data_18533 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18533 _Entry.Title ; NMR solution structure of apo-MptpA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-19 _Entry.Accession_date 2012-06-19 _Entry.Last_release_date 2012-08-13 _Entry.Original_release_date 2012-08-13 _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 SOLUTION _Entry.Details 'The apo structure of the low-molecular-weight protein tyrosine phosphatase A (MptpA) from Mycobacterium tuberculosis' _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 Tanja Stehle . . . 18533 2 Sridhar Sreeramulu . . . 18533 3 Frank Loehr . . . 18533 4 Christian Richter . . . 18533 5 Krishna Saxena . . . 18533 6 Hendrik Jonker . R.A. . 18533 7 Harald Schwalbe . . . 18533 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' . 18533 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Low Molecular Weight Tyrosine Phosphatase' . 18533 MptpA . 18533 'Mycobacterium tuberculosis' . 18533 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18533 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 18533 '15N chemical shifts' 159 18533 '1H chemical shifts' 1056 18533 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 . . 2012-08-13 2012-06-19 original author . 18533 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1U2P 'X-ray structure of MPtpA' 18533 PDB 1U2Q 'X-ray structure of MPtpA with glycerol in the active site' 18533 PDB 2LUO 'BMRB Entry Tracking System' 18533 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18533 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The apo-structure of the low-molecular-weight protein tyrosine phosphatase A (MptpA) from Mycobacterium tuberculosis allows for better target-specific drug development ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Tanja Stehle . . . 18533 1 2 Sridhar Sreeramulu . . . 18533 1 3 Frank Loehr . . . 18533 1 4 Christian Richter . . . 18533 1 5 Krishna Saxena . . . 18533 1 6 Hendrik Jonker . R.A. . 18533 1 7 Harald Schwalbe . . . 18533 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18533 _Assembly.ID 1 _Assembly.Name mptpa _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 mptpa 1 $mptpa A . yes native no no . . . 18533 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mptpa _Entity.Sf_category entity _Entity.Sf_framecode mptpa _Entity.Entry_ID 18533 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mptpa _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 ; GMSDPLHVTFVCTGNICRSP MAEKMFAQQLRHRGLGDAVR VTSAGTGNWHVGSCADERAA GVLRAHGYPTDHRAAQVGTE HLAADLLVALDRNHARLLRQ LGVEAARVRMLRSFDPRSGT HALDVEDPYYGDHSDFEEVF AVIESALPGLHDWVDERLAR NGPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal Glycine 0 originates from 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 164 _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 17976.248 _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 yes UniProtKB/Swiss-Prot P65716 . PTPA_MYCTU . . . . . . . . . . . . . . 18533 1 2 no BMRB 19361 . MptpA . . . . . 100.00 164 99.39 99.39 3.97e-114 . . . . 18533 1 3 no BMRB 19388 . MptpA . . . . . 100.00 164 99.39 99.39 3.97e-114 . . . . 18533 1 4 no BMRB 26513 . MptpA . . . . . 100.00 167 99.39 99.39 3.31e-114 . . . . 18533 1 5 no PDB 1U2P . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Protein Tyrosine Phosphatase (Mptpa) At 1.9a Resolution" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 6 no PDB 1U2Q . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (Mptpa) At 2.5a Resolution Wi" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 7 no PDB 2LUO . "Nmr Solution Structure Of Apo-Mptpa" . . . . . 100.00 164 100.00 100.00 6.47e-115 . . . . 18533 1 8 no DBJ BAH26529 . "phosphotyrosine protein phosphatase [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 9 no DBJ BAL66249 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 10 no DBJ BAQ06307 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Kurono]" . . . . . 87.80 144 100.00 100.00 8.55e-98 . . . . 18533 1 11 no DBJ GAA45923 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis NCGM2209]" . . . . . 87.80 144 100.00 100.00 8.55e-98 . . . . 18533 1 12 no EMBL CAL72239 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 13 no EMBL CCC27315 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) [Mycobacterium africanum GM041182]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 14 no EMBL CCC44588 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) [Mycobacterium canettii CIPT" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 15 no EMBL CCC64828 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 16 no EMBL CCE37704 . "ptpA [Mycobacterium tuberculosis UT205]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 17 no GB AAK46577 . "protein tyrosine phosphatase [Mycobacterium tuberculosis CDC1551]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 18 no GB ABQ74015 . "protein tyrosine phosphatase [Mycobacterium tuberculosis H37Ra]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 19 no GB ABR06594 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis F11]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 20 no GB ACT24805 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 1435]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 21 no GB AEB03885 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 4207]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 22 no REF NP_216750 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis H37Rv]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 23 no REF NP_855907 . "phosphotyrosine protein phosphatase PtpA [Mycobacterium bovis AF2122/97]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 24 no REF WP_003411510 . "MULTISPECIES: protein-tyrosine-phosphatase [Mycobacterium]" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 25 no REF WP_003899227 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis]" . . . . . 99.39 163 99.39 99.39 1.81e-113 . . . . 18533 1 26 no REF WP_015288274 . "phosphotyrosine protein phosphatase PtpA [Mycobacterium canettii]" . . . . . 99.39 163 99.39 99.39 3.38e-113 . . . . 18533 1 27 no SP P65717 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 28 no SP P9WIA0 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 29 no SP P9WIA1 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 100.00 100.00 3.19e-114 . . . . 18533 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 18533 1 2 1 MET . 18533 1 3 2 SER . 18533 1 4 3 ASP . 18533 1 5 4 PRO . 18533 1 6 5 LEU . 18533 1 7 6 HIS . 18533 1 8 7 VAL . 18533 1 9 8 THR . 18533 1 10 9 PHE . 18533 1 11 10 VAL . 18533 1 12 11 CYS . 18533 1 13 12 THR . 18533 1 14 13 GLY . 18533 1 15 14 ASN . 18533 1 16 15 ILE . 18533 1 17 16 CYS . 18533 1 18 17 ARG . 18533 1 19 18 SER . 18533 1 20 19 PRO . 18533 1 21 20 MET . 18533 1 22 21 ALA . 18533 1 23 22 GLU . 18533 1 24 23 LYS . 18533 1 25 24 MET . 18533 1 26 25 PHE . 18533 1 27 26 ALA . 18533 1 28 27 GLN . 18533 1 29 28 GLN . 18533 1 30 29 LEU . 18533 1 31 30 ARG . 18533 1 32 31 HIS . 18533 1 33 32 ARG . 18533 1 34 33 GLY . 18533 1 35 34 LEU . 18533 1 36 35 GLY . 18533 1 37 36 ASP . 18533 1 38 37 ALA . 18533 1 39 38 VAL . 18533 1 40 39 ARG . 18533 1 41 40 VAL . 18533 1 42 41 THR . 18533 1 43 42 SER . 18533 1 44 43 ALA . 18533 1 45 44 GLY . 18533 1 46 45 THR . 18533 1 47 46 GLY . 18533 1 48 47 ASN . 18533 1 49 48 TRP . 18533 1 50 49 HIS . 18533 1 51 50 VAL . 18533 1 52 51 GLY . 18533 1 53 52 SER . 18533 1 54 53 CYS . 18533 1 55 54 ALA . 18533 1 56 55 ASP . 18533 1 57 56 GLU . 18533 1 58 57 ARG . 18533 1 59 58 ALA . 18533 1 60 59 ALA . 18533 1 61 60 GLY . 18533 1 62 61 VAL . 18533 1 63 62 LEU . 18533 1 64 63 ARG . 18533 1 65 64 ALA . 18533 1 66 65 HIS . 18533 1 67 66 GLY . 18533 1 68 67 TYR . 18533 1 69 68 PRO . 18533 1 70 69 THR . 18533 1 71 70 ASP . 18533 1 72 71 HIS . 18533 1 73 72 ARG . 18533 1 74 73 ALA . 18533 1 75 74 ALA . 18533 1 76 75 GLN . 18533 1 77 76 VAL . 18533 1 78 77 GLY . 18533 1 79 78 THR . 18533 1 80 79 GLU . 18533 1 81 80 HIS . 18533 1 82 81 LEU . 18533 1 83 82 ALA . 18533 1 84 83 ALA . 18533 1 85 84 ASP . 18533 1 86 85 LEU . 18533 1 87 86 LEU . 18533 1 88 87 VAL . 18533 1 89 88 ALA . 18533 1 90 89 LEU . 18533 1 91 90 ASP . 18533 1 92 91 ARG . 18533 1 93 92 ASN . 18533 1 94 93 HIS . 18533 1 95 94 ALA . 18533 1 96 95 ARG . 18533 1 97 96 LEU . 18533 1 98 97 LEU . 18533 1 99 98 ARG . 18533 1 100 99 GLN . 18533 1 101 100 LEU . 18533 1 102 101 GLY . 18533 1 103 102 VAL . 18533 1 104 103 GLU . 18533 1 105 104 ALA . 18533 1 106 105 ALA . 18533 1 107 106 ARG . 18533 1 108 107 VAL . 18533 1 109 108 ARG . 18533 1 110 109 MET . 18533 1 111 110 LEU . 18533 1 112 111 ARG . 18533 1 113 112 SER . 18533 1 114 113 PHE . 18533 1 115 114 ASP . 18533 1 116 115 PRO . 18533 1 117 116 ARG . 18533 1 118 117 SER . 18533 1 119 118 GLY . 18533 1 120 119 THR . 18533 1 121 120 HIS . 18533 1 122 121 ALA . 18533 1 123 122 LEU . 18533 1 124 123 ASP . 18533 1 125 124 VAL . 18533 1 126 125 GLU . 18533 1 127 126 ASP . 18533 1 128 127 PRO . 18533 1 129 128 TYR . 18533 1 130 129 TYR . 18533 1 131 130 GLY . 18533 1 132 131 ASP . 18533 1 133 132 HIS . 18533 1 134 133 SER . 18533 1 135 134 ASP . 18533 1 136 135 PHE . 18533 1 137 136 GLU . 18533 1 138 137 GLU . 18533 1 139 138 VAL . 18533 1 140 139 PHE . 18533 1 141 140 ALA . 18533 1 142 141 VAL . 18533 1 143 142 ILE . 18533 1 144 143 GLU . 18533 1 145 144 SER . 18533 1 146 145 ALA . 18533 1 147 146 LEU . 18533 1 148 147 PRO . 18533 1 149 148 GLY . 18533 1 150 149 LEU . 18533 1 151 150 HIS . 18533 1 152 151 ASP . 18533 1 153 152 TRP . 18533 1 154 153 VAL . 18533 1 155 154 ASP . 18533 1 156 155 GLU . 18533 1 157 156 ARG . 18533 1 158 157 LEU . 18533 1 159 158 ALA . 18533 1 160 159 ARG . 18533 1 161 160 ASN . 18533 1 162 161 GLY . 18533 1 163 162 PRO . 18533 1 164 163 SER . 