data_6722 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6722 _Entry.Title ; Backbone NMR Assignment of low-molecular-weight Protein Tryosin Phosphatase (MPtpA) from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-01 _Entry.Accession_date 2005-07-01 _Entry.Last_release_date 2005-11-07 _Entry.Original_release_date 2005-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Krishna Saxena . . . 6722 2 Bettina Elshorst . . . 6722 3 Holger Berk . . . 6722 4 Marco Betz . . . 6722 5 Susanne Grimme . . . 6722 6 Thomas Langer . . . 6722 7 Barbara Pescatore . . . 6722 8 Ulrich Schieborr . . . 6722 9 Martin Vogtherr . . . 6722 10 Harald Schwalbe . . . 6722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 6722 '15N chemical shifts' 147 6722 '1H chemical shifts' 147 6722 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 . . 2005-11-07 2005-07-01 original author . 6722 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6722 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16258834 _Citation.Full_citation . _Citation.Title ; Backbone NMR Assignment of the Low-molecular-weight Protein Tyrosine Phosphatase (MPtpA) from Mycobacterium Tuberculosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 2 _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 136 _Citation.Page_last 136 _Citation.Year 2005 _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 Krishna Saxena . . . 6722 1 2 Bettina Elshorst . . . 6722 1 3 Holger Berk . . . 6722 1 4 Marco Betz . . . 6722 1 5 Susanne Grimme . . . 6722 1 6 Thomas Langer . . . 6722 1 7 Barbara Pescatore . . . 6722 1 8 Ulrich Schieborr . . . 6722 1 9 Martin Vogtherr . . . 6722 1 10 Harald Schwalbe . . . 6722 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone NMR Assignment' 6722 1 'Protein Tyrosin Phosphatase' 6722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6722 _Assembly.ID 1 _Assembly.Name 'Low-Molecular-Weight Protein Tyrosine Phosphatase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6722 1 stop_ 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 'Low-Molecular-Weight Protein Tyrosin Phosphatase' 1 $MPtpA . . yes native no no . . . 6722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPtpA _Entity.Sf_category entity _Entity.Sf_framecode MPtpA _Entity.Entry_ID 6722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Low-Molecular-Weight Protein Tyrosine Phosphatase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSDPLHVTFVCTGNICRS PMAEKMFAQQLRHRGLGDAV RVTSAGTGNWHVGSCADERA AGVLRAHGYPTDHRAAQVGT EHLAADLLVALDRNHARLLR QLGVEAARVRMLRSFDPRSG THALDVEDPYYGDHSDFEEV FAVIESALPGLHDWVDERLA RNGPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two amino acids are due to cloning' _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18533 . mptpa . . . . . 98.79 164 100.00 100.00 3.35e-114 . . . . 6722 1 2 no BMRB 19361 . MptpA . . . . . 98.79 164 99.39 99.39 2.20e-113 . . . . 6722 1 3 no BMRB 19388 . MptpA . . . . . 98.79 164 99.39 99.39 2.20e-113 . . . . 6722 1 4 no PDB 1U2P . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Protein Tyrosine Phosphatase (Mptpa) At 1.9a Resolution" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 5 no PDB 1U2Q . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (Mptpa) At 2.5a Resolution Wi" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 6 no PDB 2LUO . "Nmr Solution Structure Of Apo-Mptpa" . . . . . 98.79 164 100.00 100.00 3.35e-114 . . . . 6722 1 7 no DBJ BAH26529 . "phosphotyrosine protein phosphatase [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 8 no DBJ BAL66249 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 9 no DBJ BAQ06307 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Kurono]" . . . . . 87.27 144 100.00 100.00 6.39e-98 . . . . 6722 1 10 no DBJ GAA45923 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis NCGM2209]" . . . . . 87.27 144 100.00 100.00 6.39e-98 . . . . 6722 1 11 no EMBL CAD97111 . "PHOSPHOTYROSINE PROTEIN PHOSPHATASE PTPA (PROTEIN-TYROSINE-PHOSPHATASE) (PTPase) (LMW PHOSPHATASE) [Mycobacterium bovis AF2122/" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 12 no EMBL CAL72239 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 13 no EMBL CCC27315 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) [Mycobacterium africanum GM041182]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 14 no EMBL CCC44588 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) [Mycobacterium canettii CIPT" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 15 no EMBL CCC64828 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 16 no GB AAK46577 . "protein tyrosine phosphatase [Mycobacterium tuberculosis CDC1551]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 17 no GB ABQ74015 . "protein tyrosine phosphatase [Mycobacterium tuberculosis H37Ra]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 18 no GB ABR06594 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis F11]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 19 no GB ACT24805 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 1435]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 20 no GB AEB03885 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 4207]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 21 no REF NP_216750 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis H37Rv]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 22 no REF NP_336763 . "protein tyrosine phosphatase [Mycobacterium tuberculosis CDC1551]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 23 no REF NP_855907 . "phosphotyrosine protein phosphatase PtpA [Mycobacterium bovis AF2122/97]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 24 no REF WP_003411510 . "MULTISPECIES: protein-tyrosine-phosphatase [Mycobacterium tuberculosis complex]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 25 no REF WP_003899227 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis]" . . . . . 98.79 163 99.39 99.39 1.73e-113 . . . . 6722 1 26 no SP P65717 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase [Mycobacterium bovis AF2122/97]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 27 no SP P9WIA0 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase [Mycobacterium tuberculosis CDC1551]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 1 28 no SP P9WIA1 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase [Mycobacterium tuberculosis H37Rv]" . . . . . 98.79 163 100.00 100.00 2.78e-114 . . . . 6722 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 -2 GLY . 6722 1 2 -1 HIS . 6722 1 3 1 MET . 6722 1 4 2 SER . 6722 1 5 3 ASP . 6722 1 6 4 PRO . 6722 1 7 5 LEU . 6722 1 8 6 HIS . 6722 1 9 7 VAL . 6722 1 10 8 THR . 6722 1 11 9 PHE . 6722 1 12 10 VAL . 6722 1 13 11 CYS . 6722 1 14 12 THR . 6722 1 15 13 GLY . 6722 1 16 14 ASN . 6722 1 17 15 ILE . 6722 1 18 16 CYS . 6722 1 19 17 ARG . 6722 1 20 18 SER . 6722 1 21 19 PRO . 6722 1 22 20 MET . 6722 1 23 21 ALA . 6722 1 24 22 GLU . 6722 1 25 23 LYS . 6722 1 26 24 MET . 6722 1 27 25 PHE . 6722 1 28 26 ALA . 6722 1 29 27 GLN . 6722 1 30 28 GLN . 6722 1 31 29 LEU . 6722 1 32 30 ARG . 6722 1 33 31 HIS . 6722 1 34 32 ARG . 6722 1 35 33 GLY . 6722 1 36 34 LEU . 6722 1 37 35 GLY . 6722 1 38 36 ASP . 6722 1 39 37 ALA . 6722 1 40 38 VAL . 6722 1 41 39 ARG . 6722 1 42 40 VAL . 6722 1 43 41 THR . 6722 1 44 42 SER . 6722 1 45 43 ALA . 6722 1 46 44 GLY . 6722 1 47 45 THR . 6722 1 48 46 GLY . 6722 1 49 47 ASN . 6722 1 50 48 TRP . 6722 1 51 49 HIS . 6722 1 52 50 VAL . 6722 1 53 51 GLY . 6722 1 54 52 SER . 6722 1 55 53 CYS . 6722 1 56 54 ALA . 6722 1 57 55 ASP . 6722 1 58 56 GLU . 6722 1 59 57 ARG . 6722 1 60 58 ALA . 6722 1 61 59 ALA . 6722 1 62 60 GLY . 6722 1 63 61 VAL . 6722 1 64 62 LEU . 6722 1 65 63 ARG . 6722 1 66 64 ALA . 6722 1 67 65 HIS . 6722 1 68 66 GLY . 6722 1 69 67 TYR . 6722 1 70 68 PRO . 6722 1 71 69 THR . 6722 1 72 70 ASP . 6722 1 73 71 HIS . 6722 1 74 72 ARG . 6722 1 75 73 ALA . 6722 1 76 74 ALA . 6722 1 77 75 GLN . 6722 1 78 76 VAL . 6722 1 79 77 GLY . 6722 1 80 78 THR . 6722 1 81 79 GLU . 6722 1 82 80 HIS . 6722 1 83 81 LEU . 6722 1 84 82 ALA . 6722 1 85 83 ALA . 6722 1 86 84 ASP . 6722 1 87 85 LEU . 6722 1 88 86 LEU . 6722 1 89 87 VAL . 6722 1 90 88 ALA . 6722 1 91 89 LEU . 6722 1 92 90 ASP . 6722 1 93 91 ARG . 6722 1 94 92 ASN . 6722 1 95 93 HIS . 6722 1 96 94 ALA . 6722 1 97 95 ARG . 6722 1 98 96 LEU . 