data_16499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16499 _Entry.Title ; (1-77)Apomyoglobin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-15 _Entry.Accession_date 2009-09-15 _Entry.Last_release_date 2010-11-01 _Entry.Original_release_date 2010-11-01 _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 'Assignment of 1H, 13C, and 15N Resonances in Unfolded (1-77)Apomyoglobin at pH 2.40. Chemical shift reference - DSS' _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 Daria Fedyukina . . . 16499 2 Silvia Cavagnero . . . 16499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 16499 '15N chemical shifts' 76 16499 '1H chemical shifts' 76 16499 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-01 2009-09-15 original author . 16499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16500 (1-119)Apomyoglobin 16499 BMRB 16501 (1-153)Apomyoglobin 16499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20816043 _Citation.Full_citation . _Citation.Title 'Contribution of long-range interactions to the secondary structure of an unfolded globin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 99 _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 L37 _Citation.Page_last L39 _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 Daria Fedyukina . V. . 16499 1 2 Senapathy Rajagopalan . . . 16499 1 3 Ashok Sekhar . . . 16499 1 4 Eric Fulmer . C. . 16499 1 5 Ye-Jin Eun . . . 16499 1 6 Silvia Cavagnero . . . 16499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16499 _Assembly.ID 1 _Assembly.Name '(1-77)Apomyoglobin pH 2.40' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 (1-77)Apomyoglobin 1 $1-77_Apomyoglobin A . yes unfolded no no . . . 16499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1-77_Apomyoglobin _Entity.Sf_category entity _Entity.Sf_framecode 1-77_Apomyoglobin _Entity.Entry_ID 16499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1-77_Apomyoglobin _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 ; MVLSEGEWQLVLHVWAKVEA DVAGHGQDILIRLFKSHPET LEKFDRFKHLKTEAEMKASE DLKKHGVTVLTALGAILK ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1027 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 2 no BMRB 1029 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 3 no BMRB 1200 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 4 no BMRB 1413 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 5 no BMRB 1455 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 6 no BMRB 1457 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 7 no BMRB 1459 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 8 no BMRB 1461 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 9 no BMRB 1463 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 10 no BMRB 1465 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 11 no BMRB 1467 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 12 no BMRB 1469 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 13 no BMRB 1471 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 14 no BMRB 15589 . Apomyoglobin_(1-77) . . . . . 98.72 77 100.00 100.00 1.13e-45 . . . . 16499 1 15 no BMRB 16217 . apomyoglobin . . . . . 98.72 119 100.00 100.00 1.89e-45 . . . . 16499 1 16 no BMRB 16218 . apoMb_1-119_fragment . . . . . 98.72 119 100.00 100.00 1.89e-45 . . . . 16499 1 17 no BMRB 16500 . (1-119)Apomyoglobin . . . . . 100.00 120 100.00 100.00 2.19e-46 . . . . 16499 1 18 no BMRB 16501 . (1-153)Apomyoglobin . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 19 no BMRB 1752 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 20 no BMRB 2345 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 21 no BMRB 2346 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 22 no BMRB 2347 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 23 no BMRB 2348 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 24 no BMRB 2431 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 25 no BMRB 2432 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 26 no BMRB 2433 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 27 no BMRB 2434 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 28 no BMRB 291 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 29 no BMRB 292 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 30 no BMRB 293 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 31 no BMRB 40 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 32 no BMRB 4061 . apomyoglobin . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 33 no BMRB 4062 . apomyoglobin . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 34 no BMRB 426 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 35 no BMRB 4568 . myoglobin . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 36 no BMRB 4676 . "unfolded myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 37 no BMRB 4695 . myoglobin . . . . . 98.72 153 98.70 98.70 6.20e-44 . . . . 16499 1 38 no PDB 101M . "Sperm Whale Myoglobin F46v N-Butyl Isocyanide At Ph 9.0" . . . . . 100.00 154 98.72 98.72 4.53e-45 . . . . 16499 1 39 no PDB 102M . "Sperm Whale Myoglobin H64a Aquomet At Ph 9.0" . . . . . 100.00 154 98.72 98.72 7.63e-45 . . . . 16499 1 40 no PDB 103M . "Sperm Whale Myoglobin H64a N-Butyl Isocyanide At Ph 9.0" . . . . . 100.00 154 98.72 98.72 7.63e-45 . . . . 16499 1 41 no PDB 104M . "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 7.0" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 42 no PDB 105M . "Sperm Whale Myoglobin N-Butyl Isocyanide At Ph 9.0" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 43 no PDB 106M . "Sperm Whale Myoglobin V68f Ethyl Isocyanide At Ph 9.0" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 44 no PDB 107M . "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 9.0" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 45 no PDB 108M . "Sperm Whale Myoglobin V68f N-Butyl Isocyanide At Ph 7.0" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 46 no PDB 109M . "Sperm Whale Myoglobin D122n Ethyl Isocyanide At Ph 9.0" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 47 no PDB 110M . "Sperm Whale Myoglobin D122n Methyl Isocyanide At Ph 9.0" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 48 no PDB 111M . "Sperm Whale Myoglobin D122n N-Butyl Isocyanide At Ph 9.0" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 49 no PDB 112M . "Sperm Whale Myoglobin D122n N-Propyl Isocyanide At Ph 9.0" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 50 no PDB 1A6G . "Carbonmonoxy-Myoglobin, Atomic Resolution" . . . . . 98.72 151 100.00 100.00 2.24e-45 . . . . 16499 1 51 no PDB 1A6K . "Aquomet-Myoglobin, Atomic Resolution" . . . . . 98.72 151 100.00 100.00 3.49e-45 . . . . 16499 1 52 no PDB 1A6M . "Oxy-Myoglobin, Atomic Resolution" . . . . . 98.72 151 100.00 100.00 3.49e-45 . . . . 16499 1 53 no PDB 1A6N . "Deoxy-Myoglobin, Atomic Resolution" . . . . . 98.72 151 100.00 100.00 3.49e-45 . . . . 16499 1 54 no PDB 1ABS . "Photolysed Carbonmonoxy-Myoglobin At 20 K" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 55 no PDB 1AJG . "Carbonmonoxy Myoglobin At 40 K" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 56 no PDB 1AJH . "Photoproduct Of Carbonmonoxy Myoglobin At 40 K" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 57 no PDB 1BVC . "Structure Of A Biliverdin Apomyoglobin Complex (Form D) At 118 K" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 58 no PDB 1BVD . "Structure Of A Biliverdin Apomyoglobin Complex (Form B) At 98 K" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 59 no PDB 1BZ6 . "Atomic Resolution Crystal Structure Aquomet-Myoglobin From Sperm Whale At Room Temperature" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 60 no PDB 1BZP . "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 61 no PDB 1BZR . "Atomic Resolution Crystal Structure Analysis Of Native Deoxy And Co Myoglobin From Sperm Whale At Room Temperature" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 62 no PDB 1CH1 . "Recombinant Sperm Whale Myoglobin L89g Mutatnt (Met)" . . . . . 