data_18968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18968 _Entry.Title ; Diffuse binding of Zn2+ to the denatured ensemble of Cu/Zn superoxide dismutase 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-22 _Entry.Accession_date 2013-01-22 _Entry.Last_release_date 2015-07-29 _Entry.Original_release_date 2015-07-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Scarlett Szpryngiel . . . 18968 2 Mikael Oliveberg . . . 18968 3 Lena Maler . . . 18968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 18968 '15N chemical shifts' 148 18968 '1H chemical shifts' 146 18968 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 . . 2015-07-29 . original BMRB . 18968 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 18968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Diffuse binding of Zn2+ to the denatured ensemble of Cu/Zn superoxide dismutase 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Scarlett Szpryngiel . . . 18968 1 2 Mikael Oliveberg . . . 18968 1 3 Lena Maler . . . 18968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18968 _Assembly.ID 1 _Assembly.Name 'Denatured SOD1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 SOD1 1 $SOD1 A . yes denatured no no . . . 18968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SOD1 _Entity.Sf_category entity _Entity.Sf_framecode SOD1 _Entity.Entry_ID 18968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SOD1 _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 ; ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHEEEDNTAGCTSA GPHFNPLSRKHGGPKDEERH VGDLGNVTADKDGVADVSIE DSVISLSGDHAIIGRTLVVH EKADDLGKGGNEESTKTGNA GSRLACGVIGIAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details SOD1 _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 15711 . SOD1 . . . . . 100.00 153 100.00 100.00 4.04e-103 . . . . 18968 1 2 no BMRB 15712 . SOD1 . . . . . 100.00 153 99.35 99.35 2.10e-102 . . . . 18968 1 3 no BMRB 15713 . SOD1 . . . . . 100.00 153 99.35 99.35 3.83e-102 . . . . 18968 1 4 no BMRB 15714 . SOD1 . . . . . 100.00 153 99.35 99.35 4.14e-102 . . . . 18968 1 5 no BMRB 18509 . Superoxide_dismutase_C6A-C111S_thermostable_mutant . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 6 no BMRB 18708 . SUPEROXIDE_DISMUTASE_CU-ZN . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 7 no BMRB 26570 . SOD1 . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 8 no BMRB 4202 . "Superoxide Dismutase" . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 18968 1 9 no PDB 1BA9 . "The Solution Structure Of Reduced Monomeric Superoxide Dismutase, Nmr, 36 Structures" . . . . . 99.35 153 98.68 100.00 1.22e-101 . . . . 18968 1 10 no PDB 1DSW . "The Solution Structure Of A Monomeric, Reduced Form Of Human Copper, Zinc Superoxide Dismutase Bearing The Same Charge As The N" . . . . . 99.35 153 98.03 98.68 5.17e-100 . . . . 18968 1 11 no PDB 1FUN . "Superoxide Dismutase Mutant With Lys 136 Replaced By Glu, Cys 6 Replaced By Ala And Cys 111 Replaced By Ser (K136e, C6a, C111s)" . . . . . 100.00 153 97.39 98.69 1.16e-99 . . . . 18968 1 12 no PDB 1HL4 . "The Structure Of Apo Type Human Cu, Zn Superoxide Dismutase" . . . . . 100.00 154 97.39 97.39 2.78e-99 . . . . 18968 1 13 no PDB 1HL5 . "The Structure Of Holo Type Human Cu, Zn Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 14 no PDB 1KMG . "The Solution Structure Of Monomeric Copper-Free Superoxide Dismutase" . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 18968 1 15 no PDB 1L3N . "The Solution Structure Of Reduced Dimeric Copper Zinc Sod: The Structural Effects Of Dimerization" . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 16 no PDB 1MFM . "Monomeric Human Sod Mutant F50eG51EE133Q AT ATOMIC Resolution" . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 18968 1 17 no PDB 1N18 . "Thermostable Mutant Of Human Superoxide Dismutase, C6a, C111s" . . . . . 100.00 154 98.04 98.69 1.85e-100 . . . . 18968 1 18 no PDB 1N19 . "Structure Of The Hsod A4v Mutant" . . . . . 100.00 154 97.39 98.04 1.01e-99 . . . . 18968 1 19 no PDB 1PTZ . "Crystal Structure Of The Human Cu, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (Fals) Mutant H43r" . . . . . 100.00 153 97.39 98.04 1.92e-99 . . . . 18968 1 20 no PDB 1PU0 . "Structure Of Human Cu,Zn Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 21 no PDB 1RK7 . "Solution Structure Of Apo Cu,Zn Superoxide Dismutase: Role Of Metal Ions In Protein Folding" . . . . . 100.00 153 98.69 100.00 2.56e-102 . . . . 18968 1 22 no PDB 1SOS . "Atomic Structures Of Wild-type And Thermostable Mutant Recombinant Human Cu, Zn Superoxide Dismutase" . . . . . 100.00 154 98.04 98.69 2.16e-100 . . . . 18968 1 23 no PDB 1SPD . "Amyotrophic Lateral Sclerosis And Structural Defects In Cu,Zn Superoxide Dismutase" . . . . . 100.00 154 97.39 97.39 2.78e-99 . . . . 18968 1 24 no PDB 2AF2 . "Solution Structure Of Disulfide Reduced And Copper Depleted Human Superoxide Dismutase" . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 25 no PDB 2C9S . "1.24 Angstroms Resolution Structure Of Zn-Zn Human Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 3.58e-99 . . . . 18968 1 26 no PDB 2C9U . "1.24 Angstroms Resolution Structure Of As-Isolated Cu-Zn Human Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 27 no PDB 2C9V . "Atomic Resolution Structure Of Cu-Zn Human Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 28 no PDB 2GBT . "C6aC111A CUZN SUPEROXIDE DISMUTASE" . . . . . 100.00 153 98.69 98.69 9.72e-101 . . . . 18968 1 29 no PDB 2GBU . "C6a/c111a/c57a/c146a Apo Cuzn Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 1.60e-98 . . . . 18968 1 30 no PDB 2GBV . "C6aC111AC57AC146A HOLO CUZN SUPEROXIDE DISMUTASE" . . . . . 100.00 153 97.39 97.39 1.60e-98 . . . . 18968 1 31 no PDB 2LU5 . "Structure And Chemical Shifts Of Cu(I),Zn(Ii) Superoxide Dismutase By Solid-State Nmr" . . . . . 100.00 153 98.04 98.69 2.09e-100 . . . . 18968 1 32 no PDB 2V0A . "Atomic Resolution Crystal Structure Of Human Superoxide Dismutase" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 33 no PDB 2XJK . "Monomeric Human Cu,Zn Superoxide Dismutase" . . . . . 100.00 153 100.00 100.00 4.04e-103 . . . . 18968 1 34 no PDB 2XJL . "Monomeric Human Cu,Zn Superoxide Dismutase Without Cu Ligands" . . . . . 100.00 153 98.04 98.04 2.84e-100 . . . . 18968 1 35 no PDB 3ECU . "Crystal Structure Of Human Apo Cu,Zn Superoxide Dismutase (Sod1)" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 36 no PDB 3HFF . "Monomeric Human Cu,Zn Superoxide Dismutase Without Zn Ligands" . . . . . 100.00 153 97.39 97.39 1.63e-99 . . . . 18968 1 37 no PDB 3KH3 . "Crystal Structure Of Human CuZN SUPEROXIDE DISMUTASE RECOMBINANTLY Produced In Leishmania Tarantolae; P212121 Crystal Form Cont" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 38 no PDB 3KH4 . "Crystal Structure Of Human CuZN SUPEROXIDE DISMUTASE RECOMBINANTLY Produced In Leishmania Tarantolae; P6522 Crystal Form Contai" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 39 no PDB 3RE0 . "Crystal Structure Of Human Apo Cu,zn Superoxide Dismutase (sod1) Complexed With Cisplatin" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 40 no PDB 3T5W . "2me Modified Human Sod1" . . . . . 100.00 153 97.39 97.39 3.58e-99 . . . . 18968 1 41 no PDB 4B3E . "Structure Of Copper-Zinc Superoxide Dismutase Complexed With Bicarbonate." . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 42 no PDB 4BCY . "Monomeric Human Cu,zn Superoxide Dismutase, Mutation H43f" . . . . . 100.00 153 99.35 99.35 5.04e-102 . . . . 18968 1 43 no PDB 4FF9 . "Crystal Structure Of Cysteinylated Wt Sod1" . . . . . 100.00 153 97.39 97.39 2.69e-99 . . . . 18968 1 44 no PDB 4OH2 . "Crystal Structure Of Cu/zn Superoxide Dismutase I149t" . . . . . 