6722 1 99 97 LEU . 6722 1 100 98 ARG . 6722 1 101 99 GLN . 6722 1 102 100 LEU . 6722 1 103 101 GLY . 6722 1 104 102 VAL . 6722 1 105 103 GLU . 6722 1 106 104 ALA . 6722 1 107 105 ALA . 6722 1 108 106 ARG . 6722 1 109 107 VAL . 6722 1 110 108 ARG . 6722 1 111 109 MET . 6722 1 112 110 LEU . 6722 1 113 111 ARG . 6722 1 114 112 SER . 6722 1 115 113 PHE . 6722 1 116 114 ASP . 6722 1 117 115 PRO . 6722 1 118 116 ARG . 6722 1 119 117 SER . 6722 1 120 118 GLY . 6722 1 121 119 THR . 6722 1 122 120 HIS . 6722 1 123 121 ALA . 6722 1 124 122 LEU . 6722 1 125 123 ASP . 6722 1 126 124 VAL . 6722 1 127 125 GLU . 6722 1 128 126 ASP . 6722 1 129 127 PRO . 6722 1 130 128 TYR . 6722 1 131 129 TYR . 6722 1 132 130 GLY . 6722 1 133 131 ASP . 6722 1 134 132 HIS . 6722 1 135 133 SER . 6722 1 136 134 ASP . 6722 1 137 135 PHE . 6722 1 138 136 GLU . 6722 1 139 137 GLU . 6722 1 140 138 VAL . 6722 1 141 139 PHE . 6722 1 142 140 ALA . 6722 1 143 141 VAL . 6722 1 144 142 ILE . 6722 1 145 143 GLU . 6722 1 146 144 SER . 6722 1 147 145 ALA . 6722 1 148 146 LEU . 6722 1 149 147 PRO . 6722 1 150 148 GLY . 6722 1 151 149 LEU . 6722 1 152 150 HIS . 6722 1 153 151 ASP . 6722 1 154 152 TRP . 6722 1 155 153 VAL . 6722 1 156 154 ASP . 6722 1 157 155 GLU . 6722 1 158 156 ARG . 6722 1 159 157 LEU . 6722 1 160 158 ALA . 6722 1 161 159 ARG . 6722 1 162 160 ASN . 6722 1 163 161 GLY . 6722 1 164 162 PRO . 6722 1 165 163 SER . 6722 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 . GLY 1 1 6722 1 . HIS 2 2 6722 1 . MET 3 3 6722 1 . SER 4 4 6722 1 . ASP 5 5 6722 1 . PRO 6 6 6722 1 . LEU 7 7 6722 1 . HIS 8 8 6722 1 . VAL 9 9 6722 1 . THR 10 10 6722 1 . PHE 11 11 6722 1 . VAL 12 12 6722 1 . CYS 13 13 6722 1 . THR 14 14 6722 1 . GLY 15 15 6722 1 . ASN 16 16 6722 1 . ILE 17 17 6722 1 . CYS 18 18 6722 1 . ARG 19 19 6722 1 . SER 20 20 6722 1 . PRO 21 21 6722 1 . MET 22 22 6722 1 . ALA 23 23 6722 1 . GLU 24 24 6722 1 . LYS 25 25 6722 1 . MET 26 26 6722 1 . PHE 27 27 6722 1 . ALA 28 28 6722 1 . GLN 29 29 6722 1 . GLN 30 30 6722 1 . LEU 31 31 6722 1 . ARG 32 32 6722 1 . HIS 33 33 6722 1 . ARG 34 34 6722 1 . GLY 35 35 6722 1 . LEU 36 36 6722 1 . GLY 37 37 6722 1 . ASP 38 38 6722 1 . ALA 39 39 6722 1 . VAL 40 40 6722 1 . ARG 41 41 6722 1 . VAL 42 42 6722 1 . THR 43 43 6722 1 . SER 44 44 6722 1 . ALA 45 45 6722 1 . GLY 46 46 6722 1 . THR 47 47 6722 1 . GLY 48 48 6722 1 . ASN 49 49 6722 1 . TRP 50 50 6722 1 . HIS 51 51 6722 1 . VAL 52 52 6722 1 . GLY 53 53 6722 1 . SER 54 54 6722 1 . CYS 55 55 6722 1 . ALA 56 56 6722 1 . ASP 57 57 6722 1 . GLU 58 58 6722 1 . ARG 59 59 6722 1 . ALA 60 60 6722 1 . ALA 61 61 6722 1 . GLY 62 62 6722 1 . VAL 63 63 6722 1 . LEU 64 64 6722 1 . ARG 65 65 6722 1 . ALA 66 66 6722 1 . HIS 67 67 6722 1 . GLY 68 68 6722 1 . TYR 69 69 6722 1 . PRO 70 70 6722 1 . THR 71 71 6722 1 . ASP 72 72 6722 1 . HIS 73 73 6722 1 . ARG 74 74 6722 1 . ALA 75 75 6722 1 . ALA 76 76 6722 1 . GLN 77 77 6722 1 . VAL 78 78 6722 1 . GLY 79 79 6722 1 . THR 80 80 6722 1 . GLU 81 81 6722 1 . HIS 82 82 6722 1 . LEU 83 83 6722 1 . ALA 84 84 6722 1 . ALA 85 85 6722 1 . ASP 86 86 6722 1 . LEU 87 87 6722 1 . LEU 88 88 6722 1 . VAL 89 89 6722 1 . ALA 90 90 6722 1 . LEU 91 91 6722 1 . ASP 92 92 6722 1 . ARG 93 93 6722 1 . ASN 94 94 6722 1 . HIS 95 95 6722 1 . ALA 96 96 6722 1 . ARG 97 97 6722 1 . LEU 98 98 6722 1 . LEU 99 99 6722 1 . ARG 100 100 6722 1 . GLN 101 101 6722 1 . LEU 102 102 6722 1 . GLY 103 103 6722 1 . VAL 104 104 6722 1 . GLU 105 105 6722 1 . ALA 106 106 6722 1 . ALA 107 107 6722 1 . ARG 108 108 6722 1 . VAL 109 109 6722 1 . ARG 110 110 6722 1 . MET 111 111 6722 1 . LEU 112 112 6722 1 . ARG 113 113 6722 1 . SER 114 114 6722 1 . PHE 115 115 6722 1 . ASP 116 116 6722 1 . PRO 117 117 6722 1 . ARG 118 118 6722 1 . SER 119 119 6722 1 . GLY 120 120 6722 1 . THR 121 121 6722 1 . HIS 122 122 6722 1 . ALA 123 123 6722 1 . LEU 124 124 6722 1 . ASP 125 125 6722 1 . VAL 126 126 6722 1 . GLU 127 127 6722 1 . ASP 128 128 6722 1 . PRO 129 129 6722 1 . TYR 130 130 6722 1 . TYR 131 131 6722 1 . GLY 132 132 6722 1 . ASP 133 133 6722 1 . HIS 134 134 6722 1 . SER 135 135 6722 1 . ASP 136 136 6722 1 . PHE 137 137 6722 1 . GLU 138 138 6722 1 . GLU 139 139 6722 1 . VAL 140 140 6722 1 . PHE 141 141 6722 1 . ALA 142 142 6722 1 . VAL 143 143 6722 1 . ILE 144 144 6722 1 . GLU 145 145 6722 1 . SER 146 146 6722 1 . ALA 147 147 6722 1 . LEU 148 148 6722 1 . PRO 149 149 6722 1 . GLY 150 150 6722 1 . LEU 151 151 6722 1 . HIS 152 152 6722 1 . ASP 153 153 6722 1 . TRP 154 154 6722 1 . VAL 155 155 6722 1 . ASP 156 156 6722 1 . GLU 157 157 6722 1 . ARG 158 158 6722 1 . LEU 159 159 6722 1 . ALA 160 160 6722 1 . ARG 161 161 6722 1 . ASN 162 162 6722 1 . GLY 163 163 6722 1 . PRO 164 164 6722 1 . SER 165 165 6722 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 6722 _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 $MPtpA . 1773 organism no . 'Mycobacterium tuberculosis' . . Eubacteria 'Not applicable' Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 6722 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 6722 _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 $MPtpA . 'recombinant technology' . 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6722 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6722 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Low-Molecular-Weight Protein Tyrosine Phosphatase' '[U-13C; U-15N]' . . 1 $MPtpA . protein 0.5 . . mM . . . . 6722 1 2 Hepes . . . . . . buffer 25 . . mM . . . . 6722 1 3 NaCL . . . . . . salt 150 . . mM . . . . 6722 1 4 DTT . . . . . . . 10 . . mM . . . . 6722 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6722 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 6722 1 temperature 298 0.1 K 6722 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6722 _Software.ID 1 _Software.Name CARA _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller, Prof. Kurt Wuthrich' . www.nmr.ch 6722 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 6722 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6722 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 2 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 3 CBCACONH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 4 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 5 HNCO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 6 HNCACO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 6722 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6722 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6722 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6722 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6722 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 1H15N_HSQC 1 $sample_1 isotropic 6722 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6722 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 3 3 MET H H 1 8.424 0.05 . 1 . . . . 1 MET H . 6722 1 2 . 1 1 3 3 MET C C 13 175.161 0.5 . 1 . . . . 1 MET C . 6722 1 3 . 1 1 3 3 MET CA C 13 55.132 0.5 . 1 . . . . 1 MET CA . 6722 1 4 . 1 1 3 3 MET CB C 13 32.199 0.5 . 1 . . . . 1 MET CB . 6722 1 5 . 1 1 3 3 MET N N 15 122.095 0.5 . 1 . . . . 1 MET N . 6722 1 6 . 1 1 4 4 SER H H 1 8.325 0.05 . 1 . . . . 2 SER H . 6722 1 7 . 1 1 4 4 SER C C 13 173.139 0.5 . 1 . . . . 2 SER C . 6722 1 8 . 1 1 4 4 SER CA C 13 57.959 0.5 . 1 . . . . 2 SER CA . 6722 1 9 . 1 1 4 4 SER CB C 13 63.506 0.5 . 1 . . . . 2 SER CB . 6722 1 10 . 1 1 4 4 SER N N 15 116.586 0.5 . 1 . . . . 2 SER N . 6722 1 11 . 1 1 5 5 ASP H H 1 8.268 0.05 . 1 . . . . 3 ASP H . 6722 1 12 . 1 1 5 5 ASP CA C 13 52.373 0.5 . 1 . . . . 3 ASP CA . 6722 1 13 . 1 1 5 5 ASP CB C 13 39.944 0.5 . 1 . . . . 3 ASP CB . 6722 1 14 . 1 1 5 5 ASP N N 15 122.988 0.5 . 1 . . . . 3 ASP N . 6722 1 15 . 1 1 6 6 PRO C C 13 176.593 0.5 . 1 . . . . 4 PRO C . 6722 1 16 . 1 1 6 6 PRO CA C 13 62.339 0.5 . 1 . . . . 4 PRO CA . 6722 1 17 . 1 1 6 6 PRO CB C 13 31.065 0.5 . 1 . . . . 4 PRO CB . 6722 1 18 . 1 1 7 7 LEU H H 1 7.644 0.05 . 1 . . . . 5 LEU H . 6722 1 19 . 1 1 7 7 LEU C C 13 174.508 0.5 . 1 . . . . 5 LEU C . 6722 1 20 . 1 1 7 7 LEU CA C 13 54.718 0.5 . 1 . . . . 5 LEU CA . 6722 1 21 . 1 1 7 7 LEU CB C 13 43.817 0.5 . 1 . . . . 5 LEU CB . 6722 1 22 . 1 1 7 7 LEU N N 15 123.005 0.5 . 1 . . . . 5 LEU N . 6722 1 23 . 1 1 8 8 HIS H H 1 10.071 0.05 . 1 . . . . 6 HIS H . 6722 1 24 . 1 1 8 8 HIS C C 13 173.708 0.5 . 1 . . . . 