18533 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 18533 1 . MET 2 2 18533 1 . SER 3 3 18533 1 . ASP 4 4 18533 1 . PRO 5 5 18533 1 . LEU 6 6 18533 1 . HIS 7 7 18533 1 . VAL 8 8 18533 1 . THR 9 9 18533 1 . PHE 10 10 18533 1 . VAL 11 11 18533 1 . CYS 12 12 18533 1 . THR 13 13 18533 1 . GLY 14 14 18533 1 . ASN 15 15 18533 1 . ILE 16 16 18533 1 . CYS 17 17 18533 1 . ARG 18 18 18533 1 . SER 19 19 18533 1 . PRO 20 20 18533 1 . MET 21 21 18533 1 . ALA 22 22 18533 1 . GLU 23 23 18533 1 . LYS 24 24 18533 1 . MET 25 25 18533 1 . PHE 26 26 18533 1 . ALA 27 27 18533 1 . GLN 28 28 18533 1 . GLN 29 29 18533 1 . LEU 30 30 18533 1 . ARG 31 31 18533 1 . HIS 32 32 18533 1 . ARG 33 33 18533 1 . GLY 34 34 18533 1 . LEU 35 35 18533 1 . GLY 36 36 18533 1 . ASP 37 37 18533 1 . ALA 38 38 18533 1 . VAL 39 39 18533 1 . ARG 40 40 18533 1 . VAL 41 41 18533 1 . THR 42 42 18533 1 . SER 43 43 18533 1 . ALA 44 44 18533 1 . GLY 45 45 18533 1 . THR 46 46 18533 1 . GLY 47 47 18533 1 . ASN 48 48 18533 1 . TRP 49 49 18533 1 . HIS 50 50 18533 1 . VAL 51 51 18533 1 . GLY 52 52 18533 1 . SER 53 53 18533 1 . CYS 54 54 18533 1 . ALA 55 55 18533 1 . ASP 56 56 18533 1 . GLU 57 57 18533 1 . ARG 58 58 18533 1 . ALA 59 59 18533 1 . ALA 60 60 18533 1 . GLY 61 61 18533 1 . VAL 62 62 18533 1 . LEU 63 63 18533 1 . ARG 64 64 18533 1 . ALA 65 65 18533 1 . HIS 66 66 18533 1 . GLY 67 67 18533 1 . TYR 68 68 18533 1 . PRO 69 69 18533 1 . THR 70 70 18533 1 . ASP 71 71 18533 1 . HIS 72 72 18533 1 . ARG 73 73 18533 1 . ALA 74 74 18533 1 . ALA 75 75 18533 1 . GLN 76 76 18533 1 . VAL 77 77 18533 1 . GLY 78 78 18533 1 . THR 79 79 18533 1 . GLU 80 80 18533 1 . HIS 81 81 18533 1 . LEU 82 82 18533 1 . ALA 83 83 18533 1 . ALA 84 84 18533 1 . ASP 85 85 18533 1 . LEU 86 86 18533 1 . LEU 87 87 18533 1 . VAL 88 88 18533 1 . ALA 89 89 18533 1 . LEU 90 90 18533 1 . ASP 91 91 18533 1 . ARG 92 92 18533 1 . ASN 93 93 18533 1 . HIS 94 94 18533 1 . ALA 95 95 18533 1 . ARG 96 96 18533 1 . LEU 97 97 18533 1 . LEU 98 98 18533 1 . ARG 99 99 18533 1 . GLN 100 100 18533 1 . LEU 101 101 18533 1 . GLY 102 102 18533 1 . VAL 103 103 18533 1 . GLU 104 104 18533 1 . ALA 105 105 18533 1 . ALA 106 106 18533 1 . ARG 107 107 18533 1 . VAL 108 108 18533 1 . ARG 109 109 18533 1 . MET 110 110 18533 1 . LEU 111 111 18533 1 . ARG 112 112 18533 1 . SER 113 113 18533 1 . PHE 114 114 18533 1 . ASP 115 115 18533 1 . PRO 116 116 18533 1 . ARG 117 117 18533 1 . SER 118 118 18533 1 . GLY 119 119 18533 1 . THR 120 120 18533 1 . HIS 121 121 18533 1 . ALA 122 122 18533 1 . LEU 123 123 18533 1 . ASP 124 124 18533 1 . VAL 125 125 18533 1 . GLU 126 126 18533 1 . ASP 127 127 18533 1 . PRO 128 128 18533 1 . TYR 129 129 18533 1 . TYR 130 130 18533 1 . GLY 131 131 18533 1 . ASP 132 132 18533 1 . HIS 133 133 18533 1 . SER 134 134 18533 1 . ASP 135 135 18533 1 . PHE 136 136 18533 1 . GLU 137 137 18533 1 . GLU 138 138 18533 1 . VAL 139 139 18533 1 . PHE 140 140 18533 1 . ALA 141 141 18533 1 . VAL 142 142 18533 1 . ILE 143 143 18533 1 . GLU 144 144 18533 1 . SER 145 145 18533 1 . ALA 146 146 18533 1 . LEU 147 147 18533 1 . PRO 148 148 18533 1 . GLY 149 149 18533 1 . LEU 150 150 18533 1 . HIS 151 151 18533 1 . ASP 152 152 18533 1 . TRP 153 153 18533 1 . VAL 154 154 18533 1 . ASP 155 155 18533 1 . GLU 156 156 18533 1 . ARG 157 157 18533 1 . LEU 158 158 18533 1 . ALA 159 159 18533 1 . ARG 160 160 18533 1 . ASN 161 161 18533 1 . GLY 162 162 18533 1 . PRO 163 163 18533 1 . SER 164 164 18533 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 18533 _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 . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18533 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 18533 _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' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pLysS . . . . . . . . . . . . . . pKM263 . . . 'original pET16bTev vector was double NcoI/BlpId digested and cloned into the modified pKM263 (6xHis tag ProtGB1-TEV between Nde1 and Xho1) vector' . . 18533 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 18533 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mptpa '[U-100% 13C; U-100% 15N]' . . 1 $mptpa . . 1.2 . . mM . . . . 18533 1 2 'arginine / glutamine' 'natural abundance' . . . . . . 50 . . mM . . . . 18533 1 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 18533 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18533 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18533 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18533 1 stop_ save_ save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 18533 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mptpa '[U-100% 15N]' . . 1 $mptpa . . 1.0 . . mM . . . . 18533 2 2 'arginine / glutamine' 'natural abundance' . . . . . . 50 . . mM . . . . 18533 2 3 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 18533 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18533 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18533 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18533 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18533 _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 . M 18533 1 pH 7.0 . pH 18533 1 pressure 1 . atm 18533 1 temperature 303 . K 18533 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18533 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18533 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18533 1 processing 18533 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18533 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18533 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18533 2 'data analysis' 18533 2 'peak picking' 18533 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18533 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18533 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18533 3 'data analysis' 18533 3 'peak picking' 18533 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18533 _Software.ID 4 _Software.Name CYANA _Software.Version 3.9 _Software.Details 'development version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18533 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18533 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18533 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18533 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18533 5 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18533 _Software.ID 6 _Software.Name ARIA _Software.Version 1.2 _Software.Details 'development version' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18533 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18533 6 'structure solution' 18533 6 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 18533 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'CryoProbe 1H,13C,15N' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18533 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'CryoProbe 1H,13C,15N' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18533 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'CryoProbe 1H,13C,15N' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18533 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'CryoProbe 1H,13C,15N' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18533 _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 . 950 'CryoProbe 1H,13C,15N' . . 18533 1 2 spectrometer_2 Bruker Avance . 900 'CryoProbe 1H,13C,15N' . . 18533 1 3 spectrometer_3 Bruker Avance . 800 'CryoProbe 1H,13C,15N' . . 18533 1 4 spectrometer_4 Bruker Avance . 600 'CryoProbe 1H,13C,15N' . . 18533 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 18533 _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_15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18533 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 5 '3D (H)C(NC)H' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 6 '3D HCD(CG)CB-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 7 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18533 1 8 '3D (H)CB(CG)CCH-TOCSY' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18533 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18533 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18533 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18533 1 12 '2D (T1,T2,HetNOE) 1H-15N HSQC' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18533 1 13 '2D (IPAP) 1H-15N HSQC' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18533 1 14 '2D (IPAP) 1H-15N HSQC' no . . . . . . . . . . 2 $sample_15N anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18533 1 15 '3D HNHA' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18533 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 18533 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced to TSPSA' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18533 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18533 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18533 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 18533 _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' . . . 18533 1 2 '2D 1H-13C HSQC' . . . 18533 1 3 '3D HNCACB' . . . 18533 1 4 '3D HCCH-TOCSY' . . . 18533 1 5 '3D (H)C(NC)H' . . . 18533 1 6 '3D HCD(CG)CB-TOCSY' . . . 18533 1 7 '3D (H)CC(CO)NH-TOCSY' . . . 18533 1 8 '3D (H)CB(CG)CCH-TOCSY' . . . 18533 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 GLY HA2 H 1 3.92 0.02 . 2 . . . A 0 GLY HA2 . 18533 1 2 . 1 1 1 1 GLY HA3 H 1 3.95 0.02 . 2 . . . A 0 GLY HA3 . 18533 1 3 . 1 1 1 1 GLY H H 1 8.38 0.02 . 1 . . . A 0 GLY H1 . 18533 1 4 . 1 1 1 1 GLY CA C 13 45.42 0.05 . 1 . . . A 0 GLY CA . 18533 1 5 . 1 1 1 1 GLY N N 15 109.96 0.05 . 1 . . . A 0 GLY N . 18533 1 6 . 1 1 2 2 MET H H 1 8.14 0.02 . 1 . . . A 1 MET H . 18533 1 7 . 1 1 2 2 MET HA H 1 4.50 0.02 . 1 . . . A 1 MET HA . 18533 1 8 . 1 1 2 2 MET HB2 H 1 2.09 0.02 . 2 . . . A 1 MET HB2 . 18533 1 9 . 1 1 2 2 MET HB3 H 1 1.98 0.02 . 2 . . . A 1 MET HB3 . 18533 1 10 . 1 1 2 2 MET HG2 H 1 2.51 0.02 . 2 . . . A 1 MET HG2 . 18533 1 11 . 1 1 2 2 MET HG3 H 1 2.58 0.02 . 2 . . . A 1 MET HG3 . 18533 1 12 . 1 1 2 2 MET CA C 13 55.45 0.05 . 1 . . . A 1 MET CA . 18533 1 13 . 1 1 2 2 MET CB C 13 33.17 0.05 . 1 . . . A 1 MET CB . 18533 1 14 . 1 1 2 2 MET CG C 13 32.10 0.05 . 1 . . . A 1 MET CG . 18533 1 15 . 1 1 2 2 MET N N 15 119.85 0.05 . 1 . . . A 1 MET N . 18533 1 16 . 1 1 3 3 SER H H 1 8.34 0.02 . 1 . . . A 2 SER H . 18533 1 17 . 1 1 3 3 SER HA H 1 4.43 0.02 . 1 . . . A 2 SER HA . 18533 1 18 . 1 1 3 3 SER HB2 H 1 3.81 0.02 . 2 . . . A 2 SER HB2 . 18533 1 19 . 1 1 3 3 SER HB3 H 1 3.81 0.02 . 2 . . . A 2 SER HB3 . 18533 1 20 . 1 1 3 3 SER CA C 13 58.32 0.05 . 1 . . . A 2 SER CA . 18533 1 21 . 1 1 3 3 SER CB C 13 63.99 0.05 . 1 . . . A 2 SER CB . 18533 1 22 . 