data_18081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18081 _Entry.Title ; Solution structure of Thermus thermophilus apo-CuA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-15 _Entry.Accession_date 2011-11-15 _Entry.Last_release_date 2012-06-19 _Entry.Original_release_date 2012-06-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details "Solution structure of the cupredoxin domain of subunit II from Thermus thermophilus' COX in its apo form" _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 Maria-Eugenia Zaballa . . . 18081 2 Luciano Abriata . . . 18081 3 Antonio Donaire . . . 18081 4 Alejandro Vila . . . 18081 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18081 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID apo-CuA . 18081 'cytochrome c oxidase' . 18081 'electron transfer' . 18081 'entatic state' . 18081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 18081 '15N chemical shifts' 137 18081 '1H chemical shifts' 802 18081 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 . . 2012-06-19 2011-11-15 original author . 18081 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LLN 'BMRB Entry Tracking System' 18081 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22645370 _Citation.Full_citation . _Citation.Title 'Flexibility of the metal-binding region in apo-cupredoxins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 24 _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 9254 _Citation.Page_last 9259 _Citation.Year 2012 _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 Maria-Eugenia Zaballa . . . 18081 1 2 Luciano Abriata . A. . 18081 1 3 Antonio Donaire . . . 18081 1 4 Alejandro Vila . J. . 18081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18081 _Assembly.ID 1 _Assembly.Name apoCuA_polypeptide _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 apoCuA_polypeptide 1 $apoCuA_polypeptide A . yes native no no . . . 18081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apoCuA_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode apoCuA_polypeptide _Entity.Entry_ID 18081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apoCuA_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVIPAGKLERVDPTTVRQEG PWADPAQAVVQTGPNQYTVY VLAFAFGYQPNPIEVPQGAE IVFKITSPDVIHGFHVEGTN INVEVLPGEVSTVRYTFKRP GEYRIICNQYCGLGHQNMFG TIVVKE ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13959.982 _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 PDB 1EHK . "Crystal Structure Of The Aberrant Ba3-Cytochrome-C Oxidase From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 2 no PDB 1XME . "Structure Of Recombinant Cytochrome Ba3 Oxidase From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 3 no PDB 2CUA . "The Cua Domain Of Cytochrome Ba3 From Thermus Thermophilus" . . . . . 99.21 135 100.00 100.00 4.54e-85 . . . . 18081 1 4 no PDB 2FWL . "The Cytochrome C552CUA COMPLEX FROM THERMUS THERMOPHILUS" . . . . . 99.21 136 100.00 100.00 4.16e-85 . . . . 18081 1 5 no PDB 2LLN . "Solution Structure Of Thermus Thermophilus Apo-Cua" . . . . . 100.00 126 100.00 100.00 9.53e-86 . . . . 18081 1 6 no PDB 2QPD . "An Unexpected Outcome Of Surface-Engineering An Integral Membrane Protein: Improved Crystallization Of Cytochrome Ba3 Oxidase F" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 7 no PDB 2QPE . "An Unexpected Outcome Of Surface-Engineering An Integral Membrane Protein: Improved Crystallization Of Cytochrome Ba3 Oxidase F" . . . . . 99.21 168 100.00 100.00 1.20e-85 . . . . 18081 1 8 no PDB 3BVD . "Structure Of Surface-Engineered Cytochrome Ba3 Oxidase From Thermus Thermophilus Under Xenon Pressure, 100psi 5min" . . . . . 99.21 168 100.00 100.00 1.20e-85 . . . . 18081 1 9 no PDB 3EH3 . "Structure Of The Reduced Form Of Cytochrome Ba3 Oxidase From Thermus Thermophilus" . . . . . 99.21 166 100.00 100.00 1.71e-85 . . . . 18081 1 10 no PDB 3EH4 . "Structure Of The Reduced Form Of Cytochrome Ba3 Oxidase From Thermus Thermophilus" . . . . . 99.21 166 100.00 100.00 1.71e-85 . . . . 18081 1 11 no PDB 3EH5 . "Structure Of The Reduced Form Of Cytochrome Ba3 Oxidase From Thermus Thermophilus" . . . . . 99.21 166 100.00 100.00 1.71e-85 . . . . 18081 1 12 no PDB 3QJQ . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 13 no PDB 3QJR . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 14 no PDB 3QJS . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.20e-85 . . . . 18081 1 15 no PDB 3QJT . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.20e-85 . . . . 18081 1 16 no PDB 3QJU . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 17 no PDB 3QJV . "The Structure Of And Photolytic Induced Changes Of Carbon Monoxide Binding To The Cytochrome Ba3-Oxidase From Thermus Thermophi" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 18 no PDB 3S33 . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 10s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 19 no PDB 3S38 . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 30s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 20 no PDB 3S39 . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 60s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 21 no PDB 3S3A . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 120s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 22 no PDB 3S3B . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 240s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 23 no PDB 3S3C . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 360s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 24 no PDB 3S3D . "Structure Of Thermus Thermophilus Cytochrome Ba3 Oxidase 480s After Xe Depressurization" . . . . . 99.21 166 100.00 100.00 1.88e-85 . . . . 18081 1 25 no PDB 3S8F . "1.8 A Structure Of Ba3 Cytochrome C Oxidase From Thermus Thermophilus In Lipid Environment" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 26 no PDB 3S8G . "1.8 A Structure Of Ba3 Cytochrome C Oxidase Mutant (A120f) From Thermus Thermophilus In Lipid Environment" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 27 no PDB 4FA7 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant A204f From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 28 no PDB 4FAA . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant A120f+a204f From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 29 no PDB 4G70 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236t From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 30 no PDB 4G71 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236n From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 31 no PDB 4G72 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236m From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 32 no PDB 4G7Q . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236l From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 33 no PDB 4G7R . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236a From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 34 no PDB 4G7S . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant V236i From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 35 no PDB 4GP4 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant Y133f From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 36 no PDB 4GP5 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant Y133w From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 37 no PDB 4GP8 . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant Y133w+t231f From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 38 no PDB 4N4Y . "Structure Of Recombinant Cytochrome Ba3 Oxidase Mutant G232v From Thermus Thermophilus" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 39 no DBJ BAD70957 . "ba3-type cytochrome c oxidase polypeptide II [Thermus thermophilus HB8]" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 40 no GB AAB00369 . "cytochrome oxidase II [Thermus thermophilus HB8]" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 41 no GB AAS81115 . "subunit II of C(O/B)3-type cytochrome c oxidase [Thermus thermophilus HB27]" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 42 no GB AFH38826 . "heme/copper-type cytochrome/quinol oxidase, subunit 2 [Thermus thermophilus JL-18]" . . . . . 99.21 168 99.20 99.20 7.70e-85 . . . . 18081 1 43 no REF WP_011173203 . "cytochrome c oxidase subunit 2 [Thermus thermophilus]" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 44 no REF WP_014629505 . "cytochrome C oxidase subunit II [Thermus thermophilus]" . . . . . 99.21 168 99.20 99.20 7.70e-85 . . . . 18081 1 45 no REF YP_144400 . "ba3-type cytochrome C oxidase polypeptide II [Thermus thermophilus HB8]" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 1 46 no SP P98052 . "RecName: Full=Cytochrome c oxidase subunit 2; AltName: Full=Cytochrome c ba(3) subunit II; AltName: Full=Cytochrome c oxidase p" . . . . . 99.21 135 100.00 100.00 4.54e-85 . . . . 18081 1 47 no SP Q5SJ80 . "RecName: Full=Cytochrome c oxidase subunit 2; AltName: Full=Cytochrome c ba(3) subunit II; AltName: Full=Cytochrome c oxidase p" . . . . . 99.21 168 100.00 100.00 1.39e-85 . . . . 18081 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 MET . 18081 1 2 2 VAL . 18081 1 3 3 ILE . 18081 1 4 4 PRO . 18081 1 5 5 ALA . 18081 1 6 6 GLY . 18081 1 7 7 LYS . 18081 1 8 8 LEU . 18081 1 9 9 GLU . 18081 1 10 10 ARG . 18081 1 11 11 VAL . 18081 1 12 12 ASP . 18081 1 13 13 PRO . 18081 1 14 14 THR . 18081 1 15 15 THR . 18081 1 16 16 VAL . 18081 1 17 17 ARG . 18081 1 18 18 GLN . 18081 1 19 19 GLU . 18081 1 20 20 GLY . 18081 1 21 21 PRO . 18081 1 22 22 TRP . 18081 1 23 23 ALA . 18081 1 24 24 ASP . 18081 1 25 25 PRO . 18081 1 26 26 ALA . 18081 1 27 27 GLN . 18081 1 28 28 ALA . 18081 1 29 29 VAL . 18081 1 30 30 VAL . 18081 1 31 31 GLN . 18081 1 32 32 THR . 18081 1 33 33 GLY . 18081 1 34 34 PRO . 18081 1 35 35 ASN . 18081 1 36 36 GLN . 18081 1 37 37 TYR . 18081 1 38 38 THR . 18081 1 39 39 VAL . 18081 1 40 40 TYR . 18081 1 41 41 VAL . 18081 1 42 42 LEU . 18081 1 43 43 ALA . 18081 1 44 44 PHE . 18081 1 45 45 ALA . 18081 1 46 46 PHE . 18081 1 47 47 GLY . 18081 1 48 48 TYR . 18081 1 49 49 GLN . 18081 1 50 50 PRO . 18081 1 51 51 ASN . 18081 1 52 52 PRO . 18081 1 53 53 ILE . 18081 1 54 54 GLU . 18081 1 55 55 VAL . 18081 1 56 56 PRO . 18081 1 57 57 GLN . 18081 1 58 58 GLY . 18081 1 59 59 ALA . 18081 1 60 60 GLU . 18081 1 61 61 ILE . 18081 1 62 62 VAL . 18081 1 63 63 PHE . 18081 1 64 64 LYS . 18081 1 65 65 ILE . 18081 1 66 66 THR . 18081 1 67 67 SER . 18081 1 68 68 PRO . 18081 1 69 69 ASP . 18081 1 70 70 VAL . 18081 1 71 71 ILE . 18081 1 72 72 HIS . 18081 1 73 73 GLY . 18081 1 74 74 PHE . 18081 1 75 75 HIS . 18081 1 76 76 VAL . 18081 1 77 77 GLU . 18081 1 78 78 GLY . 18081 1 79 79 THR . 18081 1 80 80 ASN . 18081 1 81 81 ILE . 18081 1 82 82 ASN . 18081 1 83 83 VAL . 18081 1 84 84 GLU . 18081 1 85 85 VAL . 18081 1 86 86 LEU . 18081 1 87 87 PRO . 18081 1 88 88 GLY . 18081 1 89 89 GLU . 18081 1 90 90 VAL . 18081 1 91 91 SER . 18081 1 92 92 THR . 18081 1 93 93 VAL . 18081 1 94 94 ARG . 18081 1 95 95 TYR . 18081 1 96 96 THR . 18081 1 97 97 PHE . 18081 1 98 98 LYS . 18081 1 99 99 ARG . 18081 1 100 100 PRO . 18081 1 101 101 GLY . 18081 1 102 102 GLU . 18081 1 103 103 TYR . 18081 1 104 104 ARG . 18081 1 105 105 ILE . 18081 1 106 106 ILE . 18081 1 107 107 CYS . 18081 1 108 108 ASN . 18081 1 109 109 GLN . 18081 1 110 110 TYR . 18081 1 111 111 CYS . 18081 1 112 112 GLY . 18081 1 113 113 LEU . 18081 1 114 114 GLY . 18081 1 115 115 HIS . 18081 1 116 116 GLN . 18081 1 117 117 ASN . 18081 1 118 118 MET . 18081 1 119 119 PHE . 18081 1 120 120 GLY . 18081 1 121 121 THR . 18081 1 122 122 ILE . 18081 1 123 123 VAL . 18081 1 124 124 VAL . 18081 1 125 125 LYS . 18081 1 126 126 GLU . 18081 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 18081 1 . VAL 2 2 18081 1 . ILE 3 3 18081 1 . PRO 4 4 18081 1 . ALA 5 5 18081 1 . GLY 6 6 18081 1 . LYS 7 7 18081 1 . LEU 8 8 18081 1 . GLU 9 9 18081 1 . ARG 10 10 18081 1 . VAL 11 11 18081 1 . ASP 12 12 18081 1 . PRO 13 13 18081 1 . THR 14 14 18081 1 . THR 15 15 18081 1 . VAL 16 16 18081 1 . ARG 17 17 18081 1 . GLN 18 18 18081 1 . GLU 19 19 18081 1 . GLY 20 20 18081 1 . PRO 21 21 18081 1 . TRP 22 22 18081 1 . ALA 23 23 18081 1 . ASP 24 24 18081 1 . PRO 25 25 18081 1 . ALA 26 26 18081 1 . GLN 27 27 18081 1 . ALA 28 28 18081 1 . VAL 29 29 18081 1 . VAL 30 30 18081 1 . GLN 31 31 18081 1 . THR 32 32 18081 1 . GLY 33 33 18081 1 . PRO 34 34 18081 1 . ASN 35 35 18081 1 . GLN 36 36 18081 1 . TYR 37 37 18081 1 . THR 38 38 18081 1 . VAL 39 39 18081 1 . TYR 40 40 18081 1 . VAL 41 41 18081 1 . LEU 42 42 18081 1 . ALA 43 43 18081 1 . PHE 44 44 18081 1 . ALA 45 45 18081 1 . PHE 46 46 18081 1 . GLY 47 47 18081 1 . TYR 48 48 18081 1 . GLN 49 49 18081 1 . PRO 50 50 18081 1 . ASN 51 51 18081 1 . PRO 52 52 18081 1 . ILE 53 53 18081 1 . GLU 54 54 18081 1 . VAL 55 55 18081 1 . PRO 56 56 18081 1 . GLN 57 57 18081 1 . GLY 58 58 18081 1 . ALA 59 59 18081 1 . GLU 60 60 18081 1 . ILE 61 61 18081 1 . VAL 62 62 18081 1 . PHE 63 63 18081 1 . LYS 64 64 18081 1 . ILE 65 65 18081 1 . THR 66 66 18081 1 . SER 67 67 18081 1 . PRO 68 68 18081 1 . ASP 69 69 18081 1 . VAL 70 70 18081 1 . ILE 71 71 18081 1 . HIS 72 72 18081 1 . GLY 73 73 18081 1 . PHE 74 74 18081 1 . HIS 75 75 18081 1 . VAL 76 76 18081 1 . GLU 77 77 18081 1 . GLY 78 78 18081 1 . THR 79 79 18081 1 . ASN 80 80 18081 1 . ILE 81 81 18081 1 . ASN 82 82 18081 1 . VAL 83 83 18081 1 . GLU 84 84 18081 1 . VAL 85 85 18081 1 . LEU 86 86 18081 1 . PRO 87 87 18081 1 . GLY 88 88 18081 1 . GLU 89 89 18081 1 . VAL 90 90 18081 1 . SER 91 91 18081 1 . THR 92 92 18081 1 . VAL 93 93 18081 1 . ARG 94 94 18081 1 . TYR 95 95 18081 1 . THR 96 96 18081 1 . PHE 97 97 18081 1 . LYS 98 98 18081 1 . ARG 99 99 18081 1 . PRO 100 100 18081 1 . GLY 101 101 18081 1 . GLU 102 102 18081 1 . TYR 103 103 18081 1 . ARG 104 104 18081 1 . ILE 105 105 18081 1 . ILE 106 106 18081 1 . CYS 107 107 18081 1 . ASN 108 108 18081 1 . GLN 109 109 18081 1 . TYR 110 110 18081 1 . CYS 111 111 18081 1 . GLY 112 112 18081 1 . LEU 113 113 18081 1 . GLY 114 114 18081 1 . HIS 115 115 18081 1 . GLN 116 116 18081 1 . ASN 117 117 18081 1 . MET 118 118 18081 1 . PHE 119 119 18081 1 . GLY 120 120 18081 1 . THR 121 121 18081 1 . ILE 122 122 18081 1 . VAL 123 123 18081 1 . VAL 124 124 18081 1 . LYS 125 125 18081 1 . GLU 126 126 18081 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 18081 _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 $apoCuA_polypeptide . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 18081 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 18081 _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 $apoCuA_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pET9aCuA . . . . . . 18081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18081 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM potassium phosphate pH 6, 2 mM DTT' _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 apoCuA_polypeptide '[U-99% 13C; U-99% 15N]' . . 1 $apoCuA_polypeptide . . . 0.8 1.0 mM . . . . 18081 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18081 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18081 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18081 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18081 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18081 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM potassium phosphate pH 6, 2 mM DTT' _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 apoCuA_polypeptide '[U-99% 15N]' . . 