6 HIS C . 6722 1 25 . 1 1 8 8 HIS CA C 13 52.304 0.5 . 1 . . . . 6 HIS CA . 6722 1 26 . 1 1 8 8 HIS CB C 13 31.349 0.5 . 1 . . . . 6 HIS CB . 6722 1 27 . 1 1 8 8 HIS N N 15 126.927 0.5 . 1 . . . . 6 HIS N . 6722 1 28 . 1 1 9 9 VAL H H 1 8.907 0.05 . 1 . . . . 7 VAL H . 6722 1 29 . 1 1 9 9 VAL C C 13 171.602 0.5 . 1 . . . . 7 VAL C . 6722 1 30 . 1 1 9 9 VAL CA C 13 60.305 0.5 . 1 . . . . 7 VAL CA . 6722 1 31 . 1 1 9 9 VAL CB C 13 34.038 0.5 . 1 . . . . 7 VAL CB . 6722 1 32 . 1 1 9 9 VAL N N 15 128.347 0.5 . 1 . . . . 7 VAL N . 6722 1 33 . 1 1 10 10 THR H H 1 7.95 0.05 . 1 . . . . 8 THR H . 6722 1 34 . 1 1 10 10 THR C C 13 171.244 0.5 . 1 . . . . 8 THR C . 6722 1 35 . 1 1 10 10 THR CA C 13 57.959 0.5 . 1 . . . . 8 THR CA . 6722 1 36 . 1 1 10 10 THR CB C 13 70.36 0.5 . 1 . . . . 8 THR CB . 6722 1 37 . 1 1 10 10 THR N N 15 121.205 0.5 . 1 . . . . 8 THR N . 6722 1 38 . 1 1 11 11 PHE H H 1 8.142 0.05 . 1 . . . . 9 PHE H . 6722 1 39 . 1 1 11 11 PHE C C 13 174.087 0.5 . 1 . . . . 9 PHE C . 6722 1 40 . 1 1 11 11 PHE CA C 13 55.787 0.5 . 1 . . . . 9 PHE CA . 6722 1 41 . 1 1 11 11 PHE CB C 13 42.211 0.5 . 1 . . . . 9 PHE CB . 6722 1 42 . 1 1 11 11 PHE N N 15 125.01 0.5 . 1 . . . . 9 PHE N . 6722 1 43 . 1 1 12 12 VAL H H 1 8.683 0.05 . 1 . . . . 10 VAL H . 6722 1 44 . 1 1 12 12 VAL CA C 13 59.994 0.5 . 1 . . . . 10 VAL CA . 6722 1 45 . 1 1 12 12 VAL CB C 13 34.985 0.5 . 1 . . . . 10 VAL CB . 6722 1 46 . 1 1 12 12 VAL N N 15 120.641 0.5 . 1 . . . . 10 VAL N . 6722 1 47 . 1 1 13 13 CYS H H 1 7.83 0.05 . 1 . . . . 11 CYS H . 6722 1 48 . 1 1 13 13 CYS CA C 13 57.063 0.5 . 1 . . . . 11 CYS CA . 6722 1 49 . 1 1 13 13 CYS CB C 13 29.723 0.5 . 1 . . . . 11 CYS CB . 6722 1 50 . 1 1 13 13 CYS N N 15 122.867 0.5 . 1 . . . . 11 CYS N . 6722 1 51 . 1 1 14 14 THR C C 13 180.762 0.5 . 1 . . . . 12 THR C . 6722 1 52 . 1 1 15 15 GLY H H 1 7.487 0.05 . 1 . . . . 13 GLY H . 6722 1 53 . 1 1 15 15 GLY C C 13 172.761 0.5 . 1 . . . . 13 GLY C . 6722 1 54 . 1 1 15 15 GLY CA C 13 43.732 0.5 . 1 . . . . 13 GLY CA . 6722 1 55 . 1 1 15 15 GLY N N 15 117.618 0.5 . 1 . . . . 13 GLY N . 6722 1 56 . 1 1 16 16 ASN H H 1 9.239 0.05 . 1 . . . . 14 ASN H . 6722 1 57 . 1 1 16 16 ASN C C 13 178.278 0.5 . 1 . . . . 14 ASN C . 6722 1 58 . 1 1 16 16 ASN CA C 13 53.809 0.5 . 1 . . . . 14 ASN CA . 6722 1 59 . 1 1 16 16 ASN CB C 13 39.874 0.5 . 1 . . . . 14 ASN CB . 6722 1 60 . 1 1 16 16 ASN N N 15 119.457 0.5 . 1 . . . . 14 ASN N . 6722 1 61 . 1 1 17 17 ILE H H 1 7.837 0.05 . 1 . . . . 15 ILE H . 6722 1 62 . 1 1 17 17 ILE C C 13 178.299 0.5 . 1 . . . . 15 ILE C . 6722 1 63 . 1 1 17 17 ILE CA C 13 62.408 0.5 . 1 . . . . 15 ILE CA . 6722 1 64 . 1 1 17 17 ILE CB C 13 38.756 0.5 . 1 . . . . 15 ILE CB . 6722 1 65 . 1 1 17 17 ILE N N 15 118.642 0.5 . 1 . . . . 15 ILE N . 6722 1 66 . 1 1 18 18 CYS H H 1 8.154 0.05 . 1 . . . . 16 CYS H . 6722 1 67 . 1 1 18 18 CYS C C 13 178.636 0.5 . 1 . . . . 16 CYS C . 6722 1 68 . 1 1 18 18 CYS CA C 13 59.032 0.5 . 1 . . . . 16 CYS CA . 6722 1 69 . 1 1 18 18 CYS CB C 13 28.305 0.5 . 1 . . . . 16 CYS CB . 6722 1 70 . 1 1 18 18 CYS N N 15 121.009 0.5 . 1 . . . . 16 CYS N . 6722 1 71 . 1 1 19 19 ARG H H 1 7.863 0.05 . 1 . . . . 17 ARG H . 6722 1 72 . 1 1 19 19 ARG C C 13 178.068 0.5 . 1 . . . . 17 ARG C . 6722 1 73 . 1 1 19 19 ARG CA C 13 58.891 0.5 . 1 . . . . 17 ARG CA . 6722 1 74 . 1 1 19 19 ARG CB C 13 28.231 0.5 . 1 . . . . 17 ARG CB . 6722 1 75 . 1 1 19 19 ARG N N 15 121.215 0.5 . 1 . . . . 17 ARG N . 6722 1 76 . 1 1 20 20 SER H H 1 7.759 0.05 . 1 . . . . 18 SER H . 6722 1 77 . 1 1 20 20 SER CA C 13 66.616 0.5 . 1 . . . . 18 SER CA . 6722 1 78 . 1 1 20 20 SER CB C 13 66.084 0.5 . 1 . . . . 18 SER CB . 6722 1 79 . 1 1 20 20 SER N N 15 119.664 0.5 . 1 . . . . 18 SER N . 6722 1 80 . 1 1 21 21 PRO C C 13 177.625 0.5 . 1 . . . . 19 PRO C . 6722 1 81 . 1 1 21 21 PRO CA C 13 64.477 0.5 . 1 . . . . 19 PRO CA . 6722 1 82 . 1 1 21 21 PRO CB C 13 27.356 0.5 . 1 . . . . 19 PRO CB . 6722 1 83 . 1 1 22 22 MET H H 1 6.328 0.05 . 1 . . . . 20 MET H . 6722 1 84 . 1 1 22 22 MET C C 13 175.161 0.5 . 1 . . . . 20 MET C . 6722 1 85 . 1 1 22 22 MET CA C 13 59.684 0.5 . 1 . . . . 20 MET CA . 6722 1 86 . 1 1 22 22 MET CB C 13 32.577 0.5 . 1 . . . . 20 MET CB . 6722 1 87 . 1 1 22 22 MET N N 15 112.253 0.5 . 1 . . . . 20 MET N . 6722 1 88 . 1 1 23 23 ALA H H 1 6.579 0.05 . 1 . . . . 21 ALA H . 6722 1 89 . 1 1 23 23 ALA C C 13 176.193 0.5 . 1 . . . . 21 ALA C . 6722 1 90 . 1 1 23 23 ALA CA C 13 54.442 0.5 . 1 . . . . 21 ALA CA . 6722 1 91 . 1 1 23 23 ALA CB C 13 15.952 0.5 . 1 . . . . 21 ALA CB . 6722 1 92 . 1 1 23 23 ALA N N 15 117.422 0.5 . 1 . . . . 21 ALA N . 6722 1 93 . 1 1 24 24 GLU H H 1 7.745 0.05 . 1 . . . . 22 GLU H . 6722 1 94 . 1 1 24 24 GLU C C 13 177.141 0.5 . 1 . . . . 22 GLU C . 6722 1 95 . 1 1 24 24 GLU CA C 13 59.029 0.5 . 1 . . . . 22 GLU CA . 6722 1 96 . 1 1 24 24 GLU CB C 13 29.306 0.5 . 1 . . . . 22 GLU CB . 6722 1 97 . 1 1 24 24 GLU N N 15 115.182 0.5 . 1 . . . . 22 GLU N . 6722 1 98 . 1 1 25 25 LYS H H 1 8.071 0.05 . 1 . . . . 23 LYS H . 6722 1 99 . 1 1 25 25 LYS C C 13 180.532 0.5 . 1 . . . . 23 LYS C . 6722 1 100 . 1 1 25 25 LYS CA C 13 57.132 0.5 . 1 . . . . 23 LYS CA . 6722 1 101 . 1 1 25 25 LYS CB C 13 29.554 0.5 . 1 . . . . 23 LYS CB . 6722 1 102 . 1 1 25 25 LYS N N 15 113.765 0.5 . 1 . . . . 23 LYS N . 6722 1 103 . 1 1 26 26 MET H H 1 7.575 0.05 . 1 . . . . 24 MET H . 6722 1 104 . 1 1 26 26 MET C C 13 179.837 0.5 . 1 . . . . 24 MET C . 6722 1 105 . 1 1 26 26 MET CA C 13 57.373 0.5 . 1 . . . . 24 MET CA . 6722 1 106 . 1 1 26 26 MET CB C 13 34.844 0.5 . 1 . . . . 24 MET CB . 6722 1 107 . 1 1 26 26 MET N N 15 114.92 0.5 . 1 . . . . 24 MET N . 6722 1 108 . 1 1 27 27 PHE H H 1 8.555 0.05 . 1 . . . . 25 PHE H . 6722 1 109 . 1 1 27 27 PHE C C 13 177.225 0.5 . 1 . . . . 25 PHE C . 6722 1 110 . 1 1 27 27 PHE CA C 13 59.58 0.5 . 1 . . . . 25 PHE CA . 6722 1 111 . 1 1 27 27 PHE CB C 13 38.792 0.5 . 1 . . . . 25 PHE CB . 6722 1 112 . 1 1 27 27 PHE N N 15 118.75 0.5 . 1 . . . . 25 PHE N . 6722 1 113 . 1 1 28 28 ALA H H 1 8.793 0.05 . 1 . . . . 26 ALA H . 6722 1 114 . 1 1 28 28 ALA C C 13 179.984 0.5 . 1 . . . . 26 ALA C . 6722 1 115 . 1 1 28 28 ALA CA C 13 55.545 0.5 . 1 . . . . 26 ALA CA . 6722 1 116 . 1 1 28 28 ALA CB C 13 17.771 0.5 . 1 . . . . 26 ALA CB . 6722 1 117 . 1 1 28 28 ALA N N 15 117.477 0.5 . 1 . . . . 26 ALA N . 6722 1 118 . 1 1 29 29 GLN H H 1 7.66 0.05 . 1 . . . . 27 GLN H . 6722 1 119 . 1 1 29 29 GLN C C 13 177.057 0.5 . 1 . . . . 27 GLN C . 6722 1 120 . 1 1 29 29 GLN CA C 13 59.132 0.5 . 1 . . . . 27 GLN CA . 6722 1 121 . 1 1 29 29 GLN CB C 13 27.948 0.5 . 1 . . . . 27 GLN CB . 6722 1 122 . 1 1 29 29 GLN N N 15 117.227 0.5 . 1 . . . . 27 GLN N . 6722 1 123 . 1 1 30 30 GLN H H 1 8.184 0.05 . 1 . . . . 28 GLN H . 6722 1 124 . 1 1 30 30 GLN C C 13 179.963 0.5 . 1 . . . . 28 GLN C . 6722 1 125 . 1 1 30 30 GLN CA C 13 58.58 0.5 . 1 . . . . 28 GLN CA . 6722 1 126 . 1 1 30 30 GLN CB C 13 26.346 0.5 . 1 . . . . 28 GLN CB . 6722 1 127 . 1 1 30 30 GLN N N 15 117.18 0.5 . 1 . . . . 28 GLN N . 6722 1 128 . 1 1 31 31 LEU H H 1 8.527 0.05 . 1 . . . . 29 LEU H . 6722 1 129 . 1 1 31 31 LEU C C 13 178.552 0.5 . 1 . . . . 29 LEU C . 6722 1 130 . 1 1 31 31 LEU CA C 13 57.615 0.5 . 1 . . . . 29 LEU CA . 6722 1 131 . 1 1 31 31 LEU CB C 13 41.317 0.5 . 1 . . . . 29 LEU CB . 6722 1 132 . 1 1 31 31 LEU N N 15 118.986 0.5 . 1 . . . . 29 LEU N . 6722 1 133 . 1 1 32 32 ARG H H 1 7.746 0.05 . 1 . . . . 30 ARG H . 6722 1 134 . 1 1 32 32 ARG CA C 13 57.89 0.5 . 1 . . . . 30 ARG CA . 6722 1 135 . 1 1 32 32 ARG CB C 13 28.137 0.5 . 1 . . . . 30 ARG CB . 6722 1 136 . 1 1 32 32 ARG N N 15 117.237 0.5 . 1 . . . . 30 ARG N . 6722 1 137 . 1 1 33 33 HIS C C 13 176.299 0.5 . 1 . . . . 31 HIS C . 6722 1 138 . 1 1 33 33 HIS CA C 13 57.511 0.5 . 1 . . . . 31 HIS CA . 6722 1 139 . 1 1 33 33 HIS CB C 13 30.498 0.5 . 1 . . . . 31 HIS CB . 6722 1 140 . 1 1 34 34 ARG H H 1 7.474 0.05 . 1 . . . . 32 ARG H . 6722 1 141 . 1 1 34 34 ARG C C 13 175.245 0.5 . 1 . . . . 32 ARG C . 6722 1 142 . 1 1 34 34 ARG CA C 13 55.339 0.5 . 1 . . . . 32 ARG CA . 6722 1 143 . 1 1 34 34 ARG N N 15 115.14 0.5 . 1 . . . . 32 ARG N . 6722 1 144 . 1 1 35 35 GLY H H 1 7.734 0.05 . 1 . . . . 33 GLY H . 6722 1 145 . 1 1 35 35 GLY C C 13 175.161 0.5 . 1 . . . . 33 GLY C . 6722 1 146 . 1 1 35 35 GLY CA C 13 45.706 0.5 . 1 . . . . 33 GLY CA . 6722 1 147 . 