100.00 154 100.00 100.00 3.58e-46 . . . . 16499 1 63 no PDB 1CH2 . "Recombinant Sperm Whale Myoglobin L89f Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.91e-46 . . . . 16499 1 64 no PDB 1CH3 . "Recombinant Sperm Whale Myoglobin L89w Mutant (Met)" . . . . . 100.00 154 100.00 100.00 6.58e-46 . . . . 16499 1 65 no PDB 1CH5 . "Recombinant Sperm Whale Myoglobin H97v Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.43e-46 . . . . 16499 1 66 no PDB 1CH7 . "Recombinant Sperm Whale Myoglobin H97f Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.78e-46 . . . . 16499 1 67 no PDB 1CH9 . "Recombinant Sperm Whale Myoglobin H97q Mutant (Met)" . . . . . 100.00 154 100.00 100.00 2.73e-46 . . . . 16499 1 68 no PDB 1CIK . "Recombinant Sperm Whale Myoglobin I99a Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.18e-46 . . . . 16499 1 69 no PDB 1CIO . "Recombinant Sperm Whale Myoglobin I99v Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.25e-46 . . . . 16499 1 70 no PDB 1CO8 . "Recombinant Sperm Whale Myoglobin L104a Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.29e-46 . . . . 16499 1 71 no PDB 1CO9 . "Recombinant Sperm Whale Myoglobin L104v Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.25e-46 . . . . 16499 1 72 no PDB 1CP0 . "Recombinant Sperm Whale Myoglobin L104n Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.11e-46 . . . . 16499 1 73 no PDB 1CP5 . "Recombinant Sperm Whale Myoglobin L104f Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.91e-46 . . . . 16499 1 74 no PDB 1CPW . "Recombinant Sperm Whale Myoglobin L104w Mutant (Met)" . . . . . 100.00 154 100.00 100.00 6.58e-46 . . . . 16499 1 75 no PDB 1CQ2 . "Neutron Struture Of Fully Deuterated Sperm Whale Myoglobin At 2.0 Angstrom" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 76 no PDB 1DO1 . "Carbonmonoxy-Myoglobin Mutant L29w At 105k" . . . . . 98.72 154 98.70 98.70 4.18e-44 . . . . 16499 1 77 no PDB 1DO3 . "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T>180k" . . . . . 98.72 154 98.70 98.70 4.18e-44 . . . . 16499 1 78 no PDB 1DO4 . "Carbonmonoxy-Myoglobin (Mutant L29w) After Photolysis At T<180k" . . . . . 98.72 154 98.70 98.70 4.18e-44 . . . . 16499 1 79 no PDB 1DO7 . "Carbonmonoxy-Myoglobin (Mutant L29w) Rebinding Structure After Photolysis At T< 180k" . . . . . 98.72 154 98.70 98.70 4.18e-44 . . . . 16499 1 80 no PDB 1DTI . "Recombinant Sperm Whale Myoglobin H97d, D122n Mutant (Met)" . . . . . 100.00 154 100.00 100.00 3.58e-46 . . . . 16499 1 81 no PDB 1DTM . "Crystal Structure Of The Sperm-Whale Myoglobin Mutant H93g Complexed With 4-Methylimidazole, Metaquo Form" . . . . . 98.72 153 100.00 100.00 3.18e-45 . . . . 16499 1 82 no PDB 1DUK . "Wild-Type Recombinant Sperm Whale Metaquomyoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 83 no PDB 1DUO . "Sperm Whale Metaquomyoglobin Proximal Histidine Mutant H93g With 1-Methylimidazole As Proximal Ligand." . . . . . 98.72 153 100.00 100.00 3.18e-45 . . . . 16499 1 84 no PDB 1EBC . "Sperm Whale Met-Myoglobin:cyanide Complex" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 85 no PDB 1F6H . "Combined Rietveld And Stereochemical Restraint Refinement Of A Protein" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 86 no PDB 1FCS . "Crystal Structure Of A Distal Site Double Mutant Of Sperm Whale Myoglobin At 1.6 Angstroms Resolution" . . . . . 100.00 154 97.44 97.44 1.09e-43 . . . . 16499 1 87 no PDB 1H1X . "Sperm Whale Myoglobin Mutant T67r S92d" . . . . . 100.00 154 98.72 98.72 2.88e-45 . . . . 16499 1 88 no PDB 1HJT . "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 89 no PDB 1IOP . "Incorporation Of A Hemin With The Shortest Acid Side-Chains Into Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 90 no PDB 1IRC . "Cysteine Rich Intestinal Protein" . . . . . 100.00 154 100.00 100.00 3.83e-46 . . . . 16499 1 91 no PDB 1J3F . "Crystal Structure Of An Artificial Metalloprotein:cr(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" . . . . . 100.00 154 98.72 98.72 1.90e-45 . . . . 16499 1 92 no PDB 1J52 . "Recombinant Sperm Whale Myoglobin In The Presence Of 7atm Xenon" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 93 no PDB 1JDO . "Sperm Whale Myoglobin (Ferrous, Nitric Oxide Bound)" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 94 no PDB 1JP6 . "Sperm Whale Met-Myoglobin (Room Temperature; Room Pressure)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 95 no PDB 1JP8 . "Sperm Whale Met-Myoglobin (Room Temperature; High Pressure)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 96 no PDB 1JP9 . "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 97 no PDB 1JPB . "Sperm Whale Met-Myoglobin (Low Temperature; High Pressure)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 98 no PDB 1JW8 . "1.3 Angstrom Resolution Crystal Structure Of P6 Form Of Myoglobin" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 99 no PDB 1L2K . "Neutron Structure Determination Of Sperm Whale Met-Myoglobin At 1.5a Resolution." . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 100 no PDB 1LTW . "Recombinant Sperm Whale Myoglobin 29w Mutant (oxy)" . . . . . 100.00 154 98.72 98.72 5.63e-45 . . . . 16499 1 101 no PDB 1LUE . "Recombinant Sperm Whale Myoglobin H64d/v68a/d122n Mutant (met)" . . . . . 100.00 154 97.44 97.44 2.71e-44 . . . . 16499 1 102 no PDB 1MBC . "X-Ray Structure And Refinement Of Carbon-Monoxy (Fe Ii)- Myoglobin At 1.5 Angstroms Resolution" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 103 no PDB 1MBD . "Neutron Diffraction Reveals Oxygen-Histidine Hydrogen Bond In Oxymyoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 104 no PDB 1MBI . "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 105 no PDB 1MBN . "The Stereochemistry Of The Protein Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 106 no PDB 1MBO . "Structure And Refinement Of Oxymyoglobin At 1.6 Angstroms Resolution" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 107 no PDB 1MCY . "Sperm Whale Myoglobin (Mutant With Initiator Met And With His 64 Replaced By Gln, Leu 29 Replaced By Phe" . . . . . 100.00 154 97.44 97.44 1.30e-44 . . . . 16499 1 108 no PDB 1MGN . "His64(E7)-> Tyr Apomyoglobin As A Reagent For Measuring Rates Of Hemin Dissociation" . . . . . 100.00 154 98.72 100.00 1.64e-45 . . . . 16499 1 109 no PDB 1MLF . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.26e-45 . . . . 16499 1 110 no PDB 1MLG . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.26e-45 . . . . 16499 1 111 no PDB 1MLH . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.26e-45 . . . . 16499 1 112 no PDB 1MLJ . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 113 no PDB 1MLK . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 114 no PDB 1MLL . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 98.72 1.95e-45 . . . . 16499 1 115 no PDB 1MLM . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 5.24e-46 . . . . 16499 1 116 no PDB 1MLN . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 5.24e-46 . . . . 16499 1 117 no PDB 1MLO . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 5.24e-46 . . . . 16499 1 118 no PDB 1MLQ . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 1.06e-45 . . . . 16499 1 119 no PDB 1MLR . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 1.06e-45 . . . . 16499 1 120 no PDB 1MLS . "Structural And Functional Effects Of Apolar Mutations Of Val68(E11) In Myoglobin" . . . . . 100.00 154 98.72 100.00 1.06e-45 . . . . 16499 1 121 no PDB 1MLU . "Nitric Oxide Recombination To Double Mutants Of Myoglobin: The Role Of Ligand Diffusion In A Fluctuating Heme Pocket" . . . . . 100.00 154 97.44 97.44 3.56e-44 . . . . 16499 1 122 no PDB 1MOA . "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 123 no PDB 1MOB . "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 9.58e-45 . . . . 16499 1 124 no PDB 1MOC . "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 8.06e-45 . . . . 16499 1 125 no PDB 1MOD . "High-Resolution Crystal Structures Of Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 8.06e-45 . . . . 