.1 0.08 . 1 . . . . 94 ASN N . 16503 2 356 . 1 1 95 95 CYS CA C 13 55.16 0.05 . 1 . . . . 95 CYS CA . 16503 2 357 . 1 1 96 96 ALA H H 1 8.423 0.005 . 1 . . . . 96 ALA H . 16503 2 358 . 1 1 96 96 ALA CA C 13 52.56 0.05 . 1 . . . . 96 ALA CA . 16503 2 359 . 1 1 96 96 ALA CB C 13 19.49 0.05 . 1 . . . . 96 ALA CB . 16503 2 360 . 1 1 96 96 ALA N N 15 125.2 0.08 . 1 . . . . 96 ALA N . 16503 2 361 . 1 1 97 97 TYR H H 1 8.143 0.005 . 1 . . . . 97 TYR H . 16503 2 362 . 1 1 97 97 TYR CA C 13 57.66 0.05 . 1 . . . . 97 TYR CA . 16503 2 363 . 1 1 97 97 TYR CB C 13 39.26 0.05 . 1 . . . . 97 TYR CB . 16503 2 364 . 1 1 97 97 TYR N N 15 120.1 0.08 . 1 . . . . 97 TYR N . 16503 2 365 . 1 1 98 98 LYS H H 1 8.409 0.005 . 1 . . . . 98 LYS H . 16503 2 366 . 1 1 98 98 LYS CA C 13 56.25 0.05 . 1 . . . . 98 LYS CA . 16503 2 367 . 1 1 98 98 LYS CB C 13 33.63 0.05 . 1 . . . . 98 LYS CB . 16503 2 368 . 1 1 98 98 LYS N N 15 123.5 0.08 . 1 . . . . 98 LYS N . 16503 2 369 . 1 1 99 99 THR H H 1 8.315 0.005 . 1 . . . . 99 THR H . 16503 2 370 . 1 1 99 99 THR CA C 13 61.71 0.05 . 1 . . . . 99 THR CA . 16503 2 371 . 1 1 99 99 THR N N 15 115.5 0.08 . 1 . . . . 99 THR N . 16503 2 372 . 1 1 100 100 THR H H 1 8.277 0.005 . 1 . . . . 100 THR H . 16503 2 373 . 1 1 100 100 THR CA C 13 61.81 0.05 . 1 . . . . 100 THR CA . 16503 2 374 . 1 1 100 100 THR CB C 13 70.06 0.05 . 1 . . . . 100 THR CB . 16503 2 375 . 1 1 100 100 THR N N 15 115.7 0.08 . 1 . . . . 100 THR N . 16503 2 376 . 1 1 101 101 GLN H H 1 8.277 0.005 . 1 . . . . 101 GLN H . 16503 2 377 . 1 1 101 101 GLN CA C 13 55.93 0.05 . 1 . . . . 101 GLN CA . 16503 2 378 . 1 1 101 101 GLN CB C 13 29.72 0.05 . 1 . . . . 101 GLN CB . 16503 2 379 . 1 1 101 101 GLN N N 15 122.5 0.08 . 1 . . . . 101 GLN N . 16503 2 380 . 1 1 102 102 ALA H H 1 8.369 0.005 . 1 . . . . 102 ALA H . 16503 2 381 . 1 1 102 102 ALA CA C 13 52.72 0.05 . 1 . . . . 102 ALA CA . 16503 2 382 . 1 1 102 102 ALA CB C 13 19.41 0.05 . 1 . . . . 102 ALA CB . 16503 2 383 . 1 1 102 102 ALA N N 15 125.1 0.08 . 1 . . . . 102 ALA N . 16503 2 384 . 1 1 103 103 ASN H H 1 8.402 0.005 . 1 . . . . 103 ASN H . 16503 2 385 . 1 1 103 103 ASN CA C 13 53.17 0.05 . 1 . . . . 103 ASN CA . 16503 2 386 . 1 1 103 103 ASN CB C 13 39.00 0.05 . 1 . . . . 103 ASN CB . 16503 2 387 . 1 1 103 103 ASN N N 15 118.0 0.08 . 1 . . . . 103 ASN N . 16503 2 388 . 1 1 104 104 LYS H H 1 8.296 0.005 . 1 . . . . 104 LYS H . 16503 2 389 . 1 1 104 104 LYS CA C 13 56.47 0.05 . 1 . . . . 104 LYS CA . 16503 2 390 . 1 1 104 104 LYS CB C 13 33.36 0.05 . 1 . . . . 104 LYS CB . 16503 2 391 . 1 1 104 104 LYS N N 15 121.6 0.08 . 1 . . . . 104 LYS N . 16503 2 392 . 1 1 105 105 HIS H H 1 8.664 0.005 . 1 . . . . 105 HIS H . 16503 2 393 . 