1 1 3 3 SER N N 15 117.00 0.05 . 1 . . . A 2 SER N . 18533 1 23 . 1 1 4 4 ASP H H 1 8.26 0.02 . 1 . . . A 3 ASP H . 18533 1 24 . 1 1 4 4 ASP HA H 1 4.86 0.02 . 1 . . . A 3 ASP HA . 18533 1 25 . 1 1 4 4 ASP HB2 H 1 2.66 0.02 . 2 . . . A 3 ASP HB2 . 18533 1 26 . 1 1 4 4 ASP HB3 H 1 2.44 0.02 . 2 . . . A 3 ASP HB3 . 18533 1 27 . 1 1 4 4 ASP CA C 13 52.88 0.05 . 1 . . . A 3 ASP CA . 18533 1 28 . 1 1 4 4 ASP CB C 13 40.80 0.05 . 1 . . . A 3 ASP CB . 18533 1 29 . 1 1 4 4 ASP N N 15 123.20 0.05 . 1 . . . A 3 ASP N . 18533 1 30 . 1 1 5 5 PRO HA H 1 4.40 0.02 . 1 . . . A 4 PRO HA . 18533 1 31 . 1 1 5 5 PRO HB2 H 1 2.04 0.02 . 2 . . . A 4 PRO HB2 . 18533 1 32 . 1 1 5 5 PRO HB3 H 1 1.67 0.02 . 2 . . . A 4 PRO HB3 . 18533 1 33 . 1 1 5 5 PRO HG2 H 1 1.95 0.02 . 2 . . . A 4 PRO HG2 . 18533 1 34 . 1 1 5 5 PRO HG3 H 1 1.79 0.02 . 2 . . . A 4 PRO HG3 . 18533 1 35 . 1 1 5 5 PRO HD2 H 1 3.73 0.02 . 2 . . . A 4 PRO HD2 . 18533 1 36 . 1 1 5 5 PRO HD3 H 1 3.63 0.02 . 2 . . . A 4 PRO HD3 . 18533 1 37 . 1 1 5 5 PRO CA C 13 62.82 0.05 . 1 . . . A 4 PRO CA . 18533 1 38 . 1 1 5 5 PRO CB C 13 31.91 0.05 . 1 . . . A 4 PRO CB . 18533 1 39 . 1 1 5 5 PRO CG C 13 27.19 0.05 . 1 . . . A 4 PRO CG . 18533 1 40 . 1 1 5 5 PRO CD C 13 50.45 0.05 . 1 . . . A 4 PRO CD . 18533 1 41 . 1 1 6 6 LEU H H 1 7.67 0.02 . 1 . . . A 5 LEU H . 18533 1 42 . 1 1 6 6 LEU HA H 1 4.39 0.02 . 1 . . . A 5 LEU HA . 18533 1 43 . 1 1 6 6 LEU HB2 H 1 1.73 0.02 . 2 . . . A 5 LEU HB2 . 18533 1 44 . 1 1 6 6 LEU HB3 H 1 1.76 0.02 . 2 . . . A 5 LEU HB3 . 18533 1 45 . 1 1 6 6 LEU HD11 H 1 0.95 0.02 . 2 . . . A 5 LEU HD11 . 18533 1 46 . 1 1 6 6 LEU HD12 H 1 0.95 0.02 . 2 . . . A 5 LEU HD12 . 18533 1 47 . 1 1 6 6 LEU HD13 H 1 0.95 0.02 . 2 . . . A 5 LEU HD13 . 18533 1 48 . 1 1 6 6 LEU HD21 H 1 0.96 0.02 . 2 . . . A 5 LEU HD21 . 18533 1 49 . 1 1 6 6 LEU HD22 H 1 0.96 0.02 . 2 . . . A 5 LEU HD22 . 18533 1 50 . 1 1 6 6 LEU HD23 H 1 0.96 0.02 . 2 . . . A 5 LEU HD23 . 18533 1 51 . 1 1 6 6 LEU CA C 13 55.28 0.05 . 1 . . . A 5 LEU CA . 18533 1 52 . 1 1 6 6 LEU CB C 13 44.35 0.05 . 1 . . . A 5 LEU CB . 18533 1 53 . 1 1 6 6 LEU CD1 C 13 25.39 0.05 . 1 . . . A 5 LEU CD1 . 18533 1 54 . 1 1 6 6 LEU CD2 C 13 25.65 0.05 . 1 . . . A 5 LEU CD2 . 18533 1 55 . 1 1 6 6 LEU N N 15 123.16 0.05 . 1 . . . A 5 LEU N . 18533 1 56 . 1 1 7 7 HIS H H 1 10.08 0.02 . 1 . . . A 6 HIS H . 18533 1 57 . 1 1 7 7 HIS HA H 1 6.03 0.02 . 1 . . . A 6 HIS HA . 18533 1 58 . 1 1 7 7 HIS HB2 H 1 3.19 0.02 . 2 . . . A 6 HIS HB2 . 18533 1 59 . 1 1 7 7 HIS HB3 H 1 2.96 0.02 . 2 . . . A 6 HIS HB3 . 18533 1 60 . 1 1 7 7 HIS HD2 H 1 6.86 0.02 . 1 . . . A 6 HIS HD2 . 18533 1 61 . 1 1 7 7 HIS HE1 H 1 7.72 0.02 . 1 . . . A 6 HIS HE1 . 18533 1 62 . 1 1 7 7 HIS CA C 13 52.90 0.05 . 1 . . . A 6 HIS CA . 18533 1 63 . 1 1 7 7 HIS CB C 13 32.13 0.05 . 1 . . . A 6 HIS CB . 18533 1 64 . 1 1 7 7 HIS CD2 C 13 119.73 0.05 . 1 . . . A 6 HIS CD2 . 18533 1 65 . 1 1 7 7 HIS CE1 C 13 138.51 0.05 . 1 . . . A 6 HIS CE1 . 18533 1 66 . 1 1 7 7 HIS N N 15 127.16 0.05 . 1 . . . A 6 HIS N . 18533 1 67 . 1 1 8 8 VAL H H 1 8.93 0.02 . 1 . . . A 7 VAL H . 18533 1 68 . 1 1 8 8 VAL HA H 1 4.50 0.02 . 1 . . . A 7 VAL HA . 18533 1 69 . 1 1 8 8 VAL HB H 1 1.74 0.02 . 1 . . . A 7 VAL HB . 18533 1 70 . 1 1 8 8 VAL HG11 H 1 0.78 0.02 . 2 . . . A 7 VAL HG11 . 18533 1 71 . 1 1 8 8 VAL HG12 H 1 0.78 0.02 . 2 . . . A 7 VAL HG12 . 18533 1 72 . 1 1 8 8 VAL HG13 H 1 0.78 0.02 . 2 . . . A 7 VAL HG13 . 18533 1 73 . 1 1 8 8 VAL HG21 H 1 0.19 0.02 . 2 . . . A 7 VAL HG21 . 18533 1 74 . 1 1 8 8 VAL HG22 H 1 0.19 0.02 . 2 . . . A 7 VAL HG22 . 18533 1 75 . 1 1 8 8 VAL HG23 H 1 0.19 0.02 . 2 . . . A 7 VAL HG23 . 18533 1 76 . 1 1 8 8 VAL CA C 13 60.80 0.05 . 1 . . . A 7 VAL CA . 18533 1 77 . 1 1 8 8 VAL CB C 13 34.80 0.05 . 1 . . . A 7 VAL CB . 18533 1 78 . 1 1 8 8 VAL CG1 C 13 20.98 0.05 . 1 . . . A 7 VAL CG1 . 18533 1 79 . 1 1 8 8 VAL CG2 C 13 20.63 0.05 . 1 . . . A 7 VAL CG2 . 18533 1 80 . 1 1 8 8 VAL N N 15 128.62 0.05 . 1 . . . A 7 VAL N . 18533 1 81 . 1 1 9 9 THR H H 1 7.97 0.02 . 1 . . . A 8 THR H . 18533 1 82 . 1 1 9 9 THR HA H 1 5.27 0.02 . 1 . . . A 8 THR HA . 18533 1 83 . 1 1 9 9 THR HB H 1 3.32 0.02 . 1 . . . A 8 THR HB . 18533 1 84 . 1 1 9 9 THR HG21 H 1 0.84 0.02 . 1 . . . A 8 THR HG21 . 18533 1 85 . 1 1 9 9 THR HG22 H 1 0.84 0.02 . 1 . . . A 8 THR HG22 . 18533 1 86 . 1 1 9 9 THR HG23 H 1 0.84 0.02 . 1 . . . A 8 THR HG23 . 18533 1 87 . 1 1 9 9 THR CA C 13 58.52 0.05 . 1 . . . A 8 THR CA . 18533 1 88 . 1 1 9 9 THR CB C 13 70.75 0.05 . 1 . . . A 8 THR CB . 18533 1 89 . 1 1 9 9 THR CG2 C 13 21.36 0.05 . 1 . . . A 8 THR CG2 . 18533 1 90 . 1 1 9 9 THR N N 15 121.53 0.05 . 1 . . . A 8 THR N . 18533 1 91 . 1 1 10 10 PHE H H 1 8.18 0.02 . 1 . . . A 9 PHE H . 18533 1 92 . 1 1 10 10 PHE HA H 1 5.21 0.02 . 1 . . . A 9 PHE HA . 18533 1 93 . 1 1 10 10 PHE HB2 H 1 2.76 0.02 . 2 . . . A 9 PHE HB2 . 18533 1 94 . 1 1 10 10 PHE HB3 H 1 2.58 0.02 . 2 . . . A 9 PHE HB3 . 18533 1 95 . 1 1 10 10 PHE HD1 H 1 6.92 0.02 . 3 . . . A 9 PHE HD1 . 18533 1 96 . 1 1 10 10 PHE HD2 H 1 6.92 0.02 . 3 . . . A 9 PHE HD2 . 18533 1 97 . 1 1 10 10 PHE HE1 H 1 6.94 0.02 . 3 . . . A 9 PHE HE1 . 18533 1 98 . 1 1 10 10 PHE HE2 H 1 6.94 0.02 . 3 . . . A 9 PHE HE2 . 18533 1 99 . 1 1 10 10 PHE HZ H 1 7.10 0.02 . 1 . . . A 9 PHE HZ . 18533 1 100 . 1 1 10 10 PHE CA C 13 56.31 0.05 . 1 . . . A 9 PHE CA . 18533 1 101 . 1 1 10 10 PHE CB C 13 42.83 0.05 . 1 . . . A 9 PHE CB . 18533 1 102 . 1 1 10 10 PHE CD1 C 13 131.54 0.05 . 3 . . . A 9 PHE CD1 . 18533 1 103 . 1 1 10 10 PHE CD2 C 13 131.54 0.05 . 3 . . . A 9 PHE CD2 . 18533 1 104 . 1 1 10 10 PHE CE1 C 13 131.59 0.05 . 3 . . . A 9 PHE CE1 . 18533 1 105 . 1 1 10 10 PHE CE2 C 13 131.59 0.05 . 3 . . . A 9 PHE CE2 . 18533 1 106 . 1 1 10 10 PHE CZ C 13 129.53 0.05 . 1 . . . A 9 PHE CZ . 18533 1 107 . 1 1 10 10 PHE N N 15 125.36 0.05 . 1 . . . A 9 PHE N . 18533 1 108 . 1 1 11 11 VAL H H 1 8.71 0.02 . 1 . . . A 10 VAL H . 18533 1 109 . 1 1 11 11 VAL HA H 1 5.36 0.02 . 1 . . . A 10 VAL HA . 18533 1 110 . 1 1 11 11 VAL HB H 1 1.55 0.02 . 1 . . . A 10 VAL HB . 18533 1 111 . 1 1 11 11 VAL HG11 H 1 0.77 0.02 . 2 . . . A 10 VAL HG11 . 18533 1 112 . 1 1 11 11 VAL HG12 H 1 0.77 0.02 . 2 . . . A 10 VAL HG12 . 18533 1 113 . 1 1 11 11 VAL HG13 H 1 0.77 0.02 . 2 . . . A 10 VAL HG13 . 18533 1 114 . 1 1 11 11 VAL HG21 H 1 0.61 0.02 . 2 . . . A 10 VAL HG21 . 18533 1 115 . 1 1 11 11 VAL HG22 H 1 0.61 0.02 . 2 . . . A 10 VAL HG22 . 18533 1 116 . 1 1 11 11 VAL HG23 H 1 0.61 0.02 . 2 . . . A 10 VAL HG23 . 18533 1 117 . 1 1 11 11 VAL CA C 13 60.42 0.05 . 1 . . . A 10 VAL CA . 18533 1 118 . 1 1 11 11 VAL CB C 13 35.55 0.05 . 1 . . . A 10 VAL CB . 18533 1 119 . 1 1 11 11 VAL CG1 C 13 21.62 0.05 . 1 . . . A 10 VAL CG1 . 18533 1 120 . 1 1 11 11 VAL CG2 C 13 20.70 0.05 . 1 . . . A 10 VAL CG2 . 18533 1 121 . 1 1 11 11 VAL N N 15 121.12 0.05 . 1 . . . A 10 VAL N . 18533 1 122 . 1 1 12 12 CYS H H 1 7.94 0.02 . 1 . . . A 11 CYS H . 18533 1 123 . 1 1 12 12 CYS HA H 1 3.26 0.02 . 1 . . . A 11 CYS HA . 18533 1 124 . 1 1 12 12 CYS HB2 H 1 3.06 0.02 . 2 . . . A 11 CYS HB2 . 18533 1 125 . 1 1 12 12 CYS HB3 H 1 2.76 0.02 . 2 . . . A 11 CYS HB3 . 18533 1 126 . 1 1 12 12 CYS CA C 13 57.63 0.05 . 1 . . . A 11 CYS CA . 18533 1 127 . 1 1 12 12 CYS CB C 13 30.35 0.05 . 1 . . . A 11 CYS CB . 18533 1 128 . 1 1 12 12 CYS N N 15 123.27 0.05 . 1 . . . A 11 CYS N . 18533 1 129 . 1 1 13 13 THR HA H 1 5.01 0.02 . 1 . . . A 12 THR HA . 18533 1 130 . 1 1 13 13 THR HB H 1 4.53 0.02 . 1 . . . A 12 THR HB . 18533 1 131 . 1 1 13 13 THR HG21 H 1 1.53 0.02 . 1 . . . A 12 THR HG21 . 18533 1 132 . 1 1 13 13 THR HG22 H 1 1.53 0.02 . 1 . . . A 12 THR HG22 . 18533 1 133 . 1 1 13 13 THR HG23 H 1 1.53 0.02 . 1 . . . A 12 THR HG23 . 18533 1 134 . 1 1 13 13 THR CA C 13 64.87 0.05 . 1 . . . A 12 THR CA . 18533 1 135 . 1 1 13 13 THR CB C 13 69.18 0.05 . 1 . . . A 12 THR CB . 18533 1 136 . 1 1 13 13 THR CG2 C 13 23.36 0.05 . 1 . . . A 12 THR CG2 . 18533 1 137 . 1 1 14 14 GLY HA2 H 1 5.04 0.02 . 2 . . . A 13 GLY HA2 . 18533 1 138 . 1 1 14 14 GLY HA3 H 1 3.58 0.02 . 2 . . . A 13 GLY HA3 . 18533 1 139 . 1 1 14 14 GLY CA C 13 44.96 0.05 . 1 . . . A 13 GLY CA . 18533 1 140 . 1 1 15 15 ASN H H 1 9.28 0.02 . 1 . . . A 14 ASN H . 18533 1 141 . 1 1 15 15 ASN HA H 1 3.93 0.02 . 1 . . . A 14 ASN HA . 18533 1 142 . 1 1 15 15 ASN HB2 H 1 3.28 0.02 . 2 . . . A 14 ASN HB2 . 18533 1 143 . 1 1 15 15 ASN HB3 H 1 2.25 0.02 . 2 . . . A 14 ASN HB3 . 18533 1 144 . 1 1 15 15 ASN CA C 13 54.87 0.05 . 1 . . . A 14 ASN CA . 18533 1 145 . 1 1 15 15 ASN CB C 13 40.67 0.05 . 1 . . . A 14 ASN CB . 18533 1 146 . 1 1 15 15 ASN N N 15 119.96 0.05 . 1 . . . A 14 ASN N . 18533 1 147 . 1 1 16 16 ILE H H 1 7.10 0.02 . 1 . . . A 15 ILE H . 18533 1 148 . 1 1 16 16 ILE HA H 1 4.68 0.02 . 1 . . . A 15 ILE HA . 18533 1 149 . 1 1 16 16 ILE HB H 1 1.92 0.02 . 1 . . . A 15 ILE HB . 18533 1 150 . 1 1 16 16 ILE HG12 H 1 1.66 0.02 . 2 . . . A 15 ILE HG12 . 18533 1 151 . 1 1 16 16 ILE HG13 H 1 0.47 0.02 . 2 . . . A 15 ILE HG13 . 18533 1 152 . 1 1 16 16 ILE HG21 H 1 0.86 0.02 . 1 . . . A 15 ILE HG21 . 18533 1 153 . 1 1 16 16 ILE HG22 H 1 0.86 0.02 . 1 . . . A 15 ILE HG22 . 18533 1 154 . 1 1 16 16 ILE HG23 H 1 0.86 0.02 . 1 . . . A 15 ILE HG23 . 18533 1 155 . 1 1 16 16 ILE HD11 H 1 0.31 0.02 . 1 . . . A 15 ILE HD11 . 18533 1 156 . 1 1 16 16 ILE HD12 H 1 0.31 0.02 . 1 . . . A 15 ILE HD12 . 18533 1 157 . 1 1 16 16 ILE HD13 H 1 0.31 0.02 . 1 . . . A 15 ILE HD13 . 18533 1 158 . 1 1 16 16 ILE CA C 13 62.79 0.05 . 1 . . . A 15 ILE CA . 18533 1 159 . 1 1 16 16 ILE CB C 13 42.14 0.05 . 1 . . . A 15 ILE CB . 18533 1 160 . 1 1 16 16 ILE CG1 C 13 26.58 0.05 . 1 . . . A 15 ILE CG1 . 18533 1 161 . 1 1 16 16 ILE CG2 C 13 19.67 0.05 . 1 . . . A 15 ILE CG2 . 18533 1 162 . 1 1 16 16 ILE CD1 C 13 14.15 0.05 . 1 . . . A 15 ILE CD1 . 18533 1 163 . 1 1 16 16 ILE N N 15 101.06 0.05 . 1 . . . A 15 ILE N . 18533 1 164 . 1 1 17 17 CYS H H 1 7.70 0.02 . 1 . . . A 16 CYS H . 18533 1 165 . 1 1 17 17 CYS HA H 1 4.94 0.02 . 1 . . . A 16 CYS HA . 18533 1 166 . 1 1 17 17 CYS HB2 H 1 4.11 0.02 . 2 . . . A 16 CYS HB2 . 18533 1 167 . 1 1 17 17 CYS HB3 H 1 2.72 0.02 . 2 . . . A 16 CYS HB3 . 18533 1 168 . 1 1 17 17 CYS CA C 13 60.06 0.05 . 1 . . . A 16 CYS CA . 18533 1 169 . 1 1 17 17 CYS CB C 13 28.95 0.05 . 1 . . . A 16 CYS CB . 18533 1 170 . 1 1 17 17 CYS N N 15 116.02 0.05 . 