16499 1 126 no PDB 1MTI . "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 2.97e-45 . . . . 16499 1 127 no PDB 1MTJ . "Phe46(Cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 4.53e-45 . . . . 16499 1 128 no PDB 1MTK . "Phe46(cd4) Orients The Distal Histidine For Hydrogen Bonding To Bound Ligands In Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 4.53e-45 . . . . 16499 1 129 no PDB 1MYF . "Solution Structure Of Carbonmonoxy Myoglobin Determined From Nmr Distance And Chemical Shift Constraints" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 130 no PDB 1MYM . "Structural Determinants Of Co Stretching Vibration Frequencies In Myoglobin" . . . . . 100.00 154 98.72 98.72 4.53e-45 . . . . 16499 1 131 no PDB 1O16 . "Recombinant Sperm Whale Myoglobin H64dV68SD122N MUTANT (Met)" . . . . . 100.00 154 97.44 97.44 4.18e-44 . . . . 16499 1 132 no PDB 1OFJ . "Recombinant Sperm Whale Myoglobin L29hH64LD122N MUTANT (With Initiator Met)" . . . . . 100.00 154 97.44 97.44 1.83e-43 . . . . 16499 1 133 no PDB 1OFK . "Recombinant Sperm Whale Myoglobin F43h, H64l Mutant (Met)" . . . . . 100.00 154 97.44 97.44 2.56e-43 . . . . 16499 1 134 no PDB 1SPE . "Sperm Whale Native Co Myoglobin At Ph 4.0, Temp 4c" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 135 no PDB 1SWM . "X-Ray Crystal Structure Of The Ferric Sperm Whale Myoglobin: Imidazole Complex At 2.0 Angstroms Resolution" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 136 no PDB 1TES . "Oxygen Binding Muscle Protein" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 137 no PDB 1U7R . "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form2 )" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 138 no PDB 1U7S . "Crystal Structure Of Native Sperm Whale Myoglobin From Low Ionic Strength Enviroment (form 1)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 139 no PDB 1UFJ . "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-A71g Myoglobin" . . . . . 100.00 154 98.72 98.72 1.90e-45 . . . . 16499 1 140 no PDB 1UFP . "Crystal Structure Of An Artificial Metalloprotein:fe(Iii)(3, 3'-Me2-Salophen)APO-Wild Type Myoglobin" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 141 no PDB 1V9Q . "Crystal Structure Of An Artificial Metalloprotein:mn(iii)(3, 3'-me2-salophen)/apo-a71g Myoglobin" . . . . . 100.00 154 98.72 98.72 1.90e-45 . . . . 16499 1 142 no PDB 1VXA . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 143 no PDB 1VXB . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 144 no PDB 1VXC . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 145 no PDB 1VXD . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 146 no PDB 1VXE . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 147 no PDB 1VXF . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 148 no PDB 1VXG . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 149 no PDB 1VXH . "Native Sperm Whale Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 150 no PDB 1WVP . "Structure Of Chemically Modified Myoglobin With Distal N- Tetrazolyl-Histidine E7(64)" . . . . . 98.72 153 98.70 98.70 6.77e-44 . . . . 16499 1 151 no PDB 1YOG . "Cobalt Myoglobin (Deoxy)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 152 no PDB 1YOH . "Cobalt Myoglobin (Met)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 153 no PDB 1YOI . "Cobalt Myoglobin (Oxy)" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 154 no PDB 2BLH . "Ligand Migration And Protein Fluctuations In Myoglobin Mutant L29w" . . . . . 98.72 153 98.70 98.70 4.07e-44 . . . . 16499 1 155 no PDB 2BLI . "L29w Mb Deoxy" . . . . . 98.72 153 98.70 98.70 4.07e-44 . . . . 16499 1 156 no PDB 2BLJ . "Structure Of L29w Mbco" . . . . . 98.72 153 98.70 98.70 4.07e-44 . . . . 16499 1 157 no PDB 2BW9 . "Laue Structure Of L29w Mbco" . . . . . 98.72 153 98.70 98.70 4.07e-44 . . . . 16499 1 158 no PDB 2BWH . "Laue Structure Of A Short Lived State Of L29w Myoglobin" . . . . . 98.72 153 98.70 98.70 4.07e-44 . . . . 16499 1 159 no PDB 2CMM . "Structural Analysis Of The Myoglobin Reconstituted With Iron Porphine" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 160 no PDB 2D6C . "Crystal Structure Of Myoglobin Reconstituted With Iron Porphycene" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 161 no PDB 2EB8 . "Crystal Structure Of Cu(Ii)(Sal-Phe)APO-Myoglobin" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 162 no PDB 2EB9 . "Crystal Structure Of Cu(ii)(sal-leu)/apo-myoglobin" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 163 no PDB 2EF2 . "Crystal Structure Of An Artificial Metalloprotein:rh(Phebox- Ph)APO-A71g Myoglobin" . . . . . 100.00 154 98.72 98.72 1.90e-45 . . . . 16499 1 164 no PDB 2EKT . "Crystal Structure Of Myoglobin Reconstituted With 6-Methyl-6- Depropionatehemin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 165 no PDB 2EKU . "Crystal Structure Of Myoglobin Reconstituted With 7-Methyl-7- Depropionatehemin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 166 no PDB 2EVK . "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" . . . . . 98.72 153 100.00 100.00 3.18e-45 . . . . 16499 1 167 no PDB 2EVP . "The Structures Of Thiolate- And Carboxylate-Ligated Ferric H93g Myoglobin: Models For Cytochrome P450 And For Oxyanion-Bound He" . . . . . 98.72 153 100.00 100.00 3.18e-45 . . . . 16499 1 168 no PDB 2G0R . "Unphotolyzed Co-bound L29f Myoglobin" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 169 no PDB 2G0S . "Unphotolyzed Co-bound L29f Myoglobin, Crystal 2" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 170 no PDB 2G0V . "Photolyzed Co L29f Myoglobin: 100ps" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 171 no PDB 2G0X . "Photolyzed Co L29f Myoglobin: 316ps" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 172 no PDB 2G0Z . "Photolyzed Co L29f Myoglobin: 1ns" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 173 no PDB 2G10 . "Photolyzed Co L29f Myoglobin: 3.16ns" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 174 no PDB 2G11 . "Photolyzed Co L29f Myoglobin: 31.6ns" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 175 no PDB 2G12 . "Photolyzed Co L29f Myoglobin: 316ns" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 176 no PDB 2G14 . "Photolyzed Co L29f Myoglobin: 3.16us" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 177 no PDB 2JHO . "Cyanomet Sperm Whale Myoglobin At 1.4a Resolution" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 178 no PDB 2MB5 . "Hydration In Protein Crystals. A Neutron Diffraction Analysis Of Carbonmonoxymyoglobin" . . . . . 97.44 153 100.00 100.00 1.52e-44 . . . . 16499 1 179 no PDB 2MBW . "Recombinant Sperm Whale Myoglobin (Met)" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 180 no PDB 2MGA . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 9.58e-45 . . . . 16499 1 181 no PDB 2MGB . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 9.58e-45 . . . . 16499 1 182 no PDB 2MGC . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 1.40e-44 . . . . 16499 1 183 no PDB 2MGD . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 1.40e-44 . . . . 16499 1 184 no PDB 2MGE . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 1.40e-44 . . . . 16499 1 185 no PDB 2MGF . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 3.31e-45 . . . . 16499 1 186 no PDB 2MGG . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 3.31e-45 . . . . 16499 1 187 no PDB 2MGH . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 3.31e-45 . . . . 16499 1 188 no PDB 2MGI . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 8.06e-45 . . . . 16499 1 189 no PDB 2MGJ . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 1.68e-44 . . . . 16499 1 190 no PDB 2MGK . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 191 no PDB 2MGL . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 192 no PDB 2MGM . "High Resolution Crystal Structures Of Five Distal Histidine Mutants Of Sperm Whale Myoglobin" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 193 no PDB 2MYA . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 194 no PDB 2MYB . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 195 no PDB 2MYC . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 196 no PDB 2MYD . "High Resolution X-ray Structures Of Myoglobin-and Hemoglobin-alkyl Isocyanide Complexes" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 197 no PDB 2MYE . "High Resolution X-Ray Structures Of Myoglobin-And Hemoglobin-Alkyl Isocyanide Complexes" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 198 no PDB 2OH8 . "Myoglobin Cavity Mutant I28w" . . . . . 100.00 154 98.72 98.72 9.90e-45 . . . . 16499 1 199 no PDB 2OH9 . "Myoglobin Cavity Mutant V68w" . . . . . 100.00 154 98.72 98.72 9.38e-45 . . . . 16499 1 200 no PDB 2OHA . "Myoglobin Cavity Mutant F138w" . . . . . 100.00 154 100.00 100.00 6.17e-46 . . . . 16499 1 201 no PDB 2OHB . "Myoglobin Cavity Mutant I107w" . . . . . 100.00 154 100.00 100.00 6.95e-46 . . . . 16499 1 202 no PDB 2SPL . "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 203 no PDB 2SPM . "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 204 no PDB 2SPN . "A Novel Site-Directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" . . . . . 100.00 154 98.72 98.72 1.16e-45 . . . . 16499 1 205 no PDB 2SPO . "A Novel Site-directed Mutant Of Myoglobin With An Unusually High O2 Affinity And Low Autooxidation Rate" . . . . . 100.00 154 98.72 100.00 9.51e-46 . . . . 16499 1 206 no PDB 2W6W . "Crystal Structure Of Recombinant Sperm Whale Myoglobin Under 1atm Of Xenon" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 207 no PDB 2Z6S . "Crystal Structure Of The Oxy Myoglobin Free From X-ray- Induced Photoreduction" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 208 no PDB 2Z6T . "Crystal Structure Of The Ferric Peroxo Myoglobin" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 209 no PDB 2ZSN . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [300 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 210 no PDB 2ZSO . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [450 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 211 no PDB 2ZSP . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [300 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 212 no PDB 2ZSQ . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [150 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 213 no PDB 2ZSR . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [450 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 214 no PDB 2ZSS . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [300 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 215 no PDB 2ZST . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [450 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 216 no PDB 2ZSX . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [600 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 217 no PDB 2ZSY . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [750 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 218 no PDB 2ZSZ . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [600 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 219 no PDB 2ZT0 . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [750 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 220 no PDB 2ZT1 . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [810 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 221 no PDB 2ZT2 . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [600 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 222 no PDB 2ZT3 . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [750 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 223 no PDB 2ZT4 . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [810 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 224 no PDB 3A2G . "Crystal Structure Of K102c-Myoglobin Conjugated With Fluorescein" . . . . . 100.00 154 100.00 100.00 5.13e-46 . . . . 16499 1 225 no PDB 3ASE . "Crystal Structure Of Zinc Myoglobin Soaked With Ru3o Cluster" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 226 no PDB 3E4N . "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser Off" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 227 no PDB 3E55 . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser Off" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 228 no PDB 3E5I . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser Off" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 229 no PDB 3E5O . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser Off" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 230 no PDB 3ECL . "Carbonmonoxy Sperm Whale Myoglobin At 40 K: Laser On" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 231 no PDB 3ECX . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [30 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 232 no PDB 3ECZ . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [30 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 233 no PDB 3ED9 . "Carbonmonoxy Sperm Whale Myoglobin At 140 K: Laser On [30 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 234 no PDB 3EDA . "Carbonmonoxy Sperm Whale Myoglobin At 100 K: Laser On [150 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 235 no PDB 3EDB . "Carbonmonoxy Sperm Whale Myoglobin At 120 K: Laser On [150 Min]" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 236 no PDB 3H57 . "Myoglobin Cavity Mutant H64lv68n Deoxy Form" . . . . . 100.00 154 97.44 97.44 1.13e-43 . . . . 16499 1 237 no PDB 3H58 . "Myoglobin Cavity Mutant H64lv68n Met Form" . . . . . 100.00 154 97.44 97.44 1.13e-43 . . . . 16499 1 238 no PDB 3MN0 . "Introducing A 2-His-1-Glu Non-Heme Iron Center Into Myoglobin Confers Nitric Oxide Reductase Activity: Cu(Ii)-Cn-Febmb(-His) Fo" . . . . . 98.72 153 97.40 97.40 6.04e-43 . . . . 16499 1 239 no PDB 3NML . "Sperm Whale Myoglobin Mutant H64w Carbonmonoxy-Form" . . . . . 100.00 154 98.72 98.72 2.71e-44 . . . . 16499 1 240 no PDB 3O89 . "Crystal Structure Of Sperm Whale Myoglobin G65t" . . . . . 98.72 153 98.70 98.70 4.58e-44 . . . . 16499 1 241 no PDB 3OGB . "Sperm Whale Myoglobin Mutant H64w Deoxy-Form" . . . . . 100.00 154 98.72 98.72 2.71e-44 . . . . 16499 1 242 no PDB 3SDN . "Structure Of G65i Sperm Whale Myoglobin Mutant" . . . . . 100.00 154 98.72 98.72 1.40e-44 . . . . 16499 1 243 no PDB 3U3E . "Complex Of Wild Type Myoglobin With Phenol In Its Proximal Cavity" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 244 no PDB 4FWZ . "Aquoferric Cub Myoglobin (L29h F43h Sperm Whale Myoglobin)" . . . . . 98.72 153 97.40 97.40 5.85e-43 . . . . 16499 1 245 no PDB 4H07 . "Complex Of G65t Myoglobin With Phenol In Its Proximal Cavity" . . . . . 100.00 154 98.72 98.72 5.28e-45 . . . . 16499 1 246 no PDB 4H0B . "Complex Of G65t Myoglobin With Dmso In Its Distal Cavity" . . . . . 100.00 154 98.72 98.72 5.28e-45 . . . . 16499 1 247 no PDB 4IT8 . "A Sperm Whale Myoglobin Mutant L29h Mb With Two Distal Histidines" . . . . . 100.00 154 98.72 98.72 5.28e-45 . . . . 16499 1 248 no PDB 4LPI . "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Distal Hydrogen-bonding Network" . . . . . 100.00 154 97.44 98.72 9.90e-45 . . . . 16499 1 249 no PDB 4MBN . "Refinement Of Myoglobin And Cytochrome C" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 250 no PDB 4NXA . "Sperm Whale Myoglobin Under Xenon Pressure 30 Bar" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 251 no PDB 4NXC . "Sperm Whale Myoglobin Under 30 Bar Nitrous Oxide" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 252 no PDB 4OF9 . "Structure Of K42n Variant Of Sperm Whale Myoglobin" . . . . . 98.72 153 98.70 98.70 1.21e-44 . . . . 16499 1 253 no PDB 4OOD . "Structure Of K42y Mutant Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 98.72 3.07e-45 . . . . 16499 1 254 no PDB 4PNJ . "Recombinant Sperm Whale P6 Myoglobin Solved With Single Pulse Free Electron Laser Data" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 255 no PDB 4PQ6 . "A Sperm Whale Myoglobin Single Mutant L29e Mb With Native His93 Coordination" . . . . . 