1 $apoCuA_polypeptide . . . 0.8 1.0 mM . . . . 18081 2 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18081 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18081 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18081 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18081 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18081 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM potassium phosphate pH 6, 2 mM DTT' _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 apoCuA_polypeptide 'natural abundance' . . 1 $apoCuA_polypeptide . . . 0.8 1.0 mM . . . . 18081 3 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 18081 3 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18081 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18081 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18081 3 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 18081 _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' 0.1 . M 18081 1 pH 6 . pH 18081 1 pressure 1 . atm 18081 1 temperature 298 . K 18081 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18081 _Sample_condition_list.ID 2 _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' 0.1 . M 18081 2 pH 6 . pH 18081 2 pressure 1 . atm 18081 2 temperature 298 . K 18081 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18081 _Sample_condition_list.ID 3 _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' 0.1 . M 18081 3 pH 6 . pH 18081 3 pressure 1 . atm 18081 3 temperature 298 . K 18081 3 stop_ save_ ############################ # Computer software used # ############################ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18081 _Software.ID 1 _Software.Name UNIO _Software.Version 2.0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Hermann' . . 18081 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18081 1 'peak picking' 18081 1 'structure solution' 18081 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18081 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18081 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18081 2 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18081 _Software.ID 3 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18081 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'constraints calculation' 18081 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18081 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18081 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18081 4 'data analysis' 18081 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18081 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18081 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18081 5 processing 18081 5 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 18081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18081 _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 . 600 . . . 18081 1 2 spectrometer_2 Bruker Avance . 900 . . . 18081 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 18081 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 10 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18081 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18081 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18081 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18081 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 18081 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm -2.74 na indirect 0.25144953 . . . . . . . . . 18081 1 H 1 DSS 'methyl protons' . . . . ppm -0.076 external direct 1.00 . . . . . . . . . 18081 1 N 15 DSS 'methyl protons' . . . . ppm -0.10 na indirect 0.10132911 . . . . . . . . . 18081 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 18081 _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' . . . 18081 1 2 '3D HNCO' . . . 18081 1 3 '3D HNCA' . . . 18081 1 4 '3D HNCACB' . . . 18081 1 5 '3D HN(CO)CA' . . . 18081 1 6 '3D HN(CA)CO' . . . 18081 1 7 '3D CBCA(CO)NH' . . . 18081 1 8 '3D HCCH-TOCSY' . . . 18081 1 9 '3D HBHA(CO)NH' . . . 18081 1 10 '3D HNHA' . . . 18081 1 11 '2D 1H-1H TOCSY' . . . 18081 1 12 '2D 1H-13C HSQC aliphatic' . . . 18081 1 13 '2D 1H-13C HSQC aromatic' . . . 18081 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 HB2 H 1 2.010 0.020 . 1 . . . A 1 MET HB2 . 18081 1 2 . 1 1 1 1 MET HB3 H 1 2.010 0.020 . 1 . . . A 1 MET HB3 . 18081 1 3 . 1 1 1 1 MET C C 13 176.970 0.3 . 1 . . . A 1 MET C . 18081 1 4 . 1 1 1 1 MET CA C 13 60.343 0.3 . 1 . . . A 1 MET CA . 18081 1 5 . 1 1 1 1 MET CB C 13 24.312 0.3 . 1 . . . A 1 MET CB . 18081 1 6 . 1 1 2 2 VAL H H 1 8.127 0.020 . 1 . . . A 2 VAL H . 18081 1 7 . 1 1 2 2 VAL HA H 1 4.026 0.020 . 1 . . . A 2 VAL HA . 18081 1 8 . 1 1 2 2 VAL HB H 1 1.959 0.020 . 1 . . . A 2 VAL HB . 18081 1 9 . 1 1 2 2 VAL HG11 H 1 0.924 0.020 . 1 . . . A 2 VAL HG11 . 18081 1 10 . 1 1 2 2 VAL HG12 H 1 0.924 0.020 . 1 . . . A 2 VAL HG12 . 18081 1 11 . 1 1 2 2 VAL HG13 H 1 0.924 0.020 . 1 . . . A 2 VAL HG13 . 18081 1 12 . 1 1 2 2 VAL HG21 H 1 0.885 0.020 . 1 . . . A 2 VAL HG21 . 18081 1 13 . 1 1 2 2 VAL HG22 H 1 0.885 0.020 . 1 . . . A 2 VAL HG22 . 18081 1 14 . 1 1 2 2 VAL HG23 H 1 0.885 0.020 . 1 . . . A 2 VAL HG23 . 18081 1 15 . 1 1 2 2 VAL C C 13 176.484 0.3 . 1 . . . A 2 VAL C . 18081 1 16 . 1 1 2 2 VAL CA C 13 62.568 0.3 . 1 . . . A 2 VAL CA . 18081 1 17 . 1 1 2 2 VAL CB C 13 32.391 0.3 . 1 . . . A 2 VAL CB . 18081 1 18 . 1 1 2 2 VAL CG1 C 13 20.642 0.3 . 1 . . . A 2 VAL CG1 . 18081 1 19 . 1 1 2 2 VAL CG2 C 13 20.642 0.3 . 1 . . . A 2 VAL CG2 . 18081 1 20 . 1 1 2 2 VAL N N 15 126.226 0.3 . 1 . . . A 2 VAL N . 18081 1 21 . 1 1 3 3 ILE H H 1 8.289 0.020 . 1 . . . A 3 ILE H . 18081 1 22 . 1 1 3 3 ILE HA H 1 4.495 0.020 . 1 . . . A 3 ILE HA . 18081 1 23 . 1 1 3 3 ILE HB H 1 1.838 0.020 . 1 . . . A 3 ILE HB . 18081 1 24 . 1 1 3 3 ILE HG12 H 1 1.522 0.020 . 2 . . . A 3 ILE HG12 . 18081 1 25 . 1 1 3 3 ILE HG13 H 1 1.196 0.020 . 2 . . . A 3 ILE HG13 . 18081 1 26 . 1 1 3 3 ILE HG21 H 1 0.950 0.020 . 1 . . . A 3 ILE HG21 . 18081 1 27 . 1 1 3 3 ILE HG22 H 1 0.950 0.020 . 1 . . . A 3 ILE HG22 . 18081 1 28 . 1 1 3 3 ILE HG23 H 1 0.950 0.020 . 1 . . . A 3 ILE HG23 . 18081 1 29 . 1 1 3 3 ILE HD11 H 1 0.861 0.020 . 1 . . . A 3 ILE HD11 . 18081 1 30 . 1 1 3 3 ILE HD12 H 1 0.861 0.020 . 1 . . . A 3 ILE HD12 . 18081 1 31 . 1 1 3 3 ILE HD13 H 1 0.861 0.020 . 1 . . . A 3 ILE HD13 . 18081 1 32 . 1 1 3 3 ILE C C 13 174.606 0.3 . 1 . . . A 3 ILE C . 18081 1 33 . 1 1 3 3 ILE CA C 13 58.385 0.3 . 1 . . . A 3 ILE CA . 18081 1 34 . 1 1 3 3 ILE CB C 13 38.521 0.3 . 1 . . . A 3 ILE CB . 18081 1 35 . 1 1 3 3 ILE CG1 C 13 26.752 0.3 . 1 . . . A 3 ILE CG1 . 18081 1 36 . 1 1 3 3 ILE CG2 C 13 16.759 0.3 . 1 . . . A 3 ILE CG2 . 18081 1 37 . 1 1 3 3 ILE CD1 C 13 12.209 0.3 . 1 . . . A 3 ILE CD1 . 18081 1 38 . 1 1 3 3 ILE N N 15 127.653 0.3 . 1 . . . A 3 ILE N . 18081 1 39 . 1 1 4 4 PRO HA H 1 4.373 0.020 . 1 . . . A 4 PRO HA . 18081 1 40 . 1 1 4 4 PRO HB2 H 1 1.905 0.020 . 2 . . . A 4 PRO HB2 . 18081 1 41 . 1 1 4 4 PRO HB3 H 1 2.291 0.020 . 2 . . . A 4 PRO HB3 . 18081 1 42 . 1 1 4 4 PRO HG2 H 1 2.045 0.020 . 2 . . . A 4 PRO HG2 . 18081 1 43 . 1 1 4 4 PRO HG3 H 1 1.977 0.020 . 2 . . . A 4 PRO HG3 . 18081 1 44 . 1 1 4 4 PRO HD2 H 1 3.932 0.020 . 2 . . . A 4 PRO HD2 . 18081 1 45 . 1 1 4 4 PRO HD3 H 1 3.682 0.020 . 2 . . . A 4 PRO HD3 . 18081 1 46 . 1 1 4 4 PRO C C 13 176.585 0.3 . 1 . . . A 4 PRO C . 18081 1 47 . 1 1 4 4 PRO CA C 13 63.190 0.3 . 1 . . . A 4 PRO CA . 18081 1 48 . 1 1 4 4 PRO CB C 13 31.964 0.3 . 1 . . . A 4 PRO CB . 18081 1 49 . 1 1 4 4 PRO CG C 13 27.116 0.3 . 1 . . . A 4 PRO CG . 18081 1 50 . 1 1 4 4 PRO CD C 13 50.862 0.3 . 1 . . . A 4 PRO CD . 18081 1 51 . 1 1 5 5 ALA H H 1 8.377 0.020 . 1 . . . A 5 ALA H . 18081 1 52 . 1 1 5 5 ALA HA H 1 4.287 0.020 . 1 . . . A 5 ALA HA . 18081 1 53 . 1 1 5 5 ALA HB1 H 1 1.405 0.020 . 1 . . . A 5 ALA HB1 . 18081 1 54 . 1 1 5 5 ALA HB2 H 1 1.405 0.020 . 1 . . . A 5 ALA HB2 . 18081 1 55 . 1 1 5 5 ALA HB3 H 1 1.405 0.020 . 1 . . . A 5 ALA HB3 . 18081 1 56 . 1 1 5 5 ALA C C 13 178.454 0.3 . 1 . . . A 5 ALA C . 18081 1 57 . 1 1 5 5 ALA CA C 13 52.735 0.3 . 1 . . . A 5 ALA CA . 18081 1 58 . 1 1 5 5 ALA CB C 13 19.043 0.3 . 1 . . . A 5 ALA CB . 18081 1 59 . 1 1 5 5 ALA N N 15 125.192 0.3 . 1 . . . A 5 ALA N . 18081 1 60 . 1 1 6 6 GLY H H 1 8.378 0.020 . 1 . . . A 6 GLY H . 18081 1 61 . 1 1 6 6 GLY HA2 H 1 3.938 0.020 . 1 . . . A 6 GLY HA2 . 18081 1 62 . 1 1 6 6 GLY HA3 H 1 3.938 0.020 . 1 . . . A 6 GLY HA3 . 18081 1 63 . 1 1 6 6 GLY C C 13 173.996 0.3 . 1 . . . A 6 GLY C . 18081 1 64 . 1 1 6 6 GLY CA C 13 45.171 0.3 . 1 . . . A 6 GLY CA . 18081 1 65 . 1 1 6 6 GLY N N 15 108.626 0.3 . 1 . . . A 6 GLY N . 18081 1 66 . 1 1 7 7 LYS H H 1 8.151 0.020 . 1 . . . A 7 LYS H . 18081 1 67 . 1 1 7 7 LYS HA H 1 4.329 0.020 . 1 . . . A 7 LYS HA . 18081 1 68 . 1 1 7 7 LYS HB2 H 1 1.786 0.020 . 1 . . . A 7 LYS HB2 . 18081 1 69 . 1 1 7 7 LYS HB3 H 1 1.786 0.020 . 1 . . . A 7 LYS HB3 . 18081 1 70 . 1 1 7 7 LYS HG2 H 1 1.405 0.020 . 1 . . . A 7 LYS HG2 . 18081 1 71 . 1 1 7 7 LYS HG3 H 1 1.405 0.020 . 1 . . . A 7 LYS HG3 . 18081 1 72 . 1 1 7 7 LYS HD2 H 1 1.675 0.020 . 1 . . . A 7 LYS HD2 . 18081 1 73 . 1 1 7 7 LYS HD3 H 1 1.675 0.020 . 1 . . . A 7 LYS HD3 . 18081 1 74 . 1 1 7 7 LYS HE2 H 1 2.994 0.020 . 1 . . . A 7 LYS HE2 . 18081 1 75 . 1 1 7 7 LYS HE3 H 1 2.994 0.020 . 1 . . . A 7 LYS HE3 . 18081 1 76 . 1 1 7 7 LYS C C 13 176.362 0.3 . 1 . . . A 7 LYS C . 18081 1 77 . 1 1 7 7 LYS CA C 13 56.116 0.3 . 1 . . . A 7 LYS CA . 18081 1 78 . 1 1 7 7 LYS CB C 13 32.984 0.3 . 1 . . . A 7 LYS CB . 18081 1 79 . 1 1 7 7 LYS CG C 13 24.489 0.3 . 1 . . . A 7 LYS CG . 18081 1 80 . 1 1 7 7 LYS CD C 13 28.811 0.3 . 1 . . . A 7 LYS CD . 18081 1 81 . 1 1 7 7 LYS CE C 13 42.063 0.3 . 1 . . . A 7 LYS CE . 18081 1 82 . 1 1 7 7 LYS N N 15 121.339 0.3 . 1 . . . A 7 LYS N . 18081 1 83 . 1 1 8 8 LEU H H 1 8.222 0.020 . 1 . . . A 8 LEU H . 18081 1 84 . 1 1 8 8 LEU HA H 1 4.391 0.020 . 1 . . . A 8 LEU HA . 18081 1 85 . 1 1 8 8 LEU HB2 H 1 1.623 0.020 . 1 . . . A 8 LEU HB2 . 18081 1 86 . 1 1 8 8 LEU HB3 H 1 1.623 0.020 . 1 . . . A 8 LEU HB3 . 18081 1 87 . 1 1 8 8 LEU HG H 1 1.610 0.020 . 1 . . . A 8 LEU HG . 18081 1 88 . 1 1 8 8 LEU HD11 H 1 0.909 0.020 . 1 . . . A 8 LEU HD11 . 18081 1 89 . 1 1 8 8 LEU HD12 H 1 0.909 0.020 . 1 . . . A 8 LEU HD12 . 18081 1 90 . 1 1 8 8 LEU HD13 H 1 0.909 0.020 . 1 . . . A 8 LEU HD13 . 18081 1 91 . 1 1 8 8 LEU C C 13 176.772 0.3 . 1 . . . A 8 LEU C . 18081 1 92 . 1 1 8 8 LEU CA C 13 55.182 0.3 . 1 . . . A 8 LEU CA . 18081 1 93 . 1 1 8 8 LEU CB C 13 42.475 0.3 . 1 . . . A 8 LEU CB . 18081 1 94 . 1 1 8 8 LEU CG C 13 26.805 0.3 . 1 . . . A 8 LEU CG . 18081 1 95 . 1 1 8 8 LEU CD1 C 13 24.105 0.3 . 1 . . . A 8 LEU CD1 . 18081 1 96 . 1 1 8 8 LEU N N 15 124.327 0.3 . 1 . . . A 8 LEU N . 18081 1 97 . 1 1 9 9 GLU H H 1 8.679 0.020 . 1 . . . A 9 GLU H . 18081 1 98 . 1 1 9 9 GLU HA H 1 4.390 0.020 . 1 . . . A 9 GLU HA . 18081 1 99 . 1 1 9 9 GLU HB2 H 1 2.093 0.020 . 1 . . . A 9 GLU HB2 . 18081 1 100 . 1 1 9 9 GLU HB3 H 1 2.093 0.020 . 1 . . . A 9 GLU HB3 . 18081 1 101 . 1 1 9 9 GLU HG2 H 1 2.186 0.020 . 2 . . . A 9 GLU HG2 . 18081 1 102 . 1 1 9 9 GLU HG3 H 1 2.332 0.020 . 2 . . . A 9 GLU HG3 . 18081 1 103 . 1 1 9 9 GLU C C 13 174.919 0.3 . 1 . . . A 9 GLU C . 18081 1 104 . 1 1 9 9 GLU CA C 13 56.472 0.3 . 1 . . . A 9 GLU CA . 18081 1 105 . 1 1 9 9 GLU CB C 13 30.611 0.3 . 1 . . . A 9 GLU CB . 18081 1 106 . 1 1 9 9 GLU CG C 13 36.261 0.3 . 1 . . . A 9 GLU CG . 18081 1 107 . 1 1 9 9 GLU N N 15 124.888 0.3 . 1 . . . A 9 GLU N . 18081 1 108 . 1 1 10 10 ARG H H 1 8.248 0.020 . 1 . . . A 10 ARG H . 18081 1 109 . 1 1 10 10 ARG HA H 1 4.972 0.020 . 1 . . . A 10 ARG HA . 18081 1 110 . 1 1 10 10 ARG HB2 H 1 1.861 0.020 . 2 . . . A 10 ARG HB2 . 18081 1 111 . 1 1 10 10 ARG HB3 H 1 1.708 0.020 . 2 . . . A 10 ARG HB3 . 18081 1 112 . 1 1 10 10 ARG HG2 H 1 1.619 0.020 . 1 . . . A 10 ARG HG2 . 18081 1 113 . 1 1 10 10 ARG HG3 H 1 1.619 0.020 . 1 . . . A 10 ARG HG3 . 18081 1 114 . 1 1 10 10 ARG HD2 H 1 3.211 0.020 . 1 . . . A 10 ARG HD2 . 18081 1 115 . 1 1 10 10 ARG HD3 H 1 3.211 0.020 . 1 . . . A 10 ARG HD3 . 18081 1 116 . 1 1 10 10 ARG C C 13 175.727 0.3 . 1 . . . A 10 ARG C . 18081 1 117 . 1 1 10 10 ARG CA C 13 55.085 0.3 . 1 . . . A 10 ARG CA . 18081 1 118 . 1 1 10 10 ARG CB C 13 32.545 0.3 . 1 . . . A 10 ARG CB . 18081 1 119 . 1 1 10 10 ARG CG C 13 27.321 0.3 . 1 . . . A 10 ARG CG . 18081 1 120 . 1 1 10 10 ARG CD C 13 43.083 0.3 . 1 . . . A 10 ARG CD . 18081 1 121 . 1 1 10 10 ARG N N 15 123.557 0.3 . 1 . . . A 10 ARG N . 18081 1 122 . 1 1 11 11 VAL H H 1 8.039 0.020 . 1 . . . A 11 VAL H . 18081 1 123 . 1 1 11 11 VAL HA H 1 4.380 0.020 . 1 . . . A 11 VAL HA . 18081 1 124 . 1 1 11 11 VAL HB H 1 1.830 0.020 . 1 . . . A 11 VAL HB . 18081 1 125 . 1 1 11 11 VAL HG11 H 1 0.607 0.020 . 1 . . . A 11 VAL HG11 . 18081 1 126 . 1 1 11 11 VAL HG12 H 1 0.607 0.020 . 1 . . . A 11 VAL HG12 . 18081 1 127 . 1 1 11 11 VAL HG13 H 1 0.607 0.020 . 1 . . . A 11 VAL HG13 . 18081 1 128 . 1 1 11 11 VAL HG21 H 1 0.427 0.020 . 1 . . . A 11 VAL HG21 . 18081 1 129 . 1 1 11 11 VAL HG22 H 1 0.427 0.020 . 1 . . . A 11 VAL HG22 . 18081 1 130 . 1 1 11 11 VAL HG23 H 1 0.427 0.020 . 1 . . . A 11 VAL HG23 . 18081 1 131 . 1 1 11 11 VAL C C 13 173.297 0.3 . 1 . . . A 11 VAL C . 18081 1 132 . 1 1 11 11 VAL CA C 13 59.586 0.3 . 1 . . . A 11 VAL CA . 18081 1 133 . 1 1 11 11 VAL CB C 13 34.763 0.3 . 1 . . . A 11 VAL CB . 18081 1 134 . 1 1 11 11 VAL CG1 C 13 21.335 0.3 . 1 . . . A 11 VAL CG1 . 18081 1 135 . 1 1 11 11 VAL CG2 C 13 19.201 0.3 . 1 . . . A 11 VAL CG2 . 18081 1 136 . 1 1 11 11 VAL N N 15 118.077 0.3 . 1 . . . A 11 VAL N . 18081 1 137 . 1 1 12 12 ASP H H 1 8.313 0.020 . 1 . . . A 12 ASP H . 18081 1 138 . 1 1 12 12 ASP HA H 1 4.951 0.020 . 1 . . . A 12 ASP HA . 18081 1 139 . 1 1 12 12 ASP HB2 H 1 2.500 0.020 . 1 . . . A 12 ASP HB2 . 18081 1 140 . 1 1 12 12 ASP CA C 13 50.599 0.3 . 1 . . . A 12 ASP CA . 18081 1 141 . 1 1 12 12 ASP CB C 13 41.388 0.3 . 1 . . . A 12 ASP CB . 18081 1 142 . 1 1 12 12 ASP N N 15 123.786 0.3 . 1 . . . A 12 ASP N . 18081 1 143 . 1 1 13 13 PRO C C 13 177.705 0.3 . 1 . . . A 13 PRO C . 18081 1 144 . 1 1 13 13 PRO CA C 13 64.739 0.3 . 1 . . . A 13 PRO CA . 18081 1 145 . 1 1 13 13 PRO CB C 13 31.622 0.3 . 1 . . . A 13 PRO CB . 18081 1 146 . 1 1 14 14 THR H H 1 8.413 0.020 . 1 . . . A 14 THR H . 18081 1 147 . 1 1 14 14 THR HA H 1 4.252 0.020 . 1 . . . A 14 THR HA . 18081 1 148 . 1 1 14 14 THR HB H 1 4.272 0.020 . 1 . . . A 14 THR HB . 18081 1 149 . 1 1 14 14 THR HG21 H 1 1.303 0.020 . 1 . . . A 14 THR HG21 . 18081 1 150 . 1 1 14 14 THR HG22 H 1 1.303 0.020 . 1 . . . A 14 THR HG22 . 18081 1 151 . 1 1 14 14 THR HG23 H 1 1.303 0.020 . 1 . . . A 14 THR HG23 . 18081 1 152 . 1 1 14 14 THR C C 13 176.733 0.3 . 1 . . . A 14 THR C . 18081 1 153 . 1 1 14 14 THR CA C 13 63.996 0.3 . 1 . . . A 14 THR CA . 18081 1 154 . 1 1 14 14 THR CB C 13 69.270 0.3 . 1 . . . A 14 THR CB . 18081 1 155 . 1 1 14 14 THR CG2 C 13 21.633 0.3 . 1 . . . A 14 THR CG2 . 18081 1 156 . 1 1 14 14 THR N N 15 109.188 0.3 . 1 . . . A 14 THR N . 18081 1 157 . 1 1 15 15 THR H H 1 7.413 0.020 . 1 . . . A 15 THR H . 18081 1 158 . 1 1 15 15 THR HA H 1 4.733 0.020 . 1 . . . A 15 THR HA . 18081 1 159 . 1 1 15 15 THR HB H 1 4.541 0.020 . 1 . . . A 15 THR HB . 