1 1 35 35 GLY N N 15 106.44 0.5 . 1 . . . . 33 GLY N . 6722 1 148 . 1 1 36 36 LEU H H 1 7.96 0.05 . 1 . . . . 34 LEU H . 6722 1 149 . 1 1 36 36 LEU C C 13 177.036 0.5 . 1 . . . . 34 LEU C . 6722 1 150 . 1 1 36 36 LEU CA C 13 53.545 0.5 . 1 . . . . 34 LEU CA . 6722 1 151 . 1 1 36 36 LEU CB C 13 42.495 0.5 . 1 . . . . 34 LEU CB . 6722 1 152 . 1 1 36 36 LEU N N 15 119.674 0.5 . 1 . . . . 34 LEU N . 6722 1 153 . 1 1 37 37 GLY H H 1 8.849 0.05 . 1 . . . . 35 GLY H . 6722 1 154 . 1 1 37 37 GLY C C 13 173.371 0.5 . 1 . . . . 35 GLY C . 6722 1 155 . 1 1 37 37 GLY CA C 13 46.544 0.5 . 1 . . . . 35 GLY CA . 6722 1 156 . 1 1 37 37 GLY N N 15 108.425 0.5 . 1 . . . . 35 GLY N . 6722 1 157 . 1 1 38 38 ASP H H 1 8.29 0.05 . 1 . . . . 36 ASP H . 6722 1 158 . 1 1 38 38 ASP C C 13 175.835 0.5 . 1 . . . . 36 ASP C . 6722 1 159 . 1 1 38 38 ASP CA C 13 53.787 0.5 . 1 . . . . 36 ASP CA . 6722 1 160 . 1 1 38 38 ASP CB C 13 40.638 0.5 . 1 . . . . 36 ASP CB . 6722 1 161 . 1 1 38 38 ASP N N 15 114.937 0.5 . 1 . . . . 36 ASP N . 6722 1 162 . 1 1 39 39 ALA H H 1 7.361 0.05 . 1 . . . . 37 ALA H . 6722 1 163 . 1 1 39 39 ALA C C 13 175.688 0.5 . 1 . . . . 37 ALA C . 6722 1 164 . 1 1 39 39 ALA CA C 13 52.442 0.5 . 1 . . . . 37 ALA CA . 6722 1 165 . 1 1 39 39 ALA CB C 13 20.108 0.5 . 1 . . . . 37 ALA CB . 6722 1 166 . 1 1 39 39 ALA N N 15 121.176 0.5 . 1 . . . . 37 ALA N . 6722 1 167 . 1 1 40 40 VAL H H 1 7.087 0.05 . 1 . . . . 38 VAL H . 6722 1 168 . 1 1 40 40 VAL C C 13 173.203 0.5 . 1 . . . . 38 VAL C . 6722 1 169 . 1 1 40 40 VAL CA C 13 59.511 0.5 . 1 . . . . 38 VAL CA . 6722 1 170 . 1 1 40 40 VAL CB C 13 34.56 0.5 . 1 . . . . 38 VAL CB . 6722 1 171 . 1 1 40 40 VAL N N 15 115.382 0.5 . 1 . . . . 38 VAL N . 6722 1 172 . 1 1 41 41 ARG H H 1 9.726 0.05 . 1 . . . . 39 ARG H . 6722 1 173 . 1 1 41 41 ARG C C 13 173.308 0.5 . 1 . . . . 39 ARG C . 6722 1 174 . 1 1 41 41 ARG CA C 13 54.166 0.5 . 1 . . . . 39 ARG CA . 6722 1 175 . 1 1 41 41 ARG CB C 13 31.632 0.5 . 1 . . . . 39 ARG CB . 6722 1 176 . 1 1 41 41 ARG N N 15 129.004 0.5 . 1 . . . . 39 ARG N . 6722 1 177 . 1 1 42 42 VAL H H 1 8.634 0.05 . 1 . . . . 40 VAL H . 6722 1 178 . 1 1 42 42 VAL C C 13 175.561 0.5 . 1 . . . . 40 VAL C . 6722 1 179 . 1 1 42 42 VAL CA C 13 60.098 0.5 . 1 . . . . 40 VAL CA . 6722 1 180 . 1 1 42 42 VAL CB C 13 33.11 0.5 . 1 . . . . 40 VAL CB . 6722 1 181 . 1 1 42 42 VAL N N 15 126.023 0.5 . 1 . . . . 40 VAL N . 6722 1 182 . 1 1 43 43 THR H H 1 8.858 0.05 . 1 . . . . 41 THR H . 6722 1 183 . 1 1 43 43 THR C C 13 172.971 0.5 . 1 . . . . 41 THR C . 6722 1 184 . 1 1 43 43 THR CA C 13 59.856 0.5 . 1 . . . . 41 THR CA . 6722 1 185 . 1 1 43 43 THR CB C 13 73.428 0.5 . 1 . . . . 41 THR CB . 6722 1 186 . 1 1 43 43 THR N N 15 116.993 0.5 . 1 . . . . 41 THR N . 6722 1 187 . 1 1 44 44 SER H H 1 8.026 0.05 . 1 . . . . 42 SER H . 6722 1 188 . 1 1 44 44 SER C C 13 171.181 0.5 . 1 . . . . 42 SER C . 6722 1 189 . 1 1 44 44 SER CA C 13 57.615 0.5 . 1 . . . . 42 SER CA . 6722 1 190 . 1 1 44 44 SER CB C 13 65.688 0.5 . 1 . . . . 42 SER CB . 6722 1 191 . 1 1 44 44 SER N N 15 109.585 0.5 . 1 . . . . 42 SER N . 6722 1 192 . 1 1 45 45 ALA H H 1 8.689 0.05 . 1 . . . . 43 ALA H . 6722 1 193 . 1 1 45 45 ALA C C 13 174.003 0.5 . 1 . . . . 43 ALA C . 6722 1 194 . 1 1 45 45 ALA CA C 13 50.579 0.5 . 1 . . . . 43 ALA CA . 6722 1 195 . 1 1 45 45 ALA CB C 13 20.108 0.5 . 1 . . . . 43 ALA CB . 6722 1 196 . 1 1 45 45 ALA N N 15 118.785 0.5 . 1 . . . . 43 ALA N . 6722 1 197 . 1 1 46 46 GLY H H 1 8.652 0.05 . 1 . . . . 44 GLY H . 6722 1 198 . 1 1 46 46 GLY C C 13 173.877 0.5 . 1 . . . . 44 GLY C . 6722 1 199 . 1 1 46 46 GLY CA C 13 41.986 0.5 . 1 . . . . 44 GLY CA . 6722 1 200 . 1 1 46 46 GLY N N 15 103.657 0.5 . 1 . . . . 44 GLY N . 6722 1 201 . 1 1 47 47 THR H H 1 9.156 0.05 . 1 . . . . 45 THR H . 6722 1 202 . 1 1 47 47 THR C C 13 176.425 0.5 . 1 . . . . 45 THR C . 6722 1 203 . 1 1 47 47 THR CA C 13 64.27 0.5 . 1 . . . . 45 THR CA . 6722 1 204 . 1 1 47 47 THR CB C 13 67.243 0.5 . 1 . . . . 45 THR CB . 6722 1 205 . 1 1 47 47 THR N N 15 113.945 0.5 . 1 . . . . 45 THR N . 6722 1 206 . 1 1 48 48 GLY H H 1 8.932 0.05 . 1 . . . . 46 GLY H . 6722 1 207 . 1 1 48 48 GLY C C 13 173.16 0.5 . 1 . . . . 46 GLY C . 6722 1 208 . 1 1 48 48 GLY CA C 13 43.295 0.5 . 1 . . . . 46 GLY CA . 6722 1 209 . 1 1 48 48 GLY N N 15 110.338 0.5 . 1 . . . . 46 GLY N . 6722 1 210 . 1 1 49 49 ASN H H 1 7.689 0.05 . 1 . . . . 47 ASN H . 6722 1 211 . 1 1 49 49 ASN CA C 13 51.097 0.5 . 1 . . . . 47 ASN CA . 6722 1 212 . 1 1 49 49 ASN CB C 13 38.171 0.5 . 1 . . . . 47 ASN CB . 6722 1 213 . 1 1 49 49 ASN N N 15 113.32 0.5 . 1 . . . . 47 ASN N . 6722 1 214 . 1 1 50 50 TRP C C 13 177.036 0.5 . 1 . . . . 48 TRP C . 6722 1 215 . 1 1 50 50 TRP CA C 13 60.236 0.5 . 1 . . . . 48 TRP CA . 6722 1 216 . 1 1 51 51 HIS H H 1 8.648 0.05 . 1 . . . . 49 HIS H . 6722 1 217 . 1 1 51 51 HIS C C 13 174.529 0.5 . 1 . . . . 49 HIS C . 6722 1 218 . 1 1 51 51 HIS CA C 13 53.304 0.5 . 1 . . . . 49 HIS CA . 6722 1 219 . 1 1 51 51 HIS CB C 13 29.89 0.5 . 1 . . . . 49 HIS CB . 6722 1 220 . 1 1 51 51 HIS N N 15 111.977 0.5 . 1 . . . . 49 HIS N . 6722 1 221 . 1 1 52 52 VAL H H 1 6.864 0.05 . 1 . . . . 50 VAL H . 6722 1 222 . 1 1 52 52 VAL C C 13 176.762 0.5 . 1 . . . . 50 VAL C . 6722 1 223 . 1 1 52 52 VAL CA C 13 65.271 0.5 . 1 . . . . 50 VAL CA . 6722 1 224 . 1 1 52 52 VAL CB C 13 30.687 0.5 . 1 . . . . 50 VAL CB . 6722 1 225 . 1 1 52 52 VAL N N 15 118.729 0.5 . 1 . . . . 50 VAL N . 6722 1 226 . 1 1 53 53 GLY H H 1 9.095 0.05 . 1 . . . . 51 GLY H . 6722 1 227 . 1 1 53 53 GLY C C 13 173.898 0.5 . 1 . . . . 51 GLY C . 6722 1 228 . 1 1 53 53 GLY CA C 13 44.339 0.5 . 1 . . . . 51 GLY CA . 6722 1 229 . 1 1 53 53 GLY N N 15 115.122 0.5 . 1 . . . . 51 GLY N . 6722 1 230 . 1 1 54 54 SER H H 1 8.387 0.05 . 1 . . . . 52 SER H . 6722 1 231 . 1 1 54 54 SER C C 13 173.287 0.5 . 1 . . . . 52 SER C . 6722 1 232 . 1 1 54 54 SER CA C 13 58.822 0.5 . 1 . . . . 52 SER CA . 6722 1 233 . 1 1 54 54 SER CB C 13 64.265 0.5 . 1 . . . . 52 SER CB . 6722 1 234 . 1 1 54 54 SER N N 15 116.269 0.5 . 1 . . . . 52 SER N . 6722 1 235 . 1 1 55 55 CYS H H 1 8.171 0.05 . 1 . . . . 53 CYS H . 6722 1 236 . 1 1 55 55 CYS C C 13 178.826 0.5 . 1 . . . . 53 CYS C . 6722 1 237 . 1 1 55 55 CYS CA C 13 57.132 0.5 . 1 . . . . 53 CYS CA . 6722 1 238 . 1 1 55 55 CYS CB C 13 27.639 0.5 . 1 . . . . 53 CYS CB . 6722 1 239 . 1 1 55 55 CYS N N 15 118.491 0.5 . 1 . . . . 53 CYS N . 6722 1 240 . 1 1 56 56 ALA H H 1 8.446 0.05 . 1 . . . . 54 ALA H . 6722 1 241 . 1 1 56 56 ALA C C 13 176.172 0.5 . 1 . . . . 54 ALA C . 6722 1 242 . 1 1 56 56 ALA CA C 13 52.062 0.5 . 1 . . . . 54 ALA CA . 6722 1 243 . 1 1 56 56 ALA CB C 13 16.046 0.5 . 1 . . . . 54 ALA CB . 6722 1 244 . 1 1 56 56 ALA N N 15 118.268 0.5 . 1 . . . . 54 ALA N . 6722 1 245 . 1 1 57 57 ASP H H 1 8.496 0.05 . 1 . . . . 55 ASP H . 6722 1 246 . 1 1 57 57 ASP C C 13 176.846 0.5 . 1 . . . . 55 ASP C . 6722 1 247 . 1 1 57 57 ASP CA C 13 54.407 0.5 . 1 . . . . 55 ASP CA . 6722 1 248 . 1 1 57 57 ASP CB C 13 45.517 0.5 . 1 . . . . 55 ASP CB . 6722 1 249 . 1 1 57 57 ASP N N 15 121.341 0.5 . 1 . . . . 55 ASP N . 6722 1 250 . 1 1 58 58 GLU H H 1 9.23 0.05 . 1 . . . . 56 GLU H . 6722 1 251 . 1 1 58 58 GLU C C 13 178.552 0.5 . 1 . . . . 56 GLU C . 6722 1 252 . 1 1 58 58 GLU CA C 13 59.132 0.5 . 1 . . . . 56 GLU CA . 6722 1 253 . 1 1 58 58 GLU CB C 13 28.798 0.5 . 1 . . . . 56 GLU CB . 6722 1 254 . 1 1 58 58 GLU N N 15 127.388 0.5 . 1 . . . . 56 GLU N . 6722 1 255 . 1 1 59 59 ARG H H 1 9.184 0.05 . 1 . . . . 57 ARG H . 6722 1 256 . 1 1 59 59 ARG C C 13 178.236 0.5 . 1 . . . . 57 ARG C . 6722 1 257 . 1 1 59 59 ARG CA C 13 57.615 0.5 . 1 . . . . 57 ARG CA . 6722 1 258 . 1 1 59 59 ARG CB C 13 26.626 0.5 . 1 . . . . 57 ARG CB . 6722 1 259 . 1 1 59 59 ARG N N 15 120.501 0.5 . 1 . . . . 57 ARG N . 6722 1 260 . 1 1 60 60 ALA H H 1 6.642 0.05 . 1 . . . . 58 ALA H . 6722 1 261 . 1 1 60 60 ALA C C 13 177.836 0.5 . 1 . . . . 58 ALA C . 6722 1 262 . 1 1 60 60 ALA CA C 13 54.2 0.5 . 1 . . . . 58 ALA CA . 6722 1 263 . 1 1 60 60 ALA CB C 13 17.841 0.5 . 1 . . . . 58 ALA CB . 6722 1 264 . 1 1 60 60 ALA N N 15 121.393 0.5 . 1 . . . . 58 ALA N . 6722 1 265 . 1 1 61 61 ALA H H 1 8.542 0.05 . 1 . . . . 59 ALA H . 6722 1 266 . 1 1 61 61 ALA C C 13 178.552 0.5 . 1 . . . . 59 ALA C . 6722 1 267 . 1 1 61 61 ALA CA C 13 54.732 0.5 . 1 . . . . 59 ALA CA . 6722 1 268 . 