100.00 154 98.72 98.72 4.79e-45 . . . . 16499 1 256 no PDB 4PQB . "A Sperm Whale Myoglobin Double Mutant L29e/f43h Mb With A Non-native Bis-his (his64/his93) Coordination" . . . . . 100.00 154 97.44 97.44 7.04e-44 . . . . 16499 1 257 no PDB 4PQC . "A Sperm Whale Myoglobin Single Mutant F43h Mb With Native His93 Coordination" . . . . . 100.00 154 98.72 98.72 6.77e-45 . . . . 16499 1 258 no PDB 4QAU . "Crystal Structure Of F43y Mutant Of Sperm Whale Myoglobin" . . . . . 100.00 154 98.72 100.00 9.11e-46 . . . . 16499 1 259 no PDB 5C6Y . "A Sperm Whale Myoglobin Double Mutant L29h/f43y Mb With A Tyr-heme Cross-link" . . . . . 100.00 154 97.44 98.72 9.90e-45 . . . . 16499 1 260 no PDB 5MBN . "Refinement Of Myoglobin And Cytochrome C" . . . . . 98.72 153 100.00 100.00 3.40e-45 . . . . 16499 1 261 no DBJ BAF03579 . "myoglobin [Physeter catodon]" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 262 no GB AAA72199 . "synthetic myoglobin [synthetic construct]" . . . . . 100.00 154 100.00 100.00 3.36e-46 . . . . 16499 1 263 no PRF 742482A . myoglobin . . . . . 98.72 153 100.00 100.00 2.73e-45 . . . . 16499 1 264 no REF NP_001277651 . "myoglobin [Physeter catodon]" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 1 265 no SP P02185 . "RecName: Full=Myoglobin" . . . . . 100.00 154 100.00 100.00 3.70e-46 . . . . 16499 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 0 MET . 16499 1 2 1 VAL . 16499 1 3 2 LEU . 16499 1 4 3 SER . 16499 1 5 4 GLU . 16499 1 6 5 GLY . 16499 1 7 6 GLU . 16499 1 8 7 TRP . 16499 1 9 8 GLN . 16499 1 10 9 LEU . 16499 1 11 10 VAL . 16499 1 12 11 LEU . 16499 1 13 12 HIS . 16499 1 14 13 VAL . 16499 1 15 14 TRP . 16499 1 16 15 ALA . 16499 1 17 16 LYS . 16499 1 18 17 VAL . 16499 1 19 18 GLU . 16499 1 20 19 ALA . 16499 1 21 20 ASP . 16499 1 22 21 VAL . 16499 1 23 22 ALA . 16499 1 24 23 GLY . 16499 1 25 24 HIS . 16499 1 26 25 GLY . 16499 1 27 26 GLN . 16499 1 28 27 ASP . 16499 1 29 28 ILE . 16499 1 30 29 LEU . 16499 1 31 30 ILE . 16499 1 32 31 ARG . 16499 1 33 32 LEU . 16499 1 34 33 PHE . 16499 1 35 34 LYS . 16499 1 36 35 SER . 16499 1 37 36 HIS . 16499 1 38 37 PRO . 16499 1 39 38 GLU . 16499 1 40 39 THR . 16499 1 41 40 LEU . 16499 1 42 41 GLU . 16499 1 43 42 LYS . 16499 1 44 43 PHE . 16499 1 45 44 ASP . 16499 1 46 45 ARG . 16499 1 47 46 PHE . 16499 1 48 47 LYS . 16499 1 49 48 HIS . 16499 1 50 49 LEU . 16499 1 51 50 LYS . 16499 1 52 51 THR . 16499 1 53 52 GLU . 16499 1 54 53 ALA . 16499 1 55 54 GLU . 16499 1 56 55 MET . 16499 1 57 56 LYS . 16499 1 58 57 ALA . 16499 1 59 58 SER . 16499 1 60 59 GLU . 16499 1 61 60 ASP . 16499 1 62 61 LEU . 16499 1 63 62 LYS . 16499 1 64 63 LYS . 16499 1 65 64 HIS . 16499 1 66 65 GLY . 16499 1 67 66 VAL . 16499 1 68 67 THR . 16499 1 69 68 VAL . 16499 1 70 69 LEU . 16499 1 71 70 THR . 16499 1 72 71 ALA . 16499 1 73 72 LEU . 16499 1 74 73 GLY . 16499 1 75 74 ALA . 16499 1 76 75 ILE . 16499 1 77 76 LEU . 16499 1 78 77 LYS . 16499 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16499 1 . VAL 2 2 16499 1 . LEU 3 3 16499 1 . SER 4 4 16499 1 . GLU 5 5 16499 1 . GLY 6 6 16499 1 . GLU 7 7 16499 1 . TRP 8 8 16499 1 . GLN 9 9 16499 1 . LEU 10 10 16499 1 . VAL 11 11 16499 1 . LEU 12 12 16499 1 . HIS 13 13 16499 1 . VAL 14 14 16499 1 . TRP 15 15 16499 1 . ALA 16 16 16499 1 . LYS 17 17 16499 1 . VAL 18 18 16499 1 . GLU 19 19 16499 1 . ALA 20 20 16499 1 . ASP 21 21 16499 1 . VAL 22 22 16499 1 . ALA 23 23 16499 1 . GLY 24 24 16499 1 . HIS 25 25 16499 1 . GLY 26 26 16499 1 . GLN 27 27 16499 1 . ASP 28 28 16499 1 . ILE 29 29 16499 1 . LEU 30 30 16499 1 . ILE 31 31 16499 1 . ARG 32 32 16499 1 . LEU 33 33 16499 1 . PHE 34 34 16499 1 . LYS 35 35 16499 1 . SER 36 36 16499 1 . HIS 37 37 16499 1 . PRO 38 38 16499 1 . GLU 39 39 16499 1 . THR 40 40 16499 1 . LEU 41 41 16499 1 . GLU 42 42 16499 1 . LYS 43 43 16499 1 . PHE 44 44 16499 1 . ASP 45 45 16499 1 . ARG 46 46 16499 1 . PHE 47 47 16499 1 . LYS 48 48 16499 1 . HIS 49 49 16499 1 . LEU 50 50 16499 1 . LYS 51 51 16499 1 . THR 52 52 16499 1 . GLU 53 53 16499 1 . ALA 54 54 16499 1 . GLU 55 55 16499 1 . MET 56 56 16499 1 . LYS 57 57 16499 1 . ALA 58 58 16499 1 . SER 59 59 16499 1 . GLU 60 60 16499 1 . ASP 61 61 16499 1 . LEU 62 62 16499 1 . LYS 63 63 16499 1 . LYS 64 64 16499 1 . HIS 65 65 16499 1 . GLY 66 66 16499 1 . VAL 67 67 16499 1 . THR 68 68 16499 1 . VAL 69 69 16499 1 . LEU 70 70 16499 1 . THR 71 71 16499 1 . ALA 72 72 16499 1 . LEU 73 73 16499 1 . GLY 74 74 16499 1 . ALA 75 75 16499 1 . ILE 76 76 16499 1 . LEU 77 77 16499 1 . LYS 78 78 16499 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 16499 _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 $1-77_Apomyoglobin . 9755 organism . 'Physeter catodon' 'Sperm Whale' . . Eukaryota Metazoa Physeter catodon . . . . . . . . . . . . . . . . . . . . . 16499 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 16499 _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 $1-77_Apomyoglobin . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli BL21-DE3 . . . . . . . . . . . . . . . pET-17b . . . . . . 16499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16499 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '5 mM CD3COOH in H2O, pH 2.40, 5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 (1-77)Apomyoglobin '[U-99% 13C; U-99% 15N]' . . 1 $1-77_Apomyoglobin . . 313 . . uM . . . . 16499 1 2 CD3COOH 'natural abundance' . . . . . . 5 . . mM . . . . 16499 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16499 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16499 1 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 16499 _Sample_condition_list.ID 1 _Sample_condition_list.Details . 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 pH 2.40 . pH 16499 1 pressure 1 . atm 16499 1 temperature 298.15 . K 16499 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16499 _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 . . 16499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16499 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16499 _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 Varian INOVA . 600 . . . 16499 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 16499 _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 . . . . . . . . . . . . . . . . 16499 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16499 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16499 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16499 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16499 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 16499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'external referencing to DSS' 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 carbon' . . . . ppm 0.0 external indirect 1 . . . . . . . . . 16499 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . . . . . 16499 1 N 15 DSS nitrogen . . . . ppm 0.0 external indirect 1 . . . . . . . . . 16499 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 16499 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16499 1 2 '3D HNCA' . . . 16499 1 3 '3D HNCO' . . . 16499 1 4 '3D HNCACB' . . . 16499 1 5 '3D HN(CO)CA' . . . 16499 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 . . 16499 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 MET C C 13 178.524 . . 1 . . . . 0 M C . 16499 1 2 . 1 1 1 1 MET CA C 13 55.093 . . 1 . . . . 0 M CA . 16499 1 3 . 1 1 2 2 VAL H H 1 8.609 . . 1 . . . . 1 V H . 16499 1 4 . 1 1 2 2 VAL C C 13 175.475 . . 1 . . . . 1 V C . 16499 1 5 . 1 1 2 2 VAL CA C 13 62.316 . . 1 . . . . 1 V CA . 16499 1 6 . 1 1 2 2 VAL CB C 13 33.004 . . 1 . . . . 1 V CB . 16499 1 7 . 1 1 2 2 VAL N N 15 123.77 . . 1 . . . . 1 V N . 16499 1 8 . 1 1 3 3 LEU H H 1 8.467 . . 1 . . . . 2 L H . 16499 1 9 . 1 1 3 3 LEU C C 13 177.062 . . 1 . . . . 2 L C . 16499 1 10 . 1 1 3 3 LEU CA C 13 54.93 . . 1 . . . . 2 L CA . 16499 1 11 . 1 1 3 3 LEU CB C 13 42.663 . . 1 . . . . 2 L CB . 