1 1 105 105 HIS CA C 13 55.19 0.05 . 1 . . . . 105 HIS CA . 16503 2 394 . 1 1 105 105 HIS CB C 13 29.11 0.05 . 1 . . . . 105 HIS CB . 16503 2 395 . 1 1 105 105 HIS N N 15 119.9 0.08 . 1 . . . . 105 HIS N . 16503 2 396 . 1 1 106 106 ILE H H 1 8.304 0.005 . 1 . . . . 106 ILE H . 16503 2 397 . 1 1 106 106 ILE CA C 13 61.01 0.05 . 1 . . . . 106 ILE CA . 16503 2 398 . 1 1 106 106 ILE CB C 13 38.99 0.05 . 1 . . . . 106 ILE CB . 16503 2 399 . 1 1 106 106 ILE N N 15 123.0 0.08 . 1 . . . . 106 ILE N . 16503 2 400 . 1 1 107 107 ILE H H 1 8.461 0.005 . 1 . . . . 107 ILE H . 16503 2 401 . 1 1 107 107 ILE CA C 13 60.81 0.05 . 1 . . . . 107 ILE CA . 16503 2 402 . 1 1 107 107 ILE CB C 13 38.66 0.05 . 1 . . . . 107 ILE CB . 16503 2 403 . 1 1 107 107 ILE N N 15 126.4 0.08 . 1 . . . . 107 ILE N . 16503 2 404 . 1 1 108 108 VAL H H 1 8.405 0.005 . 1 . . . . 108 VAL H . 16503 2 405 . 1 1 108 108 VAL CA C 13 62.00 0.05 . 1 . . . . 108 VAL CA . 16503 2 406 . 1 1 108 108 VAL CB C 13 33.02 0.05 . 1 . . . . 108 VAL CB . 16503 2 407 . 1 1 108 108 VAL N N 15 125.7 0.08 . 1 . . . . 108 VAL N . 16503 2 408 . 1 1 109 109 ALA H H 1 8.443 0.005 . 1 . . . . 109 ALA H . 16503 2 409 . 1 1 109 109 ALA CA C 13 52.25 0.05 . 1 . . . . 109 ALA CA . 16503 2 410 . 1 1 109 109 ALA CB C 13 19.64 0.05 . 1 . . . . 109 ALA CB . 16503 2 411 . 1 1 109 109 ALA N N 15 127.7 0.08 . 1 . . . . 109 ALA N . 16503 2 412 . 1 1 110 110 CYS H H 1 8.487 0.005 . 1 . . . . 110 CYS H . 16503 2 413 . 1 1 110 110 CYS CA C 13 55.22 0.05 . 1 . . . . 110 CYS CA . 16503 2 414 . 1 1 110 110 CYS CB C 13 40.79 0.05 . 1 . . . . 110 CYS CB . 16503 2 415 . 1 1 110 110 CYS N N 15 118.6 0.08 . 1 . . . . 110 CYS N . 16503 2 416 . 1 1 111 111 GLU CA C 13 55.89 0.05 . 1 . . . . 111 GLU CA . 16503 2 417 . 1 1 111 111 GLU CB C 13 29.34 0.05 . 1 . . . . 111 GLU CB . 16503 2 418 . 1 1 112 112 GLY H H 1 8.428 0.005 . 1 . . . . 112 GLY H . 16503 2 419 . 1 1 112 112 GLY CA C 13 45.00 0.05 . 1 . . . . 112 GLY CA . 16503 2 420 . 1 1 112 112 GLY N N 15 109.8 0.08 . 1 . . . . 112 GLY N . 16503 2 421 . 1 1 113 113 ASN H H 1 8.433 0.005 . 1 . . . . 113 ASN H . 16503 2 422 . 1 1 113 113 ASN CA C 13 51.28 0.05 . 1 . . . . 113 ASN CA . 16503 2 423 . 1 1 113 113 ASN CB C 13 39.06 0.05 . 1 . . . . 113 ASN CB . 16503 2 424 . 1 1 113 113 ASN N N 15 119.5 0.08 . 1 . . . . 113 ASN N . 16503 2 425 . 1 1 114 114 PRO CA C 13 63.37 0.05 . 1 . . . . 114 PRO CA . 16503 2 426 . 1 1 114 114 PRO CB C 13 32.21 0.05 . 1 . . . . 114 PRO CB . 16503 2 427 . 1 1 115 115 TYR H H 1 8.289 0.005 . 1 . . . . 115 TYR H . 16503 2 428 . 1 1 115 115 TYR CA C 13 58.06 0.05 . 1 . . . . 115 TYR CA . 16503 2 429 . 1 1 115 115 TYR CB C 13 38.79 0.05 . 1 . . . . 115 TYR CB . 16503 2 430 . 