1 1 61 61 ALA CB C 13 17.558 0.5 . 1 . . . . 59 ALA CB . 6722 1 269 . 1 1 61 61 ALA N N 15 118.592 0.5 . 1 . . . . 59 ALA N . 6722 1 270 . 1 1 62 62 GLY H H 1 8.188 0.05 . 1 . . . . 60 GLY H . 6722 1 271 . 1 1 62 62 GLY C C 13 176.13 0.5 . 1 . . . . 60 GLY C . 6722 1 272 . 1 1 62 62 GLY CA C 13 46.745 0.5 . 1 . . . . 60 GLY CA . 6722 1 273 . 1 1 62 62 GLY N N 15 103.8 0.5 . 1 . . . . 60 GLY N . 6722 1 274 . 1 1 63 63 VAL H H 1 7.293 0.05 . 1 . . . . 61 VAL H . 6722 1 275 . 1 1 63 63 VAL C C 13 177.352 0.5 . 1 . . . . 61 VAL C . 6722 1 276 . 1 1 63 63 VAL CA C 13 65.822 0.5 . 1 . . . . 61 VAL CA . 6722 1 277 . 1 1 63 63 VAL CB C 13 31.254 0.5 . 1 . . . . 61 VAL CB . 6722 1 278 . 1 1 63 63 VAL N N 15 122.549 0.5 . 1 . . . . 61 VAL N . 6722 1 279 . 1 1 64 64 LEU H H 1 8.092 0.05 . 1 . . . . 62 LEU H . 6722 1 280 . 1 1 64 64 LEU C C 13 179.142 0.5 . 1 . . . . 62 LEU C . 6722 1 281 . 1 1 64 64 LEU CA C 13 58.442 0.5 . 1 . . . . 62 LEU CA . 6722 1 282 . 1 1 64 64 LEU CB C 13 40.823 0.5 . 1 . . . . 62 LEU CB . 6722 1 283 . 1 1 64 64 LEU N N 15 120.002 0.5 . 1 . . . . 62 LEU N . 6722 1 284 . 1 1 65 65 ARG H H 1 8.734 0.05 . 1 . . . . 63 ARG H . 6722 1 285 . 1 1 65 65 ARG C C 13 180.342 0.5 . 1 . . . . 63 ARG C . 6722 1 286 . 1 1 65 65 ARG CA C 13 58.925 0.5 . 1 . . . . 63 ARG CA . 6722 1 287 . 1 1 65 65 ARG CB C 13 29.648 0.5 . 1 . . . . 63 ARG CB . 6722 1 288 . 1 1 65 65 ARG N N 15 119.126 0.5 . 1 . . . . 63 ARG N . 6722 1 289 . 1 1 66 66 ALA H H 1 7.907 0.05 . 1 . . . . 64 ALA H . 6722 1 290 . 1 1 66 66 ALA C C 13 178.32 0.5 . 1 . . . . 64 ALA C . 6722 1 291 . 1 1 66 66 ALA CA C 13 53.994 0.5 . 1 . . . . 64 ALA CA . 6722 1 292 . 1 1 66 66 ALA CB C 13 17.369 0.5 . 1 . . . . 64 ALA CB . 6722 1 293 . 1 1 66 66 ALA N N 15 122.272 0.5 . 1 . . . . 64 ALA N . 6722 1 294 . 1 1 67 67 HIS H H 1 7.399 0.05 . 1 . . . . 65 HIS H . 6722 1 295 . 1 1 67 67 HIS C C 13 173.224 0.5 . 1 . . . . 65 HIS C . 6722 1 296 . 1 1 67 67 HIS CA C 13 54.794 0.5 . 1 . . . . 65 HIS CA . 6722 1 297 . 1 1 67 67 HIS CB C 13 29.459 0.5 . 1 . . . . 65 HIS CB . 6722 1 298 . 1 1 67 67 HIS N N 15 112.303 0.5 . 1 . . . . 65 HIS N . 6722 1 299 . 1 1 68 68 GLY H H 1 7.847 0.05 . 1 . . . . 66 GLY H . 6722 1 300 . 1 1 68 68 GLY C C 13 173.518 0.5 . 1 . . . . 66 GLY C . 6722 1 301 . 1 1 68 68 GLY CA C 13 45.801 0.5 . 1 . . . . 66 GLY CA . 6722 1 302 . 1 1 68 68 GLY N N 15 107.154 0.5 . 1 . . . . 66 GLY N . 6722 1 303 . 1 1 69 69 TYR H H 1 8.373 0.05 . 1 . . . . 67 TYR H . 6722 1 304 . 1 1 69 69 TYR CA C 13 56.58 0.5 . 1 . . . . 67 TYR CA . 6722 1 305 . 1 1 69 69 TYR CB C 13 39.283 0.5 . 1 . . . . 67 TYR CB . 6722 1 306 . 1 1 69 69 TYR N N 15 119.617 0.5 . 1 . . . . 67 TYR N . 6722 1 307 . 1 1 70 70 PRO C C 13 174.382 0.5 . 1 . . . . 68 PRO C . 6722 1 308 . 1 1 70 70 PRO CA C 13 62.204 0.5 . 1 . . . . 68 PRO CA . 6722 1 309 . 1 1 70 70 PRO CB C 13 32.102 0.5 . 1 . . . . 68 PRO CB . 6722 1 310 . 1 1 71 71 THR H H 1 7.847 0.05 . 1 . . . . 69 THR H . 6722 1 311 . 1 1 71 71 THR C C 13 174.34 0.5 . 1 . . . . 69 THR C . 6722 1 312 . 1 1 71 71 THR CA C 13 60.878 0.5 . 1 . . . . 69 THR CA . 6722 1 313 . 1 1 71 71 THR CB C 13 70.36 0.5 . 1 . . . . 69 THR CB . 6722 1 314 . 1 1 71 71 THR N N 15 100.304 0.5 . 1 . . . . 69 THR N . 6722 1 315 . 1 1 72 72 ASP H H 1 7.931 0.05 . 1 . . . . 70 ASP H . 6722 1 316 . 1 1 72 72 ASP C C 13 175.814 0.5 . 1 . . . . 70 ASP C . 6722 1 317 . 1 1 72 72 ASP CA C 13 55.573 0.5 . 1 . . . . 70 ASP CA . 6722 1 318 . 1 1 72 72 ASP CB C 13 40.318 0.5 . 1 . . . . 70 ASP CB . 6722 1 319 . 1 1 72 72 ASP N N 15 122.622 0.5 . 1 . . . . 70 ASP N . 6722 1 320 . 1 1 73 73 HIS H H 1 7.991 0.05 . 1 . . . . 71 HIS H . 6722 1 321 . 1 1 73 73 HIS C C 13 172.171 0.5 . 1 . . . . 71 HIS C . 6722 1 322 . 1 1 73 73 HIS CA C 13 56.89 0.5 . 1 . . . . 71 HIS CA . 6722 1 323 . 1 1 73 73 HIS CB C 13 34.655 0.5 . 1 . . . . 71 HIS CB . 6722 1 324 . 1 1 73 73 HIS N N 15 121.414 0.5 . 1 . . . . 71 HIS N . 6722 1 325 . 1 1 74 74 ARG H H 1 7.239 0.05 . 1 . . . . 72 ARG H . 6722 1 326 . 1 1 74 74 ARG C C 13 174.087 0.5 . 1 . . . . 72 ARG C . 6722 1 327 . 1 1 74 74 ARG CA C 13 53.856 0.5 . 1 . . . . 72 ARG CA . 6722 1 328 . 1 1 74 74 ARG CB C 13 31.632 0.5 . 1 . . . . 72 ARG CB . 6722 1 329 . 1 1 74 74 ARG N N 15 125.45 0.5 . 1 . . . . 72 ARG N . 6722 1 330 . 1 1 75 75 ALA H H 1 9.077 0.05 . 1 . . . . 73 ALA H . 6722 1 331 . 1 1 75 75 ALA C C 13 177.31 0.5 . 1 . . . . 73 ALA C . 6722 1 332 . 1 1 75 75 ALA CA C 13 51.648 0.5 . 1 . . . . 73 ALA CA . 6722 1 333 . 1 1 75 75 ALA CB C 13 18.219 0.5 . 1 . . . . 73 ALA CB . 6722 1 334 . 1 1 75 75 ALA N N 15 127.743 0.5 . 1 . . . . 73 ALA N . 6722 1 335 . 1 1 76 76 ALA H H 1 9.391 0.05 . 1 . . . . 74 ALA H . 6722 1 336 . 1 1 76 76 ALA C C 13 175.372 0.5 . 1 . . . . 74 ALA C . 6722 1 337 . 1 1 76 76 ALA CA C 13 50.372 0.5 . 1 . . . . 74 ALA CA . 6722 1 338 . 1 1 76 76 ALA CB C 13 22.942 0.5 . 1 . . . . 74 ALA CB . 6722 1 339 . 1 1 76 76 ALA N N 15 125.891 0.5 . 1 . . . . 74 ALA N . 6722 1 340 . 1 1 77 77 GLN H H 1 8.814 0.05 . 1 . . . . 75 GLN H . 6722 1 341 . 1 1 77 77 GLN C C 13 174.024 0.5 . 1 . . . . 75 GLN C . 6722 1 342 . 1 1 77 77 GLN CA C 13 52.993 0.5 . 1 . . . . 75 GLN CA . 6722 1 343 . 1 1 77 77 GLN CB C 13 29.356 0.5 . 1 . . . . 75 GLN CB . 6722 1 344 . 1 1 77 77 GLN N N 15 123.101 0.5 . 1 . . . . 75 GLN N . 6722 1 345 . 1 1 78 78 VAL H H 1 8.535 0.05 . 1 . . . . 76 VAL H . 6722 1 346 . 1 1 78 78 VAL C C 13 174.972 0.5 . 1 . . . . 76 VAL C . 6722 1 347 . 1 1 78 78 VAL CA C 13 63.167 0.5 . 1 . . . . 76 VAL CA . 6722 1 348 . 1 1 78 78 VAL CB C 13 32.01 0.5 . 1 . . . . 76 VAL CB . 6722 1 349 . 1 1 78 78 VAL N N 15 125.226 0.5 . 1 . . . . 76 VAL N . 6722 1 350 . 1 1 79 79 GLY H H 1 10.944 0.05 . 1 . . . . 77 GLY H . 6722 1 351 . 1 1 79 79 GLY C C 13 173.94 0.5 . 1 . . . . 77 GLY C . 6722 1 352 . 1 1 79 79 GLY CA C 13 43.25 0.5 . 1 . . . . 77 GLY CA . 6722 1 353 . 1 1 79 79 GLY N N 15 121.792 0.5 . 1 . . . . 77 GLY N . 6722 1 354 . 1 1 80 80 THR H H 1 8.545 0.05 . 1 . . . . 78 THR H . 6722 1 355 . 1 1 80 80 THR C C 13 176.362 0.5 . 1 . . . . 78 THR C . 6722 1 356 . 1 1 80 80 THR CA C 13 66.098 0.5 . 1 . . . . 78 THR CA . 6722 1 357 . 1 1 80 80 THR CB C 13 68.377 0.5 . 1 . . . . 78 THR CB . 6722 1 358 . 1 1 80 80 THR N N 15 114.92 0.5 . 1 . . . . 78 THR N . 6722 1 359 . 1 1 81 81 GLU H H 1 9.09 0.05 . 1 . . . . 79 GLU H . 6722 1 360 . 1 1 81 81 GLU C C 13 177.604 0.5 . 1 . . . . 79 GLU C . 6722 1 361 . 1 1 81 81 GLU CA C 13 58.546 0.5 . 1 . . . . 79 GLU CA . 6722 1 362 . 1 1 81 81 GLU CB C 13 28.359 0.5 . 1 . . . . 79 GLU CB . 6722 1 363 . 1 1 81 81 GLU N N 15 118.986 0.5 . 1 . . . . 79 GLU N . 6722 1 364 . 1 1 82 82 HIS H H 1 7.007 0.05 . 1 . . . . 80 HIS H . 6722 1 365 . 1 1 82 82 HIS C C 13 176.804 0.5 . 1 . . . . 80 HIS C . 6722 1 366 . 1 1 82 82 HIS CA C 13 59.96 0.5 . 1 . . . . 80 HIS CA . 6722 1 367 . 1 1 82 82 HIS CB C 13 30.215 0.5 . 1 . . . . 80 HIS CB . 6722 1 368 . 1 1 82 82 HIS N N 15 118.115 0.5 . 1 . . . . 80 HIS N . 6722 1 369 . 1 1 83 83 LEU H H 1 7.862 0.05 . 1 . . . . 81 LEU H . 6722 1 370 . 1 1 83 83 LEU C C 13 176.172 0.5 . 1 . . . . 81 LEU C . 6722 1 371 . 1 1 83 83 LEU CA C 13 56.166 0.5 . 1 . . . . 81 LEU CA . 6722 1 372 . 1 1 83 83 LEU CB C 13 40.164 0.5 . 1 . . . . 81 LEU CB . 6722 1 373 . 1 1 83 83 LEU N N 15 113.677 0.5 . 1 . . . . 81 LEU N . 6722 1 374 . 1 1 84 84 ALA H H 1 6.934 0.05 . 1 . . . . 82 ALA H . 6722 1 375 . 1 1 84 84 ALA C C 13 176.32 0.5 . 1 . . . . 82 ALA C . 6722 1 376 . 1 1 84 84 ALA CA C 13 50.614 0.5 . 1 . . . . 82 ALA CA . 6722 1 377 . 1 1 84 84 ALA CB C 13 18.502 0.5 . 1 . . . . 82 ALA CB . 6722 1 378 . 1 1 84 84 ALA N N 15 118.687 0.5 . 1 . . . . 82 ALA N . 6722 1 379 . 1 1 85 85 ALA H H 1 7.28 0.05 . 1 . . . . 83 ALA H . 6722 1 380 . 1 1 85 85 ALA C C 13 174.424 0.5 . 1 . . . . 83 ALA C . 6722 1 381 . 1 1 85 85 ALA CA C 13 52.821 0.5 . 1 . . . . 83 ALA CA . 6722 1 382 . 1 1 85 85 ALA CB C 13 16.613 0.5 . 1 . . . . 83 ALA CB . 6722 1 383 . 1 1 85 85 ALA N N 15 122.321 0.5 . 1 . . . . 83 ALA N . 6722 1 384 . 1 1 86 86 ASP H H 1 8.415 0.05 . 1 . . . . 84 ASP H . 6722 1 385 . 1 1 86 86 ASP C C 13 174.74 0.5 . 1 . . . . 84 ASP C . 6722 1 386 . 1 1 86 86 ASP CA C 13 57.17 0.5 . 1 . . . . 84 ASP CA . 6722 1 387 . 1 1 86 86 ASP CB C 13 42.202 0.5 . 1 . . . . 84 ASP CB . 6722 1 388 . 1 1 86 86 ASP N N 15 118.347 0.5 . 1 . . . . 84 ASP N . 6722 1 389 . 