100.00 153 97.39 98.04 1.24e-99 . . . . 18968 1 45 no DBJ BAA14373 . "unnamed protein product [Schizosaccharomyces pombe]" . . . . . 98.69 179 97.35 97.35 1.60e-97 . . . . 18968 1 46 no DBJ BAC20345 . "Cu,Zn-superoxide dismutase [Pan troglodytes]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 47 no DBJ BAG35052 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 48 no DBJ BAG73767 . "superoxide dismutase 1, soluble [synthetic construct]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 49 no EMBL CAA26182 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 50 no EMBL CAG29351 . "SOD1 [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 51 no EMBL CAG46542 . "SOD1 [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 52 no GB AAA72747 . "CuZn superoxide dismutase [synthetic construct]" . . . . . 100.00 154 98.04 98.69 1.85e-100 . . . . 18968 1 53 no GB AAA80237 . "HSOD-GlyProGly-A+, partial [synthetic construct]" . . . . . 100.00 171 98.04 98.69 8.06e-100 . . . . 18968 1 54 no GB AAB05661 . "Cu/Zn-superoxide dismutase [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 55 no GB AAD42179 . "superoxide dismutase/HCV major epitope fusion protein [synthetic construct]" . . . . . 100.00 839 97.39 97.39 1.22e-93 . . . . 18968 1 56 no GB AAH01034 . "Superoxide dismutase 1, soluble [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 57 no REF NP_000445 . "superoxide dismutase [Cu-Zn] [Homo sapiens]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 58 no REF NP_001009025 . "superoxide dismutase [Cu-Zn] [Pan troglodytes]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 59 no REF XP_003813274 . "PREDICTED: superoxide dismutase [Cu-Zn] [Pan paniscus]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 60 no REF XP_008976454 . "PREDICTED: superoxide dismutase [Cu-Zn] [Pan paniscus]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 61 no SP P00441 . "RecName: Full=Superoxide dismutase [Cu-Zn]; AltName: Full=Superoxide dismutase 1; Short=hSod1" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 1 62 no SP P60052 . "RecName: Full=Superoxide dismutase [Cu-Zn]" . . . . . 100.00 154 97.39 97.39 2.07e-99 . . . . 18968 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 1 ALA . 18968 1 2 2 THR . 18968 1 3 3 LYS . 18968 1 4 4 ALA . 18968 1 5 5 VAL . 18968 1 6 6 ALA . 18968 1 7 7 VAL . 18968 1 8 8 LEU . 18968 1 9 9 LYS . 18968 1 10 10 GLY . 18968 1 11 11 ASP . 18968 1 12 12 GLY . 18968 1 13 13 PRO . 18968 1 14 14 VAL . 18968 1 15 15 GLN . 18968 1 16 16 GLY . 18968 1 17 17 ILE . 18968 1 18 18 ILE . 18968 1 19 19 ASN . 18968 1 20 20 PHE . 18968 1 21 21 GLU . 18968 1 22 22 GLN . 18968 1 23 23 LYS . 18968 1 24 24 GLU . 18968 1 25 25 SER . 18968 1 26 26 ASN . 18968 1 27 27 GLY . 18968 1 28 28 PRO . 18968 1 29 29 VAL . 18968 1 30 30 LYS . 18968 1 31 31 VAL . 18968 1 32 32 TRP . 18968 1 33 33 GLY . 18968 1 34 34 SER . 18968 1 35 35 ILE . 18968 1 36 36 LYS . 18968 1 37 37 GLY . 18968 1 38 38 LEU . 18968 1 39 39 THR . 18968 1 40 40 GLU . 18968 1 41 41 GLY . 18968 1 42 42 LEU . 18968 1 43 43 HIS . 18968 1 44 44 GLY . 18968 1 45 45 PHE . 18968 1 46 46 HIS . 18968 1 47 47 VAL . 18968 1 48 48 HIS . 18968 1 49 49 GLU . 18968 1 50 50 GLU . 18968 1 51 51 GLU . 18968 1 52 52 ASP . 18968 1 53 53 ASN . 18968 1 54 54 THR . 18968 1 55 55 ALA . 18968 1 56 56 GLY . 18968 1 57 57 CYS . 18968 1 58 58 THR . 18968 1 59 59 SER . 18968 1 60 60 ALA . 18968 1 61 61 GLY . 18968 1 62 62 PRO . 18968 1 63 63 HIS . 18968 1 64 64 PHE . 18968 1 65 65 ASN . 18968 1 66 66 PRO . 18968 1 67 67 LEU . 18968 1 68 68 SER . 18968 1 69 69 ARG . 18968 1 70 70 LYS . 18968 1 71 71 HIS . 18968 1 72 72 GLY . 18968 1 73 73 GLY . 18968 1 74 74 PRO . 18968 1 75 75 LYS . 18968 1 76 76 ASP . 18968 1 77 77 GLU . 18968 1 78 78 GLU . 18968 1 79 79 ARG . 18968 1 80 80 HIS . 18968 1 81 81 VAL . 18968 1 82 82 GLY . 18968 1 83 83 ASP . 18968 1 84 84 LEU . 18968 1 85 85 GLY . 18968 1 86 86 ASN . 18968 1 87 87 VAL . 18968 1 88 88 THR . 18968 1 89 89 ALA . 18968 1 90 90 ASP . 18968 1 91 91 LYS . 18968 1 92 92 ASP . 18968 1 93 93 GLY . 18968 1 94 94 VAL . 18968 1 95 95 ALA . 18968 1 96 96 ASP . 18968 1 97 97 VAL . 18968 1 98 98 SER . 18968 1 99 99 ILE . 18968 1 100 100 GLU . 18968 1 101 101 ASP . 18968 1 102 102 SER . 18968 1 103 103 VAL . 18968 1 104 104 ILE . 18968 1 105 105 SER . 18968 1 106 106 LEU . 18968 1 107 107 SER . 18968 1 108 108 GLY . 18968 1 109 109 ASP . 18968 1 110 110 HIS . 18968 1 111 111 ALA . 18968 1 112 112 ILE . 18968 1 113 113 ILE . 18968 1 114 114 GLY . 18968 1 115 115 ARG . 18968 1 116 116 THR . 18968 1 117 117 LEU . 18968 1 118 118 VAL . 18968 1 119 119 VAL . 18968 1 120 120 HIS . 18968 1 121 121 GLU . 18968 1 122 122 LYS . 18968 1 123 123 ALA . 18968 1 124 124 ASP . 18968 1 125 125 ASP . 18968 1 126 126 LEU . 18968 1 127 127 GLY . 18968 1 128 128 LYS . 18968 1 129 129 GLY . 18968 1 130 130 GLY . 18968 1 131 131 ASN . 18968 1 132 132 GLU . 18968 1 133 133 GLU . 18968 1 134 134 SER . 18968 1 135 135 THR . 18968 1 136 136 LYS . 18968 1 137 137 THR . 18968 1 138 138 GLY . 18968 1 139 139 ASN . 18968 1 140 140 ALA . 18968 1 141 141 GLY . 18968 1 142 142 SER . 18968 1 143 143 ARG . 18968 1 144 144 LEU . 18968 1 145 145 ALA . 18968 1 146 146 CYS . 18968 1 147 147 GLY . 18968 1 148 148 VAL . 18968 1 149 149 ILE . 18968 1 150 150 GLY . 18968 1 151 151 ILE . 18968 1 152 152 ALA . 18968 1 153 153 GLN . 18968 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 . ALA 1 1 18968 1 . THR 2 2 18968 1 . LYS 3 3 18968 1 . ALA 4 4 18968 1 . VAL 5 5 18968 1 . ALA 6 6 18968 1 . VAL 7 7 18968 1 . LEU 8 8 18968 1 . LYS 9 9 18968 1 . GLY 10 10 18968 1 . ASP 11 11 18968 1 . GLY 12 12 18968 1 . PRO 13 13 18968 1 . VAL 14 14 18968 1 . GLN 15 15 18968 1 . GLY 16 16 18968 1 . ILE 17 17 18968 1 . ILE 18 18 18968 1 . ASN 19 19 18968 1 . PHE 20 20 18968 1 . GLU 21 21 18968 1 . GLN 22 22 18968 1 . LYS 23 23 18968 1 . GLU 24 24 18968 1 . SER 25 25 18968 1 . ASN 26 26 18968 1 . GLY 27 27 18968 1 . PRO 28 28 18968 1 . VAL 29 29 18968 1 . LYS 30 30 18968 1 . VAL 31 31 18968 1 . TRP 32 32 18968 1 . GLY 33 33 18968 1 . SER 34 34 18968 1 . ILE 35 35 18968 1 . LYS 36 36 18968 1 . GLY 37 37 18968 1 . LEU 38 38 18968 1 . THR 39 39 18968 1 . GLU 40 40 18968 1 . GLY 41 41 18968 1 . LEU 42 42 18968 1 . HIS 43 43 18968 1 . GLY 44 44 18968 1 . PHE 45 45 18968 1 . HIS 46 46 18968 1 . VAL 47 47 18968 1 . HIS 48 48 18968 1 . GLU 49 49 18968 1 . GLU 50 50 18968 1 . GLU 51 51 18968 1 . ASP 52 52 18968 1 . ASN 53 53 18968 1 . THR 54 54 18968 1 . ALA 55 55 18968 1 . GLY 56 56 18968 1 . CYS 57 57 18968 1 . THR 58 58 18968 1 . SER 59 59 18968 1 . ALA 60 60 18968 1 . GLY 61 61 18968 1 . PRO 62 62 18968 1 . HIS 63 63 18968 1 . PHE 64 64 18968 1 . ASN 65 65 18968 1 . PRO 66 66 18968 1 . LEU 67 67 18968 1 . SER 68 68 18968 1 . ARG 69 69 18968 1 . LYS 70 70 18968 1 . HIS 71 71 18968 1 . GLY 72 72 18968 1 . GLY 73 73 18968 1 . PRO 74 74 18968 1 . LYS 75 75 18968 1 . ASP 76 76 18968 1 . GLU 77 77 18968 1 . GLU 78 78 18968 1 . ARG 79 79 18968 1 . HIS 80 80 18968 1 . VAL 81 81 18968 1 . GLY 82 82 18968 1 . ASP 83 83 18968 1 . LEU 84 84 18968 1 . GLY 85 85 18968 1 . ASN 86 86 18968 1 . VAL 87 87 18968 1 . THR 88 88 18968 1 . ALA 89 89 18968 1 . ASP 90 90 18968 1 . LYS 91 91 18968 1 . ASP 92 92 18968 1 . GLY 93 93 18968 1 . VAL 94 94 18968 1 . ALA 95 95 18968 1 . ASP 96 96 18968 1 . VAL 97 97 18968 1 . SER 98 98 18968 1 . ILE 99 99 18968 1 . GLU 100 100 18968 1 . ASP 101 101 18968 1 . SER 102 102 18968 1 . VAL 103 103 18968 1 . ILE 104 104 18968 1 . SER 105 105 18968 1 . LEU 106 106 18968 1 . SER 107 107 18968 1 . GLY 108 108 18968 1 . ASP 109 109 18968 1 . HIS 110 110 18968 1 . ALA 111 111 18968 1 . ILE 112 112 18968 1 . ILE 113 113 18968 1 . GLY 114 114 18968 1 . ARG 115 115 18968 1 . THR 116 116 