1 . . . A 16 CYS N . 18533 1 171 . 1 1 19 19 SER H H 1 11.42 0.02 . 1 . . . A 18 SER H . 18533 1 172 . 1 1 19 19 SER HA H 1 3.81 0.02 . 1 . . . A 18 SER HA . 18533 1 173 . 1 1 19 19 SER HB2 H 1 3.75 0.02 . 2 . . . A 18 SER HB2 . 18533 1 174 . 1 1 19 19 SER HB3 H 1 3.75 0.02 . 2 . . . A 18 SER HB3 . 18533 1 175 . 1 1 19 19 SER CA C 13 62.71 0.05 . 1 . . . A 18 SER CA . 18533 1 176 . 1 1 19 19 SER CB C 13 64.86 0.05 . 1 . . . A 18 SER CB . 18533 1 177 . 1 1 19 19 SER N N 15 122.34 0.05 . 1 . . . A 18 SER N . 18533 1 178 . 1 1 20 20 PRO HA H 1 3.97 0.02 . 1 . . . A 19 PRO HA . 18533 1 179 . 1 1 20 20 PRO HB2 H 1 0.66 0.02 . 2 . . . A 19 PRO HB2 . 18533 1 180 . 1 1 20 20 PRO HB3 H 1 0.36 0.02 . 2 . . . A 19 PRO HB3 . 18533 1 181 . 1 1 20 20 PRO HG2 H 1 1.02 0.02 . 2 . . . A 19 PRO HG2 . 18533 1 182 . 1 1 20 20 PRO HG3 H 1 1.00 0.02 . 2 . . . A 19 PRO HG3 . 18533 1 183 . 1 1 20 20 PRO HD2 H 1 3.30 0.02 . 2 . . . A 19 PRO HD2 . 18533 1 184 . 1 1 20 20 PRO HD3 H 1 3.37 0.02 . 2 . . . A 19 PRO HD3 . 18533 1 185 . 1 1 20 20 PRO CA C 13 65.03 0.05 . 1 . . . A 19 PRO CA . 18533 1 186 . 1 1 20 20 PRO CB C 13 28.69 0.05 . 1 . . . A 19 PRO CB . 18533 1 187 . 1 1 20 20 PRO CG C 13 27.98 0.05 . 1 . . . A 19 PRO CG . 18533 1 188 . 1 1 20 20 PRO CD C 13 49.95 0.05 . 1 . . . A 19 PRO CD . 18533 1 189 . 1 1 21 21 MET H H 1 6.31 0.02 . 1 . . . A 20 MET H . 18533 1 190 . 1 1 21 21 MET HA H 1 3.73 0.02 . 1 . . . A 20 MET HA . 18533 1 191 . 1 1 21 21 MET HB2 H 1 2.07 0.02 . 2 . . . A 20 MET HB2 . 18533 1 192 . 1 1 21 21 MET HB3 H 1 1.93 0.02 . 2 . . . A 20 MET HB3 . 18533 1 193 . 1 1 21 21 MET HG2 H 1 2.96 0.02 . 2 . . . A 20 MET HG2 . 18533 1 194 . 1 1 21 21 MET HG3 H 1 2.08 0.02 . 2 . . . A 20 MET HG3 . 18533 1 195 . 1 1 21 21 MET HE1 H 1 2.26 0.02 . 1 . . . A 20 MET HE1 . 18533 1 196 . 1 1 21 21 MET HE2 H 1 2.26 0.02 . 1 . . . A 20 MET HE2 . 18533 1 197 . 1 1 21 21 MET HE3 H 1 2.26 0.02 . 1 . . . A 20 MET HE3 . 18533 1 198 . 1 1 21 21 MET CA C 13 60.16 0.05 . 1 . . . A 20 MET CA . 18533 1 199 . 1 1 21 21 MET CB C 13 33.04 0.05 . 1 . . . A 20 MET CB . 18533 1 200 . 1 1 21 21 MET CG C 13 32.72 0.05 . 1 . . . A 20 MET CG . 18533 1 201 . 1 1 21 21 MET CE C 13 16.73 0.05 . 1 . . . A 20 MET CE . 18533 1 202 . 1 1 21 21 MET N N 15 112.43 0.05 . 1 . . . A 20 MET N . 18533 1 203 . 1 1 22 22 ALA H H 1 6.55 0.02 . 1 . . . A 21 ALA H . 18533 1 204 . 1 1 22 22 ALA HA H 1 3.40 0.02 . 1 . . . A 21 ALA HA . 18533 1 205 . 1 1 22 22 ALA HB1 H 1 0.14 0.02 . 1 . . . A 21 ALA HB1 . 18533 1 206 . 1 1 22 22 ALA HB2 H 1 0.14 0.02 . 1 . . . A 21 ALA HB2 . 18533 1 207 . 1 1 22 22 ALA HB3 H 1 0.14 0.02 . 1 . . . A 21 ALA HB3 . 18533 1 208 . 1 1 22 22 ALA CA C 13 54.99 0.05 . 1 . . . A 21 ALA CA . 18533 1 209 . 1 1 22 22 ALA CB C 13 16.49 0.05 . 1 . . . A 21 ALA CB . 18533 1 210 . 1 1 22 22 ALA N N 15 117.80 0.05 . 1 . . . A 21 ALA N . 18533 1 211 . 1 1 23 23 GLU H H 1 7.80 0.02 . 1 . . . A 22 GLU H . 18533 1 212 . 1 1 23 23 GLU HA H 1 3.68 0.02 . 1 . . . A 22 GLU HA . 18533 1 213 . 1 1 23 23 GLU HB2 H 1 2.09 0.02 . 2 . . . A 22 GLU HB2 . 18533 1 214 . 1 1 23 23 GLU HB3 H 1 2.01 0.02 . 2 . . . A 22 GLU HB3 . 18533 1 215 . 1 1 23 23 GLU HG2 H 1 2.24 0.02 . 2 . . . A 22 GLU HG2 . 18533 1 216 . 1 1 23 23 GLU HG3 H 1 2.24 0.02 . 2 . . . A 22 GLU HG3 . 18533 1 217 . 1 1 23 23 GLU CA C 13 59.55 0.05 . 1 . . . A 22 GLU CA . 18533 1 218 . 1 1 23 23 GLU CB C 13 29.79 0.05 . 1 . . . A 22 GLU CB . 18533 1 219 . 1 1 23 23 GLU CG C 13 34.89 0.05 . 1 . . . A 22 GLU CG . 18533 1 220 . 1 1 23 23 GLU N N 15 115.52 0.05 . 1 . . . A 22 GLU N . 18533 1 221 . 1 1 24 24 LYS H H 1 8.04 0.02 . 1 . . . A 23 LYS H . 18533 1 222 . 1 1 24 24 LYS HA H 1 4.00 0.02 . 1 . . . A 23 LYS HA . 18533 1 223 . 1 1 24 24 LYS HB2 H 1 1.95 0.02 . 2 . . . A 23 LYS HB2 . 18533 1 224 . 1 1 24 24 LYS HB3 H 1 1.74 0.02 . 2 . . . A 23 LYS HB3 . 18533 1 225 . 1 1 24 24 LYS HG2 H 1 1.67 0.02 . 2 . . . A 23 LYS HG2 . 18533 1 226 . 1 1 24 24 LYS HG3 H 1 1.46 0.02 . 2 . . . A 23 LYS HG3 . 18533 1 227 . 1 1 24 24 LYS HD2 H 1 1.51 0.02 . 2 . . . A 23 LYS HD2 . 18533 1 228 . 1 1 24 24 LYS HD3 H 1 1.43 0.02 . 2 . . . A 23 LYS HD3 . 18533 1 229 . 1 1 24 24 LYS HE2 H 1 2.59 0.02 . 2 . . . A 23 LYS HE2 . 18533 1 230 . 1 1 24 24 LYS HE3 H 1 2.55 0.02 . 2 . . . A 23 LYS HE3 . 18533 1 231 . 1 1 24 24 LYS CA C 13 57.76 0.05 . 1 . . . A 23 LYS CA . 18533 1 232 . 1 1 24 24 LYS CB C 13 30.80 0.05 . 1 . . . A 23 LYS CB . 18533 1 233 . 1 1 24 24 LYS CG C 13 23.59 0.05 . 1 . . . A 23 LYS CG . 18533 1 234 . 1 1 24 24 LYS CD C 13 25.76 0.05 . 1 . . . A 23 LYS CD . 18533 1 235 . 1 1 24 24 LYS CE C 13 43.07 0.05 . 1 . . . A 23 LYS CE . 18533 1 236 . 1 1 24 24 LYS N N 15 114.22 0.05 . 1 . . . A 23 LYS N . 18533 1 237 . 1 1 25 25 MET H H 1 7.61 0.02 . 1 . . . A 24 MET H . 18533 1 238 . 1 1 25 25 MET HA H 1 3.95 0.02 . 1 . . . A 24 MET HA . 18533 1 239 . 1 1 25 25 MET HB2 H 1 1.47 0.02 . 2 . . . A 24 MET HB2 . 18533 1 240 . 1 1 25 25 MET HB3 H 1 1.47 0.02 . 2 . . . A 24 MET HB3 . 18533 1 241 . 1 1 25 25 MET HG2 H 1 1.93 0.02 . 2 . . . A 24 MET HG2 . 18533 1 242 . 1 1 25 25 MET HG3 H 1 0.53 0.02 . 2 . . . A 24 MET HG3 . 18533 1 243 . 1 1 25 25 MET HE1 H 1 0.96 0.02 . 1 . . . A 24 MET HE1 . 18533 1 244 . 1 1 25 25 MET HE2 H 1 0.96 0.02 . 1 . . . A 24 MET HE2 . 18533 1 245 . 1 1 25 25 MET HE3 H 1 0.96 0.02 . 1 . . . A 24 MET HE3 . 18533 1 246 . 1 1 25 25 MET CA C 13 57.98 0.05 . 1 . . . A 24 MET CA . 18533 1 247 . 1 1 25 25 MET CB C 13 35.50 0.05 . 1 . . . A 24 MET CB . 18533 1 248 . 1 1 25 25 MET CG C 13 30.71 0.05 . 1 . . . A 24 MET CG . 18533 1 249 . 1 1 25 25 MET CE C 13 15.95 0.05 . 1 . . . A 24 MET CE . 18533 1 250 . 1 1 25 25 MET N N 15 115.25 0.05 . 1 . . . A 24 MET N . 18533 1 251 . 1 1 26 26 PHE H H 1 8.56 0.02 . 1 . . . A 25 PHE H . 18533 1 252 . 1 1 26 26 PHE HA H 1 4.34 0.02 . 1 . . . A 25 PHE HA . 18533 1 253 . 1 1 26 26 PHE HB2 H 1 3.18 0.02 . 2 . . . A 25 PHE HB2 . 18533 1 254 . 1 1 26 26 PHE HB3 H 1 2.99 0.02 . 2 . . . A 25 PHE HB3 . 18533 1 255 . 1 1 26 26 PHE HD1 H 1 7.05 0.02 . 3 . . . A 25 PHE HD1 . 18533 1 256 . 1 1 26 26 PHE HD2 H 1 7.05 0.02 . 3 . . . A 25 PHE HD2 . 18533 1 257 . 1 1 26 26 PHE HE1 H 1 6.86 0.02 . 3 . . . A 25 PHE HE1 . 18533 1 258 . 1 1 26 26 PHE HE2 H 1 6.86 0.02 . 3 . . . A 25 PHE HE2 . 18533 1 259 . 1 1 26 26 PHE HZ H 1 6.17 0.02 . 1 . . . A 25 PHE HZ . 18533 1 260 . 1 1 26 26 PHE CA C 13 60.03 0.05 . 1 . . . A 25 PHE CA . 18533 1 261 . 1 1 26 26 PHE CB C 13 39.46 0.05 . 1 . . . A 25 PHE CB . 18533 1 262 . 1 1 26 26 PHE CD1 C 13 130.87 0.05 . 3 . . . A 25 PHE CD1 . 18533 1 263 . 1 1 26 26 PHE CD2 C 13 130.87 0.05 . 3 . . . A 25 PHE CD2 . 18533 1 264 . 1 1 26 26 PHE CE1 C 13 129.74 0.05 . 3 . . . A 25 PHE CE1 . 18533 1 265 . 1 1 26 26 PHE CE2 C 13 129.74 0.05 . 3 . . . A 25 PHE CE2 . 18533 1 266 . 1 1 26 26 PHE CZ C 13 128.39 0.05 . 1 . . . A 25 PHE CZ . 18533 1 267 . 1 1 26 26 PHE N N 15 119.09 0.05 . 1 . . . A 25 PHE N . 18533 1 268 . 1 1 27 27 ALA H H 1 8.80 0.02 . 1 . . . A 26 ALA H . 18533 1 269 . 1 1 27 27 ALA HA H 1 3.93 0.02 . 1 . . . A 26 ALA HA . 18533 1 270 . 1 1 27 27 ALA HB1 H 1 1.61 0.02 . 1 . . . A 26 ALA HB1 . 18533 1 271 . 1 1 27 27 ALA HB2 H 1 1.61 0.02 . 1 . . . A 26 ALA HB2 . 18533 1 272 . 1 1 27 27 ALA HB3 H 1 1.61 0.02 . 1 . . . A 26 ALA HB3 . 18533 1 273 . 1 1 27 27 ALA CA C 13 56.06 0.05 . 1 . . . A 26 ALA CA . 18533 1 274 . 1 1 27 27 ALA CB C 13 18.41 0.05 . 1 . . . A 26 ALA CB . 18533 1 275 . 1 1 27 27 ALA N N 15 117.83 0.05 . 1 . . . A 26 ALA N . 18533 1 276 . 1 1 28 28 GLN H H 1 7.69 0.02 . 1 . . . A 27 GLN H . 18533 1 277 . 1 1 28 28 GLN HA H 1 4.05 0.02 . 1 . . . A 27 GLN HA . 18533 1 278 . 1 1 28 28 GLN HB2 H 1 2.38 0.02 . 2 . . . A 27 GLN HB2 . 18533 1 279 . 1 1 28 28 GLN HB3 H 1 2.38 0.02 . 2 . . . A 27 GLN HB3 . 18533 1 280 . 1 1 28 28 GLN HG2 H 1 1.98 0.02 . 2 . . . A 27 GLN HG2 . 18533 1 281 . 1 1 28 28 GLN HG3 H 1 2.15 0.02 . 2 . . . A 27 GLN HG3 . 18533 1 282 . 1 1 28 28 GLN HE21 H 1 7.26 0.02 . 2 . . . A 27 GLN HE21 . 18533 1 283 . 1 1 28 28 GLN HE22 H 1 6.72 0.02 . 2 . . . A 27 GLN HE22 . 18533 1 284 . 1 1 28 28 GLN CA C 13 59.61 0.05 . 1 . . . A 27 GLN CA . 18533 1 285 . 1 1 28 28 GLN CB C 13 28.45 0.05 . 1 . . . A 27 GLN CB . 18533 1 286 . 1 1 28 28 GLN CG C 13 33.62 0.05 . 1 . . . A 27 GLN CG . 18533 1 287 . 1 1 28 28 GLN N N 15 117.55 0.05 . 1 . . . A 27 GLN N . 18533 1 288 . 1 1 28 28 GLN NE2 N 15 112.97 0.05 . 1 . . . A 27 GLN NE2 . 18533 1 289 . 1 1 29 29 GLN H H 1 8.21 0.02 . 1 . . . A 28 GLN H . 18533 1 290 . 1 1 29 29 GLN HA H 1 4.14 0.02 . 1 . . . A 28 GLN HA . 18533 1 291 . 1 1 29 29 GLN HB2 H 1 2.40 0.02 . 2 . . . A 28 GLN HB2 . 18533 1 292 . 1 1 29 29 GLN HB3 H 1 2.32 0.02 . 2 . . . A 28 GLN HB3 . 18533 1 293 . 1 1 29 29 GLN HG2 H 1 3.38 0.02 . 2 . . . A 28 GLN HG2 . 18533 1 294 . 1 1 29 29 GLN HG3 H 1 2.84 0.02 . 2 . . . A 28 GLN HG3 . 18533 1 295 . 1 1 29 29 GLN HE21 H 1 7.17 0.02 . 2 . . . A 28 GLN HE21 . 18533 1 296 . 1 1 29 29 GLN HE22 H 1 7.02 0.02 . 2 . . . A 28 GLN HE22 . 18533 1 297 . 1 1 29 29 GLN CA C 13 59.18 0.05 . 1 . . . A 28 GLN CA . 18533 1 298 . 1 1 29 29 GLN CB C 13 28.11 0.05 . 1 . . . A 28 GLN CB . 18533 1 299 . 1 1 29 29 GLN CG C 13 33.92 0.05 . 1 . . . A 28 GLN CG . 18533 1 300 . 1 1 29 29 GLN N N 15 117.53 0.05 . 1 . . . A 28 GLN N . 18533 1 301 . 1 1 29 29 GLN NE2 N 15 106.50 0.05 . 1 . . . A 28 GLN NE2 . 18533 1 302 . 1 1 30 30 LEU H H 1 8.54 0.02 . 1 . . . A 29 LEU H . 18533 1 303 . 1 1 30 30 LEU HA H 1 3.93 0.02 . 1 . . . A 29 LEU HA . 18533 1 304 . 1 1 30 30 LEU HB2 H 1 1.84 0.02 . 2 . . . A 29 LEU HB2 . 18533 1 305 . 1 1 30 30 LEU HB3 H 1 0.90 0.02 . 2 . . . A 29 LEU HB3 . 18533 1 306 . 1 1 30 30 LEU HG H 1 0.11 0.02 . 1 . . . A 29 LEU HG . 18533 1 307 . 1 1 30 30 LEU HD11 H 1 0.67 0.02 . 2 . . . A 29 LEU HD11 . 18533 1 308 . 1 1 30 30 LEU HD12 H 1 0.67 0.02 . 2 . . . A 29 LEU HD12 . 18533 1 309 . 1 1 30 30 LEU HD13 H 1 0.67 0.02 . 2 . . . A 29 LEU HD13 . 18533 1 310 . 1 1 30 30 LEU HD21 H 1 0.67 0.02 . 2 . . . A 29 LEU HD21 . 18533 1 311 . 1 1 30 30 LEU HD22 H 1 0.67 0.02 . 2 . . . A 29 LEU HD22 . 18533 1 312 . 1 1 30 30 LEU HD23 H 1 0.67 0.02 . 2 . . . A 29 LEU HD23 . 18533 1 313 . 1 1 30 30 LEU CA C 13 58.08 0.05 . 1 . . . A 29 LEU CA . 18533 1 314 . 1 1 30 30 LEU CB C 13 41.90 0.05 . 1 . . . A 29 LEU CB . 18533 1 315 . 1 1 30 30 LEU CG C 13 26.76 0.05 . 