16499 1 12 . 1 1 3 3 LEU N N 15 127.122 . . 1 . . . . 2 L N . 16499 1 13 . 1 1 4 4 SER H H 1 8.285 . . 1 . . . . 3 S H . 16499 1 14 . 1 1 4 4 SER C C 13 174.598 . . 1 . . . . 3 S C . 16499 1 15 . 1 1 4 4 SER CA C 13 57.978 . . 1 . . . . 3 S CA . 16499 1 16 . 1 1 4 4 SER CB C 13 63.977 . . 1 . . . . 3 S CB . 16499 1 17 . 1 1 4 4 SER N N 15 117.114 . . 1 . . . . 3 S N . 16499 1 18 . 1 1 5 5 GLU H H 1 8.533 . . 1 . . . . 4 E H . 16499 1 19 . 1 1 5 5 GLU C C 13 176.875 . . 1 . . . . 4 E C . 16499 1 20 . 1 1 5 5 GLU CA C 13 56.749 . . 1 . . . . 4 E CA . 16499 1 21 . 1 1 5 5 GLU CB C 13 28.628 . . 1 . . . . 4 E CB . 16499 1 22 . 1 1 5 5 GLU N N 15 122.157 . . 1 . . . . 4 E N . 16499 1 23 . 1 1 6 6 GLY H H 1 8.448 . . 1 . . . . 5 G H . 16499 1 24 . 1 1 6 6 GLY C C 13 174.751 . . 1 . . . . 5 G C . 16499 1 25 . 1 1 6 6 GLY CA C 13 45.695 . . 1 . . . . 5 G CA . 16499 1 26 . 1 1 6 6 GLY N N 15 108.744 . . 1 . . . . 5 G N . 16499 1 27 . 1 1 7 7 GLU H H 1 8.108 . . 1 . . . . 6 E H . 16499 1 28 . 1 1 7 7 GLU C C 13 176.594 . . 1 . . . . 6 E C . 16499 1 29 . 1 1 7 7 GLU CA C 13 56.709 . . 1 . . . . 6 E CA . 16499 1 30 . 1 1 7 7 GLU CB C 13 28.679 . . 1 . . . . 6 E CB . 16499 1 31 . 1 1 7 7 GLU N N 15 120.302 . . 1 . . . . 6 E N . 16499 1 32 . 1 1 8 8 TRP H H 1 8.202 . . 1 . . . . 7 W H . 16499 1 33 . 1 1 8 8 TRP C C 13 176.601 . . 1 . . . . 7 W C . 16499 1 34 . 1 1 8 8 TRP CA C 13 58.047 . . 1 . . . . 7 W CA . 16499 1 35 . 1 1 8 8 TRP CB C 13 29.478 . . 1 . . . . 7 W CB . 16499 1 36 . 1 1 8 8 TRP N N 15 121.044 . . 1 . . . . 7 W N . 16499 1 37 . 1 1 9 9 GLN H H 1 8.105 . . 1 . . . . 8 Q H . 16499 1 38 . 1 1 9 9 GLN C C 13 176.273 . . 1 . . . . 8 Q C . 16499 1 39 . 1 1 9 9 GLN CA C 13 56.836 . . 1 . . . . 8 Q CA . 16499 1 40 . 1 1 9 9 GLN CB C 13 29.362 . . 1 . . . . 8 Q CB . 16499 1 41 . 1 1 9 9 GLN N N 15 119.544 . . 1 . . . . 8 Q N . 16499 1 42 . 1 1 10 10 LEU H H 1 7.864 . . 1 . . . . 9 L H . 16499 1 43 . 1 1 10 10 LEU C C 13 177.668 . . 1 . . . . 9 L C . 16499 1 44 . 1 1 10 10 LEU CA C 13 56.243 . . 1 . . . . 9 L CA . 16499 1 45 . 1 1 10 10 LEU CB C 13 42.201 . . 1 . . . . 9 L CB . 16499 1 46 . 1 1 10 10 LEU N N 15 121.747 . . 1 . . . . 9 L N . 16499 1 47 . 1 1 11 11 VAL H H 1 7.947 . . 1 . . . . 10 V H . 16499 1 48 . 1 1 11 11 VAL C C 13 176.257 . . 1 . . . . 10 V C . 16499 1 49 . 1 1 11 11 VAL CA C 13 63.151 . . 1 . . . . 10 V CA . 16499 1 50 . 1 1 11 11 VAL CB C 13 32.469 . . 1 . . . . 10 V CB . 16499 1 51 . 1 1 11 11 VAL N N 15 120.653 . . 1 . . . . 10 V N . 16499 1 52 . 1 1 12 12 LEU H H 1 8.118 . . 1 . . . . 11 L H . 16499 1 53 . 1 1 12 12 LEU C C 13 177.38 . . 1 . . . . 11 L C . 16499 1 54 . 1 1 12 12 LEU CA C 13 55.647 . . 1 . . . . 11 L CA . 16499 1 55 . 1 1 12 12 LEU CB C 13 42.179 . . 1 . . . . 11 L CB . 16499 1 56 . 1 1 12 12 LEU N N 15 123.546 . . 1 . . . . 11 L N . 16499 1 57 . 1 1 13 13 HIS H H 1 8.251 . . 1 . . . . 12 H H . 16499 1 58 . 1 1 13 13 HIS C C 13 174.521 . . 1 . . . . 12 H C . 16499 1 59 . 1 1 13 13 HIS CA C 13 55.78 . . 1 . . . . 12 H CA . 16499 1 60 . 1 1 13 13 HIS CB C 13 28.695 . . 1 . . . . 12 H CB . 16499 1 61 . 1 1 13 13 HIS N N 15 117.8 . . 1 . . . . 12 H N . 16499 1 62 . 1 1 14 14 VAL H H 1 8.006 . . 1 . . . . 13 V H . 16499 1 63 . 1 1 14 14 VAL C C 13 175.953 . . 1 . . . . 13 V C . 16499 1 64 . 1 1 14 14 VAL CA C 13 62.919 . . 1 . . . . 13 V CA . 16499 1 65 . 1 1 14 14 VAL CB C 13 32.837 . . 1 . . . . 13 V CB . 16499 1 66 . 1 1 14 14 VAL N N 15 120.719 . . 1 . . . . 13 V N . 16499 1 67 . 1 1 15 15 TRP H H 1 8.276 . . 1 . . . . 14 W H . 16499 1 68 . 1 1 15 15 TRP C C 13 175.866 . . 1 . . . . 14 W C . 16499 1 69 . 1 1 15 15 TRP CA C 13 57.517 . . 1 . . . . 14 W CA . 16499 1 70 . 1 1 15 15 TRP CB C 13 29.806 . . 1 . . . . 14 W CB . 16499 1 71 . 1 1 15 15 TRP N N 15 124.208 . . 1 . . . . 14 W N . 16499 1 72 . 1 1 16 16 ALA H H 1 8.198 . . 1 . . . . 15 A H . 16499 1 73 . 1 1 16 16 ALA C C 13 177.482 . . 1 . . . . 15 A C . 16499 1 74 . 1 1 16 16 ALA CA C 13 52.72 . . 1 . . . . 15 A CA . 16499 1 75 . 1 1 16 16 ALA CB C 13 19.541 . . 1 . . . . 15 A CB . 16499 1 76 . 1 1 16 16 ALA N N 15 124.256 . . 1 . . . . 15 A N . 16499 1 77 . 1 1 17 17 LYS H H 1 8.029 . . 1 . . . . 16 K H . 16499 1 78 . 1 1 17 17 LYS C C 13 176.838 . . 1 . . . . 16 K C . 16499 1 79 . 1 1 17 17 LYS CA C 13 56.745 . . 1 . . . . 16 K CA . 16499 1 80 . 1 1 17 17 LYS CB C 13 32.919 . . 1 . . . . 16 K CB . 16499 1 81 . 1 1 17 17 LYS N N 15 120.159 . . 1 . . . . 16 K N . 16499 1 82 . 1 1 18 18 VAL H H 1 8.062 . . 1 . . . . 17 V H . 16499 1 83 . 1 1 18 18 VAL C C 13 176.418 . . 1 . . . . 17 V C . 16499 1 84 . 1 1 18 18 VAL CA C 13 62.658 . . 1 . . . . 17 V CA . 16499 1 85 . 1 1 18 18 VAL CB C 13 32.839 . . 1 . . . . 17 V CB . 16499 1 86 . 1 1 18 18 VAL N N 15 121.017 . . 1 . . . . 17 V N . 16499 1 87 . 1 1 19 19 GLU H H 1 8.349 . . 1 . . . . 18 E H . 16499 1 88 . 1 1 19 19 GLU C C 13 176.039 . . 1 . . . . 18 E C . 16499 1 89 . 1 1 19 19 GLU CA C 13 55.964 . . 1 . . . . 18 E CA . 16499 1 90 . 1 1 19 19 GLU CB C 13 28.777 . . 1 . . . . 18 E CB . 16499 1 91 . 1 1 19 19 GLU N N 15 123.458 . . 1 . . . . 18 E N . 16499 1 92 . 1 1 20 20 ALA H H 1 8.148 . . 1 . . . . 19 A H . 16499 1 93 . 1 1 20 20 ALA C C 13 177.553 . . 1 . . . . 19 A C . 16499 1 94 . 1 1 20 20 ALA CA C 13 52.845 . . 1 . . . . 19 A CA . 16499 1 95 . 1 1 20 20 ALA CB C 13 19.373 . . 1 . . . . 19 A CB . 16499 1 96 . 1 1 20 20 ALA N N 15 124.554 . . 1 . . . . 19 A N . 16499 1 97 . 1 1 21 21 ASP H H 1 8.33 . . 1 . . . . 20 D H . 16499 1 98 . 1 1 21 21 ASP C C 13 175.403 . . 1 . . . . 20 D C . 16499 1 99 . 1 1 21 21 ASP CA C 13 53.195 . . 1 . . . . 20 D CA . 16499 1 100 . 1 1 21 21 ASP CB C 13 38.274 . . 1 . . . . 20 D CB . 16499 1 101 . 1 1 21 21 ASP N N 15 117.808 . . 1 . . . . 20 D N . 16499 1 102 . 1 1 22 22 VAL H H 1 8.003 . . 1 . . . . 21 V H . 16499 1 103 . 1 1 22 22 VAL C C 13 176.063 . . 1 . . . . 21 V C . 16499 1 104 . 1 1 22 22 VAL CA C 13 62.481 . . 1 . . . . 21 V CA . 16499 1 105 . 1 1 22 22 VAL CB C 13 32.73 . . 1 . . . . 21 V CB . 16499 1 106 . 1 1 22 22 VAL N N 15 120.157 . . 1 . . . . 21 V N . 16499 1 107 . 1 1 23 23 ALA H H 1 8.316 . . 1 . . . . 22 A H . 16499 1 108 . 1 1 23 23 ALA C C 13 178.259 . . 1 . . . . 22 A C . 16499 1 109 . 1 1 23 23 ALA CA C 13 52.841 . . 1 . . . . 22 A CA . 16499 1 110 . 1 1 23 23 ALA CB C 13 19.118 . . 1 . . . . 22 A CB . 16499 1 111 . 1 1 23 23 ALA N N 15 126.802 . . 1 . . . . 22 A N . 16499 1 112 . 1 1 24 24 GLY H H 1 8.28 . . 1 . . . . 23 G H . 16499 1 113 . 1 1 24 24 GLY C C 13 174.27 . . 1 . . . . 23 G C . 16499 1 114 . 1 1 24 24 GLY CA C 13 45.402 . . 1 . . . . 23 G CA . 16499 1 115 . 1 1 24 24 GLY N N 15 107.696 . . 1 . . . . 23 G N . 16499 1 116 . 1 1 25 25 HIS H H 1 8.377 . . 1 . . . . 24 H H . 16499 1 117 . 1 1 25 25 HIS C C 13 175.035 . . 1 . . . . 24 H C . 16499 1 118 . 1 1 25 25 HIS CA C 13 55.417 . . 1 . . . . 24 H CA . 16499 1 119 . 1 1 25 25 HIS CB C 13 28.981 . . 1 . . . . 24 H CB . 16499 1 120 . 1 1 25 25 HIS N N 15 117.683 . . 1 . . . . 24 H N . 16499 1 121 . 1 1 26 26 GLY H H 1 8.548 . . 1 . . . . 25 G H . 16499 1 122 . 1 1 26 26 GLY C C 13 174.217 . . 1 . . . . 25 G C . 16499 1 123 . 1 1 26 26 GLY CA C 13 45.612 . . 1 . . . . 25 G CA . 16499 1 124 . 1 1 26 26 GLY N N 15 109.714 . . 1 . . . . 25 G N . 16499 1 125 . 1 1 27 27 GLN H H 1 8.346 . . 1 . . . . 26 Q H . 16499 1 126 . 1 1 27 27 GLN C C 13 175.947 . . 1 . . . . 26 Q C . 16499 1 127 . 1 1 27 27 GLN CA C 13 56.279 . . 1 . . . . 26 Q CA . 16499 1 128 . 1 1 27 27 GLN CB C 13 29.534 . . 1 . . . . 26 Q CB . 16499 1 129 . 1 1 27 27 GLN N N 15 119.736 . . 1 . . . . 26 Q N . 16499 1 130 . 1 1 28 28 ASP H H 1 8.54 . . 1 . . . . 27 D H . 16499 1 131 . 1 1 28 28 ASP C C 13 175.402 . . 1 . . . . 27 D C . 16499 1 132 . 1 1 28 28 ASP CA C 13 53.609 . . 1 . . . . 27 D CA . 16499 1 133 . 1 1 28 28 ASP CB C 13 38.321 . . 1 . . . . 27 D CB . 16499 1 134 . 1 1 28 28 ASP N N 15 120.16 . . 1 . . . . 27 D N . 16499 1 135 . 1 1 29 29 ILE H H 1 8.049 . . 1 . . . . 28 I H . 16499 1 136 . 1 1 29 29 ILE C C 13 176.085 . . 