18968 1 . LEU 117 117 18968 1 . VAL 118 118 18968 1 . VAL 119 119 18968 1 . HIS 120 120 18968 1 . GLU 121 121 18968 1 . LYS 122 122 18968 1 . ALA 123 123 18968 1 . ASP 124 124 18968 1 . ASP 125 125 18968 1 . LEU 126 126 18968 1 . GLY 127 127 18968 1 . LYS 128 128 18968 1 . GLY 129 129 18968 1 . GLY 130 130 18968 1 . ASN 131 131 18968 1 . GLU 132 132 18968 1 . GLU 133 133 18968 1 . SER 134 134 18968 1 . THR 135 135 18968 1 . LYS 136 136 18968 1 . THR 137 137 18968 1 . GLY 138 138 18968 1 . ASN 139 139 18968 1 . ALA 140 140 18968 1 . GLY 141 141 18968 1 . SER 142 142 18968 1 . ARG 143 143 18968 1 . LEU 144 144 18968 1 . ALA 145 145 18968 1 . CYS 146 146 18968 1 . GLY 147 147 18968 1 . VAL 148 148 18968 1 . ILE 149 149 18968 1 . GLY 150 150 18968 1 . ILE 151 151 18968 1 . ALA 152 152 18968 1 . GLN 153 153 18968 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 18968 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SOD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18968 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 18968 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SOD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pSOD1 . . . 18968 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18968 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/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 SOD1 '[U-100% 13C; U-100% 15N]' . . 1 $SOD1 . . 0.2-0.5 . . mM . . . . 18968 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 18968 1 3 urea 'natural abundance' . . . . . . 9 . . M . . . . 18968 1 4 bis-Tris 'natural abundance' . . . . . . 10 . . mM . . . . 18968 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18968 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 18968 _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 'ionic strength' 10 . mM 18968 1 pH 6.3 . pH 18968 1 pressure 1 . atm 18968 1 temperature 298 . K 18968 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18968 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18968 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18968 1 processing 18968 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18968 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18968 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18968 2 'data analysis' 18968 2 'peak picking' 18968 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 18968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18968 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18968 _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 . 700 . . . 18968 1 2 spectrometer_2 Bruker Avance . 600 . . . 18968 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 18968 _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 . . . . . . . . . . . . . . . . . . . . . 18968 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 7 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18968 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 18968 _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 water protons . . . . ppm 4.70 external indirect 0.251449530 . . . . . . . . . 18968 1 H 1 water protons . . . . ppm 4.70 external indirect 1 . . . . . . . . . 18968 1 N 15 water protons . . . . ppm 4.70 external indirect 0.101329118 . . . . . . . . . 18968 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 18968 _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' . . . 18968 1 2 '3D HNCO' . . . 18968 1 3 '3D HNCA' . . . 18968 1 4 '3D HNCACB' . . . 18968 1 5 '3D HN(CO)CA' . . . 18968 1 6 '3D HCACO' . . . 18968 1 7 '3D CANCO' . . . 18968 1 8 '3D 1H-15N NOESY' . . . 18968 1 9 '3D 1H-15N TOCSY' . . . 18968 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 2 2 THR C C 13 174.256 0 . 1 . . . . 2 THR C . 18968 1 2 . 1 1 3 3 LYS H H 1 8.569 0.004 . 1 . . . . 3 LYS HN . 18968 1 3 . 1 1 3 3 LYS C C 13 176.042 0.004 . 1 . . . . 3 LYS C . 18968 1 4 . 1 1 3 3 LYS CA C 13 55.919 0 . 1 . . . . 3 LYS CA . 18968 1 5 . 1 1 3 3 LYS N N 15 124.352 0.087 . 1 . . . . 3 LYS N . 18968 1 6 . 1 1 4 4 ALA H H 1 8.496 0.003 . 1 . . . . 4 ALA HN . 18968 1 7 . 1 1 4 4 ALA C C 13 177.532 0.026 . 1 . . . . 4 ALA C . 18968 1 8 . 1 1 4 4 ALA CA C 13 52.461 0.022 . 1 . . . . 4 ALA CA . 18968 1 9 . 1 1 4 4 ALA N N 15 126.191 0.088 . 1 . . . . 4 ALA N . 18968 1 10 . 1 1 5 5 VAL H H 1 8.215 0.014 . 1 . . . . 5 VAL HN . 18968 1 11 . 1 1 5 5 VAL C C 13 175.769 0.005 . 1 . . . . 5 VAL C . 18968 1 12 . 1 1 5 5 VAL CA C 13 62.162 0.025 . 1 . . . . 5 VAL CA . 18968 1 13 . 1 1 5 5 VAL N N 15 119.765 0.07 . 1 . . . . 5 VAL N . 18968 1 14 . 1 1 6 6 ALA H H 1 8.429 0.007 . 1 . . . . 6 ALA HN . 18968 1 15 . 1 1 6 6 ALA C C 13 177.249 0.017 . 1 . . . . 6 ALA C . 18968 1 16 . 1 1 6 6 ALA CA C 13 52.385 0.014 . 1 . . . . 6 ALA CA . 18968 1 17 . 1 1 6 6 ALA N N 15 127.865 0.016 . 1 . . . . 6 ALA N . 18968 1 18 . 1 1 7 7 VAL H H 1 8.234 0.012 . 1 . . . . 7 VAL HN . 18968 1 19 . 1 1 7 7 VAL C C 13 175.986 0.007 . 1 . . . . 7 VAL C . 18968 1 20 . 1 1 7 7 VAL CA C 13 62.332 0.029 . 1 . . . . 7 VAL CA . 18968 1 21 . 1 1 7 7 VAL N N 15 120.415 0.024 . 1 . . . . 7 VAL N . 18968 1 22 . 1 1 8 8 LEU H H 1 8.492 0.011 . 1 . . . . 8 LEU HN . 18968 1 23 . 1 1 8 8 LEU C C 13 177.082 0.006 . 1 . . . . 8 LEU C . 18968 1 24 . 1 1 8 8 LEU CA C 13 54.87 0.031 . 1 . . . . 8 LEU CA . 18968 1 25 . 1 1 8 8 LEU N N 15 126.879 0.035 . 1 . . . . 8 LEU N . 18968 1 26 . 1 1 9 9 LYS H H 1 8.594 0.009 . 1 . . . . 9 LYS HN . 18968 1 27 . 1 1 9 9 LYS C C 13 176.944 0.003 . 1 . . . . 9 LYS C . 18968 1 28 . 1 1 9 9 LYS CA C 13 56.686 0.026 . 1 . . . . 9 LYS CA . 18968 1 29 . 1 1 9 9 LYS N N 15 123.072 0.044 . 1 . . . . 9 LYS N . 18968 1 30 . 1 1 10 10 GLY H H 1 8.501 0.006 . 1 . . . . 10 GLY HN . 18968 1 31 . 1 1 10 10 GLY C C 13 173.593 0.016 . 1 . . . . 10 GLY C . 18968 1 32 . 1 1 10 10 GLY CA C 13 45.257 0.027 . 1 . . . . 10 GLY CA . 18968 1 33 . 1 1 10 10 GLY N N 15 110.319 0.022 . 1 . . . . 10 GLY N . 18968 1 34 . 1 1 11 11 ASP H H 1 8.379 0.003 . 1 . . . . 11 ASN HN . 18968 1 35 . 1 1 11 11 ASP C C 13 176.463 0.006 . 1 . . . . 11 ASN C . 18968 1 36 . 1 1 11 11 ASP CA C 13 54.357 0.007 . 1 . . . . 11 ASN CA . 18968 1 37 . 1 1 11 11 ASP N N 15 120.311 0.065 . 1 . . . . 11 ASN N . 18968 1 38 . 1 1 12 12 GLY H H 1 8.287 0.002 . 1 . . . . 12 GLY HN . 18968 1 39 . 1 1 12 12 GLY C C 13 171.517 0 . 1 . . . . 12 GLY C . 18968 1 40 . 1 1 12 12 GLY CA C 13 44.724 0 . 1 . . . . 12 GLY CA . 18968 1 41 . 1 1 12 12 GLY N N 15 108.632 0.022 . 1 . . . . 12 GLY N . 18968 1 42 . 1 1 13 13 PRO C C 13 177.175 0 . 1 . . . . 13 PRO C . 18968 1 43 . 1 1 13 13 PRO CA C 13 63.138 0.014 . 1 . . . . 13 PRO CA . 18968 1 44 . 1 1 14 14 VAL H H 1 8.398 0.007 . 1 . . . . 14 VAL HN . 18968 1 45 . 1 1 14 14 VAL C C 13 176.278 0.001 . 1 . . . . 14 VAL C . 18968 1 46 . 1 1 14 14 VAL CA C 13 62.672 0.026 . 1 . . . . 14 VAL CA . 18968 1 47 . 1 1 14 14 VAL N N 15 120.763 0.019 . 1 . . . . 14 VAL N . 18968 1 48 . 1 1 15 15 GLN H H 1 8.59 0.006 . 1 . . . . 15 GLN HN . 18968 1 49 . 1 1 15 15 GLN C C 13 176.233 0.009 . 1 . . . . 15 GLN C . 18968 1 50 . 1 1 15 15 GLN CA C 13 55.904 0.008 . 1 . . . . 15 GLN CA . 18968 1 51 . 1 1 15 15 GLN N N 15 124.343 0.032 . 1 . . . . 15 GLN N . 18968 1 52 . 1 1 16 16 GLY H H 1 8.476 0.004 . 1 . . . . 16 GLY HN . 18968 1 53 . 1 1 16 16 GLY C C 13 173.542 0.009 . 1 . . . . 16 GLY C . 18968 1 54 . 1 1 16 16 GLY CA C 13 45.232 0.019 . 1 . . . . 16 GLY CA . 18968 1 55 . 1 1 16 16 GLY N N 15 110.312 0.03 . 1 . . . . 16 GLY N . 18968 1 56 . 1 1 17 17 ILE H H 1 8.121 0.003 . 1 . . . . 17 ILE HN . 18968 1 57 . 1 1 17 17 ILE C C 13 176.109 0.009 . 1 . . . . 17 ILE C . 18968 1 58 . 1 1 17 17 ILE CA C 13 61.084 0.044 . 1 . . . . 17 ILE CA . 18968 1 59 . 1 1 17 17 ILE N N 15 120.379 0.031 . 1 . . . . 17 ILE N . 18968 1 60 . 