1 1 87 87 LEU H H 1 7.258 0.05 . 1 . . . . 85 LEU H . 6722 1 390 . 1 1 87 87 LEU C C 13 171.918 0.5 . 1 . . . . 85 LEU C . 6722 1 391 . 1 1 87 87 LEU CA C 13 54.545 0.5 . 1 . . . . 85 LEU CA . 6722 1 392 . 1 1 87 87 LEU CB C 13 44.573 0.5 . 1 . . . . 85 LEU CB . 6722 1 393 . 1 1 87 87 LEU N N 15 114.832 0.5 . 1 . . . . 85 LEU N . 6722 1 394 . 1 1 88 88 LEU H H 1 8.772 0.05 . 1 . . . . 86 LEU H . 6722 1 395 . 1 1 88 88 LEU C C 13 173.097 0.5 . 1 . . . . 86 LEU C . 6722 1 396 . 1 1 88 88 LEU CA C 13 54.718 0.5 . 1 . . . . 86 LEU CA . 6722 1 397 . 1 1 88 88 LEU CB C 13 41.55 0.5 . 1 . . . . 86 LEU CB . 6722 1 398 . 1 1 88 88 LEU N N 15 127.861 0.5 . 1 . . . . 86 LEU N . 6722 1 399 . 1 1 89 89 VAL H H 1 8.999 0.05 . 1 . . . . 87 VAL H . 6722 1 400 . 1 1 89 89 VAL C C 13 174.74 0.5 . 1 . . . . 87 VAL C . 6722 1 401 . 1 1 89 89 VAL CA C 13 59.477 0.5 . 1 . . . . 87 VAL CA . 6722 1 402 . 1 1 89 89 VAL CB C 13 30.215 0.5 . 1 . . . . 87 VAL CB . 6722 1 403 . 1 1 89 89 VAL N N 15 122.23 0.5 . 1 . . . . 87 VAL N . 6722 1 404 . 1 1 90 90 ALA H H 1 8.577 0.05 . 1 . . . . 88 ALA H . 6722 1 405 . 1 1 90 90 ALA C C 13 176.383 0.5 . 1 . . . . 88 ALA C . 6722 1 406 . 1 1 90 90 ALA CA C 13 50.166 0.5 . 1 . . . . 88 ALA CA . 6722 1 407 . 1 1 90 90 ALA CB C 13 20.108 0.5 . 1 . . . . 88 ALA CB . 6722 1 408 . 1 1 90 90 ALA N N 15 129.516 0.5 . 1 . . . . 88 ALA N . 6722 1 409 . 1 1 91 91 LEU H H 1 8.51 0.05 . 1 . . . . 89 LEU H . 6722 1 410 . 1 1 91 91 LEU CA C 13 54.862 0.5 . 1 . . . . 89 LEU CA . 6722 1 411 . 1 1 91 91 LEU N N 15 128.912 0.5 . 1 . . . . 89 LEU N . 6722 1 412 . 1 1 92 92 ASP C C 13 175.604 0.5 . 1 . . . . 90 ASP C . 6722 1 413 . 1 1 92 92 ASP CA C 13 52.671 0.5 . 1 . . . . 90 ASP CA . 6722 1 414 . 1 1 92 92 ASP CB C 13 42.949 0.5 . 1 . . . . 90 ASP CB . 6722 1 415 . 1 1 93 93 ARG H H 1 8.616 0.05 . 1 . . . . 91 ARG H . 6722 1 416 . 1 1 93 93 ARG C C 13 178.7 0.5 . 1 . . . . 91 ARG C . 6722 1 417 . 1 1 93 93 ARG CA C 13 58.479 0.5 . 1 . . . . 91 ARG CA . 6722 1 418 . 1 1 93 93 ARG CB C 13 29.64 0.5 . 1 . . . . 91 ARG CB . 6722 1 419 . 1 1 93 93 ARG N N 15 116.801 0.5 . 1 . . . . 91 ARG N . 6722 1 420 . 1 1 94 94 ASN H H 1 8.547 0.05 . 1 . . . . 92 ASN H . 6722 1 421 . 1 1 94 94 ASN C C 13 177.499 0.5 . 1 . . . . 92 ASN C . 6722 1 422 . 1 1 94 94 ASN CA C 13 55.614 0.5 . 1 . . . . 92 ASN CA . 6722 1 423 . 1 1 94 94 ASN CB C 13 36.922 0.5 . 1 . . . . 92 ASN CB . 6722 1 424 . 1 1 94 94 ASN N N 15 120.265 0.5 . 1 . . . . 92 ASN N . 6722 1 425 . 1 1 95 95 HIS H H 1 7.41 0.05 . 1 . . . . 93 HIS H . 6722 1 426 . 1 1 95 95 HIS C C 13 176.825 0.5 . 1 . . . . 93 HIS C . 6722 1 427 . 1 1 95 95 HIS CA C 13 59.132 0.5 . 1 . . . . 93 HIS CA . 6722 1 428 . 1 1 95 95 HIS CB C 13 30.782 0.5 . 1 . . . . 93 HIS CB . 6722 1 429 . 1 1 95 95 HIS N N 15 120.632 0.5 . 1 . . . . 93 HIS N . 6722 1 430 . 1 1 96 96 ALA H H 1 7.185 0.05 . 1 . . . . 94 ALA H . 6722 1 431 . 1 1 96 96 ALA C C 13 177.625 0.5 . 1 . . . . 94 ALA C . 6722 1 432 . 1 1 96 96 ALA CA C 13 54.994 0.5 . 1 . . . . 94 ALA CA . 6722 1 433 . 1 1 96 96 ALA CB C 13 17.369 0.5 . 1 . . . . 94 ALA CB . 6722 1 434 . 1 1 96 96 ALA N N 15 118.063 0.5 . 1 . . . . 94 ALA N . 6722 1 435 . 1 1 97 97 ARG H H 1 7.596 0.05 . 1 . . . . 95 ARG H . 6722 1 436 . 1 1 97 97 ARG C C 13 178.615 0.5 . 1 . . . . 95 ARG C . 6722 1 437 . 1 1 97 97 ARG CA C 13 59.029 0.5 . 1 . . . . 95 ARG CA . 6722 1 438 . 1 1 97 97 ARG CB C 13 29.459 0.5 . 1 . . . . 95 ARG CB . 6722 1 439 . 1 1 97 97 ARG N N 15 116.886 0.5 . 1 . . . . 95 ARG N . 6722 1 440 . 1 1 98 98 LEU H H 1 8.004 0.05 . 1 . . . . 96 LEU H . 6722 1 441 . 1 1 98 98 LEU CA C 13 57.408 0.5 . 1 . . . . 96 LEU CA . 6722 1 442 . 1 1 98 98 LEU CB C 13 40.795 0.5 . 1 . . . . 96 LEU CB . 6722 1 443 . 1 1 98 98 LEU N N 15 120.367 0.5 . 1 . . . . 96 LEU N . 6722 1 444 . 1 1 100 100 ARG C C 13 180.995 0.5 . 1 . . . . 98 ARG C . 6722 1 445 . 1 1 100 100 ARG CA C 13 58.035 0.5 . 1 . . . . 98 ARG CA . 6722 1 446 . 1 1 100 100 ARG CB C 13 29.806 0.5 . 1 . . . . 98 ARG CB . 6722 1 447 . 1 1 101 101 GLN H H 1 8.023 0.05 . 1 . . . . 99 GLN H . 6722 1 448 . 1 1 101 101 GLN C C 13 177.499 0.5 . 1 . . . . 99 GLN C . 6722 1 449 . 1 1 101 101 GLN CA C 13 58.132 0.5 . 1 . . . . 99 GLN CA . 6722 1 450 . 1 1 101 101 GLN CB C 13 27.665 0.5 . 1 . . . . 99 GLN CB . 6722 1 451 . 1 1 101 101 GLN N N 15 121.048 0.5 . 1 . . . . 99 GLN N . 6722 1 452 . 1 1 102 102 LEU H H 1 7.754 0.05 . 1 . . . . 100 LEU H . 6722 1 453 . 1 1 102 102 LEU C C 13 176.551 0.5 . 1 . . . . 100 LEU C . 6722 1 454 . 1 1 102 102 LEU CA C 13 54.959 0.5 . 1 . . . . 100 LEU CA . 6722 1 455 . 1 1 102 102 LEU CB C 13 41.834 0.5 . 1 . . . . 100 LEU CB . 6722 1 456 . 1 1 102 102 LEU N N 15 118.714 0.5 . 1 . . . . 100 LEU N . 6722 1 457 . 1 1 103 103 GLY H H 1 7.702 0.05 . 1 . . . . 101 GLY H . 6722 1 458 . 1 1 103 103 GLY C C 13 173.666 0.5 . 1 . . . . 101 GLY C . 6722 1 459 . 1 1 103 103 GLY CA C 13 44.478 0.5 . 1 . . . . 101 GLY CA . 6722 1 460 . 1 1 103 103 GLY N N 15 105.501 0.5 . 1 . . . . 101 GLY N . 6722 1 461 . 1 1 104 104 VAL H H 1 7.494 0.05 . 1 . . . . 102 VAL H . 6722 1 462 . 1 1 104 104 VAL C C 13 174.719 0.5 . 1 . . . . 102 VAL C . 6722 1 463 . 1 1 104 104 VAL CA C 13 63.167 0.5 . 1 . . . . 102 VAL CA . 6722 1 464 . 1 1 104 104 VAL CB C 13 30.876 0.5 . 1 . . . . 102 VAL CB . 6722 1 465 . 1 1 104 104 VAL N N 15 122.074 0.5 . 1 . . . . 102 VAL N . 6722 1 466 . 1 1 105 105 GLU H H 1 9.215 0.05 . 1 . . . . 103 GLU H . 6722 1 467 . 1 1 105 105 GLU C C 13 176.067 0.5 . 1 . . . . 103 GLU C . 6722 1 468 . 1 1 105 105 GLU CA C 13 56.339 0.5 . 1 . . . . 103 GLU CA . 6722 1 469 . 1 1 105 105 GLU CB C 13 28.231 0.5 . 1 . . . . 103 GLU CB . 6722 1 470 . 1 1 105 105 GLU N N 15 128.767 0.5 . 1 . . . . 103 GLU N . 6722 1 471 . 1 1 106 106 ALA H H 1 8.488 0.05 . 1 . . . . 104 ALA H . 6722 1 472 . 1 1 106 106 ALA C C 13 179.331 0.5 . 1 . . . . 104 ALA C . 6722 1 473 . 1 1 106 106 ALA CA C 13 55.132 0.5 . 1 . . . . 104 ALA CA . 6722 1 474 . 1 1 106 106 ALA CB C 13 17.558 0.5 . 1 . . . . 104 ALA CB . 6722 1 475 . 1 1 106 106 ALA N N 15 124.098 0.5 . 1 . . . . 104 ALA N . 6722 1 476 . 1 1 107 107 ALA H H 1 8.266 0.05 . 1 . . . . 105 ALA H . 6722 1 477 . 1 1 107 107 ALA C C 13 178.026 0.5 . 1 . . . . 105 ALA C . 6722 1 478 . 1 1 107 107 ALA CA C 13 53.511 0.5 . 1 . . . . 105 ALA CA . 6722 1 479 . 1 1 107 107 ALA CB C 13 18.53 0.5 . 1 . . . . 105 ALA CB . 6722 1 480 . 1 1 107 107 ALA N N 15 114.763 0.5 . 1 . . . . 105 ALA N . 6722 1 481 . 1 1 108 108 ARG H H 1 7.739 0.05 . 1 . . . . 106 ARG H . 6722 1 482 . 1 1 108 108 ARG C C 13 172.297 0.5 . 1 . . . . 106 ARG C . 6722 1 483 . 1 1 108 108 ARG CA C 13 55.994 0.5 . 1 . . . . 106 ARG CA . 6722 1 484 . 1 1 108 108 ARG CB C 13 31.726 0.5 . 1 . . . . 106 ARG CB . 6722 1 485 . 1 1 108 108 ARG N N 15 114.852 0.5 . 1 . . . . 106 ARG N . 6722 1 486 . 1 1 109 109 VAL H H 1 7.279 0.05 . 1 . . . . 107 VAL H . 6722 1 487 . 1 1 109 109 VAL C C 13 174.909 0.5 . 1 . . . . 107 VAL C . 6722 1 488 . 1 1 109 109 VAL CA C 13 60.201 0.5 . 1 . . . . 107 VAL CA . 6722 1 489 . 1 1 109 109 VAL CB C 13 32.954 0.5 . 1 . . . . 107 VAL CB . 6722 1 490 . 1 1 109 109 VAL N N 15 117.929 0.5 . 1 . . . . 107 VAL N . 6722 1 491 . 1 1 110 110 ARG H H 1 8.387 0.05 . 1 . . . . 108 ARG H . 6722 1 492 . 1 1 110 110 ARG C C 13 175.14 0.5 . 1 . . . . 108 ARG C . 6722 1 493 . 1 1 110 110 ARG CA C 13 51.2 0.5 . 1 . . . . 108 ARG CA . 6722 1 494 . 1 1 110 110 ARG CB C 13 34.371 0.5 . 1 . . . . 108 ARG CB . 6722 1 495 . 1 1 110 110 ARG N N 15 123.864 0.5 . 1 . . . . 108 ARG N . 6722 1 496 . 1 1 111 111 MET H H 1 8.926 0.05 . 1 . . . . 109 MET H . 6722 1 497 . 1 1 111 111 MET C C 13 179.1 0.5 . 1 . . . . 109 MET C . 6722 1 498 . 1 1 111 111 MET CA C 13 53.438 0.5 . 1 . . . . 109 MET CA . 6722 1 499 . 1 1 111 111 MET CB C 13 30.121 0.5 . 1 . . . . 109 MET CB . 6722 1 500 . 1 1 111 111 MET N N 15 119.669 0.5 . 1 . . . . 109 MET N . 6722 1 501 . 1 1 112 112 LEU H H 1 9.175 0.05 . 1 . . . . 110 LEU H . 6722 1 502 . 1 1 112 112 LEU C C 13 177.394 0.5 . 1 . . . . 110 LEU C . 6722 1 503 . 1 1 112 112 LEU CA C 13 59.003 0.5 . 1 . . . . 110 LEU CA . 6722 1 504 . 1 1 112 112 LEU CB C 13 40.133 0.5 . 1 . . . . 110 LEU CB . 6722 1 505 . 1 1 112 112 LEU N N 15 128.19 0.5 . 1 . . . . 110 LEU N . 6722 1 506 . 1 1 113 113 ARG H H 1 8.92 0.05 . 1 . . . . 111 ARG H . 6722 1 507 . 1 1 113 113 ARG C C 13 177.078 0.5 . 