1 . . . A 29 LEU CG . 18533 1 316 . 1 1 30 30 LEU CD1 C 13 23.56 0.05 . 2 . . . A 29 LEU CD1 . 18533 1 317 . 1 1 30 30 LEU CD2 C 13 23.56 0.05 . 2 . . . A 29 LEU CD2 . 18533 1 318 . 1 1 30 30 LEU N N 15 119.33 0.05 . 1 . . . A 29 LEU N . 18533 1 319 . 1 1 31 31 ARG H H 1 8.05 0.02 . 1 . . . A 30 ARG H . 18533 1 320 . 1 1 31 31 ARG HA H 1 3.97 0.02 . 1 . . . A 30 ARG HA . 18533 1 321 . 1 1 31 31 ARG HB2 H 1 2.07 0.02 . 2 . . . A 30 ARG HB2 . 18533 1 322 . 1 1 31 31 ARG HB3 H 1 2.00 0.02 . 2 . . . A 30 ARG HB3 . 18533 1 323 . 1 1 31 31 ARG HG2 H 1 1.87 0.02 . 2 . . . A 30 ARG HG2 . 18533 1 324 . 1 1 31 31 ARG HG3 H 1 1.59 0.02 . 2 . . . A 30 ARG HG3 . 18533 1 325 . 1 1 31 31 ARG HD2 H 1 3.31 0.02 . 2 . . . A 30 ARG HD2 . 18533 1 326 . 1 1 31 31 ARG HD3 H 1 3.21 0.02 . 2 . . . A 30 ARG HD3 . 18533 1 327 . 1 1 31 31 ARG CA C 13 59.79 0.05 . 1 . . . A 30 ARG CA . 18533 1 328 . 1 1 31 31 ARG CB C 13 29.52 0.05 . 1 . . . A 30 ARG CB . 18533 1 329 . 1 1 31 31 ARG CG C 13 28.20 0.05 . 1 . . . A 30 ARG CG . 18533 1 330 . 1 1 31 31 ARG CD C 13 43.51 0.05 . 1 . . . A 30 ARG CD . 18533 1 331 . 1 1 31 31 ARG N N 15 120.88 0.05 . 1 . . . A 30 ARG N . 18533 1 332 . 1 1 32 32 HIS H H 1 8.44 0.02 . 1 . . . A 31 HIS H . 18533 1 333 . 1 1 32 32 HIS HA H 1 4.55 0.02 . 1 . . . A 31 HIS HA . 18533 1 334 . 1 1 32 32 HIS HB2 H 1 3.25 0.02 . 2 . . . A 31 HIS HB2 . 18533 1 335 . 1 1 32 32 HIS HB3 H 1 3.25 0.02 . 2 . . . A 31 HIS HB3 . 18533 1 336 . 1 1 32 32 HIS HD2 H 1 6.93 0.02 . 1 . . . A 31 HIS HD2 . 18533 1 337 . 1 1 32 32 HIS CA C 13 58.08 0.05 . 1 . . . A 31 HIS CA . 18533 1 338 . 1 1 32 32 HIS CB C 13 30.71 0.05 . 1 . . . A 31 HIS CB . 18533 1 339 . 1 1 32 32 HIS CD2 C 13 118.55 0.05 . 1 . . . A 31 HIS CD2 . 18533 1 340 . 1 1 32 32 HIS N N 15 119.77 0.05 . 1 . . . A 31 HIS N . 18533 1 341 . 1 1 33 33 ARG H H 1 7.50 0.02 . 1 . . . A 32 ARG H . 18533 1 342 . 1 1 33 33 ARG HA H 1 4.59 0.02 . 1 . . . A 32 ARG HA . 18533 1 343 . 1 1 33 33 ARG HB2 H 1 1.94 0.02 . 2 . . . A 32 ARG HB2 . 18533 1 344 . 1 1 33 33 ARG HB3 H 1 1.94 0.02 . 2 . . . A 32 ARG HB3 . 18533 1 345 . 1 1 33 33 ARG HG2 H 1 1.85 0.02 . 2 . . . A 32 ARG HG2 . 18533 1 346 . 1 1 33 33 ARG HG3 H 1 1.85 0.02 . 2 . . . A 32 ARG HG3 . 18533 1 347 . 1 1 33 33 ARG HD2 H 1 3.03 0.02 . 2 . . . A 32 ARG HD2 . 18533 1 348 . 1 1 33 33 ARG HD3 H 1 2.91 0.02 . 2 . . . A 32 ARG HD3 . 18533 1 349 . 1 1 33 33 ARG CA C 13 55.97 0.05 . 1 . . . A 32 ARG CA . 18533 1 350 . 1 1 33 33 ARG CB C 13 31.22 0.05 . 1 . . . A 32 ARG CB . 18533 1 351 . 1 1 33 33 ARG CG C 13 27.46 0.05 . 1 . . . A 32 ARG CG . 18533 1 352 . 1 1 33 33 ARG CD C 13 44.55 0.05 . 1 . . . A 32 ARG CD . 18533 1 353 . 1 1 33 33 ARG N N 15 115.43 0.05 . 1 . . . A 32 ARG N . 18533 1 354 . 1 1 34 34 GLY H H 1 7.75 0.02 . 1 . . . A 33 GLY H . 18533 1 355 . 1 1 34 34 GLY HA2 H 1 4.24 0.02 . 2 . . . A 33 GLY HA2 . 18533 1 356 . 1 1 34 34 GLY HA3 H 1 3.97 0.02 . 2 . . . A 33 GLY HA3 . 18533 1 357 . 1 1 34 34 GLY CA C 13 46.20 0.05 . 1 . . . A 33 GLY CA . 18533 1 358 . 1 1 34 34 GLY N N 15 106.73 0.05 . 1 . . . A 33 GLY N . 18533 1 359 . 1 1 35 35 LEU H H 1 7.98 0.02 . 1 . . . A 34 LEU H . 18533 1 360 . 1 1 35 35 LEU HA H 1 4.68 0.02 . 1 . . . A 34 LEU HA . 18533 1 361 . 1 1 35 35 LEU HB2 H 1 1.80 0.02 . 2 . . . A 34 LEU HB2 . 18533 1 362 . 1 1 35 35 LEU HB3 H 1 1.43 0.02 . 2 . . . A 34 LEU HB3 . 18533 1 363 . 1 1 35 35 LEU HG H 1 1.43 0.02 . 1 . . . A 34 LEU HG . 18533 1 364 . 1 1 35 35 LEU HD11 H 1 0.74 0.02 . 2 . . . A 34 LEU HD11 . 18533 1 365 . 1 1 35 35 LEU HD12 H 1 0.74 0.02 . 2 . . . A 34 LEU HD12 . 18533 1 366 . 1 1 35 35 LEU HD13 H 1 0.74 0.02 . 2 . . . A 34 LEU HD13 . 18533 1 367 . 1 1 35 35 LEU HD21 H 1 0.82 0.02 . 2 . . . A 34 LEU HD21 . 18533 1 368 . 1 1 35 35 LEU HD22 H 1 0.82 0.02 . 2 . . . A 34 LEU HD22 . 18533 1 369 . 1 1 35 35 LEU HD23 H 1 0.82 0.02 . 2 . . . A 34 LEU HD23 . 18533 1 370 . 1 1 35 35 LEU CA C 13 54.15 0.05 . 1 . . . A 34 LEU CA . 18533 1 371 . 1 1 35 35 LEU CB C 13 43.19 0.05 . 1 . . . A 34 LEU CB . 18533 1 372 . 1 1 35 35 LEU CG C 13 27.13 0.05 . 1 . . . A 34 LEU CG . 18533 1 373 . 1 1 35 35 LEU CD1 C 13 22.99 0.05 . 1 . . . A 34 LEU CD1 . 18533 1 374 . 1 1 35 35 LEU CD2 C 13 25.67 0.05 . 1 . . . A 34 LEU CD2 . 18533 1 375 . 1 1 35 35 LEU N N 15 119.98 0.05 . 1 . . . A 34 LEU N . 18533 1 376 . 1 1 36 36 GLY H H 1 8.83 0.02 . 1 . . . A 35 GLY H . 18533 1 377 . 1 1 36 36 GLY HA2 H 1 3.80 0.02 . 2 . . . A 35 GLY HA2 . 18533 1 378 . 1 1 36 36 GLY HA3 H 1 3.80 0.02 . 2 . . . A 35 GLY HA3 . 18533 1 379 . 1 1 36 36 GLY CA C 13 47.10 0.05 . 1 . . . A 35 GLY CA . 18533 1 380 . 1 1 36 36 GLY N N 15 108.66 0.05 . 1 . . . A 35 GLY N . 18533 1 381 . 1 1 37 37 ASP H H 1 8.30 0.02 . 1 . . . A 36 ASP H . 18533 1 382 . 1 1 37 37 ASP HA H 1 4.77 0.02 . 1 . . . A 36 ASP HA . 18533 1 383 . 1 1 37 37 ASP HB2 H 1 2.69 0.02 . 2 . . . A 36 ASP HB2 . 18533 1 384 . 1 1 37 37 ASP HB3 H 1 2.50 0.02 . 2 . . . A 36 ASP HB3 . 18533 1 385 . 1 1 37 37 ASP CA C 13 54.39 0.05 . 1 . . . A 36 ASP CA . 18533 1 386 . 1 1 37 37 ASP CB C 13 41.17 0.05 . 1 . . . A 36 ASP CB . 18533 1 387 . 1 1 37 37 ASP N N 15 115.36 0.05 . 1 . . . A 36 ASP N . 18533 1 388 . 1 1 38 38 ALA H H 1 7.38 0.02 . 1 . . . A 37 ALA H . 18533 1 389 . 1 1 38 38 ALA HA H 1 4.31 0.02 . 1 . . . A 37 ALA HA . 18533 1 390 . 1 1 38 38 ALA HB1 H 1 1.45 0.02 . 1 . . . A 37 ALA HB1 . 18533 1 391 . 1 1 38 38 ALA HB2 H 1 1.45 0.02 . 1 . . . A 37 ALA HB2 . 18533 1 392 . 1 1 38 38 ALA HB3 H 1 1.45 0.02 . 1 . . . A 37 ALA HB3 . 18533 1 393 . 1 1 38 38 ALA CA C 13 52.95 0.05 . 1 . . . A 37 ALA CA . 18533 1 394 . 1 1 38 38 ALA CB C 13 20.85 0.05 . 1 . . . A 37 ALA CB . 18533 1 395 . 1 1 38 38 ALA N N 15 121.46 0.05 . 1 . . . A 37 ALA N . 18533 1 396 . 1 1 39 39 VAL H H 1 7.10 0.02 . 1 . . . A 38 VAL H . 18533 1 397 . 1 1 39 39 VAL HA H 1 4.80 0.02 . 1 . . . A 38 VAL HA . 18533 1 398 . 1 1 39 39 VAL HB H 1 1.99 0.02 . 1 . . . A 38 VAL HB . 18533 1 399 . 1 1 39 39 VAL HG11 H 1 0.96 0.02 . 2 . . . A 38 VAL HG11 . 18533 1 400 . 1 1 39 39 VAL HG12 H 1 0.96 0.02 . 2 . . . A 38 VAL HG12 . 18533 1 401 . 1 1 39 39 VAL HG13 H 1 0.96 0.02 . 2 . . . A 38 VAL HG13 . 18533 1 402 . 1 1 39 39 VAL HG21 H 1 0.82 0.02 . 2 . . . A 38 VAL HG21 . 18533 1 403 . 1 1 39 39 VAL HG22 H 1 0.82 0.02 . 2 . . . A 38 VAL HG22 . 18533 1 404 . 1 1 39 39 VAL HG23 H 1 0.82 0.02 . 2 . . . A 38 VAL HG23 . 18533 1 405 . 1 1 39 39 VAL CA C 13 60.04 0.05 . 1 . . . A 38 VAL CA . 18533 1 406 . 1 1 39 39 VAL CB C 13 35.19 0.05 . 1 . . . A 38 VAL CB . 18533 1 407 . 1 1 39 39 VAL CG1 C 13 21.90 0.05 . 1 . . . A 38 VAL CG1 . 18533 1 408 . 1 1 39 39 VAL CG2 C 13 21.42 0.05 . 1 . . . A 38 VAL CG2 . 18533 1 409 . 1 1 39 39 VAL N N 15 115.66 0.05 . 1 . . . A 38 VAL N . 18533 1 410 . 1 1 40 40 ARG H H 1 9.73 0.02 . 1 . . . A 39 ARG H . 18533 1 411 . 1 1 40 40 ARG HA H 1 4.54 0.02 . 1 . . . A 39 ARG HA . 18533 1 412 . 1 1 40 40 ARG HB2 H 1 1.49 0.02 . 2 . . . A 39 ARG HB2 . 18533 1 413 . 1 1 40 40 ARG HB3 H 1 1.57 0.02 . 2 . . . A 39 ARG HB3 . 18533 1 414 . 1 1 40 40 ARG HG2 H 1 1.15 0.02 . 2 . . . A 39 ARG HG2 . 18533 1 415 . 1 1 40 40 ARG HG3 H 1 1.47 0.02 . 2 . . . A 39 ARG HG3 . 18533 1 416 . 1 1 40 40 ARG HD2 H 1 2.44 0.02 . 2 . . . A 39 ARG HD2 . 18533 1 417 . 1 1 40 40 ARG HD3 H 1 2.74 0.02 . 2 . . . A 39 ARG HD3 . 18533 1 418 . 1 1 40 40 ARG CA C 13 54.71 0.05 . 1 . . . A 39 ARG CA . 18533 1 419 . 1 1 40 40 ARG CB C 13 32.32 0.05 . 1 . . . A 39 ARG CB . 18533 1 420 . 1 1 40 40 ARG CG C 13 27.06 0.05 . 1 . . . A 39 ARG CG . 18533 1 421 . 1 1 40 40 ARG CD C 13 43.37 0.05 . 1 . . . A 39 ARG CD . 18533 1 422 . 1 1 40 40 ARG N N 15 129.23 0.05 . 1 . . . A 39 ARG N . 18533 1 423 . 1 1 41 41 VAL H H 1 8.61 0.02 . 1 . . . A 40 VAL H . 18533 1 424 . 1 1 41 41 VAL HA H 1 5.69 0.02 . 1 . . . A 40 VAL HA . 18533 1 425 . 1 1 41 41 VAL HB H 1 2.16 0.02 . 1 . . . A 40 VAL HB . 18533 1 426 . 1 1 41 41 VAL HG11 H 1 1.52 0.02 . 2 . . . A 40 VAL HG11 . 18533 1 427 . 1 1 41 41 VAL HG12 H 1 1.52 0.02 . 2 . . . A 40 VAL HG12 . 18533 1 428 . 1 1 41 41 VAL HG13 H 1 1.52 0.02 . 2 . . . A 40 VAL HG13 . 18533 1 429 . 1 1 41 41 VAL HG21 H 1 0.91 0.02 . 2 . . . A 40 VAL HG21 . 18533 1 430 . 1 1 41 41 VAL HG22 H 1 0.91 0.02 . 2 . . . A 40 VAL HG22 . 18533 1 431 . 1 1 41 41 VAL HG23 H 1 0.91 0.02 . 2 . . . A 40 VAL HG23 . 18533 1 432 . 1 1 41 41 VAL CA C 13 60.56 0.05 . 1 . . . A 40 VAL CA . 18533 1 433 . 1 1 41 41 VAL CB C 13 33.94 0.05 . 1 . . . A 40 VAL CB . 18533 1 434 . 1 1 41 41 VAL CG1 C 13 24.63 0.05 . 1 . . . A 40 VAL CG1 . 18533 1 435 . 1 1 41 41 VAL CG2 C 13 23.12 0.05 . 1 . . . A 40 VAL CG2 . 18533 1 436 . 1 1 41 41 VAL N N 15 126.24 0.05 . 1 . . . A 40 VAL N . 18533 1 437 . 1 1 42 42 THR H H 1 8.87 0.02 . 1 . . . A 41 THR H . 18533 1 438 . 1 1 42 42 THR HA H 1 4.89 0.02 . 1 . . . A 41 THR HA . 18533 1 439 . 1 1 42 42 THR HB H 1 4.70 0.02 . 1 . . . A 41 THR HB . 18533 1 440 . 1 1 42 42 THR HG21 H 1 1.18 0.02 . 1 . . . A 41 THR HG21 . 18533 1 441 . 1 1 42 42 THR HG22 H 1 1.18 0.02 . 1 . . . A 41 THR HG22 . 18533 1 442 . 1 1 42 42 THR HG23 H 1 1.18 0.02 . 1 . . . A 41 THR HG23 . 18533 1 443 . 1 1 42 42 THR CA C 13 60.30 0.05 . 1 . . . A 41 THR CA . 18533 1 444 . 1 1 42 42 THR CB C 13 73.89 0.05 . 1 . . . A 41 THR CB . 18533 1 445 . 1 1 42 42 THR CG2 C 13 21.62 0.05 . 1 . . . A 41 THR CG2 . 18533 1 446 . 1 1 42 42 THR N N 15 117.31 0.05 . 1 . . . A 41 THR N . 18533 1 447 . 1 1 43 43 SER H H 1 8.06 0.02 . 1 . . . A 42 SER H . 18533 1 448 . 1 1 43 43 SER HA H 1 5.72 0.02 . 1 . . . A 42 SER HA . 18533 1 449 . 1 1 43 43 SER HB2 H 1 4.20 0.02 . 2 . . . A 42 SER HB2 . 18533 1 450 . 1 1 43 43 SER HB3 H 1 3.70 0.02 . 2 . . . A 42 SER HB3 . 18533 1 451 . 1 1 43 43 SER CA C 13 58.09 0.05 . 1 . . . A 42 SER CA . 18533 1 452 . 1 1 43 43 SER CB C 13 65.87 0.05 . 1 . . . A 42 SER CB . 18533 1 453 . 1 1 43 43 SER N N 15 109.96 0.05 . 1 . . . A 42 SER N . 18533 1 454 . 1 1 44 44 ALA H H 1 8.71 0.02 . 1 . . . A 43 ALA H . 18533 1 455 . 1 1 44 44 ALA HA H 1 4.26 0.02 . 1 . . . A 43 ALA HA . 18533 1 456 . 1 1 44 44 ALA HB1 H 1 0.30 0.02 . 1 . . . A 43 ALA HB1 . 18533 1 457 . 1 1 44 44 ALA HB2 H 1 0.30 0.02 . 1 . . . A 43 ALA HB2 . 18533 1 458 . 1 1 44 44 ALA HB3 H 1 0.30 0.02 . 1 . . . A 43 ALA HB3 . 18533 1 459 . 1 1 44 44 ALA CA C 13 51.18 0.05 . 1 . . . A 43 ALA CA . 18533 1 460 . 1 1 44 44 ALA CB C 13 20.83 0.05 . 