18081 1 160 . 1 1 15 15 THR HG21 H 1 1.080 0.020 . 1 . . . A 15 THR HG21 . 18081 1 161 . 1 1 15 15 THR HG22 H 1 1.080 0.020 . 1 . . . A 15 THR HG22 . 18081 1 162 . 1 1 15 15 THR HG23 H 1 1.080 0.020 . 1 . . . A 15 THR HG23 . 18081 1 163 . 1 1 15 15 THR C C 13 177.174 0.3 . 1 . . . A 15 THR C . 18081 1 164 . 1 1 15 15 THR CA C 13 61.589 0.3 . 1 . . . A 15 THR CA . 18081 1 165 . 1 1 15 15 THR CB C 13 70.654 0.3 . 1 . . . A 15 THR CB . 18081 1 166 . 1 1 15 15 THR CG2 C 13 21.008 0.3 . 1 . . . A 15 THR CG2 . 18081 1 167 . 1 1 15 15 THR N N 15 108.904 0.3 . 1 . . . A 15 THR N . 18081 1 168 . 1 1 16 16 VAL H H 1 7.084 0.020 . 1 . . . A 16 VAL H . 18081 1 169 . 1 1 16 16 VAL HA H 1 4.198 0.020 . 1 . . . A 16 VAL HA . 18081 1 170 . 1 1 16 16 VAL HB H 1 2.058 0.020 . 1 . . . A 16 VAL HB . 18081 1 171 . 1 1 16 16 VAL HG11 H 1 0.801 0.020 . 1 . . . A 16 VAL HG11 . 18081 1 172 . 1 1 16 16 VAL HG12 H 1 0.801 0.020 . 1 . . . A 16 VAL HG12 . 18081 1 173 . 1 1 16 16 VAL HG13 H 1 0.801 0.020 . 1 . . . A 16 VAL HG13 . 18081 1 174 . 1 1 16 16 VAL HG21 H 1 0.707 0.020 . 1 . . . A 16 VAL HG21 . 18081 1 175 . 1 1 16 16 VAL HG22 H 1 0.707 0.020 . 1 . . . A 16 VAL HG22 . 18081 1 176 . 1 1 16 16 VAL HG23 H 1 0.707 0.020 . 1 . . . A 16 VAL HG23 . 18081 1 177 . 1 1 16 16 VAL C C 13 175.683 0.3 . 1 . . . A 16 VAL C . 18081 1 178 . 1 1 16 16 VAL CA C 13 64.452 0.3 . 1 . . . A 16 VAL CA . 18081 1 179 . 1 1 16 16 VAL CB C 13 31.501 0.3 . 1 . . . A 16 VAL CB . 18081 1 180 . 1 1 16 16 VAL CG1 C 13 21.359 0.3 . 1 . . . A 16 VAL CG1 . 18081 1 181 . 1 1 16 16 VAL CG2 C 13 21.359 0.3 . 1 . . . A 16 VAL CG2 . 18081 1 182 . 1 1 16 16 VAL N N 15 122.147 0.3 . 1 . . . A 16 VAL N . 18081 1 183 . 1 1 17 17 ARG H H 1 8.227 0.020 . 1 . . . A 17 ARG H . 18081 1 184 . 1 1 17 17 ARG HA H 1 4.271 0.020 . 1 . . . A 17 ARG HA . 18081 1 185 . 1 1 17 17 ARG HB2 H 1 1.549 0.020 . 2 . . . A 17 ARG HB2 . 18081 1 186 . 1 1 17 17 ARG HB3 H 1 1.880 0.020 . 2 . . . A 17 ARG HB3 . 18081 1 187 . 1 1 17 17 ARG HG2 H 1 1.390 0.020 . 1 . . . A 17 ARG HG2 . 18081 1 188 . 1 1 17 17 ARG HG3 H 1 1.390 0.020 . 1 . . . A 17 ARG HG3 . 18081 1 189 . 1 1 17 17 ARG HD2 H 1 2.958 0.020 . 1 . . . A 17 ARG HD2 . 18081 1 190 . 1 1 17 17 ARG HD3 H 1 2.958 0.020 . 1 . . . A 17 ARG HD3 . 18081 1 191 . 1 1 17 17 ARG C C 13 175.861 0.3 . 1 . . . A 17 ARG C . 18081 1 192 . 1 1 17 17 ARG CA C 13 57.050 0.3 . 1 . . . A 17 ARG CA . 18081 1 193 . 1 1 17 17 ARG CB C 13 30.026 0.3 . 1 . . . A 17 ARG CB . 18081 1 194 . 1 1 17 17 ARG CG C 13 28.625 0.3 . 1 . . . A 17 ARG CG . 18081 1 195 . 1 1 17 17 ARG CD C 13 43.611 0.3 . 1 . . . A 17 ARG CD . 18081 1 196 . 1 1 17 17 ARG N N 15 115.917 0.3 . 1 . . . A 17 ARG N . 18081 1 197 . 1 1 18 18 GLN H H 1 7.765 0.020 . 1 . . . A 18 GLN H . 18081 1 198 . 1 1 18 18 GLN HA H 1 4.399 0.020 . 1 . . . A 18 GLN HA . 18081 1 199 . 1 1 18 18 GLN HB2 H 1 2.081 0.020 . 1 . . . A 18 GLN HB2 . 18081 1 200 . 1 1 18 18 GLN HB3 H 1 2.081 0.020 . 1 . . . A 18 GLN HB3 . 18081 1 201 . 1 1 18 18 GLN HG2 H 1 2.389 0.020 . 2 . . . A 18 GLN HG2 . 18081 1 202 . 1 1 18 18 GLN HG3 H 1 2.271 0.020 . 2 . . . A 18 GLN HG3 . 18081 1 203 . 1 1 18 18 GLN HE21 H 1 6.717 0.020 . 1 . . . A 18 GLN HE21 . 18081 1 204 . 1 1 18 18 GLN HE22 H 1 7.486 0.020 . 1 . . . A 18 GLN HE22 . 18081 1 205 . 1 1 18 18 GLN C C 13 175.506 0.3 . 1 . . . A 18 GLN C . 18081 1 206 . 1 1 18 18 GLN CA C 13 57.139 0.3 . 1 . . . A 18 GLN CA . 18081 1 207 . 1 1 18 18 GLN CB C 13 30.809 0.3 . 1 . . . A 18 GLN CB . 18081 1 208 . 1 1 18 18 GLN CG C 13 34.065 0.3 . 1 . . . A 18 GLN CG . 18081 1 209 . 1 1 18 18 GLN CD C 13 179.951 0.3 . 1 . . . A 18 GLN CD . 18081 1 210 . 1 1 18 18 GLN N N 15 117.044 0.3 . 1 . . . A 18 GLN N . 18081 1 211 . 1 1 18 18 GLN NE2 N 15 111.815 0.3 . 1 . . . A 18 GLN NE2 . 18081 1 212 . 1 1 19 19 GLU H H 1 8.070 0.020 . 1 . . . A 19 GLU H . 18081 1 213 . 1 1 19 19 GLU HA H 1 4.559 0.020 . 1 . . . A 19 GLU HA . 18081 1 214 . 1 1 19 19 GLU HB2 H 1 2.022 0.020 . 2 . . . A 19 GLU HB2 . 18081 1 215 . 1 1 19 19 GLU HB3 H 1 1.908 0.020 . 2 . . . A 19 GLU HB3 . 18081 1 216 . 1 1 19 19 GLU HG2 H 1 2.197 0.020 . 2 . . . A 19 GLU HG2 . 18081 1 217 . 1 1 19 19 GLU HG3 H 1 2.156 0.020 . 2 . . . A 19 GLU HG3 . 18081 1 218 . 1 1 19 19 GLU C C 13 175.081 0.3 . 1 . . . A 19 GLU C . 18081 1 219 . 1 1 19 19 GLU CA C 13 55.182 0.3 . 1 . . . A 19 GLU CA . 18081 1 220 . 1 1 19 19 GLU CB C 13 32.391 0.3 . 1 . . . A 19 GLU CB . 18081 1 221 . 1 1 19 19 GLU CG C 13 35.277 0.3 . 1 . . . A 19 GLU CG . 18081 1 222 . 1 1 19 19 GLU N N 15 118.659 0.3 . 1 . . . A 19 GLU N . 18081 1 223 . 1 1 20 20 GLY H H 1 8.933 0.020 . 1 . . . A 20 GLY H . 18081 1 224 . 1 1 20 20 GLY HA2 H 1 3.771 0.020 . 2 . . . A 20 GLY HA2 . 18081 1 225 . 1 1 20 20 GLY HA3 H 1 4.689 0.020 . 2 . . . A 20 GLY HA3 . 18081 1 226 . 1 1 20 20 GLY C C 13 174.150 0.3 . 1 . . . A 20 GLY C . 18081 1 227 . 1 1 20 20 GLY CA C 13 44.548 0.3 . 1 . . . A 20 GLY CA . 18081 1 228 . 1 1 20 20 GLY N N 15 113.694 0.3 . 1 . . . A 20 GLY N . 18081 1 229 . 1 1 21 21 PRO HA H 1 3.673 0.020 . 1 . . . A 21 PRO HA . 18081 1 230 . 1 1 21 21 PRO HB2 H 1 -0.308 0.020 . 2 . . . A 21 PRO HB2 . 18081 1 231 . 1 1 21 21 PRO HB3 H 1 0.649 0.020 . 2 . . . A 21 PRO HB3 . 18081 1 232 . 1 1 21 21 PRO HG2 H 1 1.315 0.020 . 2 . . . A 21 PRO HG2 . 18081 1 233 . 1 1 21 21 PRO HG3 H 1 1.039 0.020 . 2 . . . A 21 PRO HG3 . 18081 1 234 . 1 1 21 21 PRO HD2 H 1 3.625 0.020 . 2 . . . A 21 PRO HD2 . 18081 1 235 . 1 1 21 21 PRO HD3 H 1 3.451 0.020 . 2 . . . A 21 PRO HD3 . 18081 1 236 . 1 1 21 21 PRO C C 13 176.703 0.3 . 1 . . . A 21 PRO C . 18081 1 237 . 1 1 21 21 PRO CA C 13 64.881 0.3 . 1 . . . A 21 PRO CA . 18081 1 238 . 1 1 21 21 PRO CB C 13 30.037 0.3 . 1 . . . A 21 PRO CB . 18081 1 239 . 1 1 21 21 PRO CG C 13 26.594 0.3 . 1 . . . A 21 PRO CG . 18081 1 240 . 1 1 21 21 PRO CD C 13 49.487 0.3 . 1 . . . A 21 PRO CD . 18081 1 241 . 1 1 22 22 TRP H H 1 8.759 0.020 . 1 . . . A 22 TRP H . 18081 1 242 . 1 1 22 22 TRP HA H 1 4.315 0.020 . 1 . . . A 22 TRP HA . 18081 1 243 . 1 1 22 22 TRP HB2 H 1 3.244 0.020 . 2 . . . A 22 TRP HB2 . 18081 1 244 . 1 1 22 22 TRP HB3 H 1 2.946 0.020 . 2 . . . A 22 TRP HB3 . 18081 1 245 . 1 1 22 22 TRP HD1 H 1 6.787 0.020 . 1 . . . A 22 TRP HD1 . 18081 1 246 . 1 1 22 22 TRP HE1 H 1 9.600 0.020 . 1 . . . A 22 TRP HE1 . 18081 1 247 . 1 1 22 22 TRP HE3 H 1 7.930 0.020 . 1 . . . A 22 TRP HE3 . 18081 1 248 . 1 1 22 22 TRP HZ2 H 1 7.010 0.020 . 1 . . . A 22 TRP HZ2 . 18081 1 249 . 1 1 22 22 TRP HZ3 H 1 7.050 0.020 . 1 . . . A 22 TRP HZ3 . 18081 1 250 . 1 1 22 22 TRP HH2 H 1 7.150 0.020 . 1 . . . A 22 TRP HH2 . 18081 1 251 . 1 1 22 22 TRP C C 13 174.965 0.3 . 1 . . . A 22 TRP C . 18081 1 252 . 1 1 22 22 TRP CA C 13 60.521 0.3 . 1 . . . A 22 TRP CA . 18081 1 253 . 1 1 22 22 TRP CB C 13 29.271 0.3 . 1 . . . A 22 TRP CB . 18081 1 254 . 1 1 22 22 TRP N N 15 117.898 0.3 . 1 . . . A 22 TRP N . 18081 1 255 . 1 1 23 23 ALA H H 1 7.232 0.020 . 1 . . . A 23 ALA H . 18081 1 256 . 1 1 23 23 ALA HA H 1 3.924 0.020 . 1 . . . A 23 ALA HA . 18081 1 257 . 1 1 23 23 ALA HB1 H 1 1.038 0.020 . 1 . . . A 23 ALA HB1 . 18081 1 258 . 1 1 23 23 ALA HB2 H 1 1.038 0.020 . 1 . . . A 23 ALA HB2 . 18081 1 259 . 1 1 23 23 ALA HB3 H 1 1.038 0.020 . 1 . . . A 23 ALA HB3 . 18081 1 260 . 1 1 23 23 ALA C C 13 177.520 0.3 . 1 . . . A 23 ALA C . 18081 1 261 . 1 1 23 23 ALA CA C 13 54.781 0.3 . 1 . . . A 23 ALA CA . 18081 1 262 . 1 1 23 23 ALA CB C 13 18.548 0.3 . 1 . . . A 23 ALA CB . 18081 1 263 . 1 1 23 23 ALA N N 15 120.887 0.3 . 1 . . . A 23 ALA N . 18081 1 264 . 1 1 24 24 ASP H H 1 7.718 0.020 . 1 . . . A 24 ASP H . 18081 1 265 . 1 1 24 24 ASP HA H 1 5.186 0.020 . 1 . . . A 24 ASP HA . 18081 1 266 . 1 1 24 24 ASP HB2 H 1 2.787 0.020 . 2 . . . A 24 ASP HB2 . 18081 1 267 . 1 1 24 24 ASP HB3 H 1 2.405 0.020 . 2 . . . A 24 ASP HB3 . 18081 1 268 . 1 1 24 24 ASP C C 13 176.860 0.3 . 1 . . . A 24 ASP C . 18081 1 269 . 1 1 24 24 ASP CA C 13 49.620 0.3 . 1 . . . A 24 ASP CA . 18081 1 270 . 1 1 24 24 ASP CB C 13 41.487 0.3 . 1 . . . A 24 ASP CB . 18081 1 271 . 1 1 24 24 ASP N N 15 115.176 0.3 . 1 . . . A 24 ASP N . 18081 1 272 . 1 1 25 25 PRO HA H 1 4.299 0.020 . 1 . . . A 25 PRO HA . 18081 1 273 . 1 1 25 25 PRO HB2 H 1 2.190 0.020 . 1 . . . A 25 PRO HB2 . 18081 1 274 . 1 1 25 25 PRO HB3 H 1 2.190 0.020 . 1 . . . A 25 PRO HB3 . 18081 1 275 . 1 1 25 25 PRO HG2 H 1 2.120 0.020 . 1 . . . A 25 PRO HG2 . 18081 1 276 . 1 1 25 25 PRO HG3 H 1 2.120 0.020 . 1 . . . A 25 PRO HG3 . 18081 1 277 . 1 1 25 25 PRO HD2 H 1 4.125 0.020 . 2 . . . A 25 PRO HD2 . 18081 1 278 . 1 1 25 25 PRO HD3 H 1 4.038 0.020 . 2 . . . A 25 PRO HD3 . 18081 1 279 . 1 1 25 25 PRO C C 13 177.445 0.3 . 1 . . . A 25 PRO C . 18081 1 280 . 1 1 25 25 PRO CA C 13 64.481 0.3 . 1 . . . A 25 PRO CA . 18081 1 281 . 1 1 25 25 PRO CB C 13 31.896 0.3 . 1 . . . A 25 PRO CB . 18081 1 282 . 1 1 25 25 PRO CG C 13 26.562 0.3 . 1 . . . A 25 PRO CG . 18081 1 283 . 1 1 25 25 PRO CD C 13 51.041 0.3 . 1 . . . A 25 PRO CD . 18081 1 284 . 1 1 26 26 ALA H H 1 8.158 0.020 . 1 . . . A 26 ALA H . 18081 1 285 . 1 1 26 26 ALA HA H 1 4.305 0.020 . 1 . . . A 26 ALA HA . 18081 1 286 . 1 1 26 26 ALA HB1 H 1 1.517 0.020 . 1 . . . A 26 ALA HB1 . 18081 1 287 . 1 1 26 26 ALA HB2 H 1 1.517 0.020 . 1 . . . A 26 ALA HB2 . 18081 1 288 . 1 1 26 26 ALA HB3 H 1 1.517 0.020 . 1 . . . A 26 ALA HB3 . 18081 1 289 . 1 1 26 26 ALA C C 13 179.061 0.3 . 1 . . . A 26 ALA C . 18081 1 290 . 1 1 26 26 ALA CA C 13 53.847 0.3 . 1 . . . A 26 ALA CA . 18081 1 291 . 1 1 26 26 ALA CB C 13 18.252 0.3 . 1 . . . A 26 ALA CB . 18081 1 292 . 1 1 26 26 ALA N N 15 120.150 0.3 . 1 . . . A 26 ALA N . 18081 1 293 . 1 1 27 27 GLN H H 1 7.732 0.020 . 1 . . . A 27 GLN H . 18081 1 294 . 1 1 27 27 GLN HA H 1 4.695 0.020 . 1 . . . A 27 GLN HA . 18081 1 295 . 1 1 27 27 GLN HB2 H 1 2.467 0.020 . 2 . . . A 27 GLN HB2 . 18081 1 296 . 1 1 27 27 GLN HB3 H 1 1.672 0.020 . 2 . . . A 27 GLN HB3 . 18081 1 297 . 1 1 27 27 GLN HG2 H 1 2.247 0.020 . 2 . . . A 27 GLN HG2 . 18081 1 298 . 1 1 27 27 GLN HG3 H 1 2.113 0.020 . 2 . . . A 27 GLN HG3 . 18081 1 299 . 1 1 27 27 GLN HE21 H 1 6.745 0.020 . 1 . . . A 27 GLN HE21 . 18081 1 300 . 1 1 27 27 GLN HE22 H 1 7.815 0.020 . 1 . . . A 27 GLN HE22 . 18081 1 301 . 1 1 27 27 GLN C C 13 175.309 0.3 . 1 . . . A 27 GLN C . 18081 1 302 . 1 1 27 27 GLN CA C 13 54.258 0.3 . 1 . . . A 27 GLN CA . 18081 1 303 . 1 1 27 27 GLN CB C 13 28.732 0.3 . 1 . . . A 27 GLN CB . 18081 1 304 . 1 1 27 27 GLN CG C 13 33.496 0.3 . 1 . . . A 27 GLN CG . 18081 1 305 . 1 1 27 27 GLN CD C 13 180.573 0.3 . 1 . . . A 27 GLN CD . 18081 1 306 . 1 1 27 27 GLN N N 15 117.617 0.3 . 1 . . . A 27 GLN N . 18081 1 307 . 1 1 27 27 GLN NE2 N 15 113.240 0.3 . 1 . . . A 27 GLN NE2 . 18081 1 308 . 1 1 28 28 ALA H H 1 6.996 0.020 . 1 . . . A 28 ALA H . 18081 1 309 . 1 1 28 28 ALA HA H 1 4.381 0.020 . 1 . . . A 28 ALA HA . 18081 1 310 . 1 1 28 28 ALA HB1 H 1 1.797 0.020 . 1 . . . A 28 ALA HB1 . 18081 1 311 . 1 1 28 28 ALA HB2 H 1 1.797 0.020 . 1 . . . A 28 ALA HB2 . 18081 1 312 . 1 1 28 28 ALA HB3 H 1 1.797 0.020 . 1 . . . A 28 ALA HB3 . 18081 1 313 . 1 1 28 28 ALA C C 13 176.358 0.3 . 1 . . . A 28 ALA C . 18081 1 314 . 1 1 28 28 ALA CA C 13 55.582 0.3 . 1 . . . A 28 ALA CA . 18081 1 315 . 1 1 28 28 ALA CB C 13 20.921 0.3 . 1 . . . A 28 ALA CB . 18081 1 316 . 1 1 28 28 ALA N N 15 122.069 0.3 . 1 . . . A 28 ALA N . 18081 1 317 . 1 1 29 29 VAL H H 1 7.868 0.020 . 1 . . . A 29 VAL H . 18081 1 318 . 1 1 29 29 VAL HA H 1 4.707 0.020 . 1 . . . A 29 VAL HA . 18081 1 319 . 1 1 29 29 VAL HB H 1 2.144 0.020 . 1 . . . A 29 VAL HB . 18081 1 320 . 1 1 29 29 VAL HG11 H 1 1.037 0.020 . 1 . . . A 29 VAL HG11 . 18081 1 321 . 1 1 29 29 VAL HG12 H 1 1.037 0.020 . 1 . . . A 29 VAL HG12 . 18081 1 322 . 1 1 29 29 VAL HG13 H 1 1.037 0.020 . 1 . . . A 29 VAL HG13 . 18081 1 323 . 1 1 29 29 VAL HG21 H 1 1.037 0.020 . 1 . . . A 29 VAL HG21 . 18081 1 324 . 1 1 29 29 VAL HG22 H 1 1.037 0.020 . 1 . . . A 29 VAL HG22 . 18081 1 325 . 1 1 29 29 VAL HG23 H 1 1.037 0.020 . 1 . . . A 29 VAL HG23 . 18081 1 326 . 1 1 29 29 VAL C C 13 176.252 0.3 . 1 . . . A 29 VAL C . 18081 1 327 . 1 1 29 29 VAL CA C 13 61.989 0.3 . 1 . . . A 29 VAL CA . 18081 1 328 . 1 1 29 29 VAL CB C 13 31.600 0.3 . 1 . . . A 29 VAL CB . 18081 1 329 . 1 1 29 29 VAL CG1 C 13 19.846 0.3 . 1 . . . A 29 VAL CG1 . 18081 1 330 . 1 1 29 29 VAL CG2 C 13 19.846 0.3 . 1 . . . A 29 VAL CG2 . 18081 1 331 . 1 1 29 29 VAL N N 15 114.478 0.3 . 1 . . . A 29 VAL N . 18081 1 332 . 1 1 30 30 VAL H H 1 9.556 0.020 . 1 . . . A 30 VAL H . 18081 1 333 . 1 1 30 30 VAL HA H 1 4.387 0.020 . 1 . . . A 30 VAL HA . 18081 1 334 . 1 1 30 30 VAL HB H 1 2.066 0.020 . 1 . . . A 30 VAL HB . 18081 1 335 . 1 1 30 30 VAL HG11 H 1 1.002 0.020 . 1 . . . A 30 VAL HG11 . 18081 1 336 . 1 1 30 30 VAL HG12 H 1 1.002 0.020 . 1 . . . A 30 VAL HG12 . 18081 1 337 . 1 1 30 30 VAL HG13 H 1 1.002 0.020 . 1 . . . A 30 VAL HG13 . 18081 1 338 . 1 1 30 30 VAL HG21 H 1 0.916 0.020 . 1 . . . A 30 VAL HG21 . 18081 1 339 . 1 1 30 30 VAL HG22 H 1 0.916 0.020 . 1 . . . A 30 VAL HG22 . 18081 1 340 . 1 1 30 30 VAL HG23 H 1 0.916 0.020 . 1 . . . A 30 VAL HG23 . 18081 1 341 . 1 1 30 30 VAL C C 13 175.107 0.3 . 1 . . . A 30 VAL C . 18081 1 342 . 1 1 30 30 VAL CA C 13 60.743 0.3 . 1 . . . A 30 VAL CA . 18081 1 343 . 1 1 30 30 VAL CB C 13 35.258 0.3 . 1 . . . A 30 VAL CB . 18081 1 344 . 1 1 30 30 VAL CG1 C 13 20.821 0.3 . 1 . . . A 30 VAL CG1 . 18081 1 345 . 1 1 30 30 VAL CG2 C 13 20.821 0.3 . 1 . . . A 30 VAL CG2 . 18081 1 346 . 1 1 30 30 VAL N N 15 129.718 0.3 . 1 . . . A 30 VAL N . 18081 1 347 . 1 1 31 31 GLN H H 1 9.153 0.020 . 1 . . . A 31 GLN H . 18081 1 348 . 1 1 31 31 GLN HA H 1 4.141 0.020 . 1 . . . A 31 GLN HA . 18081 1 349 . 1 1 31 31 GLN HB2 H 1 1.794 0.020 . 2 . . . A 31 GLN HB2 . 18081 1 350 . 1 1 31 31 GLN HB3 H 1 1.978 0.020 . 2 . . . A 31 GLN HB3 . 18081 1 351 . 1 1 31 31 GLN HE21 H 1 6.579 0.020 . 1 . . . A 31 GLN HE21 . 18081 1 352 . 1 1 31 31 GLN HE22 H 1 6.882 0.020 . 1 . . . A 31 GLN HE22 . 18081 1 353 . 1 1 31 31 GLN C C 13 176.413 0.3 . 1 . . . A 31 GLN C . 18081 1 354 . 1 1 31 31 GLN CA C 13 57.050 0.3 . 1 . . . A 31 GLN CA . 18081 1 355 . 1 1 31 31 GLN CB C 13 27.051 0.3 . 1 . . . A 31 GLN CB . 18081 1 356 . 1 1 31 31 GLN CG C 13 33.277 0.3 . 1 . . . A 31 GLN CG . 18081 1 357 . 1 1 31 31 GLN CD C 13 179.845 0.3 . 1 . . . A 31 GLN CD . 18081 1 358 . 1 1 31 31 GLN N N 15 129.372 0.3 . 1 . . . A 31 GLN N . 18081 1 359 . 1 1 31 31 GLN NE2 N 15 109.193 0.3 . 1 . . . A 31 GLN NE2 . 18081 1 360 . 1 1 32 32 THR H H 1 8.266 0.020 . 1 . . . A 32 THR H . 18081 1 361 . 1 1 32 32 THR HA H 1 4.392 0.020 . 1 . . . A 32 THR HA . 18081 1 362 . 1 1 32 32 THR HB H 1 4.427 0.020 . 1 . . . A 32 THR HB . 18081 1 363 . 1 1 32 32 THR HG21 H 1 1.083 0.020 . 1 . . . A 32 THR HG21 . 18081 1 364 . 1 1 32 32 THR HG22 H 1 1.083 0.020 . 1 . . . A 32 THR HG22 . 18081 1 365 . 1 1 32 32 THR HG23 H 1 1.083 0.020 . 1 . . . A 32 THR HG23 . 18081 1 366 . 1 1 32 32 THR C C 13 174.102 0.3 . 1 . . . A 32 THR C . 18081 1 367 . 1 1 32 32 THR CA C 13 61.678 0.3 . 1 . . . A 32 THR CA . 18081 1 368 . 1 1 32 32 THR CB C 13 68.775 0.3 . 1 . . . A 32 THR CB . 18081 1 369 . 1 1 32 32 THR CG2 C 13 20.902 0.3 . 1 . . . A 32 THR CG2 . 18081 1 370 . 1 1 32 32 THR N N 15 119.775 0.3 . 1 . . . A 32 THR N . 18081 1 371 . 1 1 33 33 GLY H H 1 7.997 0.020 . 1 . . . A 33 GLY H . 18081 1 372 . 1 1 33 33 GLY HA2 H 1 4.240 0.020 . 1 . . . A 33 GLY HA2 . 18081 1 373 . 