1 . . . . 111 ARG C . 6722 1 508 . 1 1 113 113 ARG CA C 13 59.442 0.5 . 1 . . . . 111 ARG CA . 6722 1 509 . 1 1 113 113 ARG CB C 13 27.854 0.5 . 1 . . . . 111 ARG CB . 6722 1 510 . 1 1 113 113 ARG N N 15 111.506 0.5 . 1 . . . . 111 ARG N . 6722 1 511 . 1 1 114 114 SER H H 1 7.651 0.05 . 1 . . . . 112 SER H . 6722 1 512 . 1 1 114 114 SER C C 13 174.15 0.5 . 1 . . . . 112 SER C . 6722 1 513 . 1 1 114 114 SER CA C 13 60.537 0.5 . 1 . . . . 112 SER CA . 6722 1 514 . 1 1 114 114 SER CB C 13 62.898 0.5 . 1 . . . . 112 SER CB . 6722 1 515 . 1 1 114 114 SER N N 15 114.579 0.5 . 1 . . . . 112 SER N . 6722 1 516 . 1 1 115 115 PHE H H 1 7.583 0.05 . 1 . . . . 113 PHE H . 6722 1 517 . 1 1 115 115 PHE C C 13 174.656 0.5 . 1 . . . . 113 PHE C . 6722 1 518 . 1 1 115 115 PHE CA C 13 59.373 0.5 . 1 . . . . 113 PHE CA . 6722 1 519 . 1 1 115 115 PHE CB C 13 39.189 0.5 . 1 . . . . 113 PHE CB . 6722 1 520 . 1 1 115 115 PHE N N 15 118.962 0.5 . 1 . . . . 113 PHE N . 6722 1 521 . 1 1 116 116 ASP H H 1 7.403 0.05 . 1 . . . . 114 ASP H . 6722 1 522 . 1 1 116 116 ASP CA C 13 50.579 0.5 . 1 . . . . 114 ASP CA . 6722 1 523 . 1 1 116 116 ASP CB C 13 41.928 0.5 . 1 . . . . 114 ASP CB . 6722 1 524 . 1 1 116 116 ASP N N 15 120.909 0.5 . 1 . . . . 114 ASP N . 6722 1 525 . 1 1 117 117 PRO C C 13 177.331 0.5 . 1 . . . . 115 PRO C . 6722 1 526 . 1 1 117 117 PRO CA C 13 63.926 0.5 . 1 . . . . 115 PRO CA . 6722 1 527 . 1 1 117 117 PRO CB C 13 31.529 0.5 . 1 . . . . 115 PRO CB . 6722 1 528 . 1 1 118 118 ARG H H 1 8.594 0.05 . 1 . . . . 116 ARG H . 6722 1 529 . 1 1 118 118 ARG C C 13 176.783 0.5 . 1 . . . . 116 ARG C . 6722 1 530 . 1 1 118 118 ARG CA C 13 55.856 0.5 . 1 . . . . 116 ARG CA . 6722 1 531 . 1 1 118 118 ARG CB C 13 29.347 0.5 . 1 . . . . 116 ARG CB . 6722 1 532 . 1 1 118 118 ARG N N 15 117.61 0.5 . 1 . . . . 116 ARG N . 6722 1 533 . 1 1 119 119 SER H H 1 7.96 0.05 . 1 . . . . 117 SER H . 6722 1 534 . 1 1 119 119 SER CA C 13 59.408 0.5 . 1 . . . . 117 SER CA . 6722 1 535 . 1 1 119 119 SER CB C 13 63.276 0.5 . 1 . . . . 117 SER CB . 6722 1 536 . 1 1 119 119 SER N N 15 115.864 0.5 . 1 . . . . 117 SER N . 6722 1 537 . 1 1 120 120 GLY H H 1 8.203 0.05 . 1 . . . . 118 GLY H . 6722 1 538 . 1 1 120 120 GLY CA C 13 44.718 0.5 . 1 . . . . 118 GLY CA . 6722 1 539 . 1 1 120 120 GLY N N 15 110.142 0.5 . 1 . . . . 118 GLY N . 6722 1 540 . 1 1 121 121 THR H H 1 8.248 0.05 . 1 . . . . 119 THR H . 6722 1 541 . 1 1 121 121 THR C C 13 173.898 0.5 . 1 . . . . 119 THR C . 6722 1 542 . 1 1 121 121 THR CA C 13 62.925 0.5 . 1 . . . . 119 THR CA . 6722 1 543 . 1 1 121 121 THR N N 15 113.042 0.5 . 1 . . . . 119 THR N . 6722 1 544 . 1 1 122 122 HIS H H 1 7.945 0.05 . 1 . . . . 120 HIS H . 6722 1 545 . 1 1 122 122 HIS C C 13 174.298 0.5 . 1 . . . . 120 HIS C . 6722 1 546 . 1 1 122 122 HIS CA C 13 55.27 0.5 . 1 . . . . 120 HIS CA . 6722 1 547 . 1 1 122 122 HIS CB C 13 30.215 0.5 . 1 . . . . 120 HIS CB . 6722 1 548 . 1 1 122 122 HIS N N 15 119.086 0.5 . 1 . . . . 120 HIS N . 6722 1 549 . 1 1 123 123 ALA H H 1 8.005 0.05 . 1 . . . . 121 ALA H . 6722 1 550 . 1 1 123 123 ALA C C 13 175.519 0.5 . 1 . . . . 121 ALA C . 6722 1 551 . 1 1 123 123 ALA CA C 13 50.993 0.5 . 1 . . . . 121 ALA CA . 6722 1 552 . 1 1 123 123 ALA N N 15 125.653 0.5 . 1 . . . . 121 ALA N . 6722 1 553 . 1 1 124 124 LEU H H 1 7.85 0.05 . 1 . . . . 122 LEU H . 6722 1 554 . 1 1 124 124 LEU C C 13 175.772 0.5 . 1 . . . . 122 LEU C . 6722 1 555 . 1 1 124 124 LEU CA C 13 53.856 0.5 . 1 . . . . 122 LEU CA . 6722 1 556 . 1 1 124 124 LEU CB C 13 43.062 0.5 . 1 . . . . 122 LEU CB . 6722 1 557 . 1 1 124 124 LEU N N 15 119.644 0.5 . 1 . . . . 122 LEU N . 6722 1 558 . 1 1 125 125 ASP H H 1 8.307 0.05 . 1 . . . . 123 ASP H . 6722 1 559 . 1 1 125 125 ASP C C 13 176.699 0.5 . 1 . . . . 123 ASP C . 6722 1 560 . 1 1 125 125 ASP CA C 13 54.787 0.5 . 1 . . . . 123 ASP CA . 6722 1 561 . 1 1 125 125 ASP CB C 13 41.928 0.5 . 1 . . . . 123 ASP CB . 6722 1 562 . 1 1 125 125 ASP N N 15 118.837 0.5 . 1 . . . . 123 ASP N . 6722 1 563 . 1 1 126 126 VAL H H 1 7.861 0.05 . 1 . . . . 124 VAL H . 6722 1 564 . 1 1 126 126 VAL C C 13 174.593 0.5 . 1 . . . . 124 VAL C . 6722 1 565 . 1 1 126 126 VAL CA C 13 61.886 0.5 . 1 . . . . 124 VAL CA . 6722 1 566 . 1 1 126 126 VAL CB C 13 30.233 0.5 . 1 . . . . 124 VAL CB . 6722 1 567 . 1 1 126 126 VAL N N 15 121.62 0.5 . 1 . . . . 124 VAL N . 6722 1 568 . 1 1 127 127 GLU H H 1 9.199 0.05 . 1 . . . . 125 GLU H . 6722 1 569 . 1 1 127 127 GLU C C 13 175.435 0.5 . 1 . . . . 125 GLU C . 6722 1 570 . 1 1 127 127 GLU CA C 13 56.477 0.5 . 1 . . . . 125 GLU CA . 6722 1 571 . 1 1 127 127 GLU CB C 13 29.15 0.5 . 1 . . . . 125 GLU CB . 6722 1 572 . 1 1 127 127 GLU N N 15 129.477 0.5 . 1 . . . . 125 GLU N . 6722 1 573 . 1 1 128 128 ASP H H 1 8.689 0.05 . 1 . . . . 126 ASP H . 6722 1 574 . 1 1 128 128 ASP CA C 13 51.166 0.5 . 1 . . . . 126 ASP CA . 6722 1 575 . 1 1 128 128 ASP CB C 13 41.847 0.5 . 1 . . . . 126 ASP CB . 6722 1 576 . 1 1 128 128 ASP N N 15 121.849 0.5 . 1 . . . . 126 ASP N . 6722 1 577 . 1 1 129 129 PRO C C 13 176.383 0.5 . 1 . . . . 127 PRO C . 6722 1 578 . 1 1 129 129 PRO CA C 13 66.581 0.5 . 1 . . . . 127 PRO CA . 6722 1 579 . 1 1 129 129 PRO CB C 13 30.408 0.5 . 1 . . . . 127 PRO CB . 6722 1 580 . 1 1 130 130 TYR H H 1 8.046 0.05 . 1 . . . . 128 TYR H . 6722 1 581 . 1 1 130 130 TYR C C 13 176.572 0.5 . 1 . . . . 128 TYR C . 6722 1 582 . 1 1 130 130 TYR CA C 13 62.201 0.5 . 1 . . . . 128 TYR CA . 6722 1 583 . 1 1 130 130 TYR CB C 13 38.594 0.5 . 1 . . . . 128 TYR CB . 6722 1 584 . 1 1 130 130 TYR N N 15 118.907 0.5 . 1 . . . . 128 TYR N . 6722 1 585 . 1 1 131 131 TYR H H 1 8.66 0.05 . 1 . . . . 129 TYR H . 6722 1 586 . 1 1 131 131 TYR C C 13 174.951 0.5 . 1 . . . . 129 TYR C . 6722 1 587 . 1 1 131 131 TYR CA C 13 57.925 0.5 . 1 . . . . 129 TYR CA . 6722 1 588 . 1 1 131 131 TYR CB C 13 35.989 0.5 . 1 . . . . 129 TYR CB . 6722 1 589 . 1 1 131 131 TYR N N 15 115.992 0.5 . 1 . . . . 129 TYR N . 6722 1 590 . 1 1 132 132 GLY H H 1 8.053 0.05 . 1 . . . . 130 GLY H . 6722 1 591 . 1 1 132 132 GLY C C 13 172.381 0.5 . 1 . . . . 130 GLY C . 6722 1 592 . 1 1 132 132 GLY CA C 13 43.574 0.5 . 1 . . . . 130 GLY CA . 6722 1 593 . 1 1 132 132 GLY N N 15 110.646 0.5 . 1 . . . . 130 GLY N . 6722 1 594 . 1 1 133 133 ASP H H 1 9.305 0.05 . 1 . . . . 131 ASP H . 6722 1 595 . 1 1 133 133 ASP CA C 13 51.442 0.5 . 1 . . . . 131 ASP CA . 6722 1 596 . 1 1 133 133 ASP CB C 13 42.967 0.5 . 1 . . . . 131 ASP CB . 6722 1 597 . 1 1 133 133 ASP N N 15 121.411 0.5 . 1 . . . . 131 ASP N . 6722 1 598 . 1 1 134 134 HIS C C 13 177.331 0.5 . 1 . . . . 132 HIS C . 6722 1 599 . 1 1 134 134 HIS CA C 13 60.994 0.5 . 1 . . . . 132 HIS CA . 6722 1 600 . 1 1 134 134 HIS CB C 13 29.566 0.5 . 1 . . . . 132 HIS CB . 6722 1 601 . 1 1 135 135 SER H H 1 8.398 0.05 . 1 . . . . 133 SER H . 6722 1 602 . 1 1 135 135 SER C C 13 176.72 0.5 . 1 . . . . 133 SER C . 6722 1 603 . 1 1 135 135 SER CA C 13 61.667 0.5 . 1 . . . . 133 SER CA . 6722 1 604 . 1 1 135 135 SER CB C 13 66.672 0.5 . 1 . . . . 133 SER CB . 6722 1 605 . 1 1 135 135 SER N N 15 115.163 0.5 . 1 . . . . 133 SER N . 6722 1 606 . 1 1 136 136 ASP H H 1 7.967 0.05 . 1 . . . . 134 ASP H . 6722 1 607 . 1 1 136 136 ASP C C 13 179.079 0.5 . 1 . . . . 134 ASP C . 6722 1 608 . 1 1 136 136 ASP CA C 13 57.442 0.5 . 1 . . . . 134 ASP CA . 6722 1 609 . 1 1 136 136 ASP CB C 13 40.228 0.5 . 1 . . . . 134 ASP CB . 6722 1 610 . 1 1 136 136 ASP N N 15 123.074 0.5 . 1 . . . . 134 ASP N . 6722 1 611 . 1 1 137 137 PHE H H 1 8.203 0.05 . 1 . . . . 135 PHE H . 6722 1 612 . 1 1 137 137 PHE C C 13 179.037 0.5 . 1 . . . . 135 PHE C . 6722 1 613 . 1 1 137 137 PHE CA C 13 57.511 0.5 . 1 . . . . 135 PHE CA . 6722 1 614 . 1 1 137 137 PHE CB C 13 41.267 0.5 . 1 . . . . 135 PHE CB . 6722 1 615 . 1 1 137 137 PHE N N 15 118.198 0.5 . 1 . . . . 135 PHE N . 6722 1 616 . 1 1 138 138 GLU H H 1 8.042 0.05 . 1 . . . . 136 GLU H . 6722 1 617 . 1 1 138 138 GLU C C 13 180.574 0.5 . 1 . . . . 136 GLU C . 6722 1 618 . 1 1 138 138 GLU CA C 13 59.339 0.5 . 1 . . . . 136 GLU CA . 6722 1 619 . 1 1 138 138 GLU CB C 13 28.893 0.5 . 1 . . . . 136 GLU CB . 6722 1 620 . 1 1 138 138 GLU N N 15 120.642 0.5 . 1 . . . . 136 GLU N . 6722 1 621 . 1 1 139 139 GLU H H 1 8.453 0.05 . 1 . . . . 137 GLU H . 6722 1 622 . 1 1 139 139 GLU CA C 13 57.511 0.5 . 1 . . . . 137 GLU CA . 6722 1 623 . 1 1 139 139 GLU CB C 13 29.932 0.5 . 