1 . . . A 43 ALA CB . 18533 1 461 . 1 1 44 44 ALA N N 15 119.20 0.05 . 1 . . . A 43 ALA N . 18533 1 462 . 1 1 45 45 GLY H H 1 8.67 0.02 . 1 . . . A 44 GLY H . 18533 1 463 . 1 1 45 45 GLY HA2 H 1 5.04 0.02 . 2 . . . A 44 GLY HA2 . 18533 1 464 . 1 1 45 45 GLY HA3 H 1 3.07 0.02 . 2 . . . A 44 GLY HA3 . 18533 1 465 . 1 1 45 45 GLY CA C 13 42.54 0.05 . 1 . . . A 44 GLY CA . 18533 1 466 . 1 1 45 45 GLY N N 15 104.09 0.05 . 1 . . . A 44 GLY N . 18533 1 467 . 1 1 46 46 THR H H 1 9.12 0.02 . 1 . . . A 45 THR H . 18533 1 468 . 1 1 46 46 THR HA H 1 4.08 0.02 . 1 . . . A 45 THR HA . 18533 1 469 . 1 1 46 46 THR HB H 1 4.35 0.02 . 1 . . . A 45 THR HB . 18533 1 470 . 1 1 46 46 THR HG21 H 1 1.26 0.02 . 1 . . . A 45 THR HG21 . 18533 1 471 . 1 1 46 46 THR HG22 H 1 1.26 0.02 . 1 . . . A 45 THR HG22 . 18533 1 472 . 1 1 46 46 THR HG23 H 1 1.26 0.02 . 1 . . . A 45 THR HG23 . 18533 1 473 . 1 1 46 46 THR CA C 13 64.68 0.05 . 1 . . . A 45 THR CA . 18533 1 474 . 1 1 46 46 THR CB C 13 67.88 0.05 . 1 . . . A 45 THR CB . 18533 1 475 . 1 1 46 46 THR CG2 C 13 22.34 0.05 . 1 . . . A 45 THR CG2 . 18533 1 476 . 1 1 46 46 THR N N 15 114.06 0.05 . 1 . . . A 45 THR N . 18533 1 477 . 1 1 47 47 GLY H H 1 8.93 0.02 . 1 . . . A 46 GLY H . 18533 1 478 . 1 1 47 47 GLY HA2 H 1 4.23 0.02 . 2 . . . A 46 GLY HA2 . 18533 1 479 . 1 1 47 47 GLY HA3 H 1 3.14 0.02 . 2 . . . A 46 GLY HA3 . 18533 1 480 . 1 1 47 47 GLY CA C 13 43.83 0.05 . 1 . . . A 46 GLY CA . 18533 1 481 . 1 1 47 47 GLY N N 15 110.38 0.05 . 1 . . . A 46 GLY N . 18533 1 482 . 1 1 48 48 ASN H H 1 7.60 0.02 . 1 . . . A 47 ASN H . 18533 1 483 . 1 1 48 48 ASN HA H 1 4.49 0.02 . 1 . . . A 47 ASN HA . 18533 1 484 . 1 1 48 48 ASN HB2 H 1 2.94 0.02 . 2 . . . A 47 ASN HB2 . 18533 1 485 . 1 1 48 48 ASN HB3 H 1 2.35 0.02 . 2 . . . A 47 ASN HB3 . 18533 1 486 . 1 1 48 48 ASN HD21 H 1 7.28 0.02 . 2 . . . A 47 ASN HD21 . 18533 1 487 . 1 1 48 48 ASN HD22 H 1 6.54 0.02 . 2 . . . A 47 ASN HD22 . 18533 1 488 . 1 1 48 48 ASN CA C 13 51.76 0.05 . 1 . . . A 47 ASN CA . 18533 1 489 . 1 1 48 48 ASN CB C 13 38.85 0.05 . 1 . . . A 47 ASN CB . 18533 1 490 . 1 1 48 48 ASN N N 15 113.44 0.05 . 1 . . . A 47 ASN N . 18533 1 491 . 1 1 48 48 ASN ND2 N 15 109.05 0.05 . 1 . . . A 47 ASN ND2 . 18533 1 492 . 1 1 49 49 TRP H H 1 6.92 0.02 . 1 . . . A 48 TRP H . 18533 1 493 . 1 1 49 49 TRP HA H 1 3.90 0.02 . 1 . . . A 48 TRP HA . 18533 1 494 . 1 1 49 49 TRP HB2 H 1 2.89 0.02 . 2 . . . A 48 TRP HB2 . 18533 1 495 . 1 1 49 49 TRP HB3 H 1 2.89 0.02 . 2 . . . A 48 TRP HB3 . 18533 1 496 . 1 1 49 49 TRP HD1 H 1 7.18 0.02 . 1 . . . A 48 TRP HD1 . 18533 1 497 . 1 1 49 49 TRP HE3 H 1 7.51 0.02 . 1 . . . A 48 TRP HE3 . 18533 1 498 . 1 1 49 49 TRP HZ2 H 1 7.57 0.02 . 1 . . . A 48 TRP HZ2 . 18533 1 499 . 1 1 49 49 TRP HZ3 H 1 7.05 0.02 . 1 . . . A 48 TRP HZ3 . 18533 1 500 . 1 1 49 49 TRP HH2 H 1 7.19 0.02 . 1 . . . A 48 TRP HH2 . 18533 1 501 . 1 1 49 49 TRP CA C 13 60.86 0.05 . 1 . . . A 48 TRP CA . 18533 1 502 . 1 1 49 49 TRP CB C 13 28.52 0.05 . 1 . . . A 48 TRP CB . 18533 1 503 . 1 1 49 49 TRP CD1 C 13 127.34 0.05 . 1 . . . A 48 TRP CD1 . 18533 1 504 . 1 1 49 49 TRP CE3 C 13 118.80 0.05 . 1 . . . A 48 TRP CE3 . 18533 1 505 . 1 1 49 49 TRP CZ2 C 13 115.54 0.05 . 1 . . . A 48 TRP CZ2 . 18533 1 506 . 1 1 49 49 TRP CZ3 C 13 122.13 0.05 . 1 . . . A 48 TRP CZ3 . 18533 1 507 . 1 1 49 49 TRP CH2 C 13 124.63 0.05 . 1 . . . A 48 TRP CH2 . 18533 1 508 . 1 1 49 49 TRP N N 15 117.30 0.05 . 1 . . . A 48 TRP N . 18533 1 509 . 1 1 50 50 HIS H H 1 8.62 0.02 . 1 . . . A 49 HIS H . 18533 1 510 . 1 1 50 50 HIS HA H 1 4.88 0.02 . 1 . . . A 49 HIS HA . 18533 1 511 . 1 1 50 50 HIS HB2 H 1 3.35 0.02 . 2 . . . A 49 HIS HB2 . 18533 1 512 . 1 1 50 50 HIS HB3 H 1 2.79 0.02 . 2 . . . A 49 HIS HB3 . 18533 1 513 . 1 1 50 50 HIS HD2 H 1 6.75 0.02 . 1 . . . A 49 HIS HD2 . 18533 1 514 . 1 1 50 50 HIS CA C 13 53.86 0.05 . 1 . . . A 49 HIS CA . 18533 1 515 . 1 1 50 50 HIS CB C 13 31.04 0.05 . 1 . . . A 49 HIS CB . 18533 1 516 . 1 1 50 50 HIS CD2 C 13 121.70 0.05 . 1 . . . A 49 HIS CD2 . 18533 1 517 . 1 1 50 50 HIS N N 15 111.59 0.05 . 1 . . . A 49 HIS N . 18533 1 518 . 1 1 51 51 VAL H H 1 6.88 0.02 . 1 . . . A 50 VAL H . 18533 1 519 . 1 1 51 51 VAL HA H 1 3.20 0.02 . 1 . . . A 50 VAL HA . 18533 1 520 . 1 1 51 51 VAL HB H 1 1.93 0.02 . 1 . . . A 50 VAL HB . 18533 1 521 . 1 1 51 51 VAL HG11 H 1 1.00 0.02 . 2 . . . A 50 VAL HG11 . 18533 1 522 . 1 1 51 51 VAL HG12 H 1 1.00 0.02 . 2 . . . A 50 VAL HG12 . 18533 1 523 . 1 1 51 51 VAL HG13 H 1 1.00 0.02 . 2 . . . A 50 VAL HG13 . 18533 1 524 . 1 1 51 51 VAL HG21 H 1 1.00 0.02 . 2 . . . A 50 VAL HG21 . 18533 1 525 . 1 1 51 51 VAL HG22 H 1 1.00 0.02 . 2 . . . A 50 VAL HG22 . 18533 1 526 . 1 1 51 51 VAL HG23 H 1 1.00 0.02 . 2 . . . A 50 VAL HG23 . 18533 1 527 . 1 1 51 51 VAL CA C 13 65.68 0.05 . 1 . . . A 50 VAL CA . 18533 1 528 . 1 1 51 51 VAL CB C 13 31.39 0.05 . 1 . . . A 50 VAL CB . 18533 1 529 . 1 1 51 51 VAL CG1 C 13 22.58 0.05 . 2 . . . A 50 VAL CG1 . 18533 1 530 . 1 1 51 51 VAL CG2 C 13 22.58 0.05 . 2 . . . A 50 VAL CG2 . 18533 1 531 . 1 1 51 51 VAL N N 15 119.01 0.05 . 1 . . . A 50 VAL N . 18533 1 532 . 1 1 52 52 GLY H H 1 9.12 0.02 . 1 . . . A 51 GLY H . 18533 1 533 . 1 1 52 52 GLY HA2 H 1 4.51 0.02 . 2 . . . A 51 GLY HA2 . 18533 1 534 . 1 1 52 52 GLY HA3 H 1 3.53 0.02 . 2 . . . A 51 GLY HA3 . 18533 1 535 . 1 1 52 52 GLY CA C 13 44.94 0.05 . 1 . . . A 51 GLY CA . 18533 1 536 . 1 1 52 52 GLY N N 15 115.45 0.05 . 1 . . . A 51 GLY N . 18533 1 537 . 1 1 53 53 SER H H 1 8.43 0.02 . 1 . . . A 52 SER H . 18533 1 538 . 1 1 53 53 SER HA H 1 4.61 0.02 . 1 . . . A 52 SER HA . 18533 1 539 . 1 1 53 53 SER HB2 H 1 4.16 0.02 . 2 . . . A 52 SER HB2 . 18533 1 540 . 1 1 53 53 SER HB3 H 1 4.10 0.02 . 2 . . . A 52 SER HB3 . 18533 1 541 . 1 1 53 53 SER CA C 13 59.31 0.05 . 1 . . . A 52 SER CA . 18533 1 542 . 1 1 53 53 SER CB C 13 64.63 0.05 . 1 . . . A 52 SER CB . 18533 1 543 . 1 1 53 53 SER N N 15 116.62 0.05 . 1 . . . A 52 SER N . 18533 1 544 . 1 1 54 54 CYS H H 1 8.17 0.02 . 1 . . . A 53 CYS H . 18533 1 545 . 1 1 54 54 CYS HA H 1 5.10 0.02 . 1 . . . A 53 CYS HA . 18533 1 546 . 1 1 54 54 CYS HB2 H 1 3.26 0.02 . 2 . . . A 53 CYS HB2 . 18533 1 547 . 1 1 54 54 CYS HB3 H 1 3.15 0.02 . 2 . . . A 53 CYS HB3 . 18533 1 548 . 1 1 54 54 CYS CA C 13 57.67 0.05 . 1 . . . A 53 CYS CA . 18533 1 549 . 1 1 54 54 CYS CB C 13 28.35 0.05 . 1 . . . A 53 CYS CB . 18533 1 550 . 1 1 54 54 CYS N N 15 118.69 0.05 . 1 . . . A 53 CYS N . 18533 1 551 . 1 1 55 55 ALA H H 1 8.42 0.02 . 1 . . . A 54 ALA H . 18533 1 552 . 1 1 55 55 ALA HA H 1 4.12 0.02 . 1 . . . A 54 ALA HA . 18533 1 553 . 1 1 55 55 ALA HB1 H 1 1.13 0.02 . 1 . . . A 54 ALA HB1 . 18533 1 554 . 1 1 55 55 ALA HB2 H 1 1.13 0.02 . 1 . . . A 54 ALA HB2 . 18533 1 555 . 1 1 55 55 ALA HB3 H 1 1.13 0.02 . 1 . . . A 54 ALA HB3 . 18533 1 556 . 1 1 55 55 ALA CA C 13 52.64 0.05 . 1 . . . A 54 ALA CA . 18533 1 557 . 1 1 55 55 ALA CB C 13 16.63 0.05 . 1 . . . A 54 ALA CB . 18533 1 558 . 1 1 55 55 ALA N N 15 118.58 0.05 . 1 . . . A 54 ALA N . 18533 1 559 . 1 1 56 56 ASP H H 1 8.47 0.02 . 1 . . . A 55 ASP H . 18533 1 560 . 1 1 56 56 ASP HA H 1 4.34 0.02 . 1 . . . A 55 ASP HA . 18533 1 561 . 1 1 56 56 ASP HB2 H 1 2.56 0.02 . 2 . . . A 55 ASP HB2 . 18533 1 562 . 1 1 56 56 ASP HB3 H 1 2.48 0.02 . 2 . . . A 55 ASP HB3 . 18533 1 563 . 1 1 56 56 ASP CA C 13 55.05 0.05 . 1 . . . A 55 ASP CA . 18533 1 564 . 1 1 56 56 ASP CB C 13 46.06 0.05 . 1 . . . A 55 ASP CB . 18533 1 565 . 1 1 56 56 ASP N N 15 121.50 0.05 . 1 . . . A 55 ASP N . 18533 1 566 . 1 1 57 57 GLU H H 1 9.23 0.02 . 1 . . . A 56 GLU H . 18533 1 567 . 1 1 57 57 GLU HA H 1 4.04 0.02 . 1 . . . A 56 GLU HA . 18533 1 568 . 1 1 57 57 GLU HB2 H 1 2.03 0.02 . 2 . . . A 56 GLU HB2 . 18533 1 569 . 1 1 57 57 GLU HB3 H 1 1.99 0.02 . 2 . . . A 56 GLU HB3 . 18533 1 570 . 1 1 57 57 GLU HG2 H 1 2.28 0.02 . 2 . . . A 56 GLU HG2 . 18533 1 571 . 1 1 57 57 GLU HG3 H 1 2.28 0.02 . 2 . . . A 56 GLU HG3 . 18533 1 572 . 1 1 57 57 GLU CA C 13 59.64 0.05 . 1 . . . A 56 GLU CA . 18533 1 573 . 1 1 57 57 GLU CB C 13 29.50 0.05 . 1 . . . A 56 GLU CB . 18533 1 574 . 1 1 57 57 GLU CG C 13 35.98 0.05 . 1 . . . A 56 GLU CG . 18533 1 575 . 1 1 57 57 GLU N N 15 127.84 0.05 . 1 . . . A 56 GLU N . 18533 1 576 . 1 1 58 58 ARG H H 1 9.22 0.02 . 1 . . . A 57 ARG H . 18533 1 577 . 1 1 58 58 ARG HA H 1 3.81 0.02 . 1 . . . A 57 ARG HA . 18533 1 578 . 1 1 58 58 ARG HB2 H 1 0.29 0.02 . 2 . . . A 57 ARG HB2 . 18533 1 579 . 1 1 58 58 ARG HB3 H 1 0.29 0.02 . 2 . . . A 57 ARG HB3 . 18533 1 580 . 1 1 58 58 ARG HG2 H 1 1.32 0.02 . 2 . . . A 57 ARG HG2 . 18533 1 581 . 1 1 58 58 ARG HG3 H 1 1.32 0.02 . 2 . . . A 57 ARG HG3 . 18533 1 582 . 1 1 58 58 ARG HD2 H 1 3.12 0.02 . 2 . . . A 57 ARG HD2 . 18533 1 583 . 1 1 58 58 ARG HD3 H 1 2.27 0.02 . 2 . . . A 57 ARG HD3 . 18533 1 584 . 1 1 58 58 ARG CA C 13 58.15 0.05 . 1 . . . A 57 ARG CA . 18533 1 585 . 1 1 58 58 ARG CB C 13 27.27 0.05 . 1 . . . A 57 ARG CB . 18533 1 586 . 1 1 58 58 ARG CG C 13 25.34 0.05 . 1 . . . A 57 ARG CG . 18533 1 587 . 1 1 58 58 ARG CD C 13 42.62 0.05 . 1 . . . A 57 ARG CD . 18533 1 588 . 1 1 58 58 ARG N N 15 120.82 0.05 . 1 . . . A 57 ARG N . 18533 1 589 . 1 1 59 59 ALA H H 1 6.68 0.02 . 1 . . . A 58 ALA H . 18533 1 590 . 1 1 59 59 ALA HA H 1 4.16 0.02 . 1 . . . A 58 ALA HA . 18533 1 591 . 1 1 59 59 ALA HB1 H 1 1.66 0.02 . 1 . . . A 58 ALA HB1 . 18533 1 592 . 1 1 59 59 ALA HB2 H 1 1.66 0.02 . 1 . . . A 58 ALA HB2 . 18533 1 593 . 1 1 59 59 ALA HB3 H 1 1.66 0.02 . 1 . . . A 58 ALA HB3 . 18533 1 594 . 1 1 59 59 ALA CA C 13 54.78 0.05 . 1 . . . A 58 ALA CA . 18533 1 595 . 1 1 59 59 ALA CB C 13 18.49 0.05 . 1 . . . A 58 ALA CB . 18533 1 596 . 1 1 59 59 ALA N N 15 121.59 0.05 . 1 . . . A 58 ALA N . 18533 1 597 . 1 1 60 60 ALA H H 1 8.54 0.02 . 1 . . . A 59 ALA H . 18533 1 598 . 1 1 60 60 ALA HA H 1 3.86 0.02 . 1 . . . A 59 ALA HA . 18533 1 599 . 1 1 60 60 ALA HB1 H 1 1.41 0.02 . 1 . . . A 59 ALA HB1 . 18533 1 600 . 1 1 60 60 ALA HB2 H 1 1.41 0.02 . 1 . . . A 59 ALA HB2 . 18533 1 601 . 1 1 60 60 ALA HB3 H 1 1.41 0.02 . 1 . . . A 59 ALA HB3 . 18533 1 602 . 1 1 60 60 ALA CA C 13 55.02 0.05 . 1 . . . A 59 ALA CA . 18533 1 603 . 1 1 60 60 ALA CB C 13 18.07 0.05 . 1 . . . A 59 ALA CB . 18533 1 604 . 1 1 60 60 ALA N N 15 118.97 0.05 . 1 . . . A 59 ALA N . 18533 1 605 . 1 1 61 61 GLY H H 1 8.21 0.02 . 