1 1 33 33 GLY HA3 H 1 4.240 0.020 . 1 . . . A 33 GLY HA3 . 18081 1 374 . 1 1 33 33 GLY C C 13 170.586 0.3 . 1 . . . A 33 GLY C . 18081 1 375 . 1 1 33 33 GLY CA C 13 45.082 0.3 . 1 . . . A 33 GLY CA . 18081 1 376 . 1 1 33 33 GLY N N 15 111.761 0.3 . 1 . . . A 33 GLY N . 18081 1 377 . 1 1 34 34 PRO C C 13 176.674 0.3 . 1 . . . A 34 PRO C . 18081 1 378 . 1 1 34 34 PRO CA C 13 64.881 0.3 . 1 . . . A 34 PRO CA . 18081 1 379 . 1 1 34 34 PRO CB C 13 31.361 0.3 . 1 . . . A 34 PRO CB . 18081 1 380 . 1 1 35 35 ASN H H 1 8.649 0.020 . 1 . . . A 35 ASN H . 18081 1 381 . 1 1 35 35 ASN HA H 1 4.854 0.020 . 1 . . . A 35 ASN HA . 18081 1 382 . 1 1 35 35 ASN HB2 H 1 2.915 0.020 . 2 . . . A 35 ASN HB2 . 18081 1 383 . 1 1 35 35 ASN HB3 H 1 2.433 0.020 . 2 . . . A 35 ASN HB3 . 18081 1 384 . 1 1 35 35 ASN HD21 H 1 6.833 0.020 . 1 . . . A 35 ASN HD21 . 18081 1 385 . 1 1 35 35 ASN HD22 H 1 7.638 0.020 . 1 . . . A 35 ASN HD22 . 18081 1 386 . 1 1 35 35 ASN C C 13 173.262 0.3 . 1 . . . A 35 ASN C . 18081 1 387 . 1 1 35 35 ASN CA C 13 52.123 0.3 . 1 . . . A 35 ASN CA . 18081 1 388 . 1 1 35 35 ASN CB C 13 39.756 0.3 . 1 . . . A 35 ASN CB . 18081 1 389 . 1 1 35 35 ASN CG C 13 177.844 0.3 . 1 . . . A 35 ASN CG . 18081 1 390 . 1 1 35 35 ASN N N 15 117.681 0.3 . 1 . . . A 35 ASN N . 18081 1 391 . 1 1 35 35 ASN ND2 N 15 112.083 0.3 . 1 . . . A 35 ASN ND2 . 18081 1 392 . 1 1 36 36 GLN H H 1 6.953 0.020 . 1 . . . A 36 GLN H . 18081 1 393 . 1 1 36 36 GLN HA H 1 5.567 0.020 . 1 . . . A 36 GLN HA . 18081 1 394 . 1 1 36 36 GLN HB2 H 1 1.740 0.020 . 2 . . . A 36 GLN HB2 . 18081 1 395 . 1 1 36 36 GLN HB3 H 1 1.435 0.020 . 2 . . . A 36 GLN HB3 . 18081 1 396 . 1 1 36 36 GLN HG2 H 1 1.695 0.020 . 2 . . . A 36 GLN HG2 . 18081 1 397 . 1 1 36 36 GLN HG3 H 1 2.200 0.020 . 2 . . . A 36 GLN HG3 . 18081 1 398 . 1 1 36 36 GLN HE21 H 1 6.773 0.020 . 1 . . . A 36 GLN HE21 . 18081 1 399 . 1 1 36 36 GLN HE22 H 1 7.849 0.020 . 1 . . . A 36 GLN HE22 . 18081 1 400 . 1 1 36 36 GLN C C 13 173.292 0.3 . 1 . . . A 36 GLN C . 18081 1 401 . 1 1 36 36 GLN CA C 13 54.603 0.3 . 1 . . . A 36 GLN CA . 18081 1 402 . 1 1 36 36 GLN CB C 13 33.874 0.3 . 1 . . . A 36 GLN CB . 18081 1 403 . 1 1 36 36 GLN CG C 13 35.028 0.3 . 1 . . . A 36 GLN CG . 18081 1 404 . 1 1 36 36 GLN CD C 13 181.070 0.3 . 1 . . . A 36 GLN CD . 18081 1 405 . 1 1 36 36 GLN N N 15 119.276 0.3 . 1 . . . A 36 GLN N . 18081 1 406 . 1 1 36 36 GLN NE2 N 15 113.471 0.3 . 1 . . . A 36 GLN NE2 . 18081 1 407 . 1 1 37 37 TYR H H 1 8.898 0.020 . 1 . . . A 37 TYR H . 18081 1 408 . 1 1 37 37 TYR HA H 1 5.064 0.020 . 1 . . . A 37 TYR HA . 18081 1 409 . 1 1 37 37 TYR HB2 H 1 2.517 0.020 . 1 . . . A 37 TYR HB2 . 18081 1 410 . 1 1 37 37 TYR HB3 H 1 2.517 0.020 . 1 . . . A 37 TYR HB3 . 18081 1 411 . 1 1 37 37 TYR HD1 H 1 6.668 0.020 . 1 . . . A 37 TYR HD1 . 18081 1 412 . 1 1 37 37 TYR HD2 H 1 6.668 0.020 . 1 . . . A 37 TYR HD2 . 18081 1 413 . 1 1 37 37 TYR HE1 H 1 6.335 0.020 . 1 . . . A 37 TYR HE1 . 18081 1 414 . 1 1 37 37 TYR HE2 H 1 6.335 0.020 . 1 . . . A 37 TYR HE2 . 18081 1 415 . 1 1 37 37 TYR C C 13 174.321 0.3 . 1 . . . A 37 TYR C . 18081 1 416 . 1 1 37 37 TYR CA C 13 56.472 0.3 . 1 . . . A 37 TYR CA . 18081 1 417 . 1 1 37 37 TYR CB C 13 40.696 0.3 . 1 . . . A 37 TYR CB . 18081 1 418 . 1 1 37 37 TYR N N 15 125.339 0.3 . 1 . . . A 37 TYR N . 18081 1 419 . 1 1 38 38 THR H H 1 9.592 0.020 . 1 . . . A 38 THR H . 18081 1 420 . 1 1 38 38 THR HA H 1 5.098 0.020 . 1 . . . A 38 THR HA . 18081 1 421 . 1 1 38 38 THR HB H 1 3.720 0.020 . 1 . . . A 38 THR HB . 18081 1 422 . 1 1 38 38 THR HG21 H 1 0.568 0.020 . 1 . . . A 38 THR HG21 . 18081 1 423 . 1 1 38 38 THR HG22 H 1 0.568 0.020 . 1 . . . A 38 THR HG22 . 18081 1 424 . 1 1 38 38 THR HG23 H 1 0.568 0.020 . 1 . . . A 38 THR HG23 . 18081 1 425 . 1 1 38 38 THR C C 13 172.253 0.3 . 1 . . . A 38 THR C . 18081 1 426 . 1 1 38 38 THR CA C 13 61.589 0.3 . 1 . . . A 38 THR CA . 18081 1 427 . 1 1 38 38 THR CB C 13 69.764 0.3 . 1 . . . A 38 THR CB . 18081 1 428 . 1 1 38 38 THR CG2 C 13 19.683 0.3 . 1 . . . A 38 THR CG2 . 18081 1 429 . 1 1 38 38 THR N N 15 121.935 0.3 . 1 . . . A 38 THR N . 18081 1 430 . 1 1 39 39 VAL H H 1 8.710 0.020 . 1 . . . A 39 VAL H . 18081 1 431 . 1 1 39 39 VAL HA H 1 5.101 0.020 . 1 . . . A 39 VAL HA . 18081 1 432 . 1 1 39 39 VAL HB H 1 1.637 0.020 . 1 . . . A 39 VAL HB . 18081 1 433 . 1 1 39 39 VAL HG11 H 1 0.578 0.020 . 1 . . . A 39 VAL HG11 . 18081 1 434 . 1 1 39 39 VAL HG12 H 1 0.578 0.020 . 1 . . . A 39 VAL HG12 . 18081 1 435 . 1 1 39 39 VAL HG13 H 1 0.578 0.020 . 1 . . . A 39 VAL HG13 . 18081 1 436 . 1 1 39 39 VAL HG21 H 1 0.800 0.020 . 1 . . . A 39 VAL HG21 . 18081 1 437 . 1 1 39 39 VAL HG22 H 1 0.800 0.020 . 1 . . . A 39 VAL HG22 . 18081 1 438 . 1 1 39 39 VAL HG23 H 1 0.800 0.020 . 1 . . . A 39 VAL HG23 . 18081 1 439 . 1 1 39 39 VAL C C 13 174.612 0.3 . 1 . . . A 39 VAL C . 18081 1 440 . 1 1 39 39 VAL CA C 13 59.631 0.3 . 1 . . . A 39 VAL CA . 18081 1 441 . 1 1 39 39 VAL CB C 13 34.071 0.3 . 1 . . . A 39 VAL CB . 18081 1 442 . 1 1 39 39 VAL CG1 C 13 21.065 0.3 . 1 . . . A 39 VAL CG1 . 18081 1 443 . 1 1 39 39 VAL CG2 C 13 21.065 0.3 . 1 . . . A 39 VAL CG2 . 18081 1 444 . 1 1 39 39 VAL N N 15 126.189 0.3 . 1 . . . A 39 VAL N . 18081 1 445 . 1 1 40 40 TYR H H 1 9.139 0.020 . 1 . . . A 40 TYR H . 18081 1 446 . 1 1 40 40 TYR HA H 1 4.641 0.020 . 1 . . . A 40 TYR HA . 18081 1 447 . 1 1 40 40 TYR HB2 H 1 2.395 0.020 . 2 . . . A 40 TYR HB2 . 18081 1 448 . 1 1 40 40 TYR HB3 H 1 1.341 0.020 . 2 . . . A 40 TYR HB3 . 18081 1 449 . 1 1 40 40 TYR HD1 H 1 6.192 0.020 . 1 . . . A 40 TYR HD1 . 18081 1 450 . 1 1 40 40 TYR HD2 H 1 6.192 0.020 . 1 . . . A 40 TYR HD2 . 18081 1 451 . 1 1 40 40 TYR HE1 H 1 6.192 0.020 . 1 . . . A 40 TYR HE1 . 18081 1 452 . 1 1 40 40 TYR HE2 H 1 6.192 0.020 . 1 . . . A 40 TYR HE2 . 18081 1 453 . 1 1 40 40 TYR C C 13 174.840 0.3 . 1 . . . A 40 TYR C . 18081 1 454 . 1 1 40 40 TYR CA C 13 58.652 0.3 . 1 . . . A 40 TYR CA . 18081 1 455 . 1 1 40 40 TYR CB C 13 36.840 0.3 . 1 . . . A 40 TYR CB . 18081 1 456 . 1 1 40 40 TYR N N 15 130.243 0.3 . 1 . . . A 40 TYR N . 18081 1 457 . 1 1 41 41 VAL H H 1 8.686 0.020 . 1 . . . A 41 VAL H . 18081 1 458 . 1 1 41 41 VAL HA H 1 5.340 0.020 . 1 . . . A 41 VAL HA . 18081 1 459 . 1 1 41 41 VAL HB H 1 1.939 0.020 . 1 . . . A 41 VAL HB . 18081 1 460 . 1 1 41 41 VAL HG11 H 1 1.084 0.020 . 1 . . . A 41 VAL HG11 . 18081 1 461 . 1 1 41 41 VAL HG12 H 1 1.084 0.020 . 1 . . . A 41 VAL HG12 . 18081 1 462 . 1 1 41 41 VAL HG13 H 1 1.084 0.020 . 1 . . . A 41 VAL HG13 . 18081 1 463 . 1 1 41 41 VAL HG21 H 1 1.037 0.020 . 1 . . . A 41 VAL HG21 . 18081 1 464 . 1 1 41 41 VAL HG22 H 1 1.037 0.020 . 1 . . . A 41 VAL HG22 . 18081 1 465 . 1 1 41 41 VAL HG23 H 1 1.037 0.020 . 1 . . . A 41 VAL HG23 . 18081 1 466 . 1 1 41 41 VAL C C 13 175.680 0.3 . 1 . . . A 41 VAL C . 18081 1 467 . 1 1 41 41 VAL CA C 13 60.254 0.3 . 1 . . . A 41 VAL CA . 18081 1 468 . 1 1 41 41 VAL CB C 13 34.862 0.3 . 1 . . . A 41 VAL CB . 18081 1 469 . 1 1 41 41 VAL CG1 C 13 22.446 0.3 . 1 . . . A 41 VAL CG1 . 18081 1 470 . 1 1 41 41 VAL CG2 C 13 20.577 0.3 . 1 . . . A 41 VAL CG2 . 18081 1 471 . 1 1 41 41 VAL N N 15 124.415 0.3 . 1 . . . A 41 VAL N . 18081 1 472 . 1 1 42 42 LEU H H 1 9.694 0.020 . 1 . . . A 42 LEU H . 18081 1 473 . 1 1 42 42 LEU HA H 1 5.146 0.020 . 1 . . . A 42 LEU HA . 18081 1 474 . 1 1 42 42 LEU HB2 H 1 1.974 0.020 . 2 . . . A 42 LEU HB2 . 18081 1 475 . 1 1 42 42 LEU HB3 H 1 1.738 0.020 . 2 . . . A 42 LEU HB3 . 18081 1 476 . 1 1 42 42 LEU HD11 H 1 0.595 0.020 . 1 . . . A 42 LEU HD11 . 18081 1 477 . 1 1 42 42 LEU HD12 H 1 0.595 0.020 . 1 . . . A 42 LEU HD12 . 18081 1 478 . 1 1 42 42 LEU HD13 H 1 0.595 0.020 . 1 . . . A 42 LEU HD13 . 18081 1 479 . 1 1 42 42 LEU HD21 H 1 0.444 0.020 . 1 . . . A 42 LEU HD21 . 18081 1 480 . 1 1 42 42 LEU HD22 H 1 0.444 0.020 . 1 . . . A 42 LEU HD22 . 18081 1 481 . 1 1 42 42 LEU HD23 H 1 0.444 0.020 . 1 . . . A 42 LEU HD23 . 18081 1 482 . 1 1 42 42 LEU C C 13 175.161 0.3 . 1 . . . A 42 LEU C . 18081 1 483 . 1 1 42 42 LEU CA C 13 52.779 0.3 . 1 . . . A 42 LEU CA . 18081 1 484 . 1 1 42 42 LEU CB C 13 45.639 0.3 . 1 . . . A 42 LEU CB . 18081 1 485 . 1 1 42 42 LEU CD1 C 13 24.640 0.3 . 1 . . . A 42 LEU CD1 . 18081 1 486 . 1 1 42 42 LEU CD2 C 13 25.615 0.3 . 1 . . . A 42 LEU CD2 . 18081 1 487 . 1 1 42 42 LEU N N 15 129.148 0.3 . 1 . . . A 42 LEU N . 18081 1 488 . 1 1 43 43 ALA H H 1 8.734 0.020 . 1 . . . A 43 ALA H . 18081 1 489 . 1 1 43 43 ALA HA H 1 4.722 0.020 . 1 . . . A 43 ALA HA . 18081 1 490 . 1 1 43 43 ALA HB1 H 1 1.092 0.020 . 1 . . . A 43 ALA HB1 . 18081 1 491 . 1 1 43 43 ALA HB2 H 1 1.092 0.020 . 1 . . . A 43 ALA HB2 . 18081 1 492 . 1 1 43 43 ALA HB3 H 1 1.092 0.020 . 1 . . . A 43 ALA HB3 . 18081 1 493 . 1 1 43 43 ALA C C 13 173.292 0.3 . 1 . . . A 43 ALA C . 18081 1 494 . 1 1 43 43 ALA CA C 13 50.154 0.3 . 1 . . . A 43 ALA CA . 18081 1 495 . 1 1 43 43 ALA CB C 13 20.130 0.3 . 1 . . . A 43 ALA CB . 18081 1 496 . 1 1 43 43 ALA N N 15 130.838 0.3 . 1 . . . A 43 ALA N . 18081 1 497 . 1 1 44 44 PHE H H 1 7.756 0.020 . 1 . . . A 44 PHE H . 18081 1 498 . 1 1 44 44 PHE HA H 1 5.209 0.020 . 1 . . . A 44 PHE HA . 18081 1 499 . 1 1 44 44 PHE HB2 H 1 2.204 0.020 . 2 . . . A 44 PHE HB2 . 18081 1 500 . 1 1 44 44 PHE HB3 H 1 3.012 0.020 . 2 . . . A 44 PHE HB3 . 18081 1 501 . 1 1 44 44 PHE HD1 H 1 6.664 0.020 . 3 . . . A 44 PHE HD1 . 18081 1 502 . 1 1 44 44 PHE HD2 H 1 6.626 0.020 . 3 . . . A 44 PHE HD2 . 18081 1 503 . 1 1 44 44 PHE HE1 H 1 6.970 0.020 . 3 . . . A 44 PHE HE1 . 18081 1 504 . 1 1 44 44 PHE HE2 H 1 6.958 0.020 . 3 . . . A 44 PHE HE2 . 18081 1 505 . 1 1 44 44 PHE C C 13 172.698 0.3 . 1 . . . A 44 PHE C . 18081 1 506 . 1 1 44 44 PHE CA C 13 54.125 0.3 . 1 . . . A 44 PHE CA . 18081 1 507 . 1 1 44 44 PHE CB C 13 42.673 0.3 . 1 . . . A 44 PHE CB . 18081 1 508 . 1 1 44 44 PHE N N 15 118.472 0.3 . 1 . . . A 44 PHE N . 18081 1 509 . 1 1 45 45 ALA H H 1 10.173 0.020 . 1 . . . A 45 ALA H . 18081 1 510 . 1 1 45 45 ALA HA H 1 3.413 0.020 . 1 . . . A 45 ALA HA . 18081 1 511 . 1 1 45 45 ALA HB1 H 1 0.345 0.020 . 1 . . . A 45 ALA HB1 . 18081 1 512 . 1 1 45 45 ALA HB2 H 1 0.345 0.020 . 1 . . . A 45 ALA HB2 . 18081 1 513 . 1 1 45 45 ALA HB3 H 1 0.345 0.020 . 1 . . . A 45 ALA HB3 . 18081 1 514 . 1 1 45 45 ALA C C 13 177.267 0.3 . 1 . . . A 45 ALA C . 18081 1 515 . 1 1 45 45 ALA CA C 13 46.283 0.3 . 1 . . . A 45 ALA CA . 18081 1 516 . 1 1 45 45 ALA CB C 13 15.780 0.3 . 1 . . . A 45 ALA CB . 18081 1 517 . 1 1 45 45 ALA N N 15 125.490 0.3 . 1 . . . A 45 ALA N . 18081 1 518 . 1 1 46 46 PHE H H 1 7.994 0.020 . 1 . . . A 46 PHE H . 18081 1 519 . 1 1 46 46 PHE HA H 1 5.220 0.020 . 1 . . . A 46 PHE HA . 18081 1 520 . 1 1 46 46 PHE HB2 H 1 2.757 0.020 . 1 . . . A 46 PHE HB2 . 18081 1 521 . 1 1 46 46 PHE HB3 H 1 2.757 0.020 . 1 . . . A 46 PHE HB3 . 18081 1 522 . 1 1 46 46 PHE HD1 H 1 7.240 0.020 . 3 . . . A 46 PHE HD1 . 18081 1 523 . 1 1 46 46 PHE HD2 H 1 7.244 0.020 . 3 . . . A 46 PHE HD2 . 18081 1 524 . 1 1 46 46 PHE C C 13 173.387 0.3 . 1 . . . A 46 PHE C . 18081 1 525 . 1 1 46 46 PHE CA C 13 60.031 0.3 . 1 . . . A 46 PHE CA . 18081 1 526 . 1 1 46 46 PHE CB C 13 40.399 0.3 . 1 . . . A 46 PHE CB . 18081 1 527 . 1 1 46 46 PHE N N 15 128.515 0.3 . 1 . . . A 46 PHE N . 18081 1 528 . 1 1 47 47 GLY H H 1 7.796 0.020 . 1 . . . A 47 GLY H . 18081 1 529 . 1 1 47 47 GLY HA2 H 1 3.402 0.020 . 2 . . . A 47 GLY HA2 . 18081 1 530 . 1 1 47 47 GLY HA3 H 1 3.442 0.020 . 2 . . . A 47 GLY HA3 . 18081 1 531 . 1 1 47 47 GLY C C 13 167.774 0.3 . 1 . . . A 47 GLY C . 18081 1 532 . 1 1 47 47 GLY CA C 13 45.235 0.3 . 1 . . . A 47 GLY CA . 18081 1 533 . 1 1 47 47 GLY N N 15 113.741 0.3 . 1 . . . A 47 GLY N . 18081 1 534 . 1 1 48 48 TYR H H 1 8.158 0.020 . 1 . . . A 48 TYR H . 18081 1 535 . 1 1 48 48 TYR HA H 1 5.338 0.020 . 1 . . . A 48 TYR HA . 18081 1 536 . 1 1 48 48 TYR HB2 H 1 2.755 0.020 . 2 . . . A 48 TYR HB2 . 18081 1 537 . 1 1 48 48 TYR HB3 H 1 2.558 0.020 . 2 . . . A 48 TYR HB3 . 18081 1 538 . 1 1 48 48 TYR HD1 H 1 6.674 0.020 . 3 . . . A 48 TYR HD1 . 18081 1 539 . 1 1 48 48 TYR HD2 H 1 6.510 0.020 . 3 . . . A 48 TYR HD2 . 18081 1 540 . 1 1 48 48 TYR C C 13 175.042 0.3 . 1 . . . A 48 TYR C . 18081 1 541 . 1 1 48 48 TYR CA C 13 56.294 0.3 . 1 . . . A 48 TYR CA . 18081 1 542 . 1 1 48 48 TYR CB C 13 41.962 0.3 . 1 . . . A 48 TYR CB . 18081 1 543 . 1 1 48 48 TYR N N 15 113.753 0.3 . 1 . . . A 48 TYR N . 18081 1 544 . 1 1 49 49 GLN H H 1 9.163 0.020 . 1 . . . A 49 GLN H . 18081 1 545 . 1 1 49 49 GLN HA H 1 4.817 0.020 . 1 . . . A 49 GLN HA . 18081 1 546 . 1 1 49 49 GLN HB2 H 1 2.375 0.020 . 1 . . . A 49 GLN HB2 . 18081 1 547 . 1 1 49 49 GLN HB3 H 1 2.375 0.020 . 1 . . . A 49 GLN HB3 . 18081 1 548 . 1 1 49 49 GLN CA C 13 52.334 0.3 . 1 . . . A 49 GLN CA . 18081 1 549 . 1 1 49 49 GLN CB C 13 33.874 0.3 . 1 . . . A 49 GLN CB . 18081 1 550 . 1 1 49 49 GLN N N 15 121.776 0.3 . 1 . . . A 49 GLN N . 18081 1 551 . 1 1 50 50 PRO HA H 1 4.742 0.020 . 1 . . . A 50 PRO HA . 18081 1 552 . 1 1 50 50 PRO HB2 H 1 2.113 0.020 . 2 . . . A 50 PRO HB2 . 18081 1 553 . 1 1 50 50 PRO HB3 H 1 2.471 0.020 . 2 . . . A 50 PRO HB3 . 18081 1 554 . 1 1 50 50 PRO HG2 H 1 1.996 0.020 . 2 . . . A 50 PRO HG2 . 18081 1 555 . 1 1 50 50 PRO HG3 H 1 1.838 0.020 . 2 . . . A 50 PRO HG3 . 18081 1 556 . 1 1 50 50 PRO HD2 H 1 3.532 0.020 . 2 . . . A 50 PRO HD2 . 18081 1 557 . 1 1 50 50 PRO HD3 H 1 4.072 0.020 . 2 . . . A 50 PRO HD3 . 18081 1 558 . 1 1 50 50 PRO C C 13 174.271 0.3 . 1 . . . A 50 PRO C . 18081 1 559 . 1 1 50 50 PRO CA C 13 62.790 0.3 . 1 . . . A 50 PRO CA . 18081 1 560 . 1 1 50 50 PRO CB C 13 34.665 0.3 . 1 . . . A 50 PRO CB . 18081 1 561 . 1 1 50 50 PRO CG C 13 25.269 0.3 . 1 . . . A 50 PRO CG . 18081 1 562 . 1 1 50 50 PRO CD C 13 49.436 0.3 . 1 . . . A 50 PRO CD . 18081 1 563 . 1 1 51 51 ASN H H 1 8.229 0.020 . 1 . . . A 51 ASN H . 18081 1 564 . 1 1 51 51 ASN HA H 1 5.080 0.020 . 1 . . . A 51 ASN HA . 18081 1 565 . 1 1 51 51 ASN HB2 H 1 3.085 0.020 . 2 . . . A 51 ASN HB2 . 18081 1 566 . 1 1 51 51 ASN HB3 H 1 3.223 0.020 . 2 . . . A 51 ASN HB3 . 18081 1 567 . 1 1 51 51 ASN CA C 13 50.999 0.3 . 1 . . . A 51 ASN CA . 18081 1 568 . 1 1 51 51 ASN CB C 13 40.696 0.3 . 1 . . . A 51 ASN CB . 18081 1 569 . 1 1 51 51 ASN N N 15 113.755 0.3 . 1 . . . A 51 ASN N . 18081 1 570 . 1 1 52 52 PRO HA H 1 5.271 0.020 . 1 . . . A 52 PRO HA . 18081 1 571 . 1 1 52 52 PRO HB2 H 1 1.783 0.020 . 2 . . . A 52 PRO HB2 . 18081 1 572 . 1 1 52 52 PRO HB3 H 1 2.207 0.020 . 2 . . . A 52 PRO HB3 . 18081 1 573 . 1 1 52 52 PRO HG2 H 1 1.938 0.020 . 2 . . . A 52 PRO HG2 . 18081 1 574 . 1 1 52 52 PRO HG3 H 1 1.802 0.020 . 2 . . . A 52 PRO HG3 . 18081 1 575 . 1 1 52 52 PRO HD2 H 1 3.577 0.020 . 2 . . . A 52 PRO HD2 . 18081 1 576 . 1 1 52 52 PRO HD3 H 1 3.515 0.020 . 2 . . . A 52 PRO HD3 . 18081 1 577 . 1 1 52 52 PRO C C 13 176.525 0.3 . 1 . . . A 52 PRO C . 18081 1 578 . 1 1 52 52 PRO CA C 13 63.591 0.3 . 1 . . . A 52 PRO CA . 18081 1 579 . 1 1 52 52 PRO CB C 13 34.907 0.3 . 1 . . . A 52 PRO CB . 18081 1 580 . 1 1 52 52 PRO CG C 13 24.497 0.3 . 1 . . . A 52 PRO CG . 18081 1 581 . 1 1 52 52 PRO CD C 13 49.994 0.3 . 1 . . . A 52 PRO CD . 18081 1 582 . 1 1 53 53 ILE H H 1 8.321 0.020 . 1 . . . A 53 ILE H . 18081 1 583 . 1 1 53 53 ILE HA H 1 4.066 0.020 . 1 . . . A 53 ILE HA . 18081 1 584 . 1 1 53 53 ILE HB H 1 1.791 0.020 . 1 . . . A 53 ILE HB . 18081 1 585 . 1 1 53 53 ILE HG12 H 1 1.923 0.020 . 2 . . . A 53 ILE HG12 . 18081 1 586 . 1 1 53 53 ILE HG13 H 1 0.825 0.020 . 