1 1 18 18 ILE H H 1 8.389 0.005 . 1 . . . . 18 ILE HN . 18968 1 61 . 1 1 18 18 ILE C C 13 175.457 0.012 . 1 . . . . 18 ILE C . 18968 1 62 . 1 1 18 18 ILE CA C 13 60.926 0.035 . 1 . . . . 18 ILE CA . 18968 1 63 . 1 1 18 18 ILE N N 15 125.469 0.03 . 1 . . . . 18 ILE N . 18968 1 64 . 1 1 19 19 ASN H H 1 8.551 0.006 . 1 . . . . 19 ASN HN . 18968 1 65 . 1 1 19 19 ASN C C 13 174.815 0.017 . 1 . . . . 19 ASN C . 18968 1 66 . 1 1 19 19 ASN CA C 13 52.922 0.019 . 1 . . . . 19 ASN CA . 18968 1 67 . 1 1 19 19 ASN N N 15 123.41 0.032 . 1 . . . . 19 ASN N . 18968 1 68 . 1 1 20 20 PHE H H 1 8.406 0.005 . 1 . . . . 20 PHE HN . 18968 1 69 . 1 1 20 20 PHE C C 13 175.597 0.001 . 1 . . . . 20 PHE C . 18968 1 70 . 1 1 20 20 PHE CA C 13 58.173 0.034 . 1 . . . . 20 PHE CA . 18968 1 71 . 1 1 20 20 PHE N N 15 121.861 0.033 . 1 . . . . 20 PHE N . 18968 1 72 . 1 1 21 21 GLU H H 1 8.502 0.003 . 1 . . . . 21 GLU HN . 18968 1 73 . 1 1 21 21 GLU C C 13 176.136 0 . 1 . . . . 21 GLU C . 18968 1 74 . 1 1 21 21 GLU CA C 13 56.649 0.019 . 1 . . . . 21 GLU CA . 18968 1 75 . 1 1 21 21 GLU N N 15 122.256 0.037 . 1 . . . . 21 GLU N . 18968 1 76 . 1 1 22 22 GLN H H 1 8.452 0.006 . 1 . . . . 22 GLN HN . 18968 1 77 . 1 1 22 22 GLN C C 13 175.882 0.007 . 1 . . . . 22 GLN C . 18968 1 78 . 1 1 22 22 GLN CA C 13 55.857 0.023 . 1 . . . . 22 GLN CA . 18968 1 79 . 1 1 22 22 GLN N N 15 122.097 0.048 . 1 . . . . 22 GLN N . 18968 1 80 . 1 1 23 23 LYS H H 1 8.527 0.006 . 1 . . . . 23 LYS HN . 18968 1 81 . 1 1 23 23 LYS C C 13 176.583 0 . 1 . . . . 23 LYS C . 18968 1 82 . 1 1 23 23 LYS CA C 13 56.533 0.035 . 1 . . . . 23 LYS CA . 18968 1 83 . 1 1 23 23 LYS N N 15 123.392 0.043 . 1 . . . . 23 LYS N . 18968 1 84 . 1 1 24 24 GLU H H 1 8.676 0.003 . 1 . . . . 24 GLU HN . 18968 1 85 . 1 1 24 24 GLU C C 13 176.577 0.013 . 1 . . . . 24 GLU C . 18968 1 86 . 1 1 24 24 GLU CA C 13 56.662 0.03 . 1 . . . . 24 GLU CA . 18968 1 87 . 1 1 24 24 GLU N N 15 122.147 0.033 . 1 . . . . 24 GLU N . 18968 1 88 . 1 1 25 25 SER H H 1 8.508 0.007 . 1 . . . . 25 SER HN . 18968 1 89 . 1 1 25 25 SER C C 13 174.37 0.002 . 1 . . . . 25 SER C . 18968 1 90 . 1 1 25 25 SER CA C 13 58.398 0.014 . 1 . . . . 25 SER CA . 18968 1 91 . 1 1 25 25 SER N N 15 116.879 0.015 . 1 . . . . 25 SER N . 18968 1 92 . 1 1 26 26 ASN H H 1 8.605 0.008 . 1 . . . . 26 ASN HN . 18968 1 93 . 1 1 26 26 ASN C C 13 175.29 0 . 1 . . . . 26 ASN C . 18968 1 94 . 1 1 26 26 ASN CA C 13 53.227 0.053 . 1 . . . . 26 ASN CA . 18968 1 95 . 1 1 26 26 ASN N N 15 120.979 0.06 . 1 . . . . 26 ASN N . 18968 1 96 . 1 1 27 27 GLY H H 1 8.268 0.003 . 1 . . . . 27 GLY HN . 18968 1 97 . 1 1 27 27 GLY C C 13 171.384 0 . 1 . . . . 27 GLY C . 18968 1 98 . 1 1 27 27 GLY CA C 13 44.698 0.036 . 1 . . . . 27 GLY CA . 18968 1 99 . 1 1 27 27 GLY N N 15 108.755 0.04 . 1 . . . . 27 GLY N . 18968 1 100 . 1 1 28 28 PRO C C 13 177 0 . 1 . . . . 28 PRO C . 18968 1 101 . 1 1 28 28 PRO CA C 13 63.103 0.01 . 1 . . . . 28 PRO CA . 18968 1 102 . 1 1 29 29 VAL H H 1 8.341 0.004 . 1 . . . . 29 VAL HN . 18968 1 103 . 1 1 29 29 VAL C C 13 176.123 0 . 1 . . . . 29 VAL C . 18968 1 104 . 1 1 29 29 VAL CA C 13 62.562 0.027 . 1 . . . . 29 VAL CA . 18968 1 105 . 1 1 29 29 VAL N N 15 120.858 0.045 . 1 . . . . 29 VAL N . 18968 1 106 . 1 1 30 30 LYS H H 1 8.504 0.007 . 1 . . . . 30 LYS HN . 18968 1 107 . 1 1 30 30 LYS C C 13 175.963 0 . 1 . . . . 30 LYS C . 18968 1 108 . 1 1 30 30 LYS CA C 13 56.209 0.045 . 1 . . . . 30 LYS CA . 18968 1 109 . 1 1 30 30 LYS N N 15 126.189 0.062 . 1 . . . . 30 LYS N . 18968 1 110 . 1 1 31 31 VAL H H 1 8.251 0.004 . 1 . . . . 31 VAL HN . 18968 1 111 . 1 1 31 31 VAL C C 13 175.824 0.014 . 1 . . . . 31 VAL C . 18968 1 112 . 1 1 31 31 VAL CA C 13 62.029 0.032 . 1 . . . . 31 VAL CA . 18968 1 113 . 1 1 31 31 VAL N N 15 122.117 0.012 . 1 . . . . 31 VAL N . 18968 1 114 . 1 1 32 32 TRP H H 1 8.51 0.007 . 1 . . . . 32 TRP HN . 18968 1 115 . 1 1 32 32 TRP C C 13 176.575 0.006 . 1 . . . . 32 TRP C . 18968 1 116 . 1 1 32 32 TRP CA C 13 57.309 0.036 . 1 . . . . 32 TRP CA . 18968 1 117 . 1 1 32 32 TRP N N 15 125.83 0.041 . 1 . . . . 32 TRP N . 18968 1 118 . 1 1 33 33 GLY H H 1 8.423 0.004 . 1 . . . . 33 GLY HN . 18968 1 119 . 1 1 33 33 GLY C C 13 173.774 0.006 . 1 . . . . 33 GLY C . 18968 1 120 . 1 1 33 33 GLY CA C 13 45.271 0.05 . 1 . . . . 33 GLY CA . 18968 1 121 . 1 1 33 33 GLY N N 15 110.59 0.028 . 1 . . . . 33 GLY N . 18968 1 122 . 1 1 34 34 SER H H 1 8.29 0.005 . 1 . . . . 34 SER HN . 18968 1 123 . 1 1 34 34 SER C C 13 174.695 0.006 . 1 . . . . 34 SER C . 18968 1 124 . 1 1 34 34 SER CA C 13 58.261 0.019 . 1 . . . . 34 SER CA . 18968 1 125 . 1 1 34 34 SER N N 15 115.565 0.03 . 1 . . . . 34 SER N . 18968 1 126 . 1 1 35 35 ILE H H 1 8.384 0.007 . 1 . . . . 35 ILE HN . 18968 1 127 . 1 1 35 35 ILE C C 13 176.231 0 . 1 . . . . 35 ILE C . 18968 1 128 . 1 1 35 35 ILE CA C 13 61.308 0.012 . 1 . . . . 35 ILE CA . 18968 1 129 . 1 1 35 35 ILE N N 15 122.892 0.03 . 1 . . . . 35 ILE N . 18968 1 130 . 1 1 36 36 LYS H H 1 8.528 0.005 . 1 . . . . 36 LYS HN . 18968 1 131 . 1 1 36 36 LYS C C 13 176.966 0 . 1 . . . . 36 LYS C . 18968 1 132 . 1 1 36 36 LYS CA C 13 56.571 0.021 . 1 . . . . 36 LYS CA . 18968 1 133 . 1 1 36 36 LYS N N 15 125.889 0.021 . 1 . . . . 36 LYS N . 18968 1 134 . 1 1 37 37 GLY H H 1 8.499 0.011 . 1 . . . . 37 GLY HN . 18968 1 135 . 1 1 37 37 GLY C C 13 173.94 0.003 . 1 . . . . 37 GLY C . 18968 1 136 . 1 1 37 37 GLY CA C 13 45.267 0.049 . 1 . . . . 37 GLY CA . 18968 1 137 . 1 1 37 37 GLY N N 15 110.336 0.024 . 1 . . . . 37 GLY N . 18968 1 138 . 1 1 38 38 LEU H H 1 8.225 0.003 . 1 . . . . 38 LEU HN . 18968 1 139 . 1 1 38 38 LEU C C 13 177.748 0.016 . 1 . . . . 38 LEU C . 18968 1 140 . 1 1 38 38 LEU CA C 13 55.483 0.015 . 1 . . . . 38 LEU CA . 18968 1 141 . 1 1 38 38 LEU N N 15 121.694 0.023 . 1 . . . . 38 LEU N . 18968 1 142 . 1 1 39 39 THR H H 1 8.351 0.003 . 1 . . . . 39 THR HN . 18968 1 143 . 1 1 39 39 THR C C 13 174.606 0 . 1 . . . . 39 THR C . 18968 1 144 . 1 1 39 39 THR CA C 13 61.961 0.02 . 1 . . . . 39 THR CA . 18968 1 145 . 1 1 39 39 THR N N 15 114.374 0.036 . 1 . . . . 39 THR N . 18968 1 146 . 1 1 40 40 GLU H H 1 8.508 0.005 . 1 . . . . 40 GLU HN . 18968 1 147 . 1 1 40 40 GLU C C 13 176.764 0.018 . 1 . . . . 40 GLU C . 18968 1 148 . 1 1 40 40 GLU CA C 13 56.893 0.018 . 1 . . . . 40 GLU CA . 18968 1 149 . 1 1 40 40 GLU N N 15 123.371 0.023 . 1 . . . . 40 GLU N . 18968 1 150 . 1 1 41 41 GLY H H 1 8.466 0.003 . 1 . . . . 41 GLY HN . 18968 1 151 . 1 1 41 41 GLY C C 13 173.902 0.003 . 1 . . . . 41 GLY C . 18968 1 152 . 1 1 41 41 GLY CA C 13 45.273 0.034 . 1 . . . . 41 GLY CA . 18968 1 153 . 1 1 41 41 GLY N N 15 109.759 0.033 . 1 . . . . 41 GLY N . 18968 1 154 . 1 1 42 42 LEU H H 1 8.163 0.003 . 1 . . . . 42 LEU HN . 18968 1 155 . 1 1 42 42 LEU C C 13 177.315 0.019 . 1 . . . . 42 LEU C . 18968 1 156 . 1 1 42 42 LEU CA C 13 55.259 0.029 . 1 . . . . 42 LEU CA . 18968 1 157 . 1 1 42 42 LEU N N 15 121.385 0.02 . 1 . . . . 42 LEU N . 18968 1 158 . 1 1 43 43 HIS H H 1 8.585 0.012 . 1 . . . . 43 HIS HN . 18968 1 159 . 1 1 43 43 HIS C C 13 175.478 0.037 . 1 . . . . 43 HIS C . 18968 1 160 . 1 1 43 43 HIS CA C 13 55.914 0.038 . 1 . . . . 43 HIS CA . 18968 1 161 . 1 1 43 43 HIS N N 15 119.738 0.025 . 1 . . . . 43 HIS N . 18968 1 162 . 1 1 44 44 GLY H H 1 8.415 0.007 . 1 . . . . 44 GLY HN . 18968 1 163 . 1 1 44 44 GLY C C 13 173.468 0.001 . 1 . . . . 44 GLY C . 18968 1 164 . 1 1 44 44 GLY CA C 13 45.236 0.025 . 1 . . . . 44 GLY CA . 18968 1 165 . 1 1 44 44 GLY N N 15 109.69 0.038 . 1 . . . . 44 GLY N . 18968 1 166 . 1 1 45 45 PHE H H 1 8.285 0.003 . 1 . . . . 45 PHE HN . 18968 1 167 . 1 1 45 45 PHE C C 13 175.37 0.002 . 1 . . . . 45 PHE C . 18968 1 168 . 1 1 45 45 PHE CA C 13 57.79 0.026 . 1 . . . . 45 PHE CA . 18968 1 169 . 1 1 45 45 PHE N N 15 120.18 0.041 . 