1 . . . . 137 GLU CB . 6722 1 624 . 1 1 139 139 GLU N N 15 119.319 0.5 . 1 . . . . 137 GLU N . 6722 1 625 . 1 1 141 141 PHE C C 13 175.182 0.5 . 1 . . . . 139 PHE C . 6722 1 626 . 1 1 141 141 PHE CA C 13 62.236 0.5 . 1 . . . . 139 PHE CA . 6722 1 627 . 1 1 141 141 PHE CB C 13 38.456 0.5 . 1 . . . . 139 PHE CB . 6722 1 628 . 1 1 142 142 ALA H H 1 7.968 0.05 . 1 . . . . 140 ALA H . 6722 1 629 . 1 1 142 142 ALA C C 13 180.742 0.5 . 1 . . . . 140 ALA C . 6722 1 630 . 1 1 142 142 ALA CA C 13 54.58 0.5 . 1 . . . . 140 ALA CA . 6722 1 631 . 1 1 142 142 ALA CB C 13 17.651 0.5 . 1 . . . . 140 ALA CB . 6722 1 632 . 1 1 142 142 ALA N N 15 120.659 0.5 . 1 . . . . 140 ALA N . 6722 1 633 . 1 1 143 143 VAL H H 1 8.264 0.05 . 1 . . . . 141 VAL H . 6722 1 634 . 1 1 143 143 VAL C C 13 177.752 0.5 . 1 . . . . 141 VAL C . 6722 1 635 . 1 1 143 143 VAL CA C 13 65.236 0.5 . 1 . . . . 141 VAL CA . 6722 1 636 . 1 1 143 143 VAL CB C 13 30.844 0.5 . 1 . . . . 141 VAL CB . 6722 1 637 . 1 1 143 143 VAL N N 15 118.45 0.5 . 1 . . . . 141 VAL N . 6722 1 638 . 1 1 144 144 ILE H H 1 8.168 0.05 . 1 . . . . 142 ILE H . 6722 1 639 . 1 1 144 144 ILE C C 13 177.541 0.5 . 1 . . . . 142 ILE C . 6722 1 640 . 1 1 144 144 ILE CA C 13 65.629 0.5 . 1 . . . . 142 ILE CA . 6722 1 641 . 1 1 144 144 ILE CB C 13 36.733 0.5 . 1 . . . . 142 ILE CB . 6722 1 642 . 1 1 144 144 ILE N N 15 121.11 0.5 . 1 . . . . 142 ILE N . 6722 1 643 . 1 1 145 145 GLU H H 1 8.61 0.05 . 1 . . . . 143 GLU H . 6722 1 644 . 1 1 145 145 GLU C C 13 178.721 0.5 . 1 . . . . 143 GLU C . 6722 1 645 . 1 1 145 145 GLU CA C 13 59.27 0.5 . 1 . . . . 143 GLU CA . 6722 1 646 . 1 1 145 145 GLU CB C 13 29.082 0.5 . 1 . . . . 143 GLU CB . 6722 1 647 . 1 1 145 145 GLU N N 15 119.231 0.5 . 1 . . . . 143 GLU N . 6722 1 648 . 1 1 146 146 SER H H 1 7.636 0.05 . 1 . . . . 144 SER H . 6722 1 649 . 1 1 146 146 SER C C 13 174.129 0.5 . 1 . . . . 144 SER C . 6722 1 650 . 1 1 146 146 SER CA C 13 60.339 0.5 . 1 . . . . 144 SER CA . 6722 1 651 . 1 1 146 146 SER CB C 13 63.221 0.5 . 1 . . . . 144 SER CB . 6722 1 652 . 1 1 146 146 SER N N 15 110.65 0.5 . 1 . . . . 144 SER N . 6722 1 653 . 1 1 147 147 ALA H H 1 7.476 0.05 . 1 . . . . 145 ALA H . 6722 1 654 . 1 1 147 147 ALA C C 13 176.278 0.5 . 1 . . . . 145 ALA C . 6722 1 655 . 1 1 147 147 ALA CA C 13 52.89 0.5 . 1 . . . . 145 ALA CA . 6722 1 656 . 1 1 147 147 ALA CB C 13 20.202 0.5 . 1 . . . . 145 ALA CB . 6722 1 657 . 1 1 147 147 ALA N N 15 122.815 0.5 . 1 . . . . 145 ALA N . 6722 1 658 . 1 1 148 148 LEU H H 1 7.386 0.05 . 1 . . . . 146 LEU H . 6722 1 659 . 1 1 148 148 LEU CA C 13 58.546 0.5 . 1 . . . . 146 LEU CA . 6722 1 660 . 1 1 148 148 LEU CB C 13 38.835 0.5 . 1 . . . . 146 LEU CB . 6722 1 661 . 1 1 148 148 LEU N N 15 113.765 0.5 . 1 . . . . 146 LEU N . 6722 1 662 . 1 1 149 149 PRO C C 13 178.531 0.5 . 1 . . . . 147 PRO C . 6722 1 663 . 1 1 149 149 PRO CA C 13 67.409 0.5 . 1 . . . . 147 PRO CA . 6722 1 664 . 1 1 149 149 PRO CB C 13 30.228 0.5 . 1 . . . . 147 PRO CB . 6722 1 665 . 1 1 150 150 GLY H H 1 7.929 0.05 . 1 . . . . 148 GLY H . 6722 1 666 . 1 1 150 150 GLY C C 13 176.404 0.5 . 1 . . . . 148 GLY C . 6722 1 667 . 1 1 150 150 GLY CA C 13 46.745 0.5 . 1 . . . . 148 GLY CA . 6722 1 668 . 1 1 150 150 GLY N N 15 102.149 0.5 . 1 . . . . 148 GLY N . 6722 1 669 . 1 1 151 151 LEU H H 1 7.616 0.05 . 1 . . . . 149 LEU H . 6722 1 670 . 1 1 151 151 LEU C C 13 178.847 0.5 . 1 . . . . 149 LEU C . 6722 1 671 . 1 1 151 151 LEU CA C 13 56.787 0.5 . 1 . . . . 149 LEU CA . 6722 1 672 . 1 1 151 151 LEU CB C 13 40.606 0.5 . 1 . . . . 149 LEU CB . 6722 1 673 . 1 1 151 151 LEU N N 15 127.887 0.5 . 1 . . . . 149 LEU N . 6722 1 674 . 1 1 152 152 HIS H H 1 8.413 0.05 . 1 . . . . 150 HIS H . 6722 1 675 . 1 1 152 152 HIS C C 13 177.457 0.5 . 1 . . . . 150 HIS C . 6722 1 676 . 1 1 152 152 HIS CA C 13 61.925 0.5 . 1 . . . . 150 HIS CA . 6722 1 677 . 1 1 152 152 HIS CB C 13 29.837 0.5 . 1 . . . . 150 HIS CB . 6722 1 678 . 1 1 152 152 HIS N N 15 120.422 0.5 . 1 . . . . 150 HIS N . 6722 1 679 . 1 1 153 153 ASP H H 1 7.795 0.05 . 1 . . . . 151 ASP H . 6722 1 680 . 1 1 153 153 ASP C C 13 177.646 0.5 . 1 . . . . 151 ASP C . 6722 1 681 . 1 1 153 153 ASP CA C 13 57.304 0.5 . 1 . . . . 151 ASP CA . 6722 1 682 . 1 1 153 153 ASP CB C 13 39.472 0.5 . 1 . . . . 151 ASP CB . 6722 1 683 . 1 1 153 153 ASP N N 15 117.815 0.5 . 1 . . . . 151 ASP N . 6722 1 684 . 1 1 154 154 TRP H H 1 7.907 0.05 . 1 . . . . 152 TRP H . 6722 1 685 . 1 1 154 154 TRP C C 13 178.236 0.5 . 1 . . . . 152 TRP C . 6722 1 686 . 1 1 154 154 TRP CA C 13 62.183 0.5 . 1 . . . . 152 TRP CA . 6722 1 687 . 1 1 154 154 TRP CB C 13 29.20 0.5 . 1 . . . . 152 TRP CB . 6722 1 688 . 1 1 154 154 TRP N N 15 122.548 0.5 . 1 . . . . 152 TRP N . 6722 1 689 . 1 1 155 155 VAL H H 1 8.587 0.05 . 1 . . . . 153 VAL H . 6722 1 690 . 1 1 155 155 VAL C C 13 176.488 0.5 . 1 . . . . 153 VAL C . 6722 1 691 . 1 1 155 155 VAL CA C 13 66.512 0.5 . 1 . . . . 153 VAL CA . 6722 1 692 . 1 1 155 155 VAL CB C 13 29.069 0.5 . 1 . . . . 153 VAL CB . 6722 1 693 . 1 1 155 155 VAL N N 15 119.24 0.5 . 1 . . . . 153 VAL N . 6722 1 694 . 1 1 156 156 ASP H H 1 8.534 0.05 . 1 . . . . 154 ASP H . 6722 1 695 . 1 1 156 156 ASP C C 13 179.015 0.5 . 1 . . . . 154 ASP C . 6722 1 696 . 1 1 156 156 ASP CA C 13 57.028 0.5 . 1 . . . . 154 ASP CA . 6722 1 697 . 1 1 156 156 ASP CB C 13 39.378 0.5 . 1 . . . . 154 ASP CB . 6722 1 698 . 1 1 156 156 ASP N N 15 120.124 0.5 . 1 . . . . 154 ASP N . 6722 1 699 . 1 1 157 157 GLU H H 1 7.861 0.05 . 1 . . . . 155 GLU H . 6722 1 700 . 1 1 157 157 GLU C C 13 178.026 0.5 . 1 . . . . 155 GLU C . 6722 1 701 . 1 1 157 157 GLU CA C 13 58.684 0.5 . 1 . . . . 155 GLU CA . 6722 1 702 . 1 1 157 157 GLU CB C 13 28.609 0.5 . 1 . . . . 155 GLU CB . 6722 1 703 . 1 1 157 157 GLU N N 15 119.862 0.5 . 1 . . . . 155 GLU N . 6722 1 704 . 1 1 158 158 ARG H H 1 7.641 0.05 . 1 . . . . 156 ARG H . 6722 1 705 . 1 1 158 158 ARG C C 13 178.952 0.5 . 1 . . . . 156 ARG C . 6722 1 706 . 1 1 158 158 ARG CA C 13 56.477 0.5 . 1 . . . . 156 ARG CA . 6722 1 707 . 1 1 158 158 ARG CB C 13 28.326 0.5 . 1 . . . . 156 ARG CB . 6722 1 708 . 1 1 158 158 ARG N N 15 118.951 0.5 . 1 . . . . 156 ARG N . 6722 1 709 . 1 1 159 159 LEU H H 1 8.51 0.05 . 1 . . . . 157 LEU H . 6722 1 710 . 1 1 159 159 LEU C C 13 178.005 0.5 . 1 . . . . 157 LEU C . 6722 1 711 . 1 1 159 159 LEU CA C 13 56.273 0.5 . 1 . . . . 157 LEU CA . 6722 1 712 . 1 1 159 159 LEU CB C 13 41.073 0.5 . 1 . . . . 157 LEU CB . 6722 1 713 . 1 1 159 159 LEU N N 15 118.555 0.5 . 1 . . . . 157 LEU N . 6722 1 714 . 1 1 160 160 ALA H H 1 7.467 0.05 . 1 . . . . 158 ALA H . 6722 1 715 . 1 1 160 160 ALA C C 13 177.689 0.5 . 1 . . . . 158 ALA C . 6722 1 716 . 1 1 160 160 ALA CA C 13 52.752 0.5 . 1 . . . . 158 ALA CA . 6722 1 717 . 1 1 160 160 ALA CB C 13 17.652 0.5 . 1 . . . . 158 ALA CB . 6722 1 718 . 1 1 160 160 ALA N N 15 120.336 0.5 . 1 . . . . 158 ALA N . 6722 1 719 . 1 1 161 161 ARG H H 1 7.598 0.05 . 1 . . . . 159 ARG H . 6722 1 720 . 1 1 161 161 ARG C C 13 175.625 0.5 . 1 . . . . 159 ARG C . 6722 1 721 . 1 1 161 161 ARG CA C 13 56.408 0.5 . 1 . . . . 159 ARG CA . 6722 1 722 . 1 1 161 161 ARG CB C 13 29.743 0.5 . 1 . . . . 159 ARG CB . 6722 1 723 . 1 1 161 161 ARG N N 15 117.599 0.5 . 1 . . . . 159 ARG N . 6722 1 724 . 1 1 162 162 ASN H H 1 8.083 0.05 . 1 . . . . 160 ASN H . 6722 1 725 . 1 1 162 162 ASN C C 13 174.635 0.5 . 1 . . . . 160 ASN C . 6722 1 726 . 1 1 162 162 ASN CA C 13 52.718 0.5 . 1 . . . . 160 ASN CA . 6722 1 727 . 1 1 162 162 ASN CB C 13 38.456 0.5 . 1 . . . . 160 ASN CB . 6722 1 728 . 1 1 162 162 ASN N N 15 118.235 0.5 . 1 . . . . 160 ASN N . 6722 1 729 . 1 1 163 163 GLY H H 1 7.979 0.05 . 1 . . . . 161 GLY H . 6722 1 730 . 1 1 163 163 GLY CA C 13 44.187 0.5 . 1 . . . . 161 GLY CA . 6722 1 731 . 1 1 163 163 GLY N N 15 108.552 0.5 . 1 . . . . 161 GLY N . 6722 1 732 . 1 1 164 164 PRO C C 13 175.814 0.5 . 1 . . . . 162 PRO C . 6722 1 733 . 1 1 164 164 PRO CA C 13 62.908 0.5 . 1 . . . . 162 PRO CA . 6722 1 734 . 1 1 164 164 PRO CB C 13 31.494 0.5 . 1 . . . . 162 PRO CB . 6722 1 735 . 1 1 165 165 SER H H 1 8.01 0.05 . 1 . . . . 163 SER H . 6722 1 736 . 1 1 165 165 SER CA C 13 59.615 0.5 . 1 . . . . 163 SER CA . 6722 1 737 . 1 1 165 165 SER CB C 13 64.504 0.5 . 1 . . . . 163 SER CB . 6722 1 738 . 1 1 165 165 SER N N 15 121.598 0.5 . 1 . . . . 163 SER N . 6722 1 stop_ save_