2 . . . A 53 ILE HG13 . 18081 1 587 . 1 1 53 53 ILE HG21 H 1 0.866 0.020 . 1 . . . A 53 ILE HG21 . 18081 1 588 . 1 1 53 53 ILE HG22 H 1 0.866 0.020 . 1 . . . A 53 ILE HG22 . 18081 1 589 . 1 1 53 53 ILE HG23 H 1 0.866 0.020 . 1 . . . A 53 ILE HG23 . 18081 1 590 . 1 1 53 53 ILE HD11 H 1 0.937 0.020 . 1 . . . A 53 ILE HD11 . 18081 1 591 . 1 1 53 53 ILE HD12 H 1 0.937 0.020 . 1 . . . A 53 ILE HD12 . 18081 1 592 . 1 1 53 53 ILE HD13 H 1 0.937 0.020 . 1 . . . A 53 ILE HD13 . 18081 1 593 . 1 1 53 53 ILE C C 13 174.236 0.3 . 1 . . . A 53 ILE C . 18081 1 594 . 1 1 53 53 ILE CA C 13 61.500 0.3 . 1 . . . A 53 ILE CA . 18081 1 595 . 1 1 53 53 ILE CB C 13 39.905 0.3 . 1 . . . A 53 ILE CB . 18081 1 596 . 1 1 53 53 ILE CG1 C 13 28.540 0.3 . 1 . . . A 53 ILE CG1 . 18081 1 597 . 1 1 53 53 ILE CG2 C 13 19.333 0.3 . 1 . . . A 53 ILE CG2 . 18081 1 598 . 1 1 53 53 ILE CD1 C 13 14.809 0.3 . 1 . . . A 53 ILE CD1 . 18081 1 599 . 1 1 53 53 ILE N N 15 120.452 0.3 . 1 . . . A 53 ILE N . 18081 1 600 . 1 1 54 54 GLU H H 1 8.458 0.020 . 1 . . . A 54 GLU H . 18081 1 601 . 1 1 54 54 GLU HA H 1 5.467 0.020 . 1 . . . A 54 GLU HA . 18081 1 602 . 1 1 54 54 GLU HB2 H 1 1.741 0.020 . 2 . . . A 54 GLU HB2 . 18081 1 603 . 1 1 54 54 GLU HB3 H 1 1.916 0.020 . 2 . . . A 54 GLU HB3 . 18081 1 604 . 1 1 54 54 GLU HG2 H 1 2.083 0.020 . 2 . . . A 54 GLU HG2 . 18081 1 605 . 1 1 54 54 GLU HG3 H 1 1.878 0.020 . 2 . . . A 54 GLU HG3 . 18081 1 606 . 1 1 54 54 GLU C C 13 175.598 0.3 . 1 . . . A 54 GLU C . 18081 1 607 . 1 1 54 54 GLU CA C 13 55.004 0.3 . 1 . . . A 54 GLU CA . 18081 1 608 . 1 1 54 54 GLU CB C 13 30.907 0.3 . 1 . . . A 54 GLU CB . 18081 1 609 . 1 1 54 54 GLU CG C 13 36.582 0.3 . 1 . . . A 54 GLU CG . 18081 1 610 . 1 1 54 54 GLU N N 15 129.279 0.3 . 1 . . . A 54 GLU N . 18081 1 611 . 1 1 55 55 VAL H H 1 8.492 0.020 . 1 . . . A 55 VAL H . 18081 1 612 . 1 1 55 55 VAL HA H 1 4.656 0.020 . 1 . . . A 55 VAL HA . 18081 1 613 . 1 1 55 55 VAL C C 13 172.453 0.3 . 1 . . . A 55 VAL C . 18081 1 614 . 1 1 55 55 VAL CA C 13 56.739 0.3 . 1 . . . A 55 VAL CA . 18081 1 615 . 1 1 55 55 VAL CB C 13 33.972 0.3 . 1 . . . A 55 VAL CB . 18081 1 616 . 1 1 55 55 VAL N N 15 115.767 0.3 . 1 . . . A 55 VAL N . 18081 1 617 . 1 1 56 56 PRO HA H 1 4.667 0.020 . 1 . . . A 56 PRO HA . 18081 1 618 . 1 1 56 56 PRO HB2 H 1 1.721 0.020 . 2 . . . A 56 PRO HB2 . 18081 1 619 . 1 1 56 56 PRO HB3 H 1 2.188 0.020 . 2 . . . A 56 PRO HB3 . 18081 1 620 . 1 1 56 56 PRO HG2 H 1 1.561 0.020 . 2 . . . A 56 PRO HG2 . 18081 1 621 . 1 1 56 56 PRO HG3 H 1 1.450 0.020 . 2 . . . A 56 PRO HG3 . 18081 1 622 . 1 1 56 56 PRO HD2 H 1 3.099 0.020 . 2 . . . A 56 PRO HD2 . 18081 1 623 . 1 1 56 56 PRO HD3 H 1 2.700 0.020 . 2 . . . A 56 PRO HD3 . 18081 1 624 . 1 1 56 56 PRO C C 13 177.445 0.3 . 1 . . . A 56 PRO C . 18081 1 625 . 1 1 56 56 PRO CA C 13 61.678 0.3 . 1 . . . A 56 PRO CA . 18081 1 626 . 1 1 56 56 PRO CB C 13 31.995 0.3 . 1 . . . A 56 PRO CB . 18081 1 627 . 1 1 56 56 PRO CG C 13 27.033 0.3 . 1 . . . A 56 PRO CG . 18081 1 628 . 1 1 56 56 PRO CD C 13 49.807 0.3 . 1 . . . A 56 PRO CD . 18081 1 629 . 1 1 57 57 GLN H H 1 8.466 0.020 . 1 . . . A 57 GLN H . 18081 1 630 . 1 1 57 57 GLN HA H 1 3.890 0.020 . 1 . . . A 57 GLN HA . 18081 1 631 . 1 1 57 57 GLN HB2 H 1 1.839 0.020 . 1 . . . A 57 GLN HB2 . 18081 1 632 . 1 1 57 57 GLN HB3 H 1 1.839 0.020 . 1 . . . A 57 GLN HB3 . 18081 1 633 . 1 1 57 57 GLN HG2 H 1 2.362 0.020 . 2 . . . A 57 GLN HG2 . 18081 1 634 . 1 1 57 57 GLN HG3 H 1 2.058 0.020 . 2 . . . A 57 GLN HG3 . 18081 1 635 . 1 1 57 57 GLN HE21 H 1 6.680 0.020 . 1 . . . A 57 GLN HE21 . 18081 1 636 . 1 1 57 57 GLN HE22 H 1 7.723 0.020 . 1 . . . A 57 GLN HE22 . 18081 1 637 . 1 1 57 57 GLN C C 13 176.735 0.3 . 1 . . . A 57 GLN C . 18081 1 638 . 1 1 57 57 GLN CA C 13 56.872 0.3 . 1 . . . A 57 GLN CA . 18081 1 639 . 1 1 57 57 GLN CB C 13 27.842 0.3 . 1 . . . A 57 GLN CB . 18081 1 640 . 1 1 57 57 GLN CG C 13 32.239 0.3 . 1 . . . A 57 GLN CG . 18081 1 641 . 1 1 57 57 GLN CD C 13 178.360 0.3 . 1 . . . A 57 GLN CD . 18081 1 642 . 1 1 57 57 GLN N N 15 122.020 0.3 . 1 . . . A 57 GLN N . 18081 1 643 . 1 1 57 57 GLN NE2 N 15 110.051 0.3 . 1 . . . A 57 GLN NE2 . 18081 1 644 . 1 1 58 58 GLY H H 1 8.713 0.020 . 1 . . . A 58 GLY H . 18081 1 645 . 1 1 58 58 GLY HA2 H 1 3.333 0.020 . 2 . . . A 58 GLY HA2 . 18081 1 646 . 1 1 58 58 GLY HA3 H 1 4.134 0.020 . 2 . . . A 58 GLY HA3 . 18081 1 647 . 1 1 58 58 GLY C C 13 172.686 0.3 . 1 . . . A 58 GLY C . 18081 1 648 . 1 1 58 58 GLY CA C 13 46.372 0.3 . 1 . . . A 58 GLY CA . 18081 1 649 . 1 1 58 58 GLY N N 15 112.805 0.3 . 1 . . . A 58 GLY N . 18081 1 650 . 1 1 59 59 ALA H H 1 6.982 0.020 . 1 . . . A 59 ALA H . 18081 1 651 . 1 1 59 59 ALA HA H 1 4.551 0.020 . 1 . . . A 59 ALA HA . 18081 1 652 . 1 1 59 59 ALA HB1 H 1 1.309 0.020 . 1 . . . A 59 ALA HB1 . 18081 1 653 . 1 1 59 59 ALA HB2 H 1 1.309 0.020 . 1 . . . A 59 ALA HB2 . 18081 1 654 . 1 1 59 59 ALA HB3 H 1 1.309 0.020 . 1 . . . A 59 ALA HB3 . 18081 1 655 . 1 1 59 59 ALA C C 13 176.659 0.3 . 1 . . . A 59 ALA C . 18081 1 656 . 1 1 59 59 ALA CA C 13 50.732 0.3 . 1 . . . A 59 ALA CA . 18081 1 657 . 1 1 59 59 ALA CB C 13 20.724 0.3 . 1 . . . A 59 ALA CB . 18081 1 658 . 1 1 59 59 ALA N N 15 122.839 0.3 . 1 . . . A 59 ALA N . 18081 1 659 . 1 1 60 60 GLU H H 1 8.260 0.020 . 1 . . . A 60 GLU H . 18081 1 660 . 1 1 60 60 GLU HA H 1 4.307 0.020 . 1 . . . A 60 GLU HA . 18081 1 661 . 1 1 60 60 GLU HB2 H 1 1.851 0.020 . 2 . . . A 60 GLU HB2 . 18081 1 662 . 1 1 60 60 GLU HB3 H 1 2.060 0.020 . 2 . . . A 60 GLU HB3 . 18081 1 663 . 1 1 60 60 GLU HG2 H 1 1.877 0.020 . 1 . . . A 60 GLU HG2 . 18081 1 664 . 1 1 60 60 GLU HG3 H 1 1.877 0.020 . 1 . . . A 60 GLU HG3 . 18081 1 665 . 1 1 60 60 GLU C C 13 173.876 0.3 . 1 . . . A 60 GLU C . 18081 1 666 . 1 1 60 60 GLU CA C 13 56.828 0.3 . 1 . . . A 60 GLU CA . 18081 1 667 . 1 1 60 60 GLU CB C 13 30.314 0.3 . 1 . . . A 60 GLU CB . 18081 1 668 . 1 1 60 60 GLU CG C 13 36.665 0.3 . 1 . . . A 60 GLU CG . 18081 1 669 . 1 1 60 60 GLU N N 15 123.390 0.3 . 1 . . . A 60 GLU N . 18081 1 670 . 1 1 61 61 ILE H H 1 9.103 0.020 . 1 . . . A 61 ILE H . 18081 1 671 . 1 1 61 61 ILE HA H 1 4.822 0.020 . 1 . . . A 61 ILE HA . 18081 1 672 . 1 1 61 61 ILE HB H 1 2.252 0.020 . 1 . . . A 61 ILE HB . 18081 1 673 . 1 1 61 61 ILE HG12 H 1 2.364 0.020 . 2 . . . A 61 ILE HG12 . 18081 1 674 . 1 1 61 61 ILE HG13 H 1 1.237 0.020 . 2 . . . A 61 ILE HG13 . 18081 1 675 . 1 1 61 61 ILE HG21 H 1 -0.059 0.020 . 1 . . . A 61 ILE HG21 . 18081 1 676 . 1 1 61 61 ILE HG22 H 1 -0.059 0.020 . 1 . . . A 61 ILE HG22 . 18081 1 677 . 1 1 61 61 ILE HG23 H 1 -0.059 0.020 . 1 . . . A 61 ILE HG23 . 18081 1 678 . 1 1 61 61 ILE HD11 H 1 0.635 0.020 . 1 . . . A 61 ILE HD11 . 18081 1 679 . 1 1 61 61 ILE HD12 H 1 0.635 0.020 . 1 . . . A 61 ILE HD12 . 18081 1 680 . 1 1 61 61 ILE HD13 H 1 0.635 0.020 . 1 . . . A 61 ILE HD13 . 18081 1 681 . 1 1 61 61 ILE C C 13 175.267 0.3 . 1 . . . A 61 ILE C . 18081 1 682 . 1 1 61 61 ILE CA C 13 57.423 0.3 . 1 . . . A 61 ILE CA . 18081 1 683 . 1 1 61 61 ILE CB C 13 35.752 0.3 . 1 . . . A 61 ILE CB . 18081 1 684 . 1 1 61 61 ILE CG1 C 13 27.762 0.3 . 1 . . . A 61 ILE CG1 . 18081 1 685 . 1 1 61 61 ILE CG2 C 13 17.874 0.3 . 1 . . . A 61 ILE CG2 . 18081 1 686 . 1 1 61 61 ILE CD1 C 13 10.093 0.3 . 1 . . . A 61 ILE CD1 . 18081 1 687 . 1 1 61 61 ILE N N 15 130.883 0.3 . 1 . . . A 61 ILE N . 18081 1 688 . 1 1 62 62 VAL H H 1 8.992 0.020 . 1 . . . A 62 VAL H . 18081 1 689 . 1 1 62 62 VAL HA H 1 4.348 0.020 . 1 . . . A 62 VAL HA . 18081 1 690 . 1 1 62 62 VAL HB H 1 2.175 0.020 . 1 . . . A 62 VAL HB . 18081 1 691 . 1 1 62 62 VAL HG11 H 1 0.698 0.020 . 1 . . . A 62 VAL HG11 . 18081 1 692 . 1 1 62 62 VAL HG12 H 1 0.698 0.020 . 1 . . . A 62 VAL HG12 . 18081 1 693 . 1 1 62 62 VAL HG13 H 1 0.698 0.020 . 1 . . . A 62 VAL HG13 . 18081 1 694 . 1 1 62 62 VAL HG21 H 1 0.625 0.020 . 1 . . . A 62 VAL HG21 . 18081 1 695 . 1 1 62 62 VAL HG22 H 1 0.625 0.020 . 1 . . . A 62 VAL HG22 . 18081 1 696 . 1 1 62 62 VAL HG23 H 1 0.625 0.020 . 1 . . . A 62 VAL HG23 . 18081 1 697 . 1 1 62 62 VAL C C 13 175.598 0.3 . 1 . . . A 62 VAL C . 18081 1 698 . 1 1 62 62 VAL CA C 13 60.743 0.3 . 1 . . . A 62 VAL CA . 18081 1 699 . 1 1 62 62 VAL CB C 13 31.204 0.3 . 1 . . . A 62 VAL CB . 18081 1 700 . 1 1 62 62 VAL CG1 C 13 20.921 0.3 . 1 . . . A 62 VAL CG1 . 18081 1 701 . 1 1 62 62 VAL CG2 C 13 19.921 0.3 . 1 . . . A 62 VAL CG2 . 18081 1 702 . 1 1 62 62 VAL N N 15 127.879 0.3 . 1 . . . A 62 VAL N . 18081 1 703 . 1 1 63 63 PHE H H 1 9.521 0.020 . 1 . . . A 63 PHE H . 18081 1 704 . 1 1 63 63 PHE HA H 1 4.993 0.020 . 1 . . . A 63 PHE HA . 18081 1 705 . 1 1 63 63 PHE HB2 H 1 3.021 0.020 . 2 . . . A 63 PHE HB2 . 18081 1 706 . 1 1 63 63 PHE HB3 H 1 2.461 0.020 . 2 . . . A 63 PHE HB3 . 18081 1 707 . 1 1 63 63 PHE HD1 H 1 7.168 0.020 . 1 . . . A 63 PHE HD1 . 18081 1 708 . 1 1 63 63 PHE HD2 H 1 7.168 0.020 . 1 . . . A 63 PHE HD2 . 18081 1 709 . 1 1 63 63 PHE HE1 H 1 7.290 0.020 . 1 . . . A 63 PHE HE1 . 18081 1 710 . 1 1 63 63 PHE HE2 H 1 7.290 0.020 . 1 . . . A 63 PHE HE2 . 18081 1 711 . 1 1 63 63 PHE C C 13 175.507 0.3 . 1 . . . A 63 PHE C . 18081 1 712 . 1 1 63 63 PHE CA C 13 57.807 0.3 . 1 . . . A 63 PHE CA . 18081 1 713 . 1 1 63 63 PHE CB C 13 39.608 0.3 . 1 . . . A 63 PHE CB . 18081 1 714 . 1 1 63 63 PHE N N 15 125.354 0.3 . 1 . . . A 63 PHE N . 18081 1 715 . 1 1 64 64 LYS H H 1 8.977 0.020 . 1 . . . A 64 LYS H . 18081 1 716 . 1 1 64 64 LYS HA H 1 5.093 0.020 . 1 . . . A 64 LYS HA . 18081 1 717 . 1 1 64 64 LYS HB2 H 1 1.491 0.020 . 1 . . . A 64 LYS HB2 . 18081 1 718 . 1 1 64 64 LYS HB3 H 1 1.491 0.020 . 1 . . . A 64 LYS HB3 . 18081 1 719 . 1 1 64 64 LYS HG2 H 1 1.096 0.020 . 2 . . . A 64 LYS HG2 . 18081 1 720 . 1 1 64 64 LYS HG3 H 1 1.029 0.020 . 2 . . . A 64 LYS HG3 . 18081 1 721 . 1 1 64 64 LYS HD2 H 1 1.483 0.020 . 2 . . . A 64 LYS HD2 . 18081 1 722 . 1 1 64 64 LYS HD3 H 1 1.458 0.020 . 2 . . . A 64 LYS HD3 . 18081 1 723 . 1 1 64 64 LYS HE2 H 1 2.923 0.020 . 1 . . . A 64 LYS HE2 . 18081 1 724 . 1 1 64 64 LYS HE3 H 1 2.923 0.020 . 1 . . . A 64 LYS HE3 . 18081 1 725 . 1 1 64 64 LYS C C 13 175.877 0.3 . 1 . . . A 64 LYS C . 18081 1 726 . 1 1 64 64 LYS CA C 13 54.381 0.3 . 1 . . . A 64 LYS CA . 18081 1 727 . 1 1 64 64 LYS CB C 13 33.069 0.3 . 1 . . . A 64 LYS CB . 18081 1 728 . 1 1 64 64 LYS CG C 13 23.990 0.3 . 1 . . . A 64 LYS CG . 18081 1 729 . 1 1 64 64 LYS CD C 13 28.902 0.3 . 1 . . . A 64 LYS CD . 18081 1 730 . 1 1 64 64 LYS CE C 13 41.840 0.3 . 1 . . . A 64 LYS CE . 18081 1 731 . 1 1 64 64 LYS N N 15 123.471 0.3 . 1 . . . A 64 LYS N . 18081 1 732 . 1 1 65 65 ILE H H 1 9.390 0.020 . 1 . . . A 65 ILE H . 18081 1 733 . 1 1 65 65 ILE HA H 1 5.803 0.020 . 1 . . . A 65 ILE HA . 18081 1 734 . 1 1 65 65 ILE HB H 1 1.428 0.020 . 1 . . . A 65 ILE HB . 18081 1 735 . 1 1 65 65 ILE HG12 H 1 1.304 0.020 . 2 . . . A 65 ILE HG12 . 18081 1 736 . 1 1 65 65 ILE HG13 H 1 0.068 0.020 . 2 . . . A 65 ILE HG13 . 18081 1 737 . 1 1 65 65 ILE HG21 H 1 0.781 0.020 . 1 . . . A 65 ILE HG21 . 18081 1 738 . 1 1 65 65 ILE HG22 H 1 0.781 0.020 . 1 . . . A 65 ILE HG22 . 18081 1 739 . 1 1 65 65 ILE HG23 H 1 0.781 0.020 . 1 . . . A 65 ILE HG23 . 18081 1 740 . 1 1 65 65 ILE HD11 H 1 -0.180 0.020 . 1 . . . A 65 ILE HD11 . 18081 1 741 . 1 1 65 65 ILE HD12 H 1 -0.180 0.020 . 1 . . . A 65 ILE HD12 . 18081 1 742 . 1 1 65 65 ILE HD13 H 1 -0.180 0.020 . 1 . . . A 65 ILE HD13 . 18081 1 743 . 1 1 65 65 ILE C C 13 175.724 0.3 . 1 . . . A 65 ILE C . 18081 1 744 . 1 1 65 65 ILE CA C 13 59.764 0.3 . 1 . . . A 65 ILE CA . 18081 1 745 . 1 1 65 65 ILE CB C 13 41.388 0.3 . 1 . . . A 65 ILE CB . 18081 1 746 . 1 1 65 65 ILE CG1 C 13 27.240 0.3 . 1 . . . A 65 ILE CG1 . 18081 1 747 . 1 1 65 65 ILE CG2 C 13 20.333 0.3 . 1 . . . A 65 ILE CG2 . 18081 1 748 . 1 1 65 65 ILE CD1 C 13 14.321 0.3 . 1 . . . A 65 ILE CD1 . 18081 1 749 . 1 1 65 65 ILE N N 15 125.792 0.3 . 1 . . . A 65 ILE N . 18081 1 750 . 1 1 66 66 THR H H 1 8.176 0.020 . 1 . . . A 66 THR H . 18081 1 751 . 1 1 66 66 THR HA H 1 4.583 0.020 . 1 . . . A 66 THR HA . 18081 1 752 . 1 1 66 66 THR HB H 1 3.460 0.020 . 1 . . . A 66 THR HB . 18081 1 753 . 1 1 66 66 THR HG21 H 1 -0.481 0.020 . 1 . . . A 66 THR HG21 . 18081 1 754 . 1 1 66 66 THR HG22 H 1 -0.481 0.020 . 1 . . . A 66 THR HG22 . 18081 1 755 . 1 1 66 66 THR HG23 H 1 -0.481 0.020 . 1 . . . A 66 THR HG23 . 18081 1 756 . 1 1 66 66 THR C C 13 170.978 0.3 . 1 . . . A 66 THR C . 18081 1 757 . 1 1 66 66 THR CA C 13 61.233 0.3 . 1 . . . A 66 THR CA . 18081 1 758 . 1 1 66 66 THR CB C 13 70.456 0.3 . 1 . . . A 66 THR CB . 18081 1 759 . 1 1 66 66 THR CG2 C 13 15.784 0.3 . 1 . . . A 66 THR CG2 . 18081 1 760 . 1 1 66 66 THR N N 15 119.455 0.3 . 1 . . . A 66 THR N . 18081 1 761 . 1 1 67 67 SER H H 1 7.190 0.020 . 1 . . . A 67 SER H . 18081 1 762 . 1 1 67 67 SER HA H 1 6.316 0.020 . 1 . . . A 67 SER HA . 18081 1 763 . 1 1 67 67 SER HB2 H 1 3.083 0.020 . 2 . . . A 67 SER HB2 . 18081 1 764 . 1 1 67 67 SER HB3 H 1 3.890 0.020 . 2 . . . A 67 SER HB3 . 18081 1 765 . 1 1 67 67 SER C C 13 174.516 0.3 . 1 . . . A 67 SER C . 18081 1 766 . 1 1 67 67 SER CA C 13 51.222 0.3 . 1 . . . A 67 SER CA . 18081 1 767 . 1 1 67 67 SER CB C 13 66.501 0.3 . 1 . . . A 67 SER CB . 18081 1 768 . 1 1 67 67 SER N N 15 115.523 0.3 . 1 . . . A 67 SER N . 18081 1 769 . 1 1 68 68 PRO HA H 1 4.828 0.020 . 1 . . . A 68 PRO HA . 18081 1 770 . 1 1 68 68 PRO HB2 H 1 2.296 0.020 . 2 . . . A 68 PRO HB2 . 18081 1 771 . 1 1 68 68 PRO HB3 H 1 1.915 0.020 . 2 . . . A 68 PRO HB3 . 18081 1 772 . 1 1 68 68 PRO HG2 H 1 2.044 0.020 . 2 . . . A 68 PRO HG2 . 18081 1 773 . 1 1 68 68 PRO HG3 H 1 1.976 0.020 . 2 . . . A 68 PRO HG3 . 18081 1 774 . 1 1 68 68 PRO HD2 H 1 3.935 0.020 . 2 . . . A 68 PRO HD2 . 18081 1 775 . 1 1 68 68 PRO HD3 H 1 3.683 0.020 . 2 . . . A 68 PRO HD3 . 18081 1 776 . 1 1 68 68 PRO C C 13 174.360 0.3 . 1 . . . A 68 PRO C . 18081 1 777 . 1 1 68 68 PRO CA C 13 62.568 0.3 . 1 . . . A 68 PRO CA . 18081 1 778 . 1 1 68 68 PRO CB C 13 32.489 0.3 . 1 . . . A 68 PRO CB . 18081 1 779 . 1 1 68 68 PRO CG C 13 27.084 0.3 . 1 . . . A 68 PRO CG . 18081 1 780 . 1 1 68 68 PRO CD C 13 50.838 0.3 . 1 . . . A 68 PRO CD . 18081 1 781 . 1 1 69 69 ASP H H 1 8.594 0.020 . 1 . . . A 69 ASP H . 18081 1 782 . 1 1 69 69 ASP HA H 1 4.748 0.020 . 1 . . . A 69 ASP HA . 18081 1 783 . 1 1 69 69 ASP HB2 H 1 2.878 0.020 . 2 . . . A 69 ASP HB2 . 18081 1 784 . 1 1 69 69 ASP HB3 H 1 2.632 0.020 . 2 . . . A 69 ASP HB3 . 18081 1 785 . 1 1 69 69 ASP C C 13 173.775 0.3 . 1 . . . A 69 ASP C . 18081 1 786 . 1 1 69 69 ASP CA C 13 55.449 0.3 . 1 . . . A 69 ASP CA . 18081 1 787 . 1 1 69 69 ASP CB C 13 41.981 0.3 . 1 . . . A 69 ASP CB . 18081 1 788 . 1 1 69 69 ASP N N 15 120.505 0.3 . 1 . . . A 69 ASP N . 18081 1 789 . 1 1 70 70 VAL H H 1 11.274 0.020 . 1 . . . A 70 VAL H . 18081 1 790 . 1 1 70 70 VAL HA H 1 4.574 0.020 . 1 . . . A 70 VAL HA . 18081 1 791 . 1 1 70 70 VAL HB H 1 2.273 0.020 . 1 . . . A 70 VAL HB . 18081 1 792 . 1 1 70 70 VAL HG11 H 1 0.814 0.020 . 1 . . . A 70 VAL HG11 . 18081 1 793 . 1 1 70 70 VAL HG12 H 1 0.814 0.020 . 1 . . . A 70 VAL HG12 . 18081 1 794 . 1 1 70 70 VAL HG13 H 1 0.814 0.020 . 1 . . . A 70 VAL HG13 . 18081 1 795 . 1 1 70 70 VAL HG21 H 1 0.419 0.020 . 1 . . . A 70 VAL HG21 . 18081 1 796 . 1 1 70 70 VAL HG22 H 1 0.419 0.020 . 1 . . . A 70 VAL HG22 . 18081 1 797 . 1 1 70 70 VAL HG23 H 1 0.419 0.020 . 1 . . . A 70 VAL HG23 . 18081 1 798 . 1 1 70 70 VAL C C 13 174.866 0.3 . 1 . . . A 70 VAL C . 18081 1 799 . 