1 . . . . 45 PHE N . 18968 1 170 . 1 1 46 46 HIS H H 1 8.562 0.007 . 1 . . . . 46 HIS HN . 18968 1 171 . 1 1 46 46 HIS C C 13 174.458 0 . 1 . . . . 46 HIS C . 18968 1 172 . 1 1 46 46 HIS CA C 13 55.698 0.035 . 1 . . . . 46 HIS CA . 18968 1 173 . 1 1 46 46 HIS N N 15 121.797 0.046 . 1 . . . . 46 HIS N . 18968 1 174 . 1 1 47 47 VAL H H 1 8.279 0.005 . 1 . . . . 47 VAL HN . 18968 1 175 . 1 1 47 47 VAL C C 13 175.724 0.008 . 1 . . . . 47 VAL C . 18968 1 176 . 1 1 47 47 VAL CA C 13 62.366 0.016 . 1 . . . . 47 VAL CA . 18968 1 177 . 1 1 47 47 VAL N N 15 122.318 0.016 . 1 . . . . 47 VAL N . 18968 1 178 . 1 1 48 48 HIS H H 1 8.701 0.008 . 1 . . . . 48 HIS HN . 18968 1 179 . 1 1 48 48 HIS C C 13 174.755 0.028 . 1 . . . . 48 HIS C . 18968 1 180 . 1 1 48 48 HIS CA C 13 55.992 0.025 . 1 . . . . 48 HIS CA . 18968 1 181 . 1 1 48 48 HIS N N 15 123.251 0.049 . 1 . . . . 48 HIS N . 18968 1 182 . 1 1 49 49 GLU H H 1 8.667 0.006 . 1 . . . . 49 GLU HN . 18968 1 183 . 1 1 49 49 GLU C C 13 176.252 0.012 . 1 . . . . 49 GLU C . 18968 1 184 . 1 1 49 49 GLU CA C 13 56.775 0.026 . 1 . . . . 49 GLU CA . 18968 1 185 . 1 1 49 49 GLU N N 15 123.634 0.04 . 1 . . . . 49 GLU N . 18968 1 186 . 1 1 50 50 GLU H H 1 8.677 0.003 . 1 . . . . 50 GLU HN . 18968 1 187 . 1 1 50 50 GLU C C 13 176.507 0.009 . 1 . . . . 50 GLU C . 18968 1 188 . 1 1 50 50 GLU CA C 13 56.702 0.04 . 1 . . . . 50 GLU CA . 18968 1 189 . 1 1 50 50 GLU N N 15 121.928 0.082 . 1 . . . . 50 GLU N . 18968 1 190 . 1 1 51 51 GLU H H 1 8.527 0.003 . 1 . . . . 51 GLU HN . 18968 1 191 . 1 1 51 51 GLU C C 13 176.092 0.004 . 1 . . . . 51 GLU C . 18968 1 192 . 1 1 51 51 GLU CA C 13 56.716 0.019 . 1 . . . . 51 GLU CA . 18968 1 193 . 1 1 51 51 GLU N N 15 121.776 0.023 . 1 . . . . 51 GLU N . 18968 1 194 . 1 1 52 52 ASP H H 1 8.501 0.006 . 1 . . . . 52 ASN HN . 18968 1 195 . 1 1 52 52 ASP C C 13 176.301 0.017 . 1 . . . . 52 ASN C . 18968 1 196 . 1 1 52 52 ASP CA C 13 54.345 0.031 . 1 . . . . 52 ASN CA . 18968 1 197 . 1 1 52 52 ASP N N 15 121.452 0.025 . 1 . . . . 52 ASN N . 18968 1 198 . 1 1 53 53 ASN H H 1 8.624 0.004 . 1 . . . . 53 ASN HN . 18968 1 199 . 1 1 53 53 ASN C C 13 175.903 0.01 . 1 . . . . 53 ASN C . 18968 1 200 . 1 1 53 53 ASN CA C 13 53.525 0.051 . 1 . . . . 53 ASN CA . 18968 1 201 . 1 1 53 53 ASN N N 15 120.678 0.026 . 1 . . . . 53 ASN N . 18968 1 202 . 1 1 54 54 THR H H 1 8.375 0.003 . 1 . . . . 54 THR HN . 18968 1 203 . 1 1 54 54 THR C C 13 174.85 0.014 . 1 . . . . 54 THR C . 18968 1 204 . 1 1 54 54 THR CA C 13 62.561 0.026 . 1 . . . . 54 THR CA . 18968 1 205 . 1 1 54 54 THR N N 15 113.598 0.034 . 1 . . . . 54 THR N . 18968 1 206 . 1 1 55 55 ALA H H 1 8.274 0.004 . 1 . . . . 55 ALA HN . 18968 1 207 . 1 1 55 55 ALA C C 13 178.011 0.001 . 1 . . . . 55 ALA C . 18968 1 208 . 1 1 55 55 ALA CA C 13 53.022 0.017 . 1 . . . . 55 ALA CA . 18968 1 209 . 1 1 55 55 ALA N N 15 125.75 0.028 . 1 . . . . 55 ALA N . 18968 1 210 . 1 1 56 56 GLY H H 1 8.343 0.002 . 1 . . . . 56 GLY HN . 18968 1 211 . 1 1 56 56 GLY C C 13 174.203 0.006 . 1 . . . . 56 GLY C . 18968 1 212 . 1 1 56 56 GLY CA C 13 45.406 0.028 . 1 . . . . 56 GLY CA . 18968 1 213 . 1 1 56 56 GLY N N 15 107.307 0.051 . 1 . . . . 56 GLY N . 18968 1 214 . 1 1 57 57 CYS H H 1 8.44 0.003 . 1 . . . . 57 CYS HN . 18968 1 215 . 1 1 57 57 CYS C C 13 174.944 0 . 1 . . . . 57 CYS C . 18968 1 216 . 1 1 57 57 CYS CA C 13 55.657 0.019 . 1 . . . . 57 CYS CA . 18968 1 217 . 1 1 57 57 CYS N N 15 118.506 0.059 . 1 . . . . 57 CYS N . 18968 1 218 . 1 1 58 58 THR H H 1 8.485 0.007 . 1 . . . . 58 THR HN . 18968 1 219 . 1 1 58 58 THR C C 13 174.515 0 . 1 . . . . 58 THR C . 18968 1 220 . 1 1 58 58 THR CA C 13 61.907 0.002 . 1 . . . . 58 THR CA . 18968 1 221 . 1 1 58 58 THR N N 15 115.567 0.042 . 1 . . . . 58 THR N . 18968 1 222 . 1 1 59 59 SER H H 1 8.491 0.007 . 1 . . . . 59 SER HN . 18968 1 223 . 1 1 59 59 SER C C 13 174.168 0.001 . 1 . . . . 59 SER C . 18968 1 224 . 1 1 59 59 SER CA C 13 58.405 0.007 . 1 . . . . 59 SER CA . 18968 1 225 . 1 1 59 59 SER N N 15 118.145 0.029 . 1 . . . . 59 SER N . 18968 1 226 . 1 1 60 60 ALA H H 1 8.409 0.006 . 1 . . . . 60 ALA HN . 18968 1 227 . 1 1 60 60 ALA C C 13 177.594 0.024 . 1 . . . . 60 ALA C . 18968 1 228 . 1 1 60 60 ALA CA C 13 52.592 0.039 . 1 . . . . 60 ALA CA . 18968 1 229 . 1 1 60 60 ALA N N 15 125.814 0.035 . 1 . . . . 60 ALA N . 18968 1 230 . 1 1 61 61 GLY H H 1 8.223 0.002 . 1 . . . . 61 GLY HN . 18968 1 231 . 1 1 61 61 GLY C C 13 171.686 0 . 1 . . . . 61 GLY C . 18968 1 232 . 1 1 61 61 GLY CA C 13 44.633 0.001 . 1 . . . . 61 GLY CA . 18968 1 233 . 1 1 61 61 GLY N N 15 107.749 0.027 . 1 . . . . 61 GLY N . 18968 1 234 . 1 1 62 62 PRO CA C 13 63.263 0.015 . 1 . . . . 62 PRO CA . 18968 1 235 . 1 1 62 62 PRO N N 15 133.473 0 . 1 . . . . 62 PRO N . 18968 1 236 . 1 1 63 63 HIS H H 1 8.54 0.009 . 1 . . . . 63 HIS HN . 18968 1 237 . 1 1 63 63 HIS CA C 13 55.956 0.044 . 1 . . . . 63 HIS CA . 18968 1 238 . 1 1 63 63 HIS N N 15 119.44 0.049 . 1 . . . . 63 HIS N . 18968 1 239 . 1 1 64 64 PHE H H 1 8.312 0.003 . 1 . . . . 64 PHE HN . 18968 1 240 . 1 1 64 64 PHE CA C 13 57.578 0.004 . 1 . . . . 64 PHE CA . 18968 1 241 . 1 1 64 64 PHE N N 15 122.254 0.061 . 1 . . . . 64 PHE N . 18968 1 242 . 1 1 65 65 ASN H H 1 8.643 0.006 . 1 . . . . 65 ASN HN . 18968 1 243 . 1 1 65 65 ASN CA C 13 50.737 0.015 . 1 . . . . 65 ASN CA . 18968 1 244 . 1 1 65 65 ASN N N 15 123.001 0.03 . 1 . . . . 65 ASN N . 18968 1 245 . 1 1 66 66 PRO C C 13 173.132 0.001 . 1 . . . . 66 PRO C . 18968 1 246 . 1 1 66 66 PRO CA C 13 63.487 0.032 . 1 . . . . 66 PRO CA . 18968 1 247 . 1 1 66 66 PRO N N 15 135.986 0.008 . 1 . . . . 66 PRO N . 18968 1 248 . 1 1 67 67 LEU H H 1 8.283 0.003 . 1 . . . . 67 LEU HN . 18968 1 249 . 1 1 67 67 LEU C C 13 177.257 0.373 . 1 . . . . 67 LEU C . 18968 1 250 . 1 1 67 67 LEU CA C 13 55.227 0.038 . 1 . . . . 67 LEU CA . 18968 1 251 . 1 1 67 67 LEU N N 15 120.848 0.036 . 1 . . . . 67 LEU N . 18968 1 252 . 1 1 68 68 SER H H 1 8.208 0.004 . 1 . . . . 68 SER HN . 18968 1 253 . 1 1 68 68 SER C C 13 174.609 0.017 . 1 . . . . 68 SER C . 18968 1 254 . 1 1 68 68 SER CA C 13 58.415 0.006 . 1 . . . . 68 SER CA . 18968 1 255 . 1 1 68 68 SER N N 15 116.279 0.036 . 1 . . . . 68 SER N . 18968 1 256 . 1 1 69 69 ARG H H 1 8.47 0.007 . 1 . . . . 69 ARG HN . 18968 1 257 . 1 1 69 69 ARG C C 13 176.204 0 . 1 . . . . 69 ARG C . 18968 1 258 . 1 1 69 69 ARG CA C 13 56.169 0.031 . 1 . . . . 69 ARG CA . 18968 1 259 . 1 1 69 69 ARG N N 15 123.341 0.05 . 1 . . . . 69 ARG N . 18968 1 260 . 1 1 70 70 LYS H H 1 8.516 0.005 . 1 . . . . 70 LYS HN . 18968 1 261 . 1 1 70 70 LYS C C 13 176.389 0 . 1 . . . . 70 LYS C . 18968 1 262 . 1 1 70 70 LYS CA C 13 56.43 0 . 1 . . . . 70 LYS CA . 18968 1 263 . 1 1 70 70 LYS N N 15 122.916 0.049 . 1 . . . . 70 LYS N . 18968 1 264 . 1 1 71 71 HIS H H 1 8.603 0.011 . 1 . . . . 71 HIS HN . 18968 1 265 . 1 1 71 71 HIS C C 13 175.582 0.005 . 1 . . . . 71 HIS C . 18968 1 266 . 1 1 71 71 HIS CA C 13 56.2 0.04 . 1 . . . . 71 HIS CA . 18968 1 267 . 1 1 71 71 HIS N N 15 121.122 0.095 . 1 . . . . 71 HIS N . 18968 1 268 . 1 1 72 72 GLY H H 1 8.559 0.007 . 1 . . . . 72 GLY HN . 18968 1 269 . 1 1 72 72 GLY C C 13 174.112 0.003 . 1 . . . . 72 GLY C . 18968 1 270 . 1 1 72 72 GLY CA C 13 45.241 0.027 . 1 . . . . 72 GLY CA . 18968 1 271 . 1 1 72 72 GLY N N 15 110.627 0.049 . 1 . . . . 72 GLY N . 18968 1 272 . 1 1 73 73 GLY H H 1 8.395 0.004 . 1 . . . . 73 GLY HN . 18968 1 273 . 1 1 73 73 GLY C C 13 171.783 0 . 1 . . . . 73 GLY C . 18968 1 274 . 1 1 73 73 GLY CA C 13 44.607 0 . 1 . . . . 73 GLY CA . 18968 1 275 . 1 1 73 73 GLY N N 15 108.949 0.02 . 1 . . . . 73 GLY N . 18968 1 276 . 1 1 74 74 PRO C C 13 177.242 0 . 1 . . . . 74 PRO C . 18968 1 277 . 1 1 74 74 PRO CA C 13 63.43 0.037 . 1 . . . . 74 PRO CA . 18968 1 278 . 