1 . . . A 60 GLY H . 18533 1 606 . 1 1 61 61 GLY HA2 H 1 3.93 0.02 . 2 . . . A 60 GLY HA2 . 18533 1 607 . 1 1 61 61 GLY HA3 H 1 3.71 0.02 . 2 . . . A 60 GLY HA3 . 18533 1 608 . 1 1 61 61 GLY CA C 13 47.27 0.05 . 1 . . . A 60 GLY CA . 18533 1 609 . 1 1 61 61 GLY N N 15 104.16 0.05 . 1 . . . A 60 GLY N . 18533 1 610 . 1 1 62 62 VAL H H 1 7.31 0.02 . 1 . . . A 61 VAL H . 18533 1 611 . 1 1 62 62 VAL HA H 1 3.85 0.02 . 1 . . . A 61 VAL HA . 18533 1 612 . 1 1 62 62 VAL HB H 1 2.04 0.02 . 1 . . . A 61 VAL HB . 18533 1 613 . 1 1 62 62 VAL HG11 H 1 1.03 0.02 . 2 . . . A 61 VAL HG11 . 18533 1 614 . 1 1 62 62 VAL HG12 H 1 1.03 0.02 . 2 . . . A 61 VAL HG12 . 18533 1 615 . 1 1 62 62 VAL HG13 H 1 1.03 0.02 . 2 . . . A 61 VAL HG13 . 18533 1 616 . 1 1 62 62 VAL HG21 H 1 0.86 0.02 . 2 . . . A 61 VAL HG21 . 18533 1 617 . 1 1 62 62 VAL HG22 H 1 0.86 0.02 . 2 . . . A 61 VAL HG22 . 18533 1 618 . 1 1 62 62 VAL HG23 H 1 0.86 0.02 . 2 . . . A 61 VAL HG23 . 18533 1 619 . 1 1 62 62 VAL CA C 13 66.25 0.05 . 1 . . . A 61 VAL CA . 18533 1 620 . 1 1 62 62 VAL CB C 13 31.89 0.05 . 1 . . . A 61 VAL CB . 18533 1 621 . 1 1 62 62 VAL CG1 C 13 23.78 0.05 . 1 . . . A 61 VAL CG1 . 18533 1 622 . 1 1 62 62 VAL CG2 C 13 22.43 0.05 . 1 . . . A 61 VAL CG2 . 18533 1 623 . 1 1 62 62 VAL N N 15 122.82 0.05 . 1 . . . A 61 VAL N . 18533 1 624 . 1 1 63 63 LEU H H 1 8.09 0.02 . 1 . . . A 62 LEU H . 18533 1 625 . 1 1 63 63 LEU HA H 1 3.98 0.02 . 1 . . . A 62 LEU HA . 18533 1 626 . 1 1 63 63 LEU HB2 H 1 1.97 0.02 . 2 . . . A 62 LEU HB2 . 18533 1 627 . 1 1 63 63 LEU HB3 H 1 1.37 0.02 . 2 . . . A 62 LEU HB3 . 18533 1 628 . 1 1 63 63 LEU HD11 H 1 0.74 0.02 . 2 . . . A 62 LEU HD11 . 18533 1 629 . 1 1 63 63 LEU HD12 H 1 0.74 0.02 . 2 . . . A 62 LEU HD12 . 18533 1 630 . 1 1 63 63 LEU HD13 H 1 0.74 0.02 . 2 . . . A 62 LEU HD13 . 18533 1 631 . 1 1 63 63 LEU HD21 H 1 1.01 0.02 . 2 . . . A 62 LEU HD21 . 18533 1 632 . 1 1 63 63 LEU HD22 H 1 1.01 0.02 . 2 . . . A 62 LEU HD22 . 18533 1 633 . 1 1 63 63 LEU HD23 H 1 1.01 0.02 . 2 . . . A 62 LEU HD23 . 18533 1 634 . 1 1 63 63 LEU CA C 13 58.95 0.05 . 1 . . . A 62 LEU CA . 18533 1 635 . 1 1 63 63 LEU CB C 13 41.50 0.05 . 1 . . . A 62 LEU CB . 18533 1 636 . 1 1 63 63 LEU CD1 C 13 24.29 0.05 . 1 . . . A 62 LEU CD1 . 18533 1 637 . 1 1 63 63 LEU CD2 C 13 22.51 0.05 . 1 . . . A 62 LEU CD2 . 18533 1 638 . 1 1 63 63 LEU N N 15 120.31 0.05 . 1 . . . A 62 LEU N . 18533 1 639 . 1 1 64 64 ARG H H 1 8.74 0.02 . 1 . . . A 63 ARG H . 18533 1 640 . 1 1 64 64 ARG HA H 1 4.18 0.02 . 1 . . . A 63 ARG HA . 18533 1 641 . 1 1 64 64 ARG HB2 H 1 1.93 0.02 . 2 . . . A 63 ARG HB2 . 18533 1 642 . 1 1 64 64 ARG HB3 H 1 1.83 0.02 . 2 . . . A 63 ARG HB3 . 18533 1 643 . 1 1 64 64 ARG HG2 H 1 1.70 0.02 . 2 . . . A 63 ARG HG2 . 18533 1 644 . 1 1 64 64 ARG HG3 H 1 1.61 0.02 . 2 . . . A 63 ARG HG3 . 18533 1 645 . 1 1 64 64 ARG HD2 H 1 3.24 0.02 . 2 . . . A 63 ARG HD2 . 18533 1 646 . 1 1 64 64 ARG HD3 H 1 3.24 0.02 . 2 . . . A 63 ARG HD3 . 18533 1 647 . 1 1 64 64 ARG CA C 13 59.45 0.05 . 1 . . . A 63 ARG CA . 18533 1 648 . 1 1 64 64 ARG CB C 13 30.38 0.05 . 1 . . . A 63 ARG CB . 18533 1 649 . 1 1 64 64 ARG CG C 13 27.46 0.05 . 1 . . . A 63 ARG CG . 18533 1 650 . 1 1 64 64 ARG CD C 13 43.40 0.05 . 1 . . . A 63 ARG CD . 18533 1 651 . 1 1 64 64 ARG N N 15 119.44 0.05 . 1 . . . A 63 ARG N . 18533 1 652 . 1 1 65 65 ALA H H 1 7.91 0.02 . 1 . . . A 64 ALA H . 18533 1 653 . 1 1 65 65 ALA HA H 1 4.03 0.02 . 1 . . . A 64 ALA HA . 18533 1 654 . 1 1 65 65 ALA HB1 H 1 1.32 0.02 . 1 . . . A 64 ALA HB1 . 18533 1 655 . 1 1 65 65 ALA HB2 H 1 1.32 0.02 . 1 . . . A 64 ALA HB2 . 18533 1 656 . 1 1 65 65 ALA HB3 H 1 1.32 0.02 . 1 . . . A 64 ALA HB3 . 18533 1 657 . 1 1 65 65 ALA CA C 13 54.54 0.05 . 1 . . . A 64 ALA CA . 18533 1 658 . 1 1 65 65 ALA CB C 13 18.08 0.05 . 1 . . . A 64 ALA CB . 18533 1 659 . 1 1 65 65 ALA N N 15 122.56 0.05 . 1 . . . A 64 ALA N . 18533 1 660 . 1 1 66 66 HIS H H 1 7.41 0.02 . 1 . . . A 65 HIS H . 18533 1 661 . 1 1 66 66 HIS HA H 1 4.64 0.02 . 1 . . . A 65 HIS HA . 18533 1 662 . 1 1 66 66 HIS HB2 H 1 3.80 0.02 . 2 . . . A 65 HIS HB2 . 18533 1 663 . 1 1 66 66 HIS HB3 H 1 2.85 0.02 . 2 . . . A 65 HIS HB3 . 18533 1 664 . 1 1 66 66 HIS HD2 H 1 6.93 0.02 . 1 . . . A 65 HIS HD2 . 18533 1 665 . 1 1 66 66 HIS HE1 H 1 8.25 0.02 . 1 . . . A 65 HIS HE1 . 18533 1 666 . 1 1 66 66 HIS CA C 13 55.50 0.05 . 1 . . . A 65 HIS CA . 18533 1 667 . 1 1 66 66 HIS CB C 13 30.32 0.05 . 1 . . . A 65 HIS CB . 18533 1 668 . 1 1 66 66 HIS CD2 C 13 121.77 0.05 . 1 . . . A 65 HIS CD2 . 18533 1 669 . 1 1 66 66 HIS CE1 C 13 135.94 0.05 . 1 . . . A 65 HIS CE1 . 18533 1 670 . 1 1 66 66 HIS N N 15 112.69 0.05 . 1 . . . A 65 HIS N . 18533 1 671 . 1 1 67 67 GLY H H 1 7.85 0.02 . 1 . . . A 66 GLY H . 18533 1 672 . 1 1 67 67 GLY HA2 H 1 3.94 0.02 . 2 . . . A 66 GLY HA2 . 18533 1 673 . 1 1 67 67 GLY HA3 H 1 3.78 0.02 . 2 . . . A 66 GLY HA3 . 18533 1 674 . 1 1 67 67 GLY CA C 13 46.36 0.05 . 1 . . . A 66 GLY CA . 18533 1 675 . 1 1 67 67 GLY N N 15 107.44 0.05 . 1 . . . A 66 GLY N . 18533 1 676 . 1 1 68 68 TYR H H 1 8.38 0.02 . 1 . . . A 67 TYR H . 18533 1 677 . 1 1 68 68 TYR HA H 1 4.80 0.02 . 1 . . . A 67 TYR HA . 18533 1 678 . 1 1 68 68 TYR HB2 H 1 2.64 0.02 . 2 . . . A 67 TYR HB2 . 18533 1 679 . 1 1 68 68 TYR HB3 H 1 2.82 0.02 . 2 . . . A 67 TYR HB3 . 18533 1 680 . 1 1 68 68 TYR HD1 H 1 7.08 0.02 . 3 . . . A 67 TYR HD1 . 18533 1 681 . 1 1 68 68 TYR HD2 H 1 7.08 0.02 . 3 . . . A 67 TYR HD2 . 18533 1 682 . 1 1 68 68 TYR HE1 H 1 7.16 0.02 . 3 . . . A 67 TYR HE1 . 18533 1 683 . 1 1 68 68 TYR HE2 H 1 7.16 0.02 . 3 . . . A 67 TYR HE2 . 18533 1 684 . 1 1 68 68 TYR CA C 13 57.10 0.05 . 1 . . . A 67 TYR CA . 18533 1 685 . 1 1 68 68 TYR CB C 13 39.86 0.05 . 1 . . . A 67 TYR CB . 18533 1 686 . 1 1 68 68 TYR CD1 C 13 133.39 0.05 . 3 . . . A 67 TYR CD1 . 18533 1 687 . 1 1 68 68 TYR CD2 C 13 133.39 0.05 . 3 . . . A 67 TYR CD2 . 18533 1 688 . 1 1 68 68 TYR CE1 C 13 118.62 0.05 . 3 . . . A 67 TYR CE1 . 18533 1 689 . 1 1 68 68 TYR CE2 C 13 118.62 0.05 . 3 . . . A 67 TYR CE2 . 18533 1 690 . 1 1 68 68 TYR N N 15 119.94 0.05 . 1 . . . A 67 TYR N . 18533 1 691 . 1 1 69 69 PRO HA H 1 4.56 0.02 . 1 . . . A 68 PRO HA . 18533 1 692 . 1 1 69 69 PRO HB2 H 1 2.49 0.02 . 2 . . . A 68 PRO HB2 . 18533 1 693 . 1 1 69 69 PRO HB3 H 1 2.05 0.02 . 2 . . . A 68 PRO HB3 . 18533 1 694 . 1 1 69 69 PRO HG2 H 1 2.22 0.02 . 2 . . . A 68 PRO HG2 . 18533 1 695 . 1 1 69 69 PRO HG3 H 1 2.10 0.02 . 2 . . . A 68 PRO HG3 . 18533 1 696 . 1 1 69 69 PRO HD2 H 1 4.08 0.02 . 2 . . . A 68 PRO HD2 . 18533 1 697 . 1 1 69 69 PRO HD3 H 1 3.58 0.02 . 2 . . . A 68 PRO HD3 . 18533 1 698 . 1 1 69 69 PRO CA C 13 62.60 0.05 . 1 . . . A 68 PRO CA . 18533 1 699 . 1 1 69 69 PRO CB C 13 32.81 0.05 . 1 . . . A 68 PRO CB . 18533 1 700 . 1 1 69 69 PRO CG C 13 27.86 0.05 . 1 . . . A 68 PRO CG . 18533 1 701 . 1 1 69 69 PRO CD C 13 50.79 0.05 . 1 . . . A 68 PRO CD . 18533 1 702 . 1 1 70 70 THR H H 1 7.86 0.02 . 1 . . . A 69 THR H . 18533 1 703 . 1 1 70 70 THR HA H 1 4.30 0.02 . 1 . . . A 69 THR HA . 18533 1 704 . 1 1 70 70 THR HB H 1 4.28 0.02 . 1 . . . A 69 THR HB . 18533 1 705 . 1 1 70 70 THR HG21 H 1 1.24 0.02 . 1 . . . A 69 THR HG21 . 18533 1 706 . 1 1 70 70 THR HG22 H 1 1.24 0.02 . 1 . . . A 69 THR HG22 . 18533 1 707 . 1 1 70 70 THR HG23 H 1 1.24 0.02 . 1 . . . A 69 THR HG23 . 18533 1 708 . 1 1 70 70 THR CA C 13 61.25 0.05 . 1 . . . A 69 THR CA . 18533 1 709 . 1 1 70 70 THR CB C 13 70.74 0.05 . 1 . . . A 69 THR CB . 18533 1 710 . 1 1 70 70 THR CG2 C 13 23.06 0.05 . 1 . . . A 69 THR CG2 . 18533 1 711 . 1 1 70 70 THR N N 15 100.66 0.05 . 1 . . . A 69 THR N . 18533 1 712 . 1 1 71 71 ASP H H 1 7.94 0.02 . 1 . . . A 70 ASP H . 18533 1 713 . 1 1 71 71 ASP HA H 1 4.41 0.02 . 1 . . . A 70 ASP HA . 18533 1 714 . 1 1 71 71 ASP HB2 H 1 2.61 0.02 . 2 . . . A 70 ASP HB2 . 18533 1 715 . 1 1 71 71 ASP HB3 H 1 2.61 0.02 . 2 . . . A 70 ASP HB3 . 18533 1 716 . 1 1 71 71 ASP CA C 13 55.87 0.05 . 1 . . . A 70 ASP CA . 18533 1 717 . 1 1 71 71 ASP CB C 13 40.97 0.05 . 1 . . . A 70 ASP CB . 18533 1 718 . 1 1 71 71 ASP N N 15 122.88 0.05 . 1 . . . A 70 ASP N . 18533 1 719 . 1 1 72 72 HIS H H 1 8.00 0.02 . 1 . . . A 71 HIS H . 18533 1 720 . 1 1 72 72 HIS HA H 1 4.70 0.02 . 1 . . . A 71 HIS HA . 18533 1 721 . 1 1 72 72 HIS HB2 H 1 2.80 0.02 . 2 . . . A 71 HIS HB2 . 18533 1 722 . 1 1 72 72 HIS HB3 H 1 2.80 0.02 . 2 . . . A 71 HIS HB3 . 18533 1 723 . 1 1 72 72 HIS HD2 H 1 6.38 0.02 . 1 . . . A 71 HIS HD2 . 18533 1 724 . 1 1 72 72 HIS HE1 H 1 7.69 0.02 . 1 . . . A 71 HIS HE1 . 18533 1 725 . 1 1 72 72 HIS HE2 H 1 10.57 0.02 . 1 . . . A 71 HIS HE2 . 18533 1 726 . 1 1 72 72 HIS CA C 13 57.39 0.05 . 1 . . . A 71 HIS CA . 18533 1 727 . 1 1 72 72 HIS CB C 13 35.34 0.05 . 1 . . . A 71 HIS CB . 18533 1 728 . 1 1 72 72 HIS CD2 C 13 115.54 0.05 . 1 . . . A 71 HIS CD2 . 18533 1 729 . 1 1 72 72 HIS CE1 C 13 139.38 0.05 . 1 . . . A 71 HIS CE1 . 18533 1 730 . 1 1 72 72 HIS N N 15 121.72 0.05 . 1 . . . A 71 HIS N . 18533 1 731 . 1 1 73 73 ARG H H 1 7.23 0.02 . 1 . . . A 72 ARG H . 18533 1 732 . 1 1 73 73 ARG HA H 1 4.29 0.02 . 1 . . . A 72 ARG HA . 18533 1 733 . 1 1 73 73 ARG HB2 H 1 1.44 0.02 . 2 . . . A 72 ARG HB2 . 18533 1 734 . 1 1 73 73 ARG HB3 H 1 1.49 0.02 . 2 . . . A 72 ARG HB3 . 18533 1 735 . 1 1 73 73 ARG HG2 H 1 1.40 0.02 . 2 . . . A 72 ARG HG2 . 18533 1 736 . 1 1 73 73 ARG HG3 H 1 1.48 0.02 . 2 . . . A 72 ARG HG3 . 18533 1 737 . 1 1 73 73 ARG HD2 H 1 3.17 0.02 . 2 . . . A 72 ARG HD2 . 18533 1 738 . 1 1 73 73 ARG HD3 H 1 3.12 0.02 . 2 . . . A 72 ARG HD3 . 18533 1 739 . 1 1 73 73 ARG CA C 13 54.43 0.05 . 1 . . . A 72 ARG CA . 18533 1 740 . 1 1 73 73 ARG CB C 13 32.31 0.05 . 1 . . . A 72 ARG CB . 18533 1 741 . 1 1 73 73 ARG CG C 13 27.02 0.05 . 1 . . . A 72 ARG CG . 18533 1 742 . 1 1 73 73 ARG CD C 13 43.30 0.05 . 1 . . . A 72 ARG CD . 18533 1 743 . 1 1 73 73 ARG N N 15 125.76 0.05 . 1 . . . A 72 ARG N . 18533 1 744 . 1 1 74 74 ALA H H 1 9.09 0.02 . 1 . . . A 73 ALA H . 18533 1 745 . 1 1 74 74 ALA HA H 1 4.63 0.02 . 1 . . . A 73 ALA HA . 18533 1 746 . 1 1 74 74 ALA HB1 H 1 1.41 0.02 . 1 . . . A 73 ALA HB1 . 18533 1 747 . 1 1 74 74 ALA HB2 H 1 1.41 0.02 . 1 . . . A 73 ALA HB2 . 18533 1 748 . 1 1 74 74 ALA HB3 H 1 1.41 0.02 . 1 . . . A 73 ALA HB3 . 18533 1 749 . 1 1 74 74 ALA CA C 13 52.18 0.05 . 1 . . . A 73 ALA CA . 18533 1 750 . 1 1 74 74 ALA CB C 13 18.90 0.05 . 