1 1 70 70 VAL CA C 13 59.231 0.3 . 1 . . . A 70 VAL CA . 18081 1 800 . 1 1 70 70 VAL CB C 13 35.060 0.3 . 1 . . . A 70 VAL CB . 18081 1 801 . 1 1 70 70 VAL CG1 C 13 21.227 0.3 . 1 . . . A 70 VAL CG1 . 18081 1 802 . 1 1 70 70 VAL CG2 C 13 18.059 0.3 . 1 . . . A 70 VAL CG2 . 18081 1 803 . 1 1 70 70 VAL N N 15 121.145 0.3 . 1 . . . A 70 VAL N . 18081 1 804 . 1 1 71 71 ILE H H 1 7.611 0.020 . 1 . . . A 71 ILE H . 18081 1 805 . 1 1 71 71 ILE HA H 1 4.438 0.020 . 1 . . . A 71 ILE HA . 18081 1 806 . 1 1 71 71 ILE HB H 1 1.531 0.020 . 1 . . . A 71 ILE HB . 18081 1 807 . 1 1 71 71 ILE HG12 H 1 1.662 0.020 . 2 . . . A 71 ILE HG12 . 18081 1 808 . 1 1 71 71 ILE HG13 H 1 0.996 0.020 . 2 . . . A 71 ILE HG13 . 18081 1 809 . 1 1 71 71 ILE HG21 H 1 0.772 0.020 . 1 . . . A 71 ILE HG21 . 18081 1 810 . 1 1 71 71 ILE HG22 H 1 0.772 0.020 . 1 . . . A 71 ILE HG22 . 18081 1 811 . 1 1 71 71 ILE HG23 H 1 0.772 0.020 . 1 . . . A 71 ILE HG23 . 18081 1 812 . 1 1 71 71 ILE HD11 H 1 0.818 0.020 . 1 . . . A 71 ILE HD11 . 18081 1 813 . 1 1 71 71 ILE HD12 H 1 0.818 0.020 . 1 . . . A 71 ILE HD12 . 18081 1 814 . 1 1 71 71 ILE HD13 H 1 0.818 0.020 . 1 . . . A 71 ILE HD13 . 18081 1 815 . 1 1 71 71 ILE CA C 13 62.434 0.3 . 1 . . . A 71 ILE CA . 18081 1 816 . 1 1 71 71 ILE CB C 13 38.521 0.3 . 1 . . . A 71 ILE CB . 18081 1 817 . 1 1 71 71 ILE CG1 C 13 28.946 0.3 . 1 . . . A 71 ILE CG1 . 18081 1 818 . 1 1 71 71 ILE CG2 C 13 16.271 0.3 . 1 . . . A 71 ILE CG2 . 18081 1 819 . 1 1 71 71 ILE CD1 C 13 13.590 0.3 . 1 . . . A 71 ILE CD1 . 18081 1 820 . 1 1 71 71 ILE N N 15 120.820 0.3 . 1 . . . A 71 ILE N . 18081 1 821 . 1 1 73 73 GLY HA2 H 1 4.993 0.020 . 2 . . . A 73 GLY HA2 . 18081 1 822 . 1 1 73 73 GLY HA3 H 1 4.003 0.020 . 2 . . . A 73 GLY HA3 . 18081 1 823 . 1 1 73 73 GLY C C 13 172.580 0.3 . 1 . . . A 73 GLY C . 18081 1 824 . 1 1 73 73 GLY CA C 13 44.414 0.3 . 1 . . . A 73 GLY CA . 18081 1 825 . 1 1 74 74 PHE H H 1 8.712 0.020 . 1 . . . A 74 PHE H . 18081 1 826 . 1 1 74 74 PHE HA H 1 4.285 0.020 . 1 . . . A 74 PHE HA . 18081 1 827 . 1 1 74 74 PHE HB2 H 1 2.405 0.020 . 2 . . . A 74 PHE HB2 . 18081 1 828 . 1 1 74 74 PHE HB3 H 1 3.083 0.020 . 2 . . . A 74 PHE HB3 . 18081 1 829 . 1 1 74 74 PHE HD1 H 1 6.767 0.020 . 1 . . . A 74 PHE HD1 . 18081 1 830 . 1 1 74 74 PHE HD2 H 1 6.767 0.020 . 1 . . . A 74 PHE HD2 . 18081 1 831 . 1 1 74 74 PHE HE1 H 1 6.351 0.020 . 1 . . . A 74 PHE HE1 . 18081 1 832 . 1 1 74 74 PHE HE2 H 1 6.351 0.020 . 1 . . . A 74 PHE HE2 . 18081 1 833 . 1 1 74 74 PHE HZ H 1 5.951 0.020 . 1 . . . A 74 PHE HZ . 18081 1 834 . 1 1 74 74 PHE C C 13 171.502 0.3 . 1 . . . A 74 PHE C . 18081 1 835 . 1 1 74 74 PHE CA C 13 58.697 0.3 . 1 . . . A 74 PHE CA . 18081 1 836 . 1 1 74 74 PHE CB C 13 40.795 0.3 . 1 . . . A 74 PHE CB . 18081 1 837 . 1 1 74 74 PHE N N 15 123.714 0.3 . 1 . . . A 74 PHE N . 18081 1 838 . 1 1 75 75 HIS H H 1 7.635 0.020 . 1 . . . A 75 HIS H . 18081 1 839 . 1 1 75 75 HIS HA H 1 5.458 0.020 . 1 . . . A 75 HIS HA . 18081 1 840 . 1 1 75 75 HIS HB2 H 1 3.182 0.020 . 1 . . . A 75 HIS HB2 . 18081 1 841 . 1 1 75 75 HIS HB3 H 1 3.182 0.020 . 1 . . . A 75 HIS HB3 . 18081 1 842 . 1 1 75 75 HIS HD2 H 1 6.995 0.020 . 1 . . . A 75 HIS HD2 . 18081 1 843 . 1 1 75 75 HIS HE1 H 1 8.628 0.020 . 1 . . . A 75 HIS HE1 . 18081 1 844 . 1 1 75 75 HIS C C 13 172.817 0.3 . 1 . . . A 75 HIS C . 18081 1 845 . 1 1 75 75 HIS CA C 13 52.423 0.3 . 1 . . . A 75 HIS CA . 18081 1 846 . 1 1 75 75 HIS CB C 13 29.523 0.3 . 1 . . . A 75 HIS CB . 18081 1 847 . 1 1 75 75 HIS N N 15 125.470 0.3 . 1 . . . A 75 HIS N . 18081 1 848 . 1 1 76 76 VAL H H 1 6.558 0.020 . 1 . . . A 76 VAL H . 18081 1 849 . 1 1 76 76 VAL HA H 1 4.293 0.020 . 1 . . . A 76 VAL HA . 18081 1 850 . 1 1 76 76 VAL HB H 1 1.831 0.020 . 1 . . . A 76 VAL HB . 18081 1 851 . 1 1 76 76 VAL HG11 H 1 0.695 0.020 . 1 . . . A 76 VAL HG11 . 18081 1 852 . 1 1 76 76 VAL HG12 H 1 0.695 0.020 . 1 . . . A 76 VAL HG12 . 18081 1 853 . 1 1 76 76 VAL HG13 H 1 0.695 0.020 . 1 . . . A 76 VAL HG13 . 18081 1 854 . 1 1 76 76 VAL HG21 H 1 0.075 0.020 . 1 . . . A 76 VAL HG21 . 18081 1 855 . 1 1 76 76 VAL HG22 H 1 0.075 0.020 . 1 . . . A 76 VAL HG22 . 18081 1 856 . 1 1 76 76 VAL HG23 H 1 0.075 0.020 . 1 . . . A 76 VAL HG23 . 18081 1 857 . 1 1 76 76 VAL C C 13 175.843 0.3 . 1 . . . A 76 VAL C . 18081 1 858 . 1 1 76 76 VAL CA C 13 60.699 0.3 . 1 . . . A 76 VAL CA . 18081 1 859 . 1 1 76 76 VAL CB C 13 30.368 0.3 . 1 . . . A 76 VAL CB . 18081 1 860 . 1 1 76 76 VAL CG1 C 13 21.394 0.3 . 1 . . . A 76 VAL CG1 . 18081 1 861 . 1 1 76 76 VAL CG2 C 13 21.394 0.3 . 1 . . . A 76 VAL CG2 . 18081 1 862 . 1 1 76 76 VAL N N 15 124.569 0.3 . 1 . . . A 76 VAL N . 18081 1 863 . 1 1 77 77 GLU H H 1 8.977 0.020 . 1 . . . A 77 GLU H . 18081 1 864 . 1 1 77 77 GLU HA H 1 3.889 0.020 . 1 . . . A 77 GLU HA . 18081 1 865 . 1 1 77 77 GLU HB2 H 1 2.039 0.020 . 1 . . . A 77 GLU HB2 . 18081 1 866 . 1 1 77 77 GLU HB3 H 1 2.039 0.020 . 1 . . . A 77 GLU HB3 . 18081 1 867 . 1 1 77 77 GLU HG2 H 1 2.237 0.020 . 1 . . . A 77 GLU HG2 . 18081 1 868 . 1 1 77 77 GLU HG3 H 1 2.237 0.020 . 1 . . . A 77 GLU HG3 . 18081 1 869 . 1 1 77 77 GLU C C 13 176.941 0.3 . 1 . . . A 77 GLU C . 18081 1 870 . 1 1 77 77 GLU CA C 13 58.697 0.3 . 1 . . . A 77 GLU CA . 18081 1 871 . 1 1 77 77 GLU CB C 13 30.215 0.3 . 1 . . . A 77 GLU CB . 18081 1 872 . 1 1 77 77 GLU CG C 13 36.796 0.3 . 1 . . . A 77 GLU CG . 18081 1 873 . 1 1 77 77 GLU N N 15 132.091 0.3 . 1 . . . A 77 GLU N . 18081 1 874 . 1 1 78 78 GLY H H 1 8.968 0.020 . 1 . . . A 78 GLY H . 18081 1 875 . 1 1 78 78 GLY HA2 H 1 4.351 0.020 . 2 . . . A 78 GLY HA2 . 18081 1 876 . 1 1 78 78 GLY HA3 H 1 3.820 0.020 . 2 . . . A 78 GLY HA3 . 18081 1 877 . 1 1 78 78 GLY C C 13 174.152 0.3 . 1 . . . A 78 GLY C . 18081 1 878 . 1 1 78 78 GLY CA C 13 45.260 0.3 . 1 . . . A 78 GLY CA . 18081 1 879 . 1 1 78 78 GLY N N 15 111.725 0.3 . 1 . . . A 78 GLY N . 18081 1 880 . 1 1 79 79 THR H H 1 7.810 0.020 . 1 . . . A 79 THR H . 18081 1 881 . 1 1 79 79 THR HA H 1 4.949 0.020 . 1 . . . A 79 THR HA . 18081 1 882 . 1 1 79 79 THR HB H 1 3.593 0.020 . 1 . . . A 79 THR HB . 18081 1 883 . 1 1 79 79 THR C C 13 173.397 0.3 . 1 . . . A 79 THR C . 18081 1 884 . 1 1 79 79 THR CA C 13 60.076 0.3 . 1 . . . A 79 THR CA . 18081 1 885 . 1 1 79 79 THR CB C 13 72.829 0.3 . 1 . . . A 79 THR CB . 18081 1 886 . 1 1 79 79 THR CG2 C 13 20.740 0.3 . 1 . . . A 79 THR CG2 . 18081 1 887 . 1 1 79 79 THR N N 15 109.705 0.3 . 1 . . . A 79 THR N . 18081 1 888 . 1 1 80 80 ASN H H 1 7.856 0.020 . 1 . . . A 80 ASN H . 18081 1 889 . 1 1 80 80 ASN HA H 1 4.920 0.020 . 1 . . . A 80 ASN HA . 18081 1 890 . 1 1 80 80 ASN HB2 H 1 3.164 0.020 . 2 . . . A 80 ASN HB2 . 18081 1 891 . 1 1 80 80 ASN HB3 H 1 2.896 0.020 . 2 . . . A 80 ASN HB3 . 18081 1 892 . 1 1 80 80 ASN HD21 H 1 6.839 0.020 . 1 . . . A 80 ASN HD21 . 18081 1 893 . 1 1 80 80 ASN HD22 H 1 7.604 0.020 . 1 . . . A 80 ASN HD22 . 18081 1 894 . 1 1 80 80 ASN C C 13 175.665 0.3 . 1 . . . A 80 ASN C . 18081 1 895 . 1 1 80 80 ASN CA C 13 52.023 0.3 . 1 . . . A 80 ASN CA . 18081 1 896 . 1 1 80 80 ASN CB C 13 37.532 0.3 . 1 . . . A 80 ASN CB . 18081 1 897 . 1 1 80 80 ASN CG C 13 177.935 0.3 . 1 . . . A 80 ASN CG . 18081 1 898 . 1 1 80 80 ASN N N 15 116.427 0.3 . 1 . . . A 80 ASN N . 18081 1 899 . 1 1 80 80 ASN ND2 N 15 110.922 0.3 . 1 . . . A 80 ASN ND2 . 18081 1 900 . 1 1 81 81 ILE H H 1 8.493 0.020 . 1 . . . A 81 ILE H . 18081 1 901 . 1 1 81 81 ILE HA H 1 3.797 0.020 . 1 . . . A 81 ILE HA . 18081 1 902 . 1 1 81 81 ILE HB H 1 1.478 0.020 . 1 . . . A 81 ILE HB . 18081 1 903 . 1 1 81 81 ILE HG12 H 1 0.702 0.020 . 2 . . . A 81 ILE HG12 . 18081 1 904 . 1 1 81 81 ILE HG13 H 1 1.101 0.020 . 2 . . . A 81 ILE HG13 . 18081 1 905 . 1 1 81 81 ILE HG21 H 1 0.832 0.020 . 1 . . . A 81 ILE HG21 . 18081 1 906 . 1 1 81 81 ILE HG22 H 1 0.832 0.020 . 1 . . . A 81 ILE HG22 . 18081 1 907 . 1 1 81 81 ILE HG23 H 1 0.832 0.020 . 1 . . . A 81 ILE HG23 . 18081 1 908 . 1 1 81 81 ILE HD11 H 1 0.217 0.020 . 1 . . . A 81 ILE HD11 . 18081 1 909 . 1 1 81 81 ILE HD12 H 1 0.217 0.020 . 1 . . . A 81 ILE HD12 . 18081 1 910 . 1 1 81 81 ILE HD13 H 1 0.217 0.020 . 1 . . . A 81 ILE HD13 . 18081 1 911 . 1 1 81 81 ILE C C 13 176.564 0.3 . 1 . . . A 81 ILE C . 18081 1 912 . 1 1 81 81 ILE CA C 13 62.523 0.3 . 1 . . . A 81 ILE CA . 18081 1 913 . 1 1 81 81 ILE CB C 13 38.101 0.3 . 1 . . . A 81 ILE CB . 18081 1 914 . 1 1 81 81 ILE CG1 C 13 26.555 0.3 . 1 . . . A 81 ILE CG1 . 18081 1 915 . 1 1 81 81 ILE CG2 C 13 17.327 0.3 . 1 . . . A 81 ILE CG2 . 18081 1 916 . 1 1 81 81 ILE CD1 C 13 12.127 0.3 . 1 . . . A 81 ILE CD1 . 18081 1 917 . 1 1 81 81 ILE N N 15 121.552 0.3 . 1 . . . A 81 ILE N . 18081 1 918 . 1 1 82 82 ASN H H 1 9.052 0.020 . 1 . . . A 82 ASN H . 18081 1 919 . 1 1 82 82 ASN HA H 1 5.151 0.020 . 1 . . . A 82 ASN HA . 18081 1 920 . 1 1 82 82 ASN HB2 H 1 2.546 0.020 . 2 . . . A 82 ASN HB2 . 18081 1 921 . 1 1 82 82 ASN HB3 H 1 2.792 0.020 . 2 . . . A 82 ASN HB3 . 18081 1 922 . 1 1 82 82 ASN HD21 H 1 6.783 0.020 . 1 . . . A 82 ASN HD21 . 18081 1 923 . 1 1 82 82 ASN HD22 H 1 7.383 0.020 . 1 . . . A 82 ASN HD22 . 18081 1 924 . 1 1 82 82 ASN C C 13 173.025 0.3 . 1 . . . A 82 ASN C . 18081 1 925 . 1 1 82 82 ASN CA C 13 54.267 0.3 . 1 . . . A 82 ASN CA . 18081 1 926 . 1 1 82 82 ASN CB C 13 39.806 0.3 . 1 . . . A 82 ASN CB . 18081 1 927 . 1 1 82 82 ASN CG C 13 177.319 0.3 . 1 . . . A 82 ASN CG . 18081 1 928 . 1 1 82 82 ASN N N 15 131.785 0.3 . 1 . . . A 82 ASN N . 18081 1 929 . 1 1 82 82 ASN ND2 N 15 113.014 0.3 . 1 . . . A 82 ASN ND2 . 18081 1 930 . 1 1 83 83 VAL H H 1 8.356 0.020 . 1 . . . A 83 VAL H . 18081 1 931 . 1 1 83 83 VAL HA H 1 4.665 0.020 . 1 . . . A 83 VAL HA . 18081 1 932 . 1 1 83 83 VAL HB H 1 2.171 0.020 . 1 . . . A 83 VAL HB . 18081 1 933 . 1 1 83 83 VAL HG11 H 1 0.999 0.020 . 1 . . . A 83 VAL HG11 . 18081 1 934 . 1 1 83 83 VAL HG12 H 1 0.999 0.020 . 1 . . . A 83 VAL HG12 . 18081 1 935 . 1 1 83 83 VAL HG13 H 1 0.999 0.020 . 1 . . . A 83 VAL HG13 . 18081 1 936 . 1 1 83 83 VAL HG21 H 1 0.917 0.020 . 1 . . . A 83 VAL HG21 . 18081 1 937 . 1 1 83 83 VAL HG22 H 1 0.917 0.020 . 1 . . . A 83 VAL HG22 . 18081 1 938 . 1 1 83 83 VAL HG23 H 1 0.917 0.020 . 1 . . . A 83 VAL HG23 . 18081 1 939 . 1 1 83 83 VAL C C 13 173.954 0.3 . 1 . . . A 83 VAL C . 18081 1 940 . 1 1 83 83 VAL CA C 13 60.120 0.3 . 1 . . . A 83 VAL CA . 18081 1 941 . 1 1 83 83 VAL CB C 13 35.653 0.3 . 1 . . . A 83 VAL CB . 18081 1 942 . 1 1 83 83 VAL CG1 C 13 21.390 0.3 . 1 . . . A 83 VAL CG1 . 18081 1 943 . 1 1 83 83 VAL CG2 C 13 20.427 0.3 . 1 . . . A 83 VAL CG2 . 18081 1 944 . 1 1 83 83 VAL N N 15 120.866 0.3 . 1 . . . A 83 VAL N . 18081 1 945 . 1 1 84 84 GLU H H 1 8.534 0.020 . 1 . . . A 84 GLU H . 18081 1 946 . 1 1 84 84 GLU HA H 1 4.587 0.020 . 1 . . . A 84 GLU HA . 18081 1 947 . 1 1 84 84 GLU HB2 H 1 1.892 0.020 . 1 . . . A 84 GLU HB2 . 18081 1 948 . 1 1 84 84 GLU HB3 H 1 1.892 0.020 . 1 . . . A 84 GLU HB3 . 18081 1 949 . 1 1 84 84 GLU HG2 H 1 2.159 0.020 . 1 . . . A 84 GLU HG2 . 18081 1 950 . 1 1 84 84 GLU HG3 H 1 2.159 0.020 . 1 . . . A 84 GLU HG3 . 18081 1 951 . 1 1 84 84 GLU C C 13 174.600 0.3 . 1 . . . A 84 GLU C . 18081 1 952 . 1 1 84 84 GLU CA C 13 56.027 0.3 . 1 . . . A 84 GLU CA . 18081 1 953 . 1 1 84 84 GLU CB C 13 30.809 0.3 . 1 . . . A 84 GLU CB . 18081 1 954 . 1 1 84 84 GLU CG C 13 36.665 0.3 . 1 . . . A 84 GLU CG . 18081 1 955 . 1 1 84 84 GLU N N 15 125.997 0.3 . 1 . . . A 84 GLU N . 18081 1 956 . 1 1 85 85 VAL H H 1 8.782 0.020 . 1 . . . A 85 VAL H . 18081 1 957 . 1 1 85 85 VAL HA H 1 4.049 0.020 . 1 . . . A 85 VAL HA . 18081 1 958 . 1 1 85 85 VAL HB H 1 1.819 0.020 . 1 . . . A 85 VAL HB . 18081 1 959 . 1 1 85 85 VAL HG11 H 1 0.687 0.020 . 1 . . . A 85 VAL HG11 . 18081 1 960 . 1 1 85 85 VAL HG12 H 1 0.687 0.020 . 1 . . . A 85 VAL HG12 . 18081 1 961 . 1 1 85 85 VAL HG13 H 1 0.687 0.020 . 1 . . . A 85 VAL HG13 . 18081 1 962 . 1 1 85 85 VAL HG21 H 1 0.687 0.020 . 1 . . . A 85 VAL HG21 . 18081 1 963 . 1 1 85 85 VAL HG22 H 1 0.687 0.020 . 1 . . . A 85 VAL HG22 . 18081 1 964 . 1 1 85 85 VAL HG23 H 1 0.687 0.020 . 1 . . . A 85 VAL HG23 . 18081 1 965 . 1 1 85 85 VAL C C 13 173.256 0.3 . 1 . . . A 85 VAL C . 18081 1 966 . 1 1 85 85 VAL CA C 13 61.517 0.3 . 1 . . . A 85 VAL CA . 18081 1 967 . 1 1 85 85 VAL CB C 13 32.786 0.3 . 1 . . . A 85 VAL CB . 18081 1 968 . 1 1 85 85 VAL CG1 C 13 20.618 0.3 . 1 . . . A 85 VAL CG1 . 18081 1 969 . 1 1 85 85 VAL CG2 C 13 20.618 0.3 . 1 . . . A 85 VAL CG2 . 18081 1 970 . 1 1 85 85 VAL N N 15 125.888 0.3 . 1 . . . A 85 VAL N . 18081 1 971 . 1 1 86 86 LEU H H 1 9.131 0.020 . 1 . . . A 86 LEU H . 18081 1 972 . 1 1 86 86 LEU HA H 1 4.801 0.020 . 1 . . . A 86 LEU HA . 18081 1 973 . 1 1 86 86 LEU CA C 13 51.934 0.3 . 1 . . . A 86 LEU CA . 18081 1 974 . 1 1 86 86 LEU CB C 13 42.410 0.3 . 1 . . . A 86 LEU CB . 18081 1 975 . 1 1 86 86 LEU N N 15 128.745 0.3 . 1 . . . A 86 LEU N . 18081 1 976 . 1 1 87 87 PRO HA H 1 4.664 0.020 . 1 . . . A 87 PRO HA . 18081 1 977 . 1 1 87 87 PRO HB2 H 1 1.727 0.020 . 1 . . . A 87 PRO HB2 . 18081 1 978 . 1 1 87 87 PRO HB3 H 1 1.727 0.020 . 1 . . . A 87 PRO HB3 . 18081 1 979 . 1 1 87 87 PRO HD2 H 1 3.576 0.020 . 2 . . . A 87 PRO HD2 . 18081 1 980 . 1 1 87 87 PRO HD3 H 1 3.531 0.020 . 2 . . . A 87 PRO HD3 . 18081 1 981 . 1 1 87 87 PRO C C 13 178.454 0.3 . 1 . . . A 87 PRO C . 18081 1 982 . 1 1 87 87 PRO CA C 13 62.612 0.3 . 1 . . . A 87 PRO CA . 18081 1 983 . 1 1 87 87 PRO CB C 13 31.205 0.3 . 1 . . . A 87 PRO CB . 18081 1 984 . 1 1 87 87 PRO CG C 13 27.702 0.3 . 1 . . . A 87 PRO CG . 18081 1 985 . 1 1 87 87 PRO CD C 13 50.004 0.3 . 1 . . . A 87 PRO CD . 18081 1 986 . 1 1 88 88 GLY H H 1 9.103 0.020 . 1 . . . A 88 GLY H . 18081 1 987 . 1 1 88 88 GLY HA2 H 1 4.273 0.020 . 2 . . . A 88 GLY HA2 . 18081 1 988 . 1 1 88 88 GLY HA3 H 1 4.020 0.020 . 2 . . . A 88 GLY HA3 . 18081 1 989 . 1 1 88 88 GLY C C 13 173.451 0.3 . 1 . . . A 88 GLY C . 18081 1 990 . 1 1 88 88 GLY CA C 13 45.082 0.3 . 1 . . . A 88 GLY CA . 18081 1 991 . 1 1 88 88 GLY N N 15 112.804 0.3 . 1 . . . A 88 GLY N . 18081 1 992 . 1 1 89 89 GLU H H 1 7.764 0.020 . 1 . . . A 89 GLU H . 18081 1 993 . 1 1 89 89 GLU HA H 1 5.100 0.020 . 1 . . . A 89 GLU HA . 18081 1 994 . 1 1 89 89 GLU HB2 H 1 2.046 0.020 . 2 . . . A 89 GLU HB2 . 18081 1 995 . 1 1 89 89 GLU HB3 H 1 1.862 0.020 . 2 . . . A 89 GLU HB3 . 18081 1 996 . 1 1 89 89 GLU HG2 H 1 2.150 0.020 . 2 . . . A 89 GLU HG2 . 18081 1 997 . 1 1 89 89 GLU HG3 H 1 2.073 0.020 . 2 . . . A 89 GLU HG3 . 18081 1 998 . 1 1 89 89 GLU C C 13 176.719 0.3 . 1 . . . A 89 GLU C . 18081 1 999 . 1 1 89 89 GLU CA C 13 54.247 0.3 . 1 . . . A 89 GLU CA . 18081 1 1000 . 1 1 89 89 GLU CB C 13 32.863 0.3 . 1 . . . A 89 GLU CB . 18081 1 1001 . 1 1 89 89 GLU CG C 13 35.867 0.3 . 1 . . . A 89 GLU CG . 18081 1 1002 . 1 1 89 89 GLU N N 15 118.355 0.3 . 1 . . . A 89 GLU N . 18081 1 1003 . 1 1 90 90 VAL H H 1 8.830 0.020 . 1 . . . A 90 VAL H . 18081 1 1004 . 1 1 90 90 VAL HA H 1 4.500 0.020 . 1 . . . A 90 VAL HA . 18081 1 1005 . 1 1 90 90 VAL HB H 1 2.063 0.020 . 1 . . . A 90 VAL HB . 18081 1 1006 . 1 1 90 90 VAL HG11 H 1 0.870 0.020 . 1 . . . A 90 VAL HG11 . 18081 1 1007 . 1 1 90 90 VAL HG12 H 1 0.870 0.020 . 1 . . . A 90 VAL HG12 . 18081 1 1008 . 1 1 90 90 VAL HG13 H 1 0.870 0.020 . 1 . . . A 90 VAL HG13 . 18081 1 1009 . 1 1 90 90 VAL HG21 H 1 1.066 0.020 . 1 . . . A 90 VAL HG21 . 18081 1 1010 . 1 1 90 90 VAL HG22 H 1 1.066 0.020 . 1 . . . A 90 VAL HG22 . 18081 1 1011 . 1 1 90 90 VAL HG23 H 1 1.066 0.020 . 1 . . . A 90 VAL HG23 . 