1 1 75 75 LYS H H 1 8.596 0.004 . 1 . . . . 75 LYS HN . 18968 1 279 . 1 1 75 75 LYS C C 13 176.497 0.009 . 1 . . . . 75 LYS C . 18968 1 280 . 1 1 75 75 LYS CA C 13 56.633 0.01 . 1 . . . . 75 LYS CA . 18968 1 281 . 1 1 75 75 LYS N N 15 121.19 0.051 . 1 . . . . 75 LYS N . 18968 1 282 . 1 1 76 76 ASP H H 1 8.452 0.007 . 1 . . . . 76 ASN HN . 18968 1 283 . 1 1 76 76 ASP C C 13 176.316 0 . 1 . . . . 76 ASN C . 18968 1 284 . 1 1 76 76 ASP CA C 13 54.768 0.015 . 1 . . . . 76 ASN CA . 18968 1 285 . 1 1 76 76 ASP N N 15 121.507 0.061 . 1 . . . . 76 ASN N . 18968 1 286 . 1 1 77 77 GLU H H 1 8.47 0.004 . 1 . . . . 77 GLU HN . 18968 1 287 . 1 1 77 77 GLU C C 13 176.373 0 . 1 . . . . 77 GLU C . 18968 1 288 . 1 1 77 77 GLU CA C 13 56.679 0.035 . 1 . . . . 77 GLU CA . 18968 1 289 . 1 1 77 77 GLU N N 15 120.824 0.034 . 1 . . . . 77 GLU N . 18968 1 290 . 1 1 78 78 GLU H H 1 8.444 0.003 . 1 . . . . 78 GLU HN . 18968 1 291 . 1 1 78 78 GLU C C 13 176.285 0 . 1 . . . . 78 GLU C . 18968 1 292 . 1 1 78 78 GLU CA C 13 56.683 0.005 . 1 . . . . 78 GLU CA . 18968 1 293 . 1 1 78 78 GLU N N 15 121.989 0.036 . 1 . . . . 78 GLU N . 18968 1 294 . 1 1 79 79 ARG H H 1 8.409 0.008 . 1 . . . . 79 ARG HN . 18968 1 295 . 1 1 79 79 ARG C C 13 176.01 0.012 . 1 . . . . 79 ARG C . 18968 1 296 . 1 1 79 79 ARG CA C 13 56.039 0.049 . 1 . . . . 79 ARG CA . 18968 1 297 . 1 1 79 79 ARG N N 15 122.129 0.015 . 1 . . . . 79 ARG N . 18968 1 298 . 1 1 80 80 HIS H H 1 8.77 0.018 . 1 . . . . 80 HIS HN . 18968 1 299 . 1 1 80 80 HIS C C 13 174.89 0 . 1 . . . . 80 HIS C . 18968 1 300 . 1 1 80 80 HIS CA C 13 55.712 0.04 . 1 . . . . 80 HIS CA . 18968 1 301 . 1 1 80 80 HIS N N 15 121.697 0.068 . 1 . . . . 80 HIS N . 18968 1 302 . 1 1 81 81 VAL H H 1 8.373 0.008 . 1 . . . . 81 VAL HN . 18968 1 303 . 1 1 81 81 VAL C C 13 176.378 0.011 . 1 . . . . 81 VAL C . 18968 1 304 . 1 1 81 81 VAL CA C 13 62.659 0.009 . 1 . . . . 81 VAL CA . 18968 1 305 . 1 1 81 81 VAL N N 15 121.978 0.031 . 1 . . . . 81 VAL N . 18968 1 306 . 1 1 82 82 GLY H H 1 8.534 0.007 . 1 . . . . 82 GLY HN . 18968 1 307 . 1 1 82 82 GLY C C 13 173.696 0.023 . 1 . . . . 82 GLY C . 18968 1 308 . 1 1 82 82 GLY CA C 13 45.219 0.028 . 1 . . . . 82 GLY CA . 18968 1 309 . 1 1 82 82 GLY N N 15 112.172 0.032 . 1 . . . . 82 GLY N . 18968 1 310 . 1 1 83 83 ASP H H 1 8.313 0.005 . 1 . . . . 83 ASN HN . 18968 1 311 . 1 1 83 83 ASP C C 13 176.585 0.009 . 1 . . . . 83 ASN C . 18968 1 312 . 1 1 83 83 ASP CA C 13 54.455 0.006 . 1 . . . . 83 ASN CA . 18968 1 313 . 1 1 83 83 ASP N N 15 120.564 0.028 . 1 . . . . 83 ASN N . 18968 1 314 . 1 1 84 84 LEU H H 1 8.428 0.006 . 1 . . . . 84 LEU HN . 18968 1 315 . 1 1 84 84 LEU C C 13 177.925 0.005 . 1 . . . . 84 LEU C . 18968 1 316 . 1 1 84 84 LEU CA C 13 55.589 0.016 . 1 . . . . 84 LEU CA . 18968 1 317 . 1 1 84 84 LEU N N 15 122.687 0.046 . 1 . . . . 84 LEU N . 18968 1 318 . 1 1 85 85 GLY H H 1 8.515 0.004 . 1 . . . . 85 GLY HN . 18968 1 319 . 1 1 85 85 GLY C C 13 173.856 0.001 . 1 . . . . 85 GLY C . 18968 1 320 . 1 1 85 85 GLY CA C 13 45.385 0.012 . 1 . . . . 85 GLY CA . 18968 1 321 . 1 1 85 85 GLY N N 15 108.647 0.034 . 1 . . . . 85 GLY N . 18968 1 322 . 1 1 86 86 ASN H H 1 8.392 0.004 . 1 . . . . 86 ASN HN . 18968 1 323 . 1 1 86 86 ASN C C 13 175.338 0.003 . 1 . . . . 86 ASN C . 18968 1 324 . 1 1 86 86 ASN CA C 13 53.253 0.026 . 1 . . . . 86 ASN CA . 18968 1 325 . 1 1 86 86 ASN N N 15 118.877 0.02 . 1 . . . . 86 ASN N . 18968 1 326 . 1 1 87 87 VAL H H 1 8.253 0.003 . 1 . . . . 87 VAL HN . 18968 1 327 . 1 1 87 87 VAL C C 13 176.319 0.002 . 1 . . . . 87 VAL C . 18968 1 328 . 1 1 87 87 VAL CA C 13 62.581 0.014 . 1 . . . . 87 VAL CA . 18968 1 329 . 1 1 87 87 VAL N N 15 120.293 0.039 . 1 . . . . 87 VAL N . 18968 1 330 . 1 1 88 88 THR H H 1 8.32 0.002 . 1 . . . . 88 THR HN . 18968 1 331 . 1 1 88 88 THR C C 13 174.244 0.005 . 1 . . . . 88 THR C . 18968 1 332 . 1 1 88 88 THR CA C 13 61.78 0.015 . 1 . . . . 88 THR CA . 18968 1 333 . 1 1 88 88 THR N N 15 117.495 0.046 . 1 . . . . 88 THR N . 18968 1 334 . 1 1 89 89 ALA H H 1 8.361 0.002 . 1 . . . . 89 ALA HN . 18968 1 335 . 1 1 89 89 ALA C C 13 177.274 0.011 . 1 . . . . 89 ALA C . 18968 1 336 . 1 1 89 89 ALA CA C 13 52.537 0.014 . 1 . . . . 89 ALA CA . 18968 1 337 . 1 1 89 89 ALA N N 15 126.201 0.036 . 1 . . . . 89 ALA N . 18968 1 338 . 1 1 90 90 ASP H H 1 8.416 0.004 . 1 . . . . 90 ASN HN . 18968 1 339 . 1 1 90 90 ASP C C 13 176.51 0 . 1 . . . . 90 ASN C . 18968 1 340 . 1 1 90 90 ASP CA C 13 54.526 0.021 . 1 . . . . 90 ASN CA . 18968 1 341 . 1 1 90 90 ASP N N 15 119.96 0.041 . 1 . . . . 90 ASN N . 18968 1 342 . 1 1 91 91 LYS H H 1 8.379 0.005 . 1 . . . . 91 LYS HN . 18968 1 343 . 1 1 91 91 LYS C C 13 176.32 0 . 1 . . . . 91 LYS C . 18968 1 344 . 1 1 91 91 LYS CA C 13 56.76 0.041 . 1 . . . . 91 LYS CA . 18968 1 345 . 1 1 91 91 LYS N N 15 121.423 0.035 . 1 . . . . 91 LYS N . 18968 1 346 . 1 1 92 92 ASP H H 1 8.45 0.003 . 1 . . . . 92 ASN HN . 18968 1 347 . 1 1 92 92 ASP C C 13 176.684 0 . 1 . . . . 92 ASN C . 18968 1 348 . 1 1 92 92 ASP CA C 13 54.725 0.041 . 1 . . . . 92 ASN CA . 18968 1 349 . 1 1 92 92 ASP N N 15 120.756 0.05 . 1 . . . . 92 ASN N . 18968 1 350 . 1 1 93 93 GLY H H 1 8.333 0.006 . 1 . . . . 93 GLY HN . 18968 1 351 . 1 1 93 93 GLY C C 13 173.955 0.002 . 1 . . . . 93 GLY C . 18968 1 352 . 1 1 93 93 GLY CA C 13 45.499 0.012 . 1 . . . . 93 GLY CA . 18968 1 353 . 1 1 93 93 GLY N N 15 108.878 0.038 . 1 . . . . 93 GLY N . 18968 1 354 . 1 1 94 94 VAL H H 1 8.085 0.005 . 1 . . . . 94 VAL HN . 18968 1 355 . 1 1 94 94 VAL C C 13 175.844 0.002 . 1 . . . . 94 VAL C . 18968 1 356 . 1 1 94 94 VAL CA C 13 62.213 0.015 . 1 . . . . 94 VAL CA . 18968 1 357 . 1 1 94 94 VAL N N 15 119.17 0.046 . 1 . . . . 94 VAL N . 18968 1 358 . 1 1 95 95 ALA H H 1 8.475 0.004 . 1 . . . . 95 ALA HN . 18968 1 359 . 1 1 95 95 ALA C C 13 177.207 0.001 . 1 . . . . 95 ALA C . 18968 1 360 . 1 1 95 95 ALA CA C 13 52.398 0.027 . 1 . . . . 95 ALA CA . 18968 1 361 . 1 1 95 95 ALA N N 15 127.62 0.044 . 1 . . . . 95 ALA N . 18968 1 362 . 1 1 96 96 ASP H H 1 8.414 0.003 . 1 . . . . 96 ASN HN . 18968 1 363 . 1 1 96 96 ASP C C 13 176.222 0 . 1 . . . . 96 ASN C . 18968 1 364 . 1 1 96 96 ASP CA C 13 54.322 0.018 . 1 . . . . 96 ASN CA . 18968 1 365 . 1 1 96 96 ASP N N 15 120.447 0.028 . 1 . . . . 96 ASN N . 18968 1 366 . 1 1 97 97 VAL H H 1 8.135 0.003 . 1 . . . . 97 VAL HN . 18968 1 367 . 1 1 97 97 VAL C C 13 176.048 0.002 . 1 . . . . 97 VAL C . 18968 1 368 . 1 1 97 97 VAL CA C 13 62.022 0.041 . 1 . . . . 97 VAL CA . 18968 1 369 . 1 1 97 97 VAL N N 15 119.46 0.021 . 1 . . . . 97 VAL N . 18968 1 370 . 1 1 98 98 SER H H 1 8.579 0.004 . 1 . . . . 98 SER HN . 18968 1 371 . 1 1 98 98 SER C C 13 174.797 0.003 . 1 . . . . 98 SER C . 18968 1 372 . 1 1 98 98 SER CA C 13 58.363 0.015 . 1 . . . . 98 SER CA . 18968 1 373 . 1 1 98 98 SER N N 15 119.609 0.055 . 1 . . . . 98 SER N . 18968 1 374 . 1 1 99 99 ILE H H 1 8.308 0.003 . 1 . . . . 99 ILE HN . 18968 1 375 . 1 1 99 99 ILE C C 13 176.32 0 . 1 . . . . 99 ILE C . 18968 1 376 . 1 1 99 99 ILE CA C 13 61.565 0.02 . 1 . . . . 99 ILE CA . 18968 1 377 . 1 1 99 99 ILE N N 15 123.038 0.054 . 1 . . . . 99 ILE N . 18968 1 378 . 1 1 100 100 GLU H H 1 8.553 0.003 . 1 . . . . 100 GLU HN . 18968 1 379 . 1 1 100 100 GLU C C 13 176.272 0 . 1 . . . . 100 GLU C . 18968 1 380 . 1 1 100 100 GLU CA C 13 56.906 0.012 . 1 . . . . 100 GLU CA . 18968 1 381 . 1 1 100 100 GLU N N 15 124.153 0.028 . 1 . . . . 100 GLU N . 18968 1 382 . 1 1 101 101 ASP H H 1 8.371 0.003 . 1 . . . . 101 ASN HN . 18968 1 383 . 1 1 101 101 ASP C C 13 176.336 0 . 1 . . . . 101 ASN C . 18968 1 384 . 1 1 101 101 ASP CA C 13 54.667 0.019 . 1 . . . . 101 ASN CA . 18968 1 385 . 1 1 101 101 ASP N N 15 121.458 0.032 . 1 . . . . 101 ASN N . 18968 1 386 . 1 1 102 102 SER H H 1 8.298 0.003 . 