1 1 115 115 TYR N N 15 120.8 0.08 . 1 . . . . 115 TYR N . 16503 2 431 . 1 1 116 116 VAL H H 1 7.888 0.005 . 1 . . . . 116 VAL H . 16503 2 432 . 1 1 116 116 VAL CA C 13 59.31 0.05 . 1 . . . . 116 VAL CA . 16503 2 433 . 1 1 116 116 VAL CB C 13 33.30 0.05 . 1 . . . . 116 VAL CB . 16503 2 434 . 1 1 116 116 VAL N N 15 124.9 0.08 . 1 . . . . 116 VAL N . 16503 2 435 . 1 1 117 117 PRO CA C 13 62.94 0.05 . 1 . . . . 117 PRO CA . 16503 2 436 . 1 1 117 117 PRO CB C 13 32.36 0.05 . 1 . . . . 117 PRO CB . 16503 2 437 . 1 1 118 118 VAL H H 1 8.145 0.005 . 1 . . . . 118 VAL H . 16503 2 438 . 1 1 118 118 VAL CA C 13 62.39 0.05 . 1 . . . . 118 VAL CA . 16503 2 439 . 1 1 118 118 VAL CB C 13 33.07 0.05 . 1 . . . . 118 VAL CB . 16503 2 440 . 1 1 118 118 VAL N N 15 120.3 0.08 . 1 . . . . 118 VAL N . 16503 2 441 . 1 1 119 119 HIS H H 1 8.569 0.005 . 1 . . . . 119 HIS H . 16503 2 442 . 1 1 119 119 HIS C C 13 173.6 0.05 . 1 . . . . 119 HIS C . 16503 2 443 . 1 1 119 119 HIS CA C 13 54.86 0.05 . 1 . . . . 119 HIS CA . 16503 2 444 . 1 1 119 119 HIS CB C 13 29.41 0.05 . 1 . . . . 119 HIS CB . 16503 2 445 . 1 1 119 119 HIS N N 15 122.1 0.08 . 1 . . . . 119 HIS N . 16503 2 446 . 1 1 120 120 PHE H H 1 8.521 0.005 . 1 . . . . 120 PHE H . 16503 2 447 . 1 1 120 120 PHE C C 13 175.1 0.05 . 1 . . . . 120 PHE C . 16503 2 448 . 1 1 120 120 PHE CA C 13 57.75 0.05 . 1 . . . . 120 PHE CA . 16503 2 449 . 1 1 120 120 PHE CB C 13 40.31 0.05 . 1 . . . . 120 PHE CB . 16503 2 450 . 1 1 120 120 PHE N N 15 123.2 0.08 . 1 . . . . 120 PHE N . 16503 2 451 . 1 1 121 121 ASP H H 1 8.665 0.005 . 1 . . . . 121 ASP H . 16503 2 452 . 1 1 121 121 ASP CA C 13 52.67 0.05 . 1 . . . . 121 ASP CA . 16503 2 453 . 1 1 121 121 ASP CB C 13 38.41 0.05 . 1 . . . . 121 ASP CB . 16503 2 454 . 1 1 121 121 ASP N N 15 122.2 0.08 . 1 . . . . 121 ASP N . 16503 2 455 . 1 1 122 122 ALA H H 1 8.260 0.005 . 1 . . . . 122 ALA H . 16503 2 456 . 1 1 122 122 ALA CA C 13 52.62 0.05 . 1 . . . . 122 ALA CA . 16503 2 457 . 1 1 122 122 ALA CB C 13 19.61 0.05 . 1 . . . . 122 ALA CB . 16503 2 458 . 1 1 122 122 ALA N N 15 125.0 0.08 . 1 . . . . 122 ALA N . 16503 2 459 . 1 1 123 123 SER H H 1 8.281 0.005 . 1 . . . . 123 SER H . 16503 2 460 . 1 1 123 123 SER CA C 13 58.50 0.05 . 1 . . . . 123 SER CA . 16503 2 461 . 1 1 123 123 SER CB C 13 63.98 0.05 . 1 . . . . 123 SER CB . 16503 2 462 . 1 1 123 123 SER N N 15 115.0 0.08 . 1 . . . . 123 SER N . 16503 2 463 . 1 1 124 124 VAL H H 1 8.066 0.005 . 1 . . . . 124 VAL H . 16503 2 464 . 1 1 124 124 VAL CA C 13 61.32 0.05 . 1 . . . . 124 VAL CA . 16503 2 465 . 1 1 124 124 VAL CB C 13 32.94 0.05 . 1 . . . . 124 VAL CB . 16503 2 466 . 1 1 124 124 VAL N N 15 119.4 0.08 . 1 . . . . 124 VAL N . 16503 2 stop_ save_