18081 1 1012 . 1 1 90 90 VAL C C 13 176.838 0.3 . 1 . . . A 90 VAL C . 18081 1 1013 . 1 1 90 90 VAL CA C 13 61.856 0.3 . 1 . . . A 90 VAL CA . 18081 1 1014 . 1 1 90 90 VAL CB C 13 33.138 0.3 . 1 . . . A 90 VAL CB . 18081 1 1015 . 1 1 90 90 VAL CG1 C 13 21.958 0.3 . 1 . . . A 90 VAL CG1 . 18081 1 1016 . 1 1 90 90 VAL CG2 C 13 21.958 0.3 . 1 . . . A 90 VAL CG2 . 18081 1 1017 . 1 1 90 90 VAL N N 15 127.142 0.3 . 1 . . . A 90 VAL N . 18081 1 1018 . 1 1 91 91 SER H H 1 9.710 0.020 . 1 . . . A 91 SER H . 18081 1 1019 . 1 1 91 91 SER HA H 1 4.924 0.020 . 1 . . . A 91 SER HA . 18081 1 1020 . 1 1 91 91 SER HB2 H 1 3.842 0.020 . 2 . . . A 91 SER HB2 . 18081 1 1021 . 1 1 91 91 SER HB3 H 1 3.720 0.020 . 2 . . . A 91 SER HB3 . 18081 1 1022 . 1 1 91 91 SER C C 13 173.015 0.3 . 1 . . . A 91 SER C . 18081 1 1023 . 1 1 91 91 SER CA C 13 58.118 0.3 . 1 . . . A 91 SER CA . 18081 1 1024 . 1 1 91 91 SER CB C 13 63.931 0.3 . 1 . . . A 91 SER CB . 18081 1 1025 . 1 1 91 91 SER N N 15 127.859 0.3 . 1 . . . A 91 SER N . 18081 1 1026 . 1 1 92 92 THR H H 1 8.864 0.020 . 1 . . . A 92 THR H . 18081 1 1027 . 1 1 92 92 THR HA H 1 5.682 0.020 . 1 . . . A 92 THR HA . 18081 1 1028 . 1 1 92 92 THR HB H 1 3.969 0.020 . 1 . . . A 92 THR HB . 18081 1 1029 . 1 1 92 92 THR HG21 H 1 1.079 0.020 . 1 . . . A 92 THR HG21 . 18081 1 1030 . 1 1 92 92 THR HG22 H 1 1.079 0.020 . 1 . . . A 92 THR HG22 . 18081 1 1031 . 1 1 92 92 THR HG23 H 1 1.079 0.020 . 1 . . . A 92 THR HG23 . 18081 1 1032 . 1 1 92 92 THR C C 13 174.480 0.3 . 1 . . . A 92 THR C . 18081 1 1033 . 1 1 92 92 THR CA C 13 61.856 0.3 . 1 . . . A 92 THR CA . 18081 1 1034 . 1 1 92 92 THR CB C 13 70.160 0.3 . 1 . . . A 92 THR CB . 18081 1 1035 . 1 1 92 92 THR CG2 C 13 20.902 0.3 . 1 . . . A 92 THR CG2 . 18081 1 1036 . 1 1 92 92 THR N N 15 122.627 0.3 . 1 . . . A 92 THR N . 18081 1 1037 . 1 1 93 93 VAL H H 1 8.806 0.020 . 1 . . . A 93 VAL H . 18081 1 1038 . 1 1 93 93 VAL HA H 1 4.507 0.020 . 1 . . . A 93 VAL HA . 18081 1 1039 . 1 1 93 93 VAL HB H 1 2.063 0.020 . 1 . . . A 93 VAL HB . 18081 1 1040 . 1 1 93 93 VAL HG11 H 1 0.948 0.020 . 1 . . . A 93 VAL HG11 . 18081 1 1041 . 1 1 93 93 VAL HG12 H 1 0.948 0.020 . 1 . . . A 93 VAL HG12 . 18081 1 1042 . 1 1 93 93 VAL HG13 H 1 0.948 0.020 . 1 . . . A 93 VAL HG13 . 18081 1 1043 . 1 1 93 93 VAL HG21 H 1 1.001 0.020 . 1 . . . A 93 VAL HG21 . 18081 1 1044 . 1 1 93 93 VAL HG22 H 1 1.001 0.020 . 1 . . . A 93 VAL HG22 . 18081 1 1045 . 1 1 93 93 VAL HG23 H 1 1.001 0.020 . 1 . . . A 93 VAL HG23 . 18081 1 1046 . 1 1 93 93 VAL C C 13 173.002 0.3 . 1 . . . A 93 VAL C . 18081 1 1047 . 1 1 93 93 VAL CA C 13 60.654 0.3 . 1 . . . A 93 VAL CA . 18081 1 1048 . 1 1 93 93 VAL CB C 13 35.653 0.3 . 1 . . . A 93 VAL CB . 18081 1 1049 . 1 1 93 93 VAL CG1 C 13 21.227 0.3 . 1 . . . A 93 VAL CG1 . 18081 1 1050 . 1 1 93 93 VAL CG2 C 13 21.216 0.3 . 1 . . . A 93 VAL CG2 . 18081 1 1051 . 1 1 93 93 VAL N N 15 126.698 0.3 . 1 . . . A 93 VAL N . 18081 1 1052 . 1 1 94 94 ARG H H 1 8.630 0.020 . 1 . . . A 94 ARG H . 18081 1 1053 . 1 1 94 94 ARG HA H 1 5.890 0.020 . 1 . . . A 94 ARG HA . 18081 1 1054 . 1 1 94 94 ARG HB2 H 1 1.717 0.020 . 1 . . . A 94 ARG HB2 . 18081 1 1055 . 1 1 94 94 ARG HB3 H 1 1.717 0.020 . 1 . . . A 94 ARG HB3 . 18081 1 1056 . 1 1 94 94 ARG HG2 H 1 1.596 0.020 . 2 . . . A 94 ARG HG2 . 18081 1 1057 . 1 1 94 94 ARG HG3 H 1 1.488 0.020 . 2 . . . A 94 ARG HG3 . 18081 1 1058 . 1 1 94 94 ARG HD2 H 1 3.134 0.020 . 1 . . . A 94 ARG HD2 . 18081 1 1059 . 1 1 94 94 ARG HD3 H 1 3.134 0.020 . 1 . . . A 94 ARG HD3 . 18081 1 1060 . 1 1 94 94 ARG C C 13 175.885 0.3 . 1 . . . A 94 ARG C . 18081 1 1061 . 1 1 94 94 ARG CA C 13 54.381 0.3 . 1 . . . A 94 ARG CA . 18081 1 1062 . 1 1 94 94 ARG CB C 13 32.588 0.3 . 1 . . . A 94 ARG CB . 18081 1 1063 . 1 1 94 94 ARG CG C 13 28.125 0.3 . 1 . . . A 94 ARG CG . 18081 1 1064 . 1 1 94 94 ARG CD C 13 43.071 0.3 . 1 . . . A 94 ARG CD . 18081 1 1065 . 1 1 94 94 ARG N N 15 126.396 0.3 . 1 . . . A 94 ARG N . 18081 1 1066 . 1 1 95 95 TYR H H 1 9.623 0.020 . 1 . . . A 95 TYR H . 18081 1 1067 . 1 1 95 95 TYR HA H 1 4.320 0.020 . 1 . . . A 95 TYR HA . 18081 1 1068 . 1 1 95 95 TYR HB2 H 1 2.278 0.020 . 2 . . . A 95 TYR HB2 . 18081 1 1069 . 1 1 95 95 TYR HB3 H 1 2.823 0.020 . 2 . . . A 95 TYR HB3 . 18081 1 1070 . 1 1 95 95 TYR HD1 H 1 5.967 0.020 . 1 . . . A 95 TYR HD1 . 18081 1 1071 . 1 1 95 95 TYR HD2 H 1 5.967 0.020 . 1 . . . A 95 TYR HD2 . 18081 1 1072 . 1 1 95 95 TYR HE1 H 1 6.457 0.020 . 1 . . . A 95 TYR HE1 . 18081 1 1073 . 1 1 95 95 TYR HE2 H 1 6.457 0.020 . 1 . . . A 95 TYR HE2 . 18081 1 1074 . 1 1 95 95 TYR C C 13 172.683 0.3 . 1 . . . A 95 TYR C . 18081 1 1075 . 1 1 95 95 TYR CA C 13 59.586 0.3 . 1 . . . A 95 TYR CA . 18081 1 1076 . 1 1 95 95 TYR CB C 13 44.453 0.3 . 1 . . . A 95 TYR CB . 18081 1 1077 . 1 1 95 95 TYR N N 15 126.390 0.3 . 1 . . . A 95 TYR N . 18081 1 1078 . 1 1 96 96 THR H H 1 6.742 0.020 . 1 . . . A 96 THR H . 18081 1 1079 . 1 1 96 96 THR HA H 1 4.684 0.020 . 1 . . . A 96 THR HA . 18081 1 1080 . 1 1 96 96 THR HB H 1 3.540 0.020 . 1 . . . A 96 THR HB . 18081 1 1081 . 1 1 96 96 THR HG21 H 1 0.749 0.020 . 1 . . . A 96 THR HG21 . 18081 1 1082 . 1 1 96 96 THR HG22 H 1 0.749 0.020 . 1 . . . A 96 THR HG22 . 18081 1 1083 . 1 1 96 96 THR HG23 H 1 0.749 0.020 . 1 . . . A 96 THR HG23 . 18081 1 1084 . 1 1 96 96 THR C C 13 172.729 0.3 . 1 . . . A 96 THR C . 18081 1 1085 . 1 1 96 96 THR CA C 13 61.322 0.3 . 1 . . . A 96 THR CA . 18081 1 1086 . 1 1 96 96 THR CB C 13 70.160 0.3 . 1 . . . A 96 THR CB . 18081 1 1087 . 1 1 96 96 THR CG2 C 13 19.733 0.3 . 1 . . . A 96 THR CG2 . 18081 1 1088 . 1 1 96 96 THR N N 15 121.396 0.3 . 1 . . . A 96 THR N . 18081 1 1089 . 1 1 97 97 PHE H H 1 8.933 0.020 . 1 . . . A 97 PHE H . 18081 1 1090 . 1 1 97 97 PHE HA H 1 4.453 0.020 . 1 . . . A 97 PHE HA . 18081 1 1091 . 1 1 97 97 PHE HB2 H 1 3.115 0.020 . 2 . . . A 97 PHE HB2 . 18081 1 1092 . 1 1 97 97 PHE HB3 H 1 2.783 0.020 . 2 . . . A 97 PHE HB3 . 18081 1 1093 . 1 1 97 97 PHE HD1 H 1 7.107 0.020 . 3 . . . A 97 PHE HD1 . 18081 1 1094 . 1 1 97 97 PHE HD2 H 1 7.107 0.020 . 3 . . . A 97 PHE HD2 . 18081 1 1095 . 1 1 97 97 PHE C C 13 176.075 0.3 . 1 . . . A 97 PHE C . 18081 1 1096 . 1 1 97 97 PHE CA C 13 58.207 0.3 . 1 . . . A 97 PHE CA . 18081 1 1097 . 1 1 97 97 PHE CB C 13 39.908 0.3 . 1 . . . A 97 PHE CB . 18081 1 1098 . 1 1 97 97 PHE N N 15 126.539 0.3 . 1 . . . A 97 PHE N . 18081 1 1099 . 1 1 98 98 LYS H H 1 8.604 0.020 . 1 . . . A 98 LYS H . 18081 1 1100 . 1 1 98 98 LYS HA H 1 4.393 0.020 . 1 . . . A 98 LYS HA . 18081 1 1101 . 1 1 98 98 LYS HB2 H 1 1.747 0.020 . 2 . . . A 98 LYS HB2 . 18081 1 1102 . 1 1 98 98 LYS HB3 H 1 1.986 0.020 . 2 . . . A 98 LYS HB3 . 18081 1 1103 . 1 1 98 98 LYS C C 13 175.939 0.3 . 1 . . . A 98 LYS C . 18081 1 1104 . 1 1 98 98 LYS CA C 13 56.783 0.3 . 1 . . . A 98 LYS CA . 18081 1 1105 . 1 1 98 98 LYS CB C 13 32.984 0.3 . 1 . . . A 98 LYS CB . 18081 1 1106 . 1 1 98 98 LYS N N 15 123.417 0.3 . 1 . . . A 98 LYS N . 18081 1 1107 . 1 1 99 99 ARG H H 1 7.801 0.020 . 1 . . . A 99 ARG H . 18081 1 1108 . 1 1 99 99 ARG HA H 1 5.020 0.020 . 1 . . . A 99 ARG HA . 18081 1 1109 . 1 1 99 99 ARG HB2 H 1 1.961 0.020 . 2 . . . A 99 ARG HB2 . 18081 1 1110 . 1 1 99 99 ARG HB3 H 1 1.805 0.020 . 2 . . . A 99 ARG HB3 . 18081 1 1111 . 1 1 99 99 ARG HG2 H 1 1.735 0.020 . 1 . . . A 99 ARG HG2 . 18081 1 1112 . 1 1 99 99 ARG HG3 H 1 1.735 0.020 . 1 . . . A 99 ARG HG3 . 18081 1 1113 . 1 1 99 99 ARG HD2 H 1 3.289 0.020 . 2 . . . A 99 ARG HD2 . 18081 1 1114 . 1 1 99 99 ARG HD3 H 1 3.260 0.020 . 2 . . . A 99 ARG HD3 . 18081 1 1115 . 1 1 99 99 ARG C C 13 174.332 0.3 . 1 . . . A 99 ARG C . 18081 1 1116 . 1 1 99 99 ARG CA C 13 52.601 0.3 . 1 . . . A 99 ARG CA . 18081 1 1117 . 1 1 99 99 ARG CB C 13 31.600 0.3 . 1 . . . A 99 ARG CB . 18081 1 1118 . 1 1 99 99 ARG CG C 13 26.265 0.3 . 1 . . . A 99 ARG CG . 18081 1 1119 . 1 1 99 99 ARG CD C 13 43.061 0.3 . 1 . . . A 99 ARG CD . 18081 1 1120 . 1 1 99 99 ARG N N 15 118.424 0.3 . 1 . . . A 99 ARG N . 18081 1 1121 . 1 1 100 100 PRO HA H 1 4.383 0.020 . 1 . . . A 100 PRO HA . 18081 1 1122 . 1 1 100 100 PRO HB2 H 1 2.043 0.020 . 1 . . . A 100 PRO HB2 . 18081 1 1123 . 1 1 100 100 PRO HB3 H 1 2.043 0.020 . 1 . . . A 100 PRO HB3 . 18081 1 1124 . 1 1 100 100 PRO HG2 H 1 2.046 0.020 . 2 . . . A 100 PRO HG2 . 18081 1 1125 . 1 1 100 100 PRO HG3 H 1 1.979 0.020 . 2 . . . A 100 PRO HG3 . 18081 1 1126 . 1 1 100 100 PRO HD2 H 1 3.936 0.020 . 2 . . . A 100 PRO HD2 . 18081 1 1127 . 1 1 100 100 PRO HD3 H 1 3.682 0.020 . 2 . . . A 100 PRO HD3 . 18081 1 1128 . 1 1 100 100 PRO C C 13 175.190 0.3 . 1 . . . A 100 PRO C . 18081 1 1129 . 1 1 100 100 PRO CA C 13 62.568 0.3 . 1 . . . A 100 PRO CA . 18081 1 1130 . 1 1 100 100 PRO CB C 13 32.588 0.3 . 1 . . . A 100 PRO CB . 18081 1 1131 . 1 1 100 100 PRO CG C 13 27.109 0.3 . 1 . . . A 100 PRO CG . 18081 1 1132 . 1 1 100 100 PRO CD C 13 50.883 0.3 . 1 . . . A 100 PRO CD . 18081 1 1133 . 1 1 101 101 GLY H H 1 8.685 0.020 . 1 . . . A 101 GLY H . 18081 1 1134 . 1 1 101 101 GLY HA2 H 1 4.355 0.020 . 2 . . . A 101 GLY HA2 . 18081 1 1135 . 1 1 101 101 GLY HA3 H 1 3.774 0.020 . 2 . . . A 101 GLY HA3 . 18081 1 1136 . 1 1 101 101 GLY C C 13 171.375 0.3 . 1 . . . A 101 GLY C . 18081 1 1137 . 1 1 101 101 GLY CA C 13 44.103 0.3 . 1 . . . A 101 GLY CA . 18081 1 1138 . 1 1 101 101 GLY N N 15 108.626 0.3 . 1 . . . A 101 GLY N . 18081 1 1139 . 1 1 102 102 GLU H H 1 8.144 0.020 . 1 . . . A 102 GLU H . 18081 1 1140 . 1 1 102 102 GLU HA H 1 5.151 0.020 . 1 . . . A 102 GLU HA . 18081 1 1141 . 1 1 102 102 GLU HB2 H 1 1.760 0.020 . 2 . . . A 102 GLU HB2 . 18081 1 1142 . 1 1 102 102 GLU HB3 H 1 1.839 0.020 . 2 . . . A 102 GLU HB3 . 18081 1 1143 . 1 1 102 102 GLU HG2 H 1 2.022 0.020 . 2 . . . A 102 GLU HG2 . 18081 1 1144 . 1 1 102 102 GLU HG3 H 1 2.221 0.020 . 2 . . . A 102 GLU HG3 . 18081 1 1145 . 1 1 102 102 GLU C C 13 176.066 0.3 . 1 . . . A 102 GLU C . 18081 1 1146 . 1 1 102 102 GLU CA C 13 55.404 0.3 . 1 . . . A 102 GLU CA . 18081 1 1147 . 1 1 102 102 GLU CB C 13 31.204 0.3 . 1 . . . A 102 GLU CB . 18081 1 1148 . 1 1 102 102 GLU CG C 13 36.901 0.3 . 1 . . . A 102 GLU CG . 18081 1 1149 . 1 1 102 102 GLU N N 15 119.327 0.3 . 1 . . . A 102 GLU N . 18081 1 1150 . 1 1 103 103 TYR H H 1 9.687 0.020 . 1 . . . A 103 TYR H . 18081 1 1151 . 1 1 103 103 TYR HA H 1 4.646 0.020 . 1 . . . A 103 TYR HA . 18081 1 1152 . 1 1 103 103 TYR HB2 H 1 2.683 0.020 . 1 . . . A 103 TYR HB2 . 18081 1 1153 . 1 1 103 103 TYR HB3 H 1 2.683 0.020 . 1 . . . A 103 TYR HB3 . 18081 1 1154 . 1 1 103 103 TYR HD1 H 1 7.133 0.020 . 1 . . . A 103 TYR HD1 . 18081 1 1155 . 1 1 103 103 TYR HD2 H 1 7.133 0.020 . 1 . . . A 103 TYR HD2 . 18081 1 1156 . 1 1 103 103 TYR HE1 H 1 6.657 0.020 . 1 . . . A 103 TYR HE1 . 18081 1 1157 . 1 1 103 103 TYR HE2 H 1 6.657 0.020 . 1 . . . A 103 TYR HE2 . 18081 1 1158 . 1 1 103 103 TYR C C 13 174.711 0.3 . 1 . . . A 103 TYR C . 18081 1 1159 . 1 1 103 103 TYR CA C 13 56.338 0.3 . 1 . . . A 103 TYR CA . 18081 1 1160 . 1 1 103 103 TYR CB C 13 40.189 0.3 . 1 . . . A 103 TYR CB . 18081 1 1161 . 1 1 103 103 TYR N N 15 125.807 0.3 . 1 . . . A 103 TYR N . 18081 1 1162 . 1 1 104 104 ARG H H 1 8.902 0.020 . 1 . . . A 104 ARG H . 18081 1 1163 . 1 1 104 104 ARG HA H 1 4.627 0.020 . 1 . . . A 104 ARG HA . 18081 1 1164 . 1 1 104 104 ARG HB2 H 1 1.762 0.020 . 1 . . . A 104 ARG HB2 . 18081 1 1165 . 1 1 104 104 ARG HB3 H 1 1.762 0.020 . 1 . . . A 104 ARG HB3 . 18081 1 1166 . 1 1 104 104 ARG C C 13 174.570 0.3 . 1 . . . A 104 ARG C . 18081 1 1167 . 1 1 104 104 ARG CA C 13 56.765 0.3 . 1 . . . A 104 ARG CA . 18081 1 1168 . 1 1 104 104 ARG CB C 13 31.698 0.3 . 1 . . . A 104 ARG CB . 18081 1 1169 . 1 1 104 104 ARG CG C 13 27.322 0.3 . 1 . . . A 104 ARG CG . 18081 1 1170 . 1 1 104 104 ARG N N 15 124.463 0.3 . 1 . . . A 104 ARG N . 18081 1 1171 . 1 1 105 105 ILE H H 1 8.289 0.020 . 1 . . . A 105 ILE H . 18081 1 1172 . 1 1 105 105 ILE HA H 1 4.369 0.020 . 1 . . . A 105 ILE HA . 18081 1 1173 . 1 1 105 105 ILE HB H 1 1.632 0.020 . 1 . . . A 105 ILE HB . 18081 1 1174 . 1 1 105 105 ILE C C 13 175.576 0.3 . 1 . . . A 105 ILE C . 18081 1 1175 . 1 1 105 105 ILE CA C 13 59.935 0.3 . 1 . . . A 105 ILE CA . 18081 1 1176 . 1 1 105 105 ILE CB C 13 39.811 0.3 . 1 . . . A 105 ILE CB . 18081 1 1177 . 1 1 105 105 ILE N N 15 124.589 0.3 . 1 . . . A 105 ILE N . 18081 1 1178 . 1 1 106 106 ILE H H 1 8.765 0.020 . 1 . . . A 106 ILE H . 18081 1 1179 . 1 1 106 106 ILE HA H 1 5.038 0.020 . 1 . . . A 106 ILE HA . 18081 1 1180 . 1 1 106 106 ILE HB H 1 1.924 0.020 . 1 . . . A 106 ILE HB . 18081 1 1181 . 1 1 106 106 ILE HG12 H 1 1.010 0.020 . 2 . . . A 106 ILE HG12 . 18081 1 1182 . 1 1 106 106 ILE HG13 H 1 1.384 0.020 . 2 . . . A 106 ILE HG13 . 18081 1 1183 . 1 1 106 106 ILE HG21 H 1 0.959 0.020 . 1 . . . A 106 ILE HG21 . 18081 1 1184 . 1 1 106 106 ILE HG22 H 1 0.959 0.020 . 1 . . . A 106 ILE HG22 . 18081 1 1185 . 1 1 106 106 ILE HG23 H 1 0.959 0.020 . 1 . . . A 106 ILE HG23 . 18081 1 1186 . 1 1 106 106 ILE HD11 H 1 0.856 0.020 . 1 . . . A 106 ILE HD11 . 18081 1 1187 . 1 1 106 106 ILE HD12 H 1 0.856 0.020 . 1 . . . A 106 ILE HD12 . 18081 1 1188 . 1 1 106 106 ILE HD13 H 1 0.856 0.020 . 1 . . . A 106 ILE HD13 . 18081 1 1189 . 1 1 106 106 ILE CA C 13 59.223 0.3 . 1 . . . A 106 ILE CA . 18081 1 1190 . 1 1 106 106 ILE CB C 13 42.475 0.3 . 1 . . . A 106 ILE CB . 18081 1 1191 . 1 1 106 106 ILE CG1 C 13 26.346 0.3 . 1 . . . A 106 ILE CG1 . 18081 1 1192 . 1 1 106 106 ILE CG2 C 13 17.791 0.3 . 1 . . . A 106 ILE CG2 . 18081 1 1193 . 1 1 106 106 ILE CD1 C 13 13.671 0.3 . 1 . . . A 106 ILE CD1 . 18081 1 1194 . 1 1 106 106 ILE N N 15 121.777 0.3 . 1 . . . A 106 ILE N . 18081 1 1195 . 1 1 109 109 GLN HA H 1 4.122 0.020 . 1 . . . A 109 GLN HA . 18081 1 1196 . 1 1 109 109 GLN HB2 H 1 1.743 0.020 . 1 . . . A 109 GLN HB2 . 18081 1 1197 . 1 1 109 109 GLN HB3 H 1 1.743 0.020 . 1 . . . A 109 GLN HB3 . 18081 1 1198 . 1 1 109 109 GLN HG2 H 1 2.148 0.020 . 2 . . . A 109 GLN HG2 . 18081 1 1199 . 1 1 109 109 GLN HG3 H 1 1.976 0.020 . 2 . . . A 109 GLN HG3 . 18081 1 1200 . 1 1 109 109 GLN HE21 H 1 6.847 0.020 . 1 . . . A 109 GLN HE21 . 18081 1 1201 . 1 1 109 109 GLN HE22 H 1 7.402 0.020 . 1 . . . A 109 GLN HE22 . 18081 1 1202 . 1 1 109 109 GLN C C 13 175.724 0.3 . 1 . . . A 109 GLN C . 18081 1 1203 . 1 1 109 109 GLN CA C 13 56.472 0.3 . 1 . . . A 109 GLN CA . 18081 1 1204 . 1 1 109 109 GLN CB C 13 29.128 0.3 . 1 . . . A 109 GLN CB . 18081 1 1205 . 1 1 109 109 GLN CG C 13 33.254 0.3 . 1 . . . A 109 GLN CG . 18081 1 1206 . 1 1 109 109 GLN CD C 13 180.146 0.3 . 1 . . . A 109 GLN CD . 18081 1 1207 . 1 1 109 109 GLN NE2 N 15 112.575 0.3 . 1 . . . A 109 GLN NE2 . 18081 1 1208 . 1 1 110 110 TYR H H 1 8.191 0.020 . 1 . . . A 110 TYR H . 18081 1 1209 . 1 1 110 110 TYR HA H 1 4.489 0.020 . 1 . . . A 110 TYR HA . 18081 1 1210 . 1 1 110 110 TYR HB2 H 1 2.755 0.020 . 2 . . . A 110 TYR HB2 . 18081 1 1211 . 1 1 110 110 TYR HB3 H 1 2.892 0.020 . 2 . . . A 110 TYR HB3 . 18081 1 1212 . 1 1 110 110 TYR HD1 H 1 7.003 0.020 . 3 . . . A 110 TYR HD1 . 18081 1 1213 . 1 1 110 110 TYR HD2 H 1 7.021 0.020 . 3 . . . A 110 TYR HD2 . 18081 1 1214 . 1 1 110 110 TYR HE1 H 1 6.683 0.020 . 3 . . . A 110 TYR HE1 . 18081 1 1215 . 1 1 110 110 TYR HE2 H 1 6.683 0.020 . 3 . . . A 110 TYR HE2 . 18081 1 1216 . 1 1 110 110 TYR CA C 13 57.985 0.3 . 1 . . . A 110 TYR CA . 18081 1 1217 . 1 1 110 110 TYR CB C 13 37.927 0.3 . 1 . . . A 110 TYR CB . 18081 1 1218 . 1 1 110 110 TYR N N 15 120.856 0.3 . 