1 . . . . 102 SER HN . 18968 1 387 . 1 1 102 102 SER C C 13 174.612 0 . 1 . . . . 102 SER C . 18968 1 388 . 1 1 102 102 SER CA C 13 58.715 0.023 . 1 . . . . 102 SER CA . 18968 1 389 . 1 1 102 102 SER N N 15 115.818 0.06 . 1 . . . . 102 SER N . 18968 1 390 . 1 1 103 103 VAL H H 1 8.212 0.002 . 1 . . . . 103 VAL HN . 18968 1 391 . 1 1 103 103 VAL C C 13 176.176 0 . 1 . . . . 103 VAL C . 18968 1 392 . 1 1 103 103 VAL CA C 13 62.721 0.03 . 1 . . . . 103 VAL CA . 18968 1 393 . 1 1 103 103 VAL N N 15 121.748 0.042 . 1 . . . . 103 VAL N . 18968 1 394 . 1 1 104 104 ILE H H 1 8.253 0.003 . 1 . . . . 104 ILE HN . 18968 1 395 . 1 1 104 104 ILE C C 13 176.202 0.01 . 1 . . . . 104 ILE C . 18968 1 396 . 1 1 104 104 ILE CA C 13 61.178 0.029 . 1 . . . . 104 ILE CA . 18968 1 397 . 1 1 104 104 ILE N N 15 123.972 0.046 . 1 . . . . 104 ILE N . 18968 1 398 . 1 1 105 105 SER H H 1 8.461 0.006 . 1 . . . . 105 SER HN . 18968 1 399 . 1 1 105 105 SER C C 13 175.621 1.288 . 1 . . . . 105 SER C . 18968 1 400 . 1 1 105 105 SER CA C 13 58.132 0.018 . 1 . . . . 105 SER CA . 18968 1 401 . 1 1 105 105 SER N N 15 119.786 0.05 . 1 . . . . 105 SER N . 18968 1 402 . 1 1 106 106 LEU H H 1 8.513 0.007 . 1 . . . . 106 LEU HN . 18968 1 403 . 1 1 106 106 LEU C C 13 177.463 0 . 1 . . . . 106 LEU C . 18968 1 404 . 1 1 106 106 LEU CA C 13 55.276 0.048 . 1 . . . . 106 LEU CA . 18968 1 405 . 1 1 106 106 LEU N N 15 125.172 0.056 . 1 . . . . 106 LEU N . 18968 1 406 . 1 1 107 107 SER H H 1 8.398 0.003 . 1 . . . . 107 SER HN . 18968 1 407 . 1 1 107 107 SER C C 13 175.077 0.013 . 1 . . . . 107 SER C . 18968 1 408 . 1 1 107 107 SER CA C 13 58.56 0.028 . 1 . . . . 107 SER CA . 18968 1 409 . 1 1 107 107 SER N N 15 115.765 0.052 . 1 . . . . 107 SER N . 18968 1 410 . 1 1 108 108 GLY H H 1 8.435 0.003 . 1 . . . . 108 GLY HN . 18968 1 411 . 1 1 108 108 GLY C C 13 173.819 0.003 . 1 . . . . 108 GLY C . 18968 1 412 . 1 1 108 108 GLY CA C 13 45.441 0.006 . 1 . . . . 108 GLY CA . 18968 1 413 . 1 1 108 108 GLY N N 15 110.58 0.038 . 1 . . . . 108 GLY N . 18968 1 414 . 1 1 109 109 ASP H H 1 8.32 0.005 . 1 . . . . 109 ASN HN . 18968 1 415 . 1 1 109 109 ASP C C 13 176.405 0 . 1 . . . . 109 ASN C . 18968 1 416 . 1 1 109 109 ASP CA C 13 54.557 0.052 . 1 . . . . 109 ASN CA . 18968 1 417 . 1 1 109 109 ASP N N 15 120.314 0.048 . 1 . . . . 109 ASN N . 18968 1 418 . 1 1 110 110 HIS H H 1 8.417 0.018 . 1 . . . . 110 HIS HN . 18968 1 419 . 1 1 110 110 HIS C C 13 174.558 0.007 . 1 . . . . 110 HIS C . 18968 1 420 . 1 1 110 110 HIS CA C 13 55.942 0.039 . 1 . . . . 110 HIS CA . 18968 1 421 . 1 1 110 110 HIS N N 15 119.136 0.055 . 1 . . . . 110 HIS N . 18968 1 422 . 1 1 111 111 ALA H H 1 8.323 0.011 . 1 . . . . 111 ALA HN . 18968 1 423 . 1 1 111 111 ALA C C 13 177.471 0.017 . 1 . . . . 111 ALA C . 18968 1 424 . 1 1 111 111 ALA CA C 13 52.705 0.048 . 1 . . . . 111 ALA CA . 18968 1 425 . 1 1 111 111 ALA N N 15 124.434 0.037 . 1 . . . . 111 ALA N . 18968 1 426 . 1 1 112 112 ILE H H 1 8.283 0.005 . 1 . . . . 112 ILE HN . 18968 1 427 . 1 1 112 112 ILE C C 13 176.238 0.008 . 1 . . . . 112 ILE C . 18968 1 428 . 1 1 112 112 ILE CA C 13 61.195 0.014 . 1 . . . . 112 ILE CA . 18968 1 429 . 1 1 112 112 ILE N N 15 120.609 0.023 . 1 . . . . 112 ILE N . 18968 1 430 . 1 1 113 113 ILE H H 1 8.366 0.006 . 1 . . . . 113 ILE HN . 18968 1 431 . 1 1 113 113 ILE C C 13 176.639 0.003 . 1 . . . . 113 ILE C . 18968 1 432 . 1 1 113 113 ILE CA C 13 61.216 0.012 . 1 . . . . 113 ILE CA . 18968 1 433 . 1 1 113 113 ILE N N 15 125.565 0.022 . 1 . . . . 113 ILE N . 18968 1 434 . 1 1 114 114 GLY H H 1 8.536 0.005 . 1 . . . . 114 GLY HN . 18968 1 435 . 1 1 114 114 GLY C C 13 173.745 0.023 . 1 . . . . 114 GLY C . 18968 1 436 . 1 1 114 114 GLY CA C 13 45.273 0.04 . 1 . . . . 114 GLY CA . 18968 1 437 . 1 1 114 114 GLY N N 15 113.137 0.069 . 1 . . . . 114 GLY N . 18968 1 438 . 1 1 115 115 ARG H H 1 8.309 0.004 . 1 . . . . 115 ARG HN . 18968 1 439 . 1 1 115 115 ARG C C 13 176.427 0.019 . 1 . . . . 115 ARG C . 18968 1 440 . 1 1 115 115 ARG CA C 13 56.135 0.009 . 1 . . . . 115 ARG CA . 18968 1 441 . 1 1 115 115 ARG N N 15 120.657 0.042 . 1 . . . . 115 ARG N . 18968 1 442 . 1 1 116 116 THR H H 1 8.428 0.005 . 1 . . . . 116 THR HN . 18968 1 443 . 1 1 116 116 THR C C 13 174.226 0.002 . 1 . . . . 116 THR C . 18968 1 444 . 1 1 116 116 THR CA C 13 62.111 0.052 . 1 . . . . 116 THR CA . 18968 1 445 . 1 1 116 116 THR N N 15 116.47 0.031 . 1 . . . . 116 THR N . 18968 1 446 . 1 1 117 117 LEU H H 1 8.473 0.006 . 1 . . . . 117 LEU HN . 18968 1 447 . 1 1 117 117 LEU C C 13 176.699 0.001 . 1 . . . . 117 LEU C . 18968 1 448 . 1 1 117 117 LEU CA C 13 55.171 0.016 . 1 . . . . 117 LEU CA . 18968 1 449 . 1 1 117 117 LEU N N 15 125.721 0.047 . 1 . . . . 117 LEU N . 18968 1 450 . 1 1 118 118 VAL H H 1 8.374 0.004 . 1 . . . . 118 VAL HN . 18968 1 451 . 1 1 118 118 VAL C C 13 175.801 0.025 . 1 . . . . 118 VAL C . 18968 1 452 . 1 1 118 118 VAL CA C 13 62.351 0.017 . 1 . . . . 118 VAL CA . 18968 1 453 . 1 1 118 118 VAL N N 15 123.07 0.033 . 1 . . . . 118 VAL N . 18968 1 454 . 1 1 119 119 VAL H H 1 8.374 0.004 . 1 . . . . 119 VAL HN . 18968 1 455 . 1 1 119 119 VAL C C 13 175.782 0.013 . 1 . . . . 119 VAL C . 18968 1 456 . 1 1 119 119 VAL CA C 13 62.136 0.026 . 1 . . . . 119 VAL CA . 18968 1 457 . 1 1 119 119 VAL N N 15 125.109 0.06 . 1 . . . . 119 VAL N . 18968 1 458 . 1 1 120 120 HIS H H 1 8.646 0.016 . 1 . . . . 120 HIS HN . 18968 1 459 . 1 1 120 120 HIS C C 13 174.819 0.001 . 1 . . . . 120 HIS C . 18968 1 460 . 1 1 120 120 HIS CA C 13 55.75 0.049 . 1 . . . . 120 HIS CA . 18968 1 461 . 1 1 120 120 HIS N N 15 124.01 0.061 . 1 . . . . 120 HIS N . 18968 1 462 . 1 1 121 121 GLU H H 1 8.671 0.012 . 1 . . . . 121 GLU HN . 18968 1 463 . 1 1 121 121 GLU C C 13 176.198 0.021 . 1 . . . . 121 GLU C . 18968 1 464 . 1 1 121 121 GLU CA C 13 56.694 0.013 . 1 . . . . 121 GLU CA . 18968 1 465 . 1 1 121 121 GLU N N 15 123.321 0.113 . 1 . . . . 121 GLU N . 18968 1 466 . 1 1 122 122 LYS H H 1 8.596 0.005 . 1 . . . . 122 LYS HN . 18968 1 467 . 1 1 122 122 LYS C C 13 176.233 0.013 . 1 . . . . 122 LYS C . 18968 1 468 . 1 1 122 122 LYS CA C 13 56.37 0.014 . 1 . . . . 122 LYS CA . 18968 1 469 . 1 1 122 122 LYS N N 15 122.878 0.046 . 1 . . . . 122 LYS N . 18968 1 470 . 1 1 123 123 ALA H H 1 8.516 0.005 . 1 . . . . 123 ALA HN . 18968 1 471 . 1 1 123 123 ALA C C 13 177.393 0.015 . 1 . . . . 123 ALA C . 18968 1 472 . 1 1 123 123 ALA CA C 13 52.552 0.038 . 1 . . . . 123 ALA CA . 18968 1 473 . 1 1 123 123 ALA N N 15 125.871 0.017 . 1 . . . . 123 ALA N . 18968 1 474 . 1 1 124 124 ASP H H 1 8.425 0.004 . 1 . . . . 124 ASN HN . 18968 1 475 . 1 1 124 124 ASP C C 13 176.051 0.005 . 1 . . . . 124 ASN C . 18968 1 476 . 1 1 124 124 ASP CA C 13 54.462 0.04 . 1 . . . . 124 ASN CA . 18968 1 477 . 1 1 124 124 ASP N N 15 119.811 0.038 . 1 . . . . 124 ASN N . 18968 1 478 . 1 1 125 125 ASP H H 1 8.381 0.004 . 1 . . . . 125 ASN HN . 18968 1 479 . 1 1 125 125 ASP C C 13 176.502 0.014 . 1 . . . . 125 ASN C . 18968 1 480 . 1 1 125 125 ASP CA C 13 54.362 0.02 . 1 . . . . 125 ASN CA . 18968 1 481 . 1 1 125 125 ASP N N 15 120.476 0.052 . 1 . . . . 125 ASN N . 18968 1 482 . 1 1 126 126 LEU H H 1 8.323 0.003 . 1 . . . . 126 LEU HN . 18968 1 483 . 1 1 126 126 LEU C C 13 178.105 0.002 . 1 . . . . 126 LEU C . 18968 1 484 . 1 1 126 126 LEU CA C 13 55.667 0.013 . 1 . . . . 126 LEU CA . 18968 1 485 . 1 1 126 126 LEU N N 15 122.375 0.045 . 1 . . . . 126 LEU N . 18968 1 486 . 1 1 127 127 GLY H H 1 8.541 0.003 . 1 . . . . 127 GLY HN . 18968 1 487 . 1 1 127 127 GLY C C 13 174.374 0.003 . 1 . . . . 127 GLY C . 18968 1 488 . 1 1 127 127 GLY CA C 13 45.553 0.026 . 1 . . . . 127 GLY CA . 18968 1 489 . 1 1 127 127 GLY N N 15 109.004 0.058 . 1 . . . . 127 GLY N . 18968 1 490 . 