1 . . . . 28 I C . 16499 1 137 . 1 1 29 29 ILE CA C 13 61.72 . . 1 . . . . 28 I CA . 16499 1 138 . 1 1 29 29 ILE CB C 13 38.507 . . 1 . . . . 28 I CB . 16499 1 139 . 1 1 29 29 ILE N N 15 121.02 . . 1 . . . . 28 I N . 16499 1 140 . 1 1 30 30 LEU H H 1 8.109 . . 1 . . . . 29 L H . 16499 1 141 . 1 1 30 30 LEU C C 13 177.261 . . 1 . . . . 29 L C . 16499 1 142 . 1 1 30 30 LEU CA C 13 55.642 . . 1 . . . . 29 L CA . 16499 1 143 . 1 1 30 30 LEU CB C 13 42.184 . . 1 . . . . 29 L CB . 16499 1 144 . 1 1 30 30 LEU N N 15 124.93 . . 1 . . . . 29 L N . 16499 1 145 . 1 1 31 31 ILE H H 1 8.005 . . 1 . . . . 30 I H . 16499 1 146 . 1 1 31 31 ILE C C 13 176.341 . . 1 . . . . 30 I C . 16499 1 147 . 1 1 31 31 ILE CA C 13 61.648 . . 1 . . . . 30 I CA . 16499 1 148 . 1 1 31 31 ILE CB C 13 38.5 . . 1 . . . . 30 I CB . 16499 1 149 . 1 1 31 31 ILE N N 15 121.524 . . 1 . . . . 30 I N . 16499 1 150 . 1 1 32 32 ARG H H 1 8.168 . . 1 . . . . 31 R H . 16499 1 151 . 1 1 32 32 ARG C C 13 176.21 . . 1 . . . . 31 R C . 16499 1 152 . 1 1 32 32 ARG CA C 13 56.502 . . 1 . . . . 31 R CA . 16499 1 153 . 1 1 32 32 ARG CB C 13 30.777 . . 1 . . . . 31 R CB . 16499 1 154 . 1 1 32 32 ARG N N 15 123.997 . . 1 . . . . 31 R N . 16499 1 155 . 1 1 33 33 LEU H H 1 8.092 . . 1 . . . . 32 L H . 16499 1 156 . 1 1 33 33 LEU C C 13 177.128 . . 1 . . . . 32 L C . 16499 1 157 . 1 1 33 33 LEU CA C 13 55.403 . . 1 . . . . 32 L CA . 16499 1 158 . 1 1 33 33 LEU CB C 13 42.49 . . 1 . . . . 32 L CB . 16499 1 159 . 1 1 33 33 LEU N N 15 122.825 . . 1 . . . . 32 L N . 16499 1 160 . 1 1 34 34 PHE H H 1 8.206 . . 1 . . . . 33 F H . 16499 1 161 . 1 1 34 34 PHE C C 13 175.76 . . 1 . . . . 33 F C . 16499 1 162 . 1 1 34 34 PHE CA C 13 57.874 . . 1 . . . . 33 F CA . 16499 1 163 . 1 1 34 34 PHE CB C 13 39.658 . . 1 . . . . 33 F CB . 16499 1 164 . 1 1 34 34 PHE N N 15 120.792 . . 1 . . . . 33 F N . 16499 1 165 . 1 1 35 35 LYS H H 1 8.172 . . 1 . . . . 34 K H . 16499 1 166 . 1 1 35 35 LYS C C 13 176.252 . . 1 . . . . 34 K C . 16499 1 167 . 1 1 35 35 LYS CA C 13 56.336 . . 1 . . . . 34 K CA . 16499 1 168 . 1 1 35 35 LYS CB C 13 33.199 . . 1 . . . . 34 K CB . 16499 1 169 . 1 1 35 35 LYS N N 15 122.494 . . 1 . . . . 34 K N . 16499 1 170 . 1 1 36 36 SER H H 1 8.157 . . 1 . . . . 35 S H . 16499 1 171 . 1 1 36 36 SER C C 13 173.872 . . 1 . . . . 35 S C . 16499 1 172 . 1 1 36 36 SER CA C 13 58.349 . . 1 . . . . 35 S CA . 16499 1 173 . 1 1 36 36 SER CB C 13 63.909 . . 1 . . . . 35 S CB . 16499 1 174 . 1 1 36 36 SER N N 15 116.25 . . 1 . . . . 35 S N . 16499 1 175 . 1 1 37 37 HIS H H 1 8.466 . . 1 . . . . 36 H H . 16499 1 176 . 1 1 37 37 HIS C C 13 173.872 . . 1 . . . . 36 H C . 16499 1 177 . 1 1 37 37 HIS CA C 13 53.474 . . 1 . . . . 36 H CA . 16499 1 178 . 1 1 37 37 HIS CB C 13 28.76 . . 1 . . . . 36 H CB . 16499 1 179 . 1 1 37 37 HIS N N 15 120.121 . . 1 . . . . 36 H N . 16499 1 180 . 1 1 38 38 PRO C C 13 177.117 . . 1 . . . . 37 P C . 16499 1 181 . 1 1 38 38 PRO CA C 13 63.528 . . 1 . . . . 37 P CA . 16499 1 182 . 1 1 38 38 PRO CB C 13 32.15 . . 1 . . . . 37 P CB . 16499 1 183 . 1 1 39 39 GLU H H 1 8.654 . . 1 . . . . 38 E H . 16499 1 184 . 1 1 39 39 GLU C C 13 176.43 . . 1 . . . . 38 E C . 16499 1 185 . 1 1 39 39 GLU CA C 13 56.163 . . 1 . . . . 38 E CA . 16499 1 186 . 1 1 39 39 GLU CB C 13 29.023 . . 1 . . . . 38 E CB . 16499 1 187 . 1 1 39 39 GLU N N 15 121.086 . . 1 . . . . 38 E N . 16499 1 188 . 1 1 40 40 THR H H 1 8.238 . . 1 . . . . 39 T H . 16499 1 189 . 1 1 40 40 THR C C 13 174.458 . . 1 . . . . 39 T C . 16499 1 190 . 1 1 40 40 THR CA C 13 62.288 . . 1 . . . . 39 T CA . 16499 1 191 . 1 1 40 40 THR CB C 13 69.69 . . 1 . . . . 39 T CB . 16499 1 192 . 1 1 40 40 THR N N 15 116.306 . . 1 . . . . 39 T N . 16499 1 193 . 1 1 41 41 LEU H H 1 8.24 . . 1 . . . . 40 L H . 16499 1 194 . 1 1 41 41 LEU C C 13 177.316 . . 1 . . . . 40 L C . 16499 1 195 . 1 1 41 41 LEU CA C 13 55.493 . . 1 . . . . 40 L CA . 16499 1 196 . 1 1 41 41 LEU CB C 13 42.385 . . 1 . . . . 40 L CB . 16499 1 197 . 1 1 41 41 LEU N N 15 124.724 . . 1 . . . . 40 L N . 16499 1 198 . 1 1 42 42 GLU H H 1 8.282 . . 1 . . . . 41 E H . 16499 1 199 . 1 1 42 42 GLU C C 13 176.206 . . 1 . . . . 41 E C . 16499 1 200 . 1 1 42 42 GLU CA C 13 56.221 . . 1 . . . . 41 E CA . 16499 1 201 . 1 1 42 42 GLU CB C 13 28.814 . . 1 . . . . 41 E CB . 16499 1 202 . 1 1 42 42 GLU N N 15 121.26 . . 1 . . . . 41 E N . 16499 1 203 . 1 1 43 43 LYS H H 1 8.202 . . 1 . . . . 42 K H . 16499 1 204 . 1 1 43 43 LYS C C 13 176.434 . . 1 . . . . 42 K C . 16499 1 205 . 1 1 43 43 LYS CA C 13 56.775 . . 1 . . . . 42 K CA . 16499 1 206 . 1 1 43 43 LYS CB C 13 32.956 . . 1 . . . . 42 K CB . 16499 1 207 . 1 1 43 43 LYS N N 15 121.932 . . 1 . . . . 42 K N . 16499 1 208 . 1 1 44 44 PHE H H 1 8.168 . . 1 . . . . 43 F H . 16499 1 209 . 1 1 44 44 PHE C C 13 175.569 . . 1 . . . . 43 F C . 16499 1 210 . 1 1 44 44 PHE CA C 13 57.95 . . 1 . . . . 43 F CA . 16499 1 211 . 1 1 44 44 PHE CB C 13 39.683 . . 1 . . . . 43 F CB . 16499 1 212 . 1 1 44 44 PHE N N 15 120.678 . . 1 . . . . 43 F N . 16499 1 213 . 1 1 45 45 ASP H H 1 8.361 . . 1 . . . . 44 D H . 16499 1 214 . 1 1 45 45 ASP C C 13 175.632 . . 1 . . . . 44 D C . 16499 1 215 . 1 1 45 45 ASP CA C 13 53.329 . . 1 . . . . 44 D CA . 16499 1 216 . 1 1 45 45 ASP CB C 13 38.988 . . 1 . . . . 44 D CB . 16499 1 217 . 1 1 45 45 ASP N N 15 121.297 . . 1 . . . . 44 D N . 16499 1 218 . 1 1 46 46 ARG H H 1 8.145 . . 1 . . . . 45 R H . 16499 1 219 . 1 1 46 46 ARG C C 13 176.291 . . 1 . . . . 45 R C . 16499 1 220 . 1 1 46 46 ARG CA C 13 57.055 . . 1 . . . . 45 R CA . 16499 1 221 . 1 1 46 46 ARG CB C 13 30.311 . . 1 . . . . 45 R CB . 16499 1 222 . 1 1 46 46 ARG N N 15 121.772 . . 1 . . . . 45 R N . 16499 1 223 . 1 1 47 47 PHE H H 1 8.002 . . 1 . . . . 46 F H . 16499 1 224 . 1 1 47 47 PHE C C 13 175.838 . . 1 . . . . 46 F C . 16499 1 225 . 1 1 47 47 PHE CA C 13 57.842 . . 1 . . . . 46 F CA . 16499 1 226 . 1 1 47 47 PHE CB C 13 39.194 . . 1 . . . . 46 F CB . 16499 1 227 . 1 1 47 47 PHE N N 15 119.3 . . 1 . . . . 46 F N . 16499 1 228 . 1 1 48 48 LYS H H 1 7.978 . . 1 . . . . 47 K H . 16499 1 229 . 1 1 48 48 LYS C C 13 176.262 . . 1 . . . . 47 K C . 16499 1 230 . 1 1 48 48 LYS CA C 13 56.682 . . 1 . . . . 47 K CA . 16499 1 231 . 1 1 48 48 LYS CB C 13 33.06 . . 1 . . . . 47 K CB . 16499 1 232 . 1 1 48 48 LYS N N 15 121.366 . . 1 . . . . 47 K N . 16499 1 233 . 1 1 49 49 HIS H H 1 8.432 . . 1 . . . . 48 H H . 16499 1 234 . 1 1 49 49 HIS C C 13 174.354 . . 1 . . . . 48 H C . 16499 1 235 . 1 1 49 49 HIS CA C 13 55.331 . . 1 . . . . 48 H CA . 16499 1 236 . 1 1 49 49 HIS CB C 13 28.828 . . 1 . . . . 48 H CB . 16499 1 237 . 1 1 49 49 HIS N N 15 119.301 . . 1 . . . . 48 H N . 16499 1 238 . 1 1 50 50 LEU H H 1 8.262 . . 1 . . . . 49 L H . 16499 1 239 . 1 1 50 50 LEU C C 13 177.427 . . 1 . . . . 49 L C . 16499 1 240 . 1 1 50 50 LEU CA C 13 55.384 . . 1 . . . . 49 L CA . 16499 1 241 . 1 1 50 50 LEU CB C 13 42.63 . . 1 . . . . 49 L CB . 16499 1 242 . 1 1 50 50 LEU N N 15 123.686 . . 1 . . . . 49 L N . 16499 1 243 . 1 1 51 51 LYS H H 1 8.398 . . 1 . . . . 50 K H . 16499 1 244 . 1 1 51 51 LYS C C 13 176.889 . . 1 . . . . 50 K C . 16499 1 245 . 1 1 51 51 LYS CA C 13 56.705 . . 1 . . . . 50 K CA . 16499 1 246 . 1 1 51 51 LYS CB C 13 33.207 . . 1 . . . . 50 K CB . 16499 1 247 . 1 1 51 51 LYS N N 15 122.507 . . 1 . . . . 50 K N . 16499 1 248 . 1 1 52 52 THR H H 1 8.068 . . 1 . . . . 51 T H . 16499 1 249 . 1 1 52 52 THR C C 13 174.935 . . 1 . . . . 51 T C . 16499 1 250 . 1 1 52 52 THR CA C 13 61.851 . . 1 . . . . 51 T CA . 16499 1 251 . 1 1 52 52 THR CB C 13 70.029 . . 1 . . . . 51 T CB . 16499 1 252 . 1 1 52 52 THR N N 15 114.963 . . 1 . . . . 51 T N . 16499 1 253 . 1 1 53 53 GLU H H 1 8.503 . . 1 . . . . 52 E H . 16499 1 254 . 1 1 53 53 GLU C C 13 176.678 . . 1 . . . . 52 E C . 16499 1 255 . 1 1 53 53 GLU CA C 13 56.995 . . 1 . . . . 52 E CA . 16499 1 256 . 1 1 53 53 GLU CB C 13 28.607 . . 1 . . . . 52 E CB . 16499 1 257 . 1 1 53 53 GLU N N 15 122.372 . . 1 . . . . 52 E N . 16499 1 258 . 1 1 54 54 ALA H H 1 8.336 . . 