1 . . . A 110 TYR N . 18081 1 1219 . 1 1 111 111 CYS H H 1 8.166 0.020 . 1 . . . A 111 CYS H . 18081 1 1220 . 1 1 111 111 CYS HA H 1 4.383 0.020 . 1 . . . A 111 CYS HA . 18081 1 1221 . 1 1 111 111 CYS HB2 H 1 2.867 0.020 . 1 . . . A 111 CYS HB2 . 18081 1 1222 . 1 1 111 111 CYS HB3 H 1 2.867 0.020 . 1 . . . A 111 CYS HB3 . 18081 1 1223 . 1 1 111 111 CYS C C 13 174.692 0.3 . 1 . . . A 111 CYS C . 18081 1 1224 . 1 1 111 111 CYS CA C 13 58.617 0.3 . 1 . . . A 111 CYS CA . 18081 1 1225 . 1 1 111 111 CYS CB C 13 27.976 0.3 . 1 . . . A 111 CYS CB . 18081 1 1226 . 1 1 111 111 CYS N N 15 120.561 0.3 . 1 . . . A 111 CYS N . 18081 1 1227 . 1 1 112 112 GLY H H 1 8.052 0.020 . 1 . . . A 112 GLY H . 18081 1 1228 . 1 1 112 112 GLY C C 13 173.900 0.3 . 1 . . . A 112 GLY C . 18081 1 1229 . 1 1 112 112 GLY CA C 13 45.145 0.3 . 1 . . . A 112 GLY CA . 18081 1 1230 . 1 1 112 112 GLY N N 15 111.143 0.3 . 1 . . . A 112 GLY N . 18081 1 1231 . 1 1 113 113 LEU H H 1 8.179 0.020 . 1 . . . A 113 LEU H . 18081 1 1232 . 1 1 113 113 LEU HA H 1 4.324 0.020 . 1 . . . A 113 LEU HA . 18081 1 1233 . 1 1 113 113 LEU HB2 H 1 1.565 0.020 . 1 . . . A 113 LEU HB2 . 18081 1 1234 . 1 1 113 113 LEU HB3 H 1 1.565 0.020 . 1 . . . A 113 LEU HB3 . 18081 1 1235 . 1 1 113 113 LEU HG H 1 1.615 0.020 . 1 . . . A 113 LEU HG . 18081 1 1236 . 1 1 113 113 LEU HD11 H 1 0.947 0.020 . 1 . . . A 113 LEU HD11 . 18081 1 1237 . 1 1 113 113 LEU HD12 H 1 0.947 0.020 . 1 . . . A 113 LEU HD12 . 18081 1 1238 . 1 1 113 113 LEU HD13 H 1 0.947 0.020 . 1 . . . A 113 LEU HD13 . 18081 1 1239 . 1 1 113 113 LEU HD21 H 1 0.844 0.020 . 1 . . . A 113 LEU HD21 . 18081 1 1240 . 1 1 113 113 LEU HD22 H 1 0.844 0.020 . 1 . . . A 113 LEU HD22 . 18081 1 1241 . 1 1 113 113 LEU HD23 H 1 0.844 0.020 . 1 . . . A 113 LEU HD23 . 18081 1 1242 . 1 1 113 113 LEU C C 13 178.068 0.3 . 1 . . . A 113 LEU C . 18081 1 1243 . 1 1 113 113 LEU CA C 13 55.718 0.3 . 1 . . . A 113 LEU CA . 18081 1 1244 . 1 1 113 113 LEU CB C 13 42.079 0.3 . 1 . . . A 113 LEU CB . 18081 1 1245 . 1 1 113 113 LEU CG C 13 26.698 0.3 . 1 . . . A 113 LEU CG . 18081 1 1246 . 1 1 113 113 LEU CD1 C 13 24.461 0.3 . 1 . . . A 113 LEU CD1 . 18081 1 1247 . 1 1 113 113 LEU CD2 C 13 23.482 0.3 . 1 . . . A 113 LEU CD2 . 18081 1 1248 . 1 1 113 113 LEU N N 15 122.150 0.3 . 1 . . . A 113 LEU N . 18081 1 1249 . 1 1 114 114 GLY H H 1 8.481 0.020 . 1 . . . A 114 GLY H . 18081 1 1250 . 1 1 114 114 GLY HA2 H 1 3.885 0.020 . 1 . . . A 114 GLY HA2 . 18081 1 1251 . 1 1 114 114 GLY HA3 H 1 3.885 0.020 . 1 . . . A 114 GLY HA3 . 18081 1 1252 . 1 1 114 114 GLY C C 13 174.142 0.3 . 1 . . . A 114 GLY C . 18081 1 1253 . 1 1 114 114 GLY CA C 13 45.349 0.3 . 1 . . . A 114 GLY CA . 18081 1 1254 . 1 1 114 114 GLY N N 15 109.957 0.3 . 1 . . . A 114 GLY N . 18081 1 1255 . 1 1 117 117 ASN H H 1 8.522 0.020 . 1 . . . A 117 ASN H . 18081 1 1256 . 1 1 117 117 ASN HA H 1 4.678 0.020 . 1 . . . A 117 ASN HA . 18081 1 1257 . 1 1 117 117 ASN HB2 H 1 2.727 0.020 . 1 . . . A 117 ASN HB2 . 18081 1 1258 . 1 1 117 117 ASN HB3 H 1 2.727 0.020 . 1 . . . A 117 ASN HB3 . 18081 1 1259 . 1 1 117 117 ASN HD21 H 1 6.892 0.020 . 1 . . . A 117 ASN HD21 . 18081 1 1260 . 1 1 117 117 ASN HD22 H 1 7.554 0.020 . 1 . . . A 117 ASN HD22 . 18081 1 1261 . 1 1 117 117 ASN C C 13 174.422 0.3 . 1 . . . A 117 ASN C . 18081 1 1262 . 1 1 117 117 ASN CA C 13 53.179 0.3 . 1 . . . A 117 ASN CA . 18081 1 1263 . 1 1 117 117 ASN CB C 13 39.015 0.3 . 1 . . . A 117 ASN CB . 18081 1 1264 . 1 1 117 117 ASN CG C 13 176.951 0.3 . 1 . . . A 117 ASN CG . 18081 1 1265 . 1 1 117 117 ASN N N 15 120.387 0.3 . 1 . . . A 117 ASN N . 18081 1 1266 . 1 1 117 117 ASN ND2 N 15 112.957 0.3 . 1 . . . A 117 ASN ND2 . 18081 1 1267 . 1 1 118 118 MET H H 1 7.486 0.020 . 1 . . . A 118 MET H . 18081 1 1268 . 1 1 118 118 MET C C 13 173.321 0.3 . 1 . . . A 118 MET C . 18081 1 1269 . 1 1 118 118 MET CA C 13 55.360 0.3 . 1 . . . A 118 MET CA . 18081 1 1270 . 1 1 118 118 MET CB C 13 34.467 0.3 . 1 . . . A 118 MET CB . 18081 1 1271 . 1 1 118 118 MET N N 15 120.415 0.3 . 1 . . . A 118 MET N . 18081 1 1272 . 1 1 119 119 PHE H H 1 8.329 0.020 . 1 . . . A 119 PHE H . 18081 1 1273 . 1 1 119 119 PHE HA H 1 5.822 0.020 . 1 . . . A 119 PHE HA . 18081 1 1274 . 1 1 119 119 PHE HB2 H 1 3.280 0.020 . 2 . . . A 119 PHE HB2 . 18081 1 1275 . 1 1 119 119 PHE HB3 H 1 3.035 0.020 . 2 . . . A 119 PHE HB3 . 18081 1 1276 . 1 1 119 119 PHE HD1 H 1 7.216 0.020 . 1 . . . A 119 PHE HD1 . 18081 1 1277 . 1 1 119 119 PHE HD2 H 1 7.216 0.020 . 1 . . . A 119 PHE HD2 . 18081 1 1278 . 1 1 119 119 PHE HE1 H 1 7.302 0.020 . 1 . . . A 119 PHE HE1 . 18081 1 1279 . 1 1 119 119 PHE HE2 H 1 7.302 0.020 . 1 . . . A 119 PHE HE2 . 18081 1 1280 . 1 1 119 119 PHE C C 13 174.894 0.3 . 1 . . . A 119 PHE C . 18081 1 1281 . 1 1 119 119 PHE CA C 13 56.116 0.3 . 1 . . . A 119 PHE CA . 18081 1 1282 . 1 1 119 119 PHE CB C 13 42.377 0.3 . 1 . . . A 119 PHE CB . 18081 1 1283 . 1 1 119 119 PHE N N 15 121.931 0.3 . 1 . . . A 119 PHE N . 18081 1 1284 . 1 1 120 120 GLY H H 1 9.090 0.020 . 1 . . . A 120 GLY H . 18081 1 1285 . 1 1 120 120 GLY HA2 H 1 4.690 0.020 . 2 . . . A 120 GLY HA2 . 18081 1 1286 . 1 1 120 120 GLY HA3 H 1 3.623 0.020 . 2 . . . A 120 GLY HA3 . 18081 1 1287 . 1 1 120 120 GLY C C 13 172.817 0.3 . 1 . . . A 120 GLY C . 18081 1 1288 . 1 1 120 120 GLY CA C 13 44.281 0.3 . 1 . . . A 120 GLY CA . 18081 1 1289 . 1 1 120 120 GLY N N 15 110.646 0.3 . 1 . . . A 120 GLY N . 18081 1 1290 . 1 1 121 121 THR H H 1 8.039 0.020 . 1 . . . A 121 THR H . 18081 1 1291 . 1 1 121 121 THR HA H 1 5.068 0.020 . 1 . . . A 121 THR HA . 18081 1 1292 . 1 1 121 121 THR HB H 1 3.823 0.020 . 1 . . . A 121 THR HB . 18081 1 1293 . 1 1 121 121 THR HG21 H 1 1.143 0.020 . 1 . . . A 121 THR HG21 . 18081 1 1294 . 1 1 121 121 THR HG22 H 1 1.143 0.020 . 1 . . . A 121 THR HG22 . 18081 1 1295 . 1 1 121 121 THR HG23 H 1 1.143 0.020 . 1 . . . A 121 THR HG23 . 18081 1 1296 . 1 1 121 121 THR C C 13 173.062 0.3 . 1 . . . A 121 THR C . 18081 1 1297 . 1 1 121 121 THR CA C 13 62.745 0.3 . 1 . . . A 121 THR CA . 18081 1 1298 . 1 1 121 121 THR CB C 13 72.533 0.3 . 1 . . . A 121 THR CB . 18081 1 1299 . 1 1 121 121 THR CG2 C 13 21.958 0.3 . 1 . . . A 121 THR CG2 . 18081 1 1300 . 1 1 121 121 THR N N 15 115.969 0.3 . 1 . . . A 121 THR N . 18081 1 1301 . 1 1 122 122 ILE H H 1 9.152 0.020 . 1 . . . A 122 ILE H . 18081 1 1302 . 1 1 122 122 ILE HA H 1 4.835 0.020 . 1 . . . A 122 ILE HA . 18081 1 1303 . 1 1 122 122 ILE HB H 1 1.569 0.020 . 1 . . . A 122 ILE HB . 18081 1 1304 . 1 1 122 122 ILE HG12 H 1 0.824 0.020 . 1 . . . A 122 ILE HG12 . 18081 1 1305 . 1 1 122 122 ILE HG13 H 1 0.824 0.020 . 1 . . . A 122 ILE HG13 . 18081 1 1306 . 1 1 122 122 ILE HG21 H 1 0.373 0.020 . 1 . . . A 122 ILE HG21 . 18081 1 1307 . 1 1 122 122 ILE HG22 H 1 0.373 0.020 . 1 . . . A 122 ILE HG22 . 18081 1 1308 . 1 1 122 122 ILE HG23 H 1 0.373 0.020 . 1 . . . A 122 ILE HG23 . 18081 1 1309 . 1 1 122 122 ILE HD11 H 1 0.660 0.020 . 1 . . . A 122 ILE HD11 . 18081 1 1310 . 1 1 122 122 ILE HD12 H 1 0.660 0.020 . 1 . . . A 122 ILE HD12 . 18081 1 1311 . 1 1 122 122 ILE HD13 H 1 0.660 0.020 . 1 . . . A 122 ILE HD13 . 18081 1 1312 . 1 1 122 122 ILE C C 13 174.260 0.3 . 1 . . . A 122 ILE C . 18081 1 1313 . 1 1 122 122 ILE CA C 13 60.076 0.3 . 1 . . . A 122 ILE CA . 18081 1 1314 . 1 1 122 122 ILE CB C 13 40.399 0.3 . 1 . . . A 122 ILE CB . 18081 1 1315 . 1 1 122 122 ILE CG1 C 13 28.220 0.3 . 1 . . . A 122 ILE CG1 . 18081 1 1316 . 1 1 122 122 ILE CG2 C 13 16.677 0.3 . 1 . . . A 122 ILE CG2 . 18081 1 1317 . 1 1 122 122 ILE CD1 C 13 15.206 0.3 . 1 . . . A 122 ILE CD1 . 18081 1 1318 . 1 1 122 122 ILE N N 15 127.420 0.3 . 1 . . . A 122 ILE N . 18081 1 1319 . 1 1 123 123 VAL H H 1 9.601 0.020 . 1 . . . A 123 VAL H . 18081 1 1320 . 1 1 123 123 VAL HA H 1 4.379 0.020 . 1 . . . A 123 VAL HA . 18081 1 1321 . 1 1 123 123 VAL HB H 1 1.903 0.020 . 1 . . . A 123 VAL HB . 18081 1 1322 . 1 1 123 123 VAL HG11 H 1 0.813 0.020 . 1 . . . A 123 VAL HG11 . 18081 1 1323 . 1 1 123 123 VAL HG12 H 1 0.813 0.020 . 1 . . . A 123 VAL HG12 . 18081 1 1324 . 1 1 123 123 VAL HG13 H 1 0.813 0.020 . 1 . . . A 123 VAL HG13 . 18081 1 1325 . 1 1 123 123 VAL HG21 H 1 0.813 0.020 . 1 . . . A 123 VAL HG21 . 18081 1 1326 . 1 1 123 123 VAL HG22 H 1 0.813 0.020 . 1 . . . A 123 VAL HG22 . 18081 1 1327 . 1 1 123 123 VAL HG23 H 1 0.813 0.020 . 1 . . . A 123 VAL HG23 . 18081 1 1328 . 1 1 123 123 VAL C C 13 174.012 0.3 . 1 . . . A 123 VAL C . 18081 1 1329 . 1 1 123 123 VAL CA C 13 61.811 0.3 . 1 . . . A 123 VAL CA . 18081 1 1330 . 1 1 123 123 VAL CB C 13 33.280 0.3 . 1 . . . A 123 VAL CB . 18081 1 1331 . 1 1 123 123 VAL CG1 C 13 20.902 0.3 . 1 . . . A 123 VAL CG1 . 18081 1 1332 . 1 1 123 123 VAL CG2 C 13 20.902 0.3 . 1 . . . A 123 VAL CG2 . 18081 1 1333 . 1 1 123 123 VAL N N 15 130.032 0.3 . 1 . . . A 123 VAL N . 18081 1 1334 . 1 1 124 124 VAL H H 1 9.056 0.020 . 1 . . . A 124 VAL H . 18081 1 1335 . 1 1 124 124 VAL HA H 1 4.699 0.020 . 1 . . . A 124 VAL HA . 18081 1 1336 . 1 1 124 124 VAL HB H 1 2.202 0.020 . 1 . . . A 124 VAL HB . 18081 1 1337 . 1 1 124 124 VAL HG11 H 1 0.135 0.020 . 1 . . . A 124 VAL HG11 . 18081 1 1338 . 1 1 124 124 VAL HG12 H 1 0.135 0.020 . 1 . . . A 124 VAL HG12 . 18081 1 1339 . 1 1 124 124 VAL HG13 H 1 0.135 0.020 . 1 . . . A 124 VAL HG13 . 18081 1 1340 . 1 1 124 124 VAL HG21 H 1 0.629 0.020 . 1 . . . A 124 VAL HG21 . 18081 1 1341 . 1 1 124 124 VAL HG22 H 1 0.629 0.020 . 1 . . . A 124 VAL HG22 . 18081 1 1342 . 1 1 124 124 VAL HG23 H 1 0.629 0.020 . 1 . . . A 124 VAL HG23 . 18081 1 1343 . 1 1 124 124 VAL C C 13 177.239 0.3 . 1 . . . A 124 VAL C . 18081 1 1344 . 1 1 124 124 VAL CA C 13 60.565 0.3 . 1 . . . A 124 VAL CA . 18081 1 1345 . 1 1 124 124 VAL CB C 13 31.303 0.3 . 1 . . . A 124 VAL CB . 18081 1 1346 . 1 1 124 124 VAL CG1 C 13 21.715 0.3 . 1 . . . A 124 VAL CG1 . 18081 1 1347 . 1 1 124 124 VAL CG2 C 13 20.174 0.3 . 1 . . . A 124 VAL CG2 . 18081 1 1348 . 1 1 124 124 VAL N N 15 128.765 0.3 . 1 . . . A 124 VAL N . 18081 1 1349 . 1 1 125 125 LYS H H 1 8.854 0.020 . 1 . . . A 125 LYS H . 18081 1 1350 . 1 1 125 125 LYS HA H 1 4.341 0.020 . 1 . . . A 125 LYS HA . 18081 1 1351 . 1 1 125 125 LYS HB2 H 1 1.853 0.020 . 2 . . . A 125 LYS HB2 . 18081 1 1352 . 1 1 125 125 LYS HB3 H 1 1.617 0.020 . 2 . . . A 125 LYS HB3 . 18081 1 1353 . 1 1 125 125 LYS HG2 H 1 1.401 0.020 . 2 . . . A 125 LYS HG2 . 18081 1 1354 . 1 1 125 125 LYS HG3 H 1 1.360 0.020 . 2 . . . A 125 LYS HG3 . 18081 1 1355 . 1 1 125 125 LYS HD2 H 1 1.676 0.020 . 2 . . . A 125 LYS HD2 . 18081 1 1356 . 1 1 125 125 LYS HD3 H 1 1.558 0.020 . 2 . . . A 125 LYS HD3 . 18081 1 1357 . 1 1 125 125 LYS HE2 H 1 2.996 0.020 . 1 . . . A 125 LYS HE2 . 18081 1 1358 . 1 1 125 125 LYS HE3 H 1 2.996 0.020 . 1 . . . A 125 LYS HE3 . 18081 1 1359 . 1 1 125 125 LYS C C 13 175.317 0.3 . 1 . . . A 125 LYS C . 18081 1 1360 . 1 1 125 125 LYS CA C 13 55.449 0.3 . 1 . . . A 125 LYS CA . 18081 1 1361 . 1 1 125 125 LYS CB C 13 33.577 0.3 . 1 . . . A 125 LYS CB . 18081 1 1362 . 1 1 125 125 LYS CG C 13 24.426 0.3 . 1 . . . A 125 LYS CG . 18081 1 1363 . 1 1 125 125 LYS CD C 13 28.884 0.3 . 1 . . . A 125 LYS CD . 18081 1 1364 . 1 1 125 125 LYS CE C 13 42.190 0.3 . 1 . . . A 125 LYS CE . 18081 1 1365 . 1 1 125 125 LYS N N 15 129.953 0.3 . 1 . . . A 125 LYS N . 18081 1 1366 . 1 1 126 126 GLU H H 1 8.366 0.020 . 1 . . . A 126 GLU H . 18081 1 1367 . 1 1 126 126 GLU HA H 1 4.001 0.020 . 1 . . . A 126 GLU HA . 18081 1 1368 . 1 1 126 126 GLU HB2 H 1 1.929 0.020 . 1 . . . A 126 GLU HB2 . 18081 1 1369 . 1 1 126 126 GLU HB3 H 1 1.929 0.020 . 1 . . . A 126 GLU HB3 . 18081 1 1370 . 1 1 126 126 GLU HG2 H 1 2.239 0.020 . 1 . . . A 126 GLU HG2 . 18081 1 1371 . 1 1 126 126 GLU HG3 H 1 2.239 0.020 . 1 . . . A 126 GLU HG3 . 18081 1 1372 . 1 1 126 126 GLU C C 13 181.271 0.3 . 1 . . . A 126 GLU C . 18081 1 1373 . 1 1 126 126 GLU CA C 13 58.741 0.3 . 1 . . . A 126 GLU CA . 18081 1 1374 . 1 1 126 126 GLU CB C 13 30.215 0.3 . 1 . . . A 126 GLU CB . 18081 1 1375 . 1 1 126 126 GLU CG C 13 36.823 0.3 . 1 . . . A 126 GLU CG . 18081 1 1376 . 1 1 126 126 GLU N N 15 127.431 0.3 . 1 . . . A 126 GLU N . 18081 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18081 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 18081 2 2 '3D HNCO' . . . 18081 2 3 '3D HNCA' . . . 18081 2 4 '3D HNCACB' . . . 18081 2 5 '3D HN(CO)CA' . . . 18081 2 6 '3D HN(CA)CO' . . . 18081 2 7 '3D CBCA(CO)NH' . . . 18081 2 8 '3D HCCH-TOCSY' . . . 18081 2 9 '3D HBHA(CO)NH' . . . 18081 2 10 '3D HNHA' . . . 18081 2 11 '2D 1H-1H TOCSY' . . . 18081 2 12 '2D 1H-13C HSQC aliphatic' . . . 18081 2 13 '2D 1H-13C HSQC aromatic' . . . 18081 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL H H 1 8.035 0.020 . 1 . . . A 2 VAL H . 18081 2 2 . 1 1 2 2 VAL N N 15 126.137 0.3 . 1 . . . A 2 VAL N . 18081 2 3 . 1 1 3 3 ILE H H 1 7.856 0.020 . 1 . . . A 3 ILE H . 18081 2 4 . 1 1 3 3 ILE N N 15 124.059 0.3 . 1 . . . A 3 ILE N . 18081 2 5 . 1 1 5 5 ALA H H 1 8.458 0.020 . 1 . . . A 5 ALA H . 18081 2 6 . 1 1 5 5 ALA N N 15 125.371 0.3 . 1 . . . A 5 ALA N . 18081 2 7 . 1 1 7 7 LYS H H 1 7.976 0.020 . 1 . . . A 7 LYS H . 18081 2 8 . 1 1 7 7 LYS N N 15 121.320 0.3 . 1 . . . A 7 LYS N . 18081 2 9 . 1 1 8 8 LEU H H 1 8.283 0.020 . 1 . . . A 8 LEU H . 18081 2 10 . 1 1 8 8 LEU N N 15 124.548 0.3 . 1 . . . A 8 LEU N . 18081 2 11 . 1 1 16 16 VAL H H 1 7.143 0.020 . 1 . . . A 16 VAL H . 18081 2 12 . 1 1 16 16 VAL N N 15 122.387 0.3 . 1 . . . A 16 VAL N . 18081 2 13 . 1 1 43 43 ALA H H 1 8.679 0.020 . 1 . . . A 43 ALA H . 18081 2 14 . 1 1 43 43 ALA N N 15 130.434 0.3 . 1 . . . A 43 ALA N . 18081 2 15 . 1 1 45 45 ALA H H 1 9.739 0.020 . 1 . . . A 45 ALA H . 18081 2 16 . 1 1 45 45 ALA N N 15 122.901 0.3 . 1 . . . A 45 ALA N . 18081 2 17 . 1 1 48 48 TYR H H 1 8.370 0.020 . 1 . . . A 48 TYR H . 18081 2 18 . 1 1 48 48 TYR N N 15 119.637 0.3 . 1 . . . A 48 TYR N . 18081 2 19 . 1 1 70 70 VAL H H 1 10.855 0.020 . 1 . . . A 70 VAL H . 18081 2 20 . 1 1 70 70 VAL N N 15 120.074 0.3 . 1 . . . A 70 VAL N . 18081 2 21 . 1 1 71 71 ILE H H 1 7.670 0.020 . 1 . . . A 71 ILE H . 18081 2 22 . 1 1 71 71 ILE N N 15 121.272 0.3 . 1 . . . A 71 ILE N . 18081 2 23 . 1 1 75 75 HIS H H 1 7.786 0.020 . 1 . . . A 75 HIS H . 18081 2 24 . 1 1 75 75 HIS N N 15 124.835 0.3 . 1 . . . A 75 HIS N . 18081 2 25 . 1 1 78 78 GLY H H 1 8.052 0.020 . 1 . . . A 78 GLY H . 18081 2 26 . 1 1 78 78 GLY N N 15 111.143 0.3 . 1 . . . A 78 GLY N . 18081 2 27 . 1 1 82 82 ASN H H 1 8.911 0.020 . 1 . . . A 82 ASN H . 18081 2 28 . 1 1 82 82 ASN N N 15 131.507 0.3 . 1 . . . A 82 ASN N . 18081 2 29 . 1 1 112 112 GLY H H 1 8.239 0.020 . 1 . . . A 112 GLY H . 18081 2 30 . 1 1 112 112 GLY N N 15 111.467 0.3 . 1 . . . A 112 GLY N . 18081 2 31 . 1 1 114 114 GLY H H 1 8.393 0.020 . 1 . . . A 114 GLY H . 18081 2 32 . 1 1 114 114 GLY N N 15 109.278 0.3 . 1 . . . A 114 GLY N . 18081 2 33 . 1 1 118 118 MET H H 1 7.981 0.020 . 1 . . . A 118 MET H . 18081 2 34 . 1 1 118 118 MET N N 15 120.526 0.3 . 1 . . . A 118 MET N . 18081 2 35 . 1 1 119 119 PHE H H 1 8.068 0.020 . 1 . . . A 119 PHE H . 18081 2 36 . 1 1 119 119 PHE N N 15 119.704 0.3 . 1 . . . A 119 PHE N . 18081 2 37 . 1 1 120 120 GLY H H 1 8.984 0.020 . 1 . . . A 120 GLY H . 18081 2 38 . 1 1 120 120 GLY N N 15 109.869 0.3 . 1 . . . A 120 GLY N . 18081 2 39 . 1 1 121 121 THR H H 1 8.123 0.020 . 1 . . . A 121 THR H . 18081 2 40 . 1 1 121 121 THR N N 15 115.820 0.3 . 1 . . . A 121 THR N . 18081 2 stop_ save_