1 1 128 128 LYS H H 1 8.224 0.003 . 1 . . . . 128 LYS HN . 18968 1 491 . 1 1 128 128 LYS C C 13 177.202 0.023 . 1 . . . . 128 LYS C . 18968 1 492 . 1 1 128 128 LYS CA C 13 56.586 0.016 . 1 . . . . 128 LYS CA . 18968 1 493 . 1 1 128 128 LYS N N 15 120.516 0.043 . 1 . . . . 128 LYS N . 18968 1 494 . 1 1 129 129 GLY H H 1 8.563 0.004 . 1 . . . . 129 GLY HN . 18968 1 495 . 1 1 129 129 GLY C C 13 174.523 0.005 . 1 . . . . 129 GLY C . 18968 1 496 . 1 1 129 129 GLY CA C 13 45.354 0.026 . 1 . . . . 129 GLY CA . 18968 1 497 . 1 1 129 129 GLY N N 15 109.723 0.038 . 1 . . . . 129 GLY N . 18968 1 498 . 1 1 130 130 GLY H H 1 8.408 0.004 . 1 . . . . 130 GLY HN . 18968 1 499 . 1 1 130 130 GLY C C 13 174.021 0.004 . 1 . . . . 130 GLY C . 18968 1 500 . 1 1 130 130 GLY CA C 13 45.369 0.011 . 1 . . . . 130 GLY CA . 18968 1 501 . 1 1 130 130 GLY N N 15 108.671 0.04 . 1 . . . . 130 GLY N . 18968 1 502 . 1 1 131 131 ASN H H 1 8.52 0.004 . 1 . . . . 131 ASN HN . 18968 1 503 . 1 1 131 131 ASN C C 13 175.472 0.007 . 1 . . . . 131 ASN C . 18968 1 504 . 1 1 131 131 ASN CA C 13 53.358 0.016 . 1 . . . . 131 ASN CA . 18968 1 505 . 1 1 131 131 ASN N N 15 118.643 0.043 . 1 . . . . 131 ASN N . 18968 1 506 . 1 1 132 132 GLU H H 1 8.71 0.004 . 1 . . . . 132 GLU HN . 18968 1 507 . 1 1 132 132 GLU C C 13 176.688 0.001 . 1 . . . . 132 GLU C . 18968 1 508 . 1 1 132 132 GLU CA C 13 57.218 0.014 . 1 . . . . 132 GLU CA . 18968 1 509 . 1 1 132 132 GLU N N 15 121.434 0.038 . 1 . . . . 132 GLU N . 18968 1 510 . 1 1 133 133 GLU H H 1 8.573 0.003 . 1 . . . . 133 GLU HN . 18968 1 511 . 1 1 133 133 GLU C C 13 176.859 0.015 . 1 . . . . 133 GLU C . 18968 1 512 . 1 1 133 133 GLU CA C 13 56.985 0.013 . 1 . . . . 133 GLU CA . 18968 1 513 . 1 1 133 133 GLU N N 15 121.667 0.049 . 1 . . . . 133 GLU N . 18968 1 514 . 1 1 134 134 SER H H 1 8.442 0.005 . 1 . . . . 134 SER HN . 18968 1 515 . 1 1 134 134 SER C C 13 175.122 0.008 . 1 . . . . 134 SER C . 18968 1 516 . 1 1 134 134 SER CA C 13 58.803 0.014 . 1 . . . . 134 SER CA . 18968 1 517 . 1 1 134 134 SER N N 15 116.561 0.042 . 1 . . . . 134 SER N . 18968 1 518 . 1 1 135 135 THR H H 1 8.274 0.003 . 1 . . . . 135 THR HN . 18968 1 519 . 1 1 135 135 THR C C 13 174.783 0 . 1 . . . . 135 THR C . 18968 1 520 . 1 1 135 135 THR CA C 13 62.24 0.022 . 1 . . . . 135 THR CA . 18968 1 521 . 1 1 135 135 THR N N 15 115.535 0.044 . 1 . . . . 135 THR N . 18968 1 522 . 1 1 136 136 LYS H H 1 8.395 0.005 . 1 . . . . 136 LYS HN . 18968 1 523 . 1 1 136 136 LYS C C 13 176.796 0.006 . 1 . . . . 136 LYS C . 18968 1 524 . 1 1 136 136 LYS CA C 13 56.607 0.032 . 1 . . . . 136 LYS CA . 18968 1 525 . 1 1 136 136 LYS N N 15 123.519 0.036 . 1 . . . . 136 LYS N . 18968 1 526 . 1 1 137 137 THR H H 1 8.254 0.003 . 1 . . . . 137 THR HN . 18968 1 527 . 1 1 137 137 THR C C 13 175.163 0.002 . 1 . . . . 137 THR C . 18968 1 528 . 1 1 137 137 THR CA C 13 61.958 0.133 . 1 . . . . 137 THR CA . 18968 1 529 . 1 1 137 137 THR N N 15 114.341 0.041 . 1 . . . . 137 THR N . 18968 1 530 . 1 1 138 138 GLY H H 1 8.464 0.004 . 1 . . . . 138 GLY HN . 18968 1 531 . 1 1 138 138 GLY C C 13 173.856 0.004 . 1 . . . . 138 GLY C . 18968 1 532 . 1 1 138 138 GLY CA C 13 45.414 0.021 . 1 . . . . 138 GLY CA . 18968 1 533 . 1 1 138 138 GLY N N 15 110.628 0.019 . 1 . . . . 138 GLY N . 18968 1 534 . 1 1 139 139 ASN H H 1 8.466 0.004 . 1 . . . . 139 ASN HN . 18968 1 535 . 1 1 139 139 ASN C C 13 175.279 0.011 . 1 . . . . 139 ASN C . 18968 1 536 . 1 1 139 139 ASN CA C 13 53.237 0.011 . 1 . . . . 139 ASN CA . 18968 1 537 . 1 1 139 139 ASN N N 15 118.884 0.032 . 1 . . . . 139 ASN N . 18968 1 538 . 1 1 140 140 ALA H H 1 8.514 0.007 . 1 . . . . 140 ALA HN . 18968 1 539 . 1 1 140 140 ALA C C 13 178.112 0.002 . 1 . . . . 140 ALA C . 18968 1 540 . 1 1 140 140 ALA CA C 13 53.046 0.047 . 1 . . . . 140 ALA CA . 18968 1 541 . 1 1 140 140 ALA N N 15 124.867 0.382 . 1 . . . . 140 ALA N . 18968 1 542 . 1 1 141 141 GLY H H 1 8.422 0.004 . 1 . . . . 141 GLY HN . 18968 1 543 . 1 1 141 141 GLY C C 13 174.195 0.006 . 1 . . . . 141 GLY C . 18968 1 544 . 1 1 141 141 GLY CA C 13 45.359 0.01 . 1 . . . . 141 GLY CA . 18968 1 545 . 1 1 141 141 GLY N N 15 107.648 0.04 . 1 . . . . 141 GLY N . 18968 1 546 . 1 1 142 142 SER H H 1 8.265 0.003 . 1 . . . . 142 SER HN . 18968 1 547 . 1 1 142 142 SER C C 13 174.65 0.016 . 1 . . . . 142 SER C . 18968 1 548 . 1 1 142 142 SER CA C 13 58.475 0.021 . 1 . . . . 142 SER CA . 18968 1 549 . 1 1 142 142 SER N N 15 115.566 0.034 . 1 . . . . 142 SER N . 18968 1 550 . 1 1 143 143 ARG H H 1 8.529 0.004 . 1 . . . . 143 ARG HN . 18968 1 551 . 1 1 143 143 ARG C C 13 176.175 0.036 . 1 . . . . 143 ARG C . 18968 1 552 . 1 1 143 143 ARG CA C 13 56.316 0.022 . 1 . . . . 143 ARG CA . 18968 1 553 . 1 1 143 143 ARG N N 15 123.222 0.076 . 1 . . . . 143 ARG N . 18968 1 554 . 1 1 144 144 LEU H H 1 8.413 0.004 . 1 . . . . 144 LEU HN . 18968 1 555 . 1 1 144 144 LEU C C 13 176.921 0.006 . 1 . . . . 144 LEU C . 18968 1 556 . 1 1 144 144 LEU CA C 13 55.079 0.017 . 1 . . . . 144 LEU CA . 18968 1 557 . 1 1 144 144 LEU N N 15 123.66 0.05 . 1 . . . . 144 LEU N . 18968 1 558 . 1 1 145 145 ALA H H 1 8.485 0.003 . 1 . . . . 145 ALA HN . 18968 1 559 . 1 1 145 145 ALA C C 13 177.462 0.013 . 1 . . . . 145 ALA C . 18968 1 560 . 1 1 145 145 ALA CA C 13 52.45 0.037 . 1 . . . . 145 ALA CA . 18968 1 561 . 1 1 145 145 ALA N N 15 125.227 0.024 . 1 . . . . 145 ALA N . 18968 1 562 . 1 1 146 146 CYS H H 1 8.494 0.005 . 1 . . . . 146 CYS HN . 18968 1 563 . 1 1 146 146 CYS C C 13 175.116 0.006 . 1 . . . . 146 CYS C . 18968 1 564 . 1 1 146 146 CYS CA C 13 55.391 0.016 . 1 . . . . 146 CYS CA . 18968 1 565 . 1 1 146 146 CYS N N 15 118.095 0.028 . 1 . . . . 146 CYS N . 18968 1 566 . 1 1 147 147 GLY H H 1 8.617 0.004 . 1 . . . . 147 GLY HN . 18968 1 567 . 1 1 147 147 GLY C C 13 173.579 0.007 . 1 . . . . 147 GLY C . 18968 1 568 . 1 1 147 147 GLY CA C 13 45.451 0.015 . 1 . . . . 147 GLY CA . 18968 1 569 . 1 1 147 147 GLY N N 15 110.845 0.045 . 1 . . . . 147 GLY N . 18968 1 570 . 1 1 148 148 VAL H H 1 8.095 0.004 . 1 . . . . 148 VAL HN . 18968 1 571 . 1 1 148 148 VAL C C 13 176.101 0.017 . 1 . . . . 148 VAL C . 18968 1 572 . 1 1 148 148 VAL CA C 13 62.283 0.042 . 1 . . . . 148 VAL CA . 18968 1 573 . 1 1 148 148 VAL N N 15 119.432 0.052 . 1 . . . . 148 VAL N . 18968 1 574 . 1 1 149 149 ILE H H 1 8.386 0.003 . 1 . . . . 149 ILE HN . 18968 1 575 . 1 1 149 149 ILE C C 13 176.558 0.015 . 1 . . . . 149 ILE C . 18968 1 576 . 1 1 149 149 ILE CA C 13 61.204 0.027 . 1 . . . . 149 ILE CA . 18968 1 577 . 1 1 149 149 ILE N N 15 125.069 0.066 . 1 . . . . 149 ILE N . 18968 1 578 . 1 1 150 150 GLY H H 1 8.518 0.006 . 1 . . . . 150 GLY HN . 18968 1 579 . 1 1 150 150 GLY C C 13 173.62 0.003 . 1 . . . . 150 GLY C . 18968 1 580 . 1 1 150 150 GLY CA C 13 45.234 0.016 . 1 . . . . 150 GLY CA . 18968 1 581 . 1 1 150 150 GLY N N 15 113.106 0.025 . 1 . . . . 150 GLY N . 18968 1 582 . 1 1 151 151 ILE H H 1 8.082 0.004 . 1 . . . . 151 ILE HN . 18968 1 583 . 1 1 151 151 ILE C C 13 175.79 0.005 . 1 . . . . 151 ILE C . 18968 1 584 . 1 1 151 151 ILE CA C 13 61.026 0.02 . 1 . . . . 151 ILE CA . 18968 1 585 . 1 1 151 151 ILE N N 15 119.944 0.2 . 1 . . . . 151 ILE N . 18968 1 586 . 1 1 152 152 ALA H H 1 8.474 0.005 . 1 . . . . 152 ALA HN . 18968 1 587 . 1 1 152 152 ALA C C 13 176.56 0.001 . 1 . . . . 152 ALA C . 18968 1 588 . 1 1 152 152 ALA CA C 13 52.577 0.021 . 1 . . . . 152 ALA CA . 18968 1 589 . 1 1 152 152 ALA N N 15 128.747 0.059 . 1 . . . . 152 ALA N . 18968 1 590 . 1 1 153 153 GLN H H 1 8.09 0.006 . 1 . . . . 153 GLN HN . 18968 1 591 . 1 1 153 153 GLN C C 13 180.606 0 . 1 . . . . 153 GLN C . 18968 1 592 . 1 1 153 153 GLN CA C 13 57.541 0.009 . 1 . . . . 153 GLN CA . 18968 1 593 . 1 1 153 153 GLN N N 15 125.438 0.038 . 1 . . . . 153 GLN N . 18968 1 stop_ save_