1 . . . . 53 A H . 16499 1 259 . 1 1 54 54 ALA C C 13 178.732 . . 1 . . . . 53 A C . 16499 1 260 . 1 1 54 54 ALA CA C 13 53.533 . . 1 . . . . 53 A CA . 16499 1 261 . 1 1 54 54 ALA CB C 13 18.942 . . 1 . . . . 53 A CB . 16499 1 262 . 1 1 54 54 ALA N N 15 123.863 . . 1 . . . . 53 A N . 16499 1 263 . 1 1 55 55 GLU H H 1 8.132 . . 1 . . . . 54 E H . 16499 1 264 . 1 1 55 55 GLU C C 13 177.098 . . 1 . . . . 54 E C . 16499 1 265 . 1 1 55 55 GLU CA C 13 56.616 . . 1 . . . . 54 E CA . 16499 1 266 . 1 1 55 55 GLU CB C 13 28.755 . . 1 . . . . 54 E CB . 16499 1 267 . 1 1 55 55 GLU N N 15 118.981 . . 1 . . . . 54 E N . 16499 1 268 . 1 1 56 56 MET H H 1 8.325 . . 1 . . . . 55 M H . 16499 1 269 . 1 1 56 56 MET C C 13 176.968 . . 1 . . . . 55 M C . 16499 1 270 . 1 1 56 56 MET CA C 13 56.518 . . 1 . . . . 55 M CA . 16499 1 271 . 1 1 56 56 MET CB C 13 32.777 . . 1 . . . . 55 M CB . 16499 1 272 . 1 1 56 56 MET N N 15 121.473 . . 1 . . . . 55 M N . 16499 1 273 . 1 1 57 57 LYS H H 1 8.258 . . 1 . . . . 56 K H . 16499 1 274 . 1 1 57 57 LYS C C 13 176.989 . . 1 . . . . 56 K C . 16499 1 275 . 1 1 57 57 LYS CA C 13 57.017 . . 1 . . . . 56 K CA . 16499 1 276 . 1 1 57 57 LYS CB C 13 32.872 . . 1 . . . . 56 K CB . 16499 1 277 . 1 1 57 57 LYS N N 15 122.087 . . 1 . . . . 56 K N . 16499 1 278 . 1 1 58 58 ALA H H 1 8.182 . . 1 . . . . 57 A H . 16499 1 279 . 1 1 58 58 ALA C C 13 178.482 . . 1 . . . . 57 A C . 16499 1 280 . 1 1 58 58 ALA CA C 13 53.28 . . 1 . . . . 57 A CA . 16499 1 281 . 1 1 58 58 ALA CB C 13 19.046 . . 1 . . . . 57 A CB . 16499 1 282 . 1 1 58 58 ALA N N 15 124.061 . . 1 . . . . 57 A N . 16499 1 283 . 1 1 59 59 SER H H 1 8.169 . . 1 . . . . 58 S H . 16499 1 284 . 1 1 59 59 SER C C 13 175.177 . . 1 . . . . 58 S C . 16499 1 285 . 1 1 59 59 SER CA C 13 59.081 . . 1 . . . . 58 S CA . 16499 1 286 . 1 1 59 59 SER CB C 13 63.611 . . 1 . . . . 58 S CB . 16499 1 287 . 1 1 59 59 SER N N 15 114.351 . . 1 . . . . 58 S N . 16499 1 288 . 1 1 60 60 GLU H H 1 8.213 . . 1 . . . . 59 E H . 16499 1 289 . 1 1 60 60 GLU C C 13 176.158 . . 1 . . . . 59 E C . 16499 1 290 . 1 1 60 60 GLU CA C 13 56.441 . . 1 . . . . 59 E CA . 16499 1 291 . 1 1 60 60 GLU CB C 13 28.785 . . 1 . . . . 59 E CB . 16499 1 292 . 1 1 60 60 GLU N N 15 121.686 . . 1 . . . . 59 E N . 16499 1 293 . 1 1 61 61 ASP H H 1 8.358 . . 1 . . . . 60 D H . 16499 1 294 . 1 1 61 61 ASP C C 13 175.472 . . 1 . . . . 60 D C . 16499 1 295 . 1 1 61 61 ASP CA C 13 53.543 . . 1 . . . . 60 D CA . 16499 1 296 . 1 1 61 61 ASP CB C 13 38.483 . . 1 . . . . 60 D CB . 16499 1 297 . 1 1 61 61 ASP N N 15 119.621 . . 1 . . . . 60 D N . 16499 1 298 . 1 1 62 62 LEU H H 1 8.093 . . 1 . . . . 61 L H . 16499 1 299 . 1 1 62 62 LEU C C 13 177.543 . . 1 . . . . 61 L C . 16499 1 300 . 1 1 62 62 LEU CA C 13 55.651 . . 1 . . . . 61 L CA . 16499 1 301 . 1 1 62 62 LEU CB C 13 42.28 . . 1 . . . . 61 L CB . 16499 1 302 . 1 1 62 62 LEU N N 15 122.547 . . 1 . . . . 61 L N . 16499 1 303 . 1 1 63 63 LYS H H 1 8.119 . . 1 . . . . 62 K H . 16499 1 304 . 1 1 63 63 LYS C C 13 176.66 . . 1 . . . . 62 K C . 16499 1 305 . 1 1 63 63 LYS CA C 13 56.391 . . 1 . . . . 62 K CA . 16499 1 306 . 1 1 63 63 LYS CB C 13 32.873 . . 1 . . . . 62 K CB . 16499 1 307 . 1 1 63 63 LYS N N 15 121.102 . . 1 . . . . 62 K N . 16499 1 308 . 1 1 64 64 LYS H H 1 8.157 . . 1 . . . . 63 K H . 16499 1 309 . 1 1 64 64 LYS C C 13 176.402 . . 1 . . . . 63 K C . 16499 1 310 . 1 1 64 64 LYS CA C 13 56.453 . . 1 . . . . 63 K CA . 16499 1 311 . 1 1 64 64 LYS CB C 13 33.102 . . 1 . . . . 63 K CB . 16499 1 312 . 1 1 64 64 LYS N N 15 121.731 . . 1 . . . . 63 K N . 16499 1 313 . 1 1 65 65 HIS H H 1 8.519 . . 1 . . . . 64 H H . 16499 1 314 . 1 1 65 65 HIS C C 13 174.743 . . 1 . . . . 64 H C . 16499 1 315 . 1 1 65 65 HIS CA C 13 55.353 . . 1 . . . . 64 H CA . 16499 1 316 . 1 1 65 65 HIS CB C 13 29.254 . . 1 . . . . 64 H CB . 16499 1 317 . 1 1 65 65 HIS N N 15 119.538 . . 1 . . . . 64 H N . 16499 1 318 . 1 1 66 66 GLY H H 1 8.458 . . 1 . . . . 65 G H . 16499 1 319 . 1 1 66 66 GLY C C 13 173.816 . . 1 . . . . 65 G C . 16499 1 320 . 1 1 66 66 GLY CA C 13 45.241 . . 1 . . . . 65 G CA . 16499 1 321 . 1 1 66 66 GLY N N 15 110.378 . . 1 . . . . 65 G N . 16499 1 322 . 1 1 67 67 VAL H H 1 8.11 . . 1 . . . . 66 V H . 16499 1 323 . 1 1 67 67 VAL C C 13 176.326 . . 1 . . . . 66 V C . 16499 1 324 . 1 1 67 67 VAL CA C 13 62.219 . . 1 . . . . 66 V CA . 16499 1 325 . 1 1 67 67 VAL CB C 13 33.091 . . 1 . . . . 66 V CB . 16499 1 326 . 1 1 67 67 VAL N N 15 119.456 . . 1 . . . . 66 V N . 16499 1 327 . 1 1 68 68 THR H H 1 8.359 . . 1 . . . . 67 T H . 16499 1 328 . 1 1 68 68 THR C C 13 174.221 . . 1 . . . . 67 T C . 16499 1 329 . 1 1 68 68 THR CA C 13 62.149 . . 1 . . . . 67 T CA . 16499 1 330 . 1 1 68 68 THR CB C 13 69.879 . . 1 . . . . 67 T CB . 16499 1 331 . 1 1 68 68 THR N N 15 119.648 . . 1 . . . . 67 T N . 16499 1 332 . 1 1 69 69 VAL H H 1 8.304 . . 1 . . . . 68 V H . 16499 1 333 . 1 1 69 69 VAL C C 13 175.775 . . 1 . . . . 68 V C . 16499 1 334 . 1 1 69 69 VAL CA C 13 62.249 . . 1 . . . . 68 V CA . 16499 1 335 . 1 1 69 69 VAL CB C 13 32.893 . . 1 . . . . 68 V CB . 16499 1 336 . 1 1 69 69 VAL N N 15 124.109 . . 1 . . . . 68 V N . 16499 1 337 . 1 1 70 70 LEU H H 1 8.4 . . 1 . . . . 69 L H . 16499 1 338 . 1 1 70 70 LEU C C 13 177.474 . . 1 . . . . 69 L C . 16499 1 339 . 1 1 70 70 LEU CA C 13 55.207 . . 1 . . . . 69 L CA . 16499 1 340 . 1 1 70 70 LEU CB C 13 42.507 . . 1 . . . . 69 L CB . 16499 1 341 . 1 1 70 70 LEU N N 15 126.33 . . 1 . . . . 69 L N . 16499 1 342 . 1 1 71 71 THR H H 1 8.093 . . 1 . . . . 70 T H . 16499 1 343 . 1 1 71 71 THR C C 13 174.343 . . 1 . . . . 70 T C . 16499 1 344 . 1 1 71 71 THR CA C 13 61.783 . . 1 . . . . 70 T CA . 16499 1 345 . 1 1 71 71 THR CB C 13 69.975 . . 1 . . . . 70 T CB . 16499 1 346 . 1 1 71 71 THR N N 15 115.115 . . 1 . . . . 70 T N . 16499 1 347 . 1 1 72 72 ALA H H 1 8.34 . . 1 . . . . 71 A H . 16499 1 348 . 1 1 72 72 ALA C C 13 177.729 . . 1 . . . . 71 A C . 16499 1 349 . 1 1 72 72 ALA CA C 13 52.698 . . 1 . . . . 71 A CA . 16499 1 350 . 1 1 72 72 ALA CB C 13 19.189 . . 1 . . . . 71 A CB . 16499 1 351 . 1 1 72 72 ALA N N 15 126.252 . . 1 . . . . 71 A N . 16499 1 352 . 1 1 73 73 LEU H H 1 8.178 . . 1 . . . . 72 L H . 16499 1 353 . 1 1 73 73 LEU C C 13 178.018 . . 1 . . . . 72 L C . 16499 1 354 . 1 1 73 73 LEU CA C 13 55.537 . . 1 . . . . 72 L CA . 16499 1 355 . 1 1 73 73 LEU CB C 13 42.314 . . 1 . . . . 72 L CB . 16499 1 356 . 1 1 73 73 LEU N N 15 121.132 . . 1 . . . . 72 L N . 16499 1 357 . 1 1 74 74 GLY H H 1 8.312 . . 1 . . . . 73 G H . 16499 1 358 . 1 1 74 74 GLY C C 13 173.777 . . 1 . . . . 73 G C . 16499 1 359 . 1 1 74 74 GLY CA C 13 45.346 . . 1 . . . . 73 G CA . 16499 1 360 . 1 1 74 74 GLY N N 15 109.255 . . 1 . . . . 73 G N . 16499 1 361 . 1 1 75 75 ALA H H 1 7.995 . . 1 . . . . 74 A H . 16499 1 362 . 1 1 75 75 ALA C C 13 177.5 . . 1 . . . . 74 A C . 16499 1 363 . 1 1 75 75 ALA CA C 13 52.386 . . 1 . . . . 74 A CA . 16499 1 364 . 1 1 75 75 ALA CB C 13 19.48 . . 1 . . . . 74 A CB . 16499 1 365 . 1 1 75 75 ALA N N 15 123.421 . . 1 . . . . 74 A N . 16499 1 366 . 1 1 76 76 ILE H H 1 8.091 . . 1 . . . . 75 I H . 16499 1 367 . 1 1 76 76 ILE C C 13 176.075 . . 1 . . . . 75 I C . 16499 1 368 . 1 1 76 76 ILE CA C 13 61.084 . . 1 . . . . 75 I CA . 16499 1 369 . 1 1 76 76 ILE CB C 13 38.68 . . 1 . . . . 75 I CB . 16499 1 370 . 1 1 76 76 ILE N N 15 120.157 . . 1 . . . . 75 I N . 16499 1 371 . 1 1 77 77 LEU H H 1 8.293 . . 1 . . . . 76 L H . 16499 1 372 . 1 1 77 77 LEU C C 13 176.772 . . 1 . . . . 76 L C . 16499 1 373 . 1 1 77 77 LEU CA C 13 54.969 . . 1 . . . . 76 L CA . 16499 1 374 . 1 1 77 77 LEU CB C 13 42.415 . . 1 . . . . 76 L CB . 16499 1 375 . 1 1 77 77 LEU N N 15 126.922 . . 1 . . . . 76 L N . 16499 1 376 . 1 1 78 78 LYS H H 1 8.307 . . 1 . . . . 77 K H . 16499 1 377 . 1 1 78 78 LYS CA C 13 55.606 . . 1 . . . . 77 K CA . 16499 1 378 . 1 1 78 78 LYS CB C 13 32.946 . . 1 . . . . 77 K CB . 16499 1 379 . 1 1 78 78 LYS N N 15 123.972 . . 1 . . . . 77 K N . 16499 1 stop_ save_