1 . . . A 73 ALA CB . 18533 1 751 . 1 1 74 74 ALA N N 15 127.97 0.05 . 1 . . . A 73 ALA N . 18533 1 752 . 1 1 75 75 ALA H H 1 9.41 0.02 . 1 . . . A 74 ALA H . 18533 1 753 . 1 1 75 75 ALA HA H 1 4.79 0.02 . 1 . . . A 74 ALA HA . 18533 1 754 . 1 1 75 75 ALA HB1 H 1 1.50 0.02 . 1 . . . A 74 ALA HB1 . 18533 1 755 . 1 1 75 75 ALA HB2 H 1 1.50 0.02 . 1 . . . A 74 ALA HB2 . 18533 1 756 . 1 1 75 75 ALA HB3 H 1 1.50 0.02 . 1 . . . A 74 ALA HB3 . 18533 1 757 . 1 1 75 75 ALA CA C 13 50.97 0.05 . 1 . . . A 74 ALA CA . 18533 1 758 . 1 1 75 75 ALA CB C 13 23.62 0.05 . 1 . . . A 74 ALA CB . 18533 1 759 . 1 1 75 75 ALA N N 15 126.09 0.05 . 1 . . . A 74 ALA N . 18533 1 760 . 1 1 76 76 GLN H H 1 8.80 0.02 . 1 . . . A 75 GLN H . 18533 1 761 . 1 1 76 76 GLN HA H 1 4.95 0.02 . 1 . . . A 75 GLN HA . 18533 1 762 . 1 1 76 76 GLN HB2 H 1 1.85 0.02 . 2 . . . A 75 GLN HB2 . 18533 1 763 . 1 1 76 76 GLN HB3 H 1 1.49 0.02 . 2 . . . A 75 GLN HB3 . 18533 1 764 . 1 1 76 76 GLN HG2 H 1 2.55 0.02 . 2 . . . A 75 GLN HG2 . 18533 1 765 . 1 1 76 76 GLN HG3 H 1 2.20 0.02 . 2 . . . A 75 GLN HG3 . 18533 1 766 . 1 1 76 76 GLN HE21 H 1 7.20 0.02 . 2 . . . A 75 GLN HE21 . 18533 1 767 . 1 1 76 76 GLN HE22 H 1 6.76 0.02 . 2 . . . A 75 GLN HE22 . 18533 1 768 . 1 1 76 76 GLN CA C 13 53.55 0.05 . 1 . . . A 75 GLN CA . 18533 1 769 . 1 1 76 76 GLN CB C 13 30.05 0.05 . 1 . . . A 75 GLN CB . 18533 1 770 . 1 1 76 76 GLN CG C 13 33.54 0.05 . 1 . . . A 75 GLN CG . 18533 1 771 . 1 1 76 76 GLN N N 15 123.26 0.05 . 1 . . . A 75 GLN N . 18533 1 772 . 1 1 76 76 GLN NE2 N 15 110.00 0.05 . 1 . . . A 75 GLN NE2 . 18533 1 773 . 1 1 77 77 VAL H H 1 8.55 0.02 . 1 . . . A 76 VAL H . 18533 1 774 . 1 1 77 77 VAL HA H 1 3.30 0.02 . 1 . . . A 76 VAL HA . 18533 1 775 . 1 1 77 77 VAL HB H 1 1.64 0.02 . 1 . . . A 76 VAL HB . 18533 1 776 . 1 1 77 77 VAL HG11 H 1 0.72 0.02 . 2 . . . A 76 VAL HG11 . 18533 1 777 . 1 1 77 77 VAL HG12 H 1 0.72 0.02 . 2 . . . A 76 VAL HG12 . 18533 1 778 . 1 1 77 77 VAL HG13 H 1 0.72 0.02 . 2 . . . A 76 VAL HG13 . 18533 1 779 . 1 1 77 77 VAL HG21 H 1 0.62 0.02 . 2 . . . A 76 VAL HG21 . 18533 1 780 . 1 1 77 77 VAL HG22 H 1 0.62 0.02 . 2 . . . A 76 VAL HG22 . 18533 1 781 . 1 1 77 77 VAL HG23 H 1 0.62 0.02 . 2 . . . A 76 VAL HG23 . 18533 1 782 . 1 1 77 77 VAL CA C 13 63.58 0.05 . 1 . . . A 76 VAL CA . 18533 1 783 . 1 1 77 77 VAL CB C 13 32.49 0.05 . 1 . . . A 76 VAL CB . 18533 1 784 . 1 1 77 77 VAL CG1 C 13 21.80 0.05 . 1 . . . A 76 VAL CG1 . 18533 1 785 . 1 1 77 77 VAL CG2 C 13 22.66 0.05 . 1 . . . A 76 VAL CG2 . 18533 1 786 . 1 1 77 77 VAL N N 15 125.51 0.05 . 1 . . . A 76 VAL N . 18533 1 787 . 1 1 78 78 GLY H H 1 10.93 0.02 . 1 . . . A 77 GLY H . 18533 1 788 . 1 1 78 78 GLY HA2 H 1 4.64 0.02 . 2 . . . A 77 GLY HA2 . 18533 1 789 . 1 1 78 78 GLY HA3 H 1 4.02 0.02 . 2 . . . A 77 GLY HA3 . 18533 1 790 . 1 1 78 78 GLY CA C 13 43.84 0.05 . 1 . . . A 77 GLY CA . 18533 1 791 . 1 1 78 78 GLY N N 15 121.85 0.05 . 1 . . . A 77 GLY N . 18533 1 792 . 1 1 79 79 THR H H 1 8.54 0.02 . 1 . . . A 78 THR H . 18533 1 793 . 1 1 79 79 THR HA H 1 3.70 0.02 . 1 . . . A 78 THR HA . 18533 1 794 . 1 1 79 79 THR HB H 1 4.07 0.02 . 1 . . . A 78 THR HB . 18533 1 795 . 1 1 79 79 THR HG21 H 1 1.24 0.02 . 1 . . . A 78 THR HG21 . 18533 1 796 . 1 1 79 79 THR HG22 H 1 1.24 0.02 . 1 . . . A 78 THR HG22 . 18533 1 797 . 1 1 79 79 THR HG23 H 1 1.24 0.02 . 1 . . . A 78 THR HG23 . 18533 1 798 . 1 1 79 79 THR CA C 13 66.44 0.05 . 1 . . . A 78 THR CA . 18533 1 799 . 1 1 79 79 THR CB C 13 68.77 0.05 . 1 . . . A 78 THR CB . 18533 1 800 . 1 1 79 79 THR CG2 C 13 22.11 0.05 . 1 . . . A 78 THR CG2 . 18533 1 801 . 1 1 79 79 THR N N 15 115.21 0.05 . 1 . . . A 78 THR N . 18533 1 802 . 1 1 80 80 GLU H H 1 9.11 0.02 . 1 . . . A 79 GLU H . 18533 1 803 . 1 1 80 80 GLU HA H 1 3.96 0.02 . 1 . . . A 79 GLU HA . 18533 1 804 . 1 1 80 80 GLU HB2 H 1 1.58 0.02 . 2 . . . A 79 GLU HB2 . 18533 1 805 . 1 1 80 80 GLU HB3 H 1 1.67 0.02 . 2 . . . A 79 GLU HB3 . 18533 1 806 . 1 1 80 80 GLU HG2 H 1 1.88 0.02 . 2 . . . A 79 GLU HG2 . 18533 1 807 . 1 1 80 80 GLU HG3 H 1 1.74 0.02 . 2 . . . A 79 GLU HG3 . 18533 1 808 . 1 1 80 80 GLU CA C 13 59.03 0.05 . 1 . . . A 79 GLU CA . 18533 1 809 . 1 1 80 80 GLU CB C 13 29.06 0.05 . 1 . . . A 79 GLU CB . 18533 1 810 . 1 1 80 80 GLU CG C 13 35.59 0.05 . 1 . . . A 79 GLU CG . 18533 1 811 . 1 1 80 80 GLU N N 15 119.36 0.05 . 1 . . . A 79 GLU N . 18533 1 812 . 1 1 81 81 HIS H H 1 7.04 0.02 . 1 . . . A 80 HIS H . 18533 1 813 . 1 1 81 81 HIS HA H 1 3.94 0.02 . 1 . . . A 80 HIS HA . 18533 1 814 . 1 1 81 81 HIS HB2 H 1 3.03 0.02 . 2 . . . A 80 HIS HB2 . 18533 1 815 . 1 1 81 81 HIS HB3 H 1 2.94 0.02 . 2 . . . A 80 HIS HB3 . 18533 1 816 . 1 1 81 81 HIS HD2 H 1 7.06 0.02 . 1 . . . A 80 HIS HD2 . 18533 1 817 . 1 1 81 81 HIS HE1 H 1 7.54 0.02 . 1 . . . A 80 HIS HE1 . 18533 1 818 . 1 1 81 81 HIS CA C 13 60.42 0.05 . 1 . . . A 80 HIS CA . 18533 1 819 . 1 1 81 81 HIS CB C 13 30.93 0.05 . 1 . . . A 80 HIS CB . 18533 1 820 . 1 1 81 81 HIS CD2 C 13 116.39 0.05 . 1 . . . A 80 HIS CD2 . 18533 1 821 . 1 1 81 81 HIS CE1 C 13 138.39 0.05 . 1 . . . A 80 HIS CE1 . 18533 1 822 . 1 1 81 81 HIS N N 15 118.38 0.05 . 1 . . . A 80 HIS N . 18533 1 823 . 1 1 82 82 LEU H H 1 7.85 0.02 . 1 . . . A 81 LEU H . 18533 1 824 . 1 1 82 82 LEU HA H 1 3.90 0.02 . 1 . . . A 81 LEU HA . 18533 1 825 . 1 1 82 82 LEU HB2 H 1 1.65 0.02 . 2 . . . A 81 LEU HB2 . 18533 1 826 . 1 1 82 82 LEU HB3 H 1 1.38 0.02 . 2 . . . A 81 LEU HB3 . 18533 1 827 . 1 1 82 82 LEU HG H 1 1.64 0.02 . 1 . . . A 81 LEU HG . 18533 1 828 . 1 1 82 82 LEU HD11 H 1 0.75 0.02 . 2 . . . A 81 LEU HD11 . 18533 1 829 . 1 1 82 82 LEU HD12 H 1 0.75 0.02 . 2 . . . A 81 LEU HD12 . 18533 1 830 . 1 1 82 82 LEU HD13 H 1 0.75 0.02 . 2 . . . A 81 LEU HD13 . 18533 1 831 . 1 1 82 82 LEU HD21 H 1 0.56 0.02 . 2 . . . A 81 LEU HD21 . 18533 1 832 . 1 1 82 82 LEU HD22 H 1 0.56 0.02 . 2 . . . A 81 LEU HD22 . 18533 1 833 . 1 1 82 82 LEU HD23 H 1 0.56 0.02 . 2 . . . A 81 LEU HD23 . 18533 1 834 . 1 1 82 82 LEU CA C 13 56.68 0.05 . 1 . . . A 81 LEU CA . 18533 1 835 . 1 1 82 82 LEU CB C 13 40.73 0.05 . 1 . . . A 81 LEU CB . 18533 1 836 . 1 1 82 82 LEU CG C 13 26.63 0.05 . 1 . . . A 81 LEU CG . 18533 1 837 . 1 1 82 82 LEU CD1 C 13 25.44 0.05 . 1 . . . A 81 LEU CD1 . 18533 1 838 . 1 1 82 82 LEU CD2 C 13 22.58 0.05 . 1 . . . A 81 LEU CD2 . 18533 1 839 . 1 1 82 82 LEU N N 15 114.01 0.05 . 1 . . . A 81 LEU N . 18533 1 840 . 1 1 83 83 ALA H H 1 6.95 0.02 . 1 . . . A 82 ALA H . 18533 1 841 . 1 1 83 83 ALA HA H 1 4.39 0.02 . 1 . . . A 82 ALA HA . 18533 1 842 . 1 1 83 83 ALA HB1 H 1 1.38 0.02 . 1 . . . A 82 ALA HB1 . 18533 1 843 . 1 1 83 83 ALA HB2 H 1 1.38 0.02 . 1 . . . A 82 ALA HB2 . 18533 1 844 . 1 1 83 83 ALA HB3 H 1 1.38 0.02 . 1 . . . A 82 ALA HB3 . 18533 1 845 . 1 1 83 83 ALA CA C 13 51.20 0.05 . 1 . . . A 82 ALA CA . 18533 1 846 . 1 1 83 83 ALA CB C 13 19.18 0.05 . 1 . . . A 82 ALA CB . 18533 1 847 . 1 1 83 83 ALA N N 15 119.05 0.05 . 1 . . . A 82 ALA N . 18533 1 848 . 1 1 84 84 ALA H H 1 7.28 0.02 . 1 . . . A 83 ALA H . 18533 1 849 . 1 1 84 84 ALA HA H 1 3.76 0.02 . 1 . . . A 83 ALA HA . 18533 1 850 . 1 1 84 84 ALA HB1 H 1 0.74 0.02 . 1 . . . A 83 ALA HB1 . 18533 1 851 . 1 1 84 84 ALA HB2 H 1 0.74 0.02 . 1 . . . A 83 ALA HB2 . 18533 1 852 . 1 1 84 84 ALA HB3 H 1 0.74 0.02 . 1 . . . A 83 ALA HB3 . 18533 1 853 . 1 1 84 84 ALA CA C 13 53.35 0.05 . 1 . . . A 83 ALA CA . 18533 1 854 . 1 1 84 84 ALA CB C 13 17.32 0.05 . 1 . . . A 83 ALA CB . 18533 1 855 . 1 1 84 84 ALA N N 15 122.50 0.05 . 1 . . . A 83 ALA N . 18533 1 856 . 1 1 85 85 ASP H H 1 8.44 0.02 . 1 . . . A 84 ASP H . 18533 1 857 . 1 1 85 85 ASP HA H 1 4.41 0.02 . 1 . . . A 84 ASP HA . 18533 1 858 . 1 1 85 85 ASP HB2 H 1 2.67 0.02 . 2 . . . A 84 ASP HB2 . 18533 1 859 . 1 1 85 85 ASP HB3 H 1 2.74 0.02 . 2 . . . A 84 ASP HB3 . 18533 1 860 . 1 1 85 85 ASP CA C 13 57.64 0.05 . 1 . . . A 84 ASP CA . 18533 1 861 . 1 1 85 85 ASP CB C 13 42.90 0.05 . 1 . . . A 84 ASP CB . 18533 1 862 . 1 1 85 85 ASP N N 15 118.74 0.05 . 1 . . . A 84 ASP N . 18533 1 863 . 1 1 86 86 LEU H H 1 7.28 0.02 . 1 . . . A 85 LEU H . 18533 1 864 . 1 1 86 86 LEU HA H 1 4.18 0.02 . 1 . . . A 85 LEU HA . 18533 1 865 . 1 1 86 86 LEU HB2 H 1 1.02 0.02 . 2 . . . A 85 LEU HB2 . 18533 1 866 . 1 1 86 86 LEU HB3 H 1 0.83 0.02 . 2 . . . A 85 LEU HB3 . 18533 1 867 . 1 1 86 86 LEU HG H 1 0.71 0.02 . 1 . . . A 85 LEU HG . 18533 1 868 . 1 1 86 86 LEU HD11 H 1 -0.79 0.02 . 2 . . . A 85 LEU HD11 . 18533 1 869 . 1 1 86 86 LEU HD12 H 1 -0.79 0.02 . 2 . . . A 85 LEU HD12 . 18533 1 870 . 1 1 86 86 LEU HD13 H 1 -0.79 0.02 . 2 . . . A 85 LEU HD13 . 18533 1 871 . 1 1 86 86 LEU HD21 H 1 0.37 0.02 . 2 . . . A 85 LEU HD21 . 18533 1 872 . 1 1 86 86 LEU HD22 H 1 0.37 0.02 . 2 . . . A 85 LEU HD22 . 18533 1 873 . 1 1 86 86 LEU HD23 H 1 0.37 0.02 . 2 . . . A 85 LEU HD23 . 18533 1 874 . 1 1 86 86 LEU CA C 13 55.04 0.05 . 1 . . . A 85 LEU CA . 18533 1 875 . 1 1 86 86 LEU CB C 13 45.17 0.05 . 1 . . . A 85 LEU CB . 18533 1 876 . 1 1 86 86 LEU CG C 13 26.14 0.05 . 1 . . . A 85 LEU CG . 18533 1 877 . 1 1 86 86 LEU CD1 C 13 24.80 0.05 . 1 . . . A 85 LEU CD1 . 18533 1 878 . 1 1 86 86 LEU CD2 C 13 21.19 0.05 . 1 . . . A 85 LEU CD2 . 18533 1 879 . 1 1 86 86 LEU N N 15 115.18 0.05 . 1 . . . A 85 LEU N . 18533 1 880 . 1 1 87 87 LEU H H 1 8.78 0.02 . 1 . . . A 86 LEU H . 18533 1 881 . 1 1 87 87 LEU HA H 1 4.69 0.02 . 1 . . . A 86 LEU HA . 18533 1 882 . 1 1 87 87 LEU HB2 H 1 1.66 0.02 . 2 . . . A 86 LEU HB2 . 18533 1 883 . 1 1 87 87 LEU HB3 H 1 1.12 0.02 . 2 . . . A 86 LEU HB3 . 18533 1 884 . 1 1 87 87 LEU HG H 1 1.47 0.02 . 1 . . . A 86 LEU HG . 18533 1 885 . 1 1 87 87 LEU HD11 H 1 0.73 0.02 . 2 . . . A 86 LEU HD11 . 18533 1 886 . 1 1 87 87 LEU HD12 H 1 0.73 0.02 . 2 . . . A 86 LEU HD12 . 18533 1 887 . 1 1 87 87 LEU HD13 H 1 0.73 0.02 . 2 . . . A 86 LEU HD13 . 18533 1 888 . 1 1 87 87 LEU HD21 H 1 0.78 0.02 . 2 . . . A 86 LEU HD21 . 18533 1 889 . 1 1 87 87 LEU HD22 H 1 0.78 0.02 . 2 . . . A 86 LEU HD22 . 18533 1 890 . 1 1 87 87 LEU HD23 H 1 0.78 0.02 . 2 . . . A 86 LEU HD23 . 18533 1 891 . 1 1 87 87 LEU CA C 13 55.38 0.05 . 1 . . . A 86 LEU CA . 18533 1 892 . 1 1 87 87 LEU CB C 13 42.17 0.05 . 1 . . . A 86 LEU CB . 18533 1 893 . 1 1 87 87 LEU CG C 13 29.73 0.05 . 1 . . . A 86 LEU CG . 18533 1 894 . 1 1 87 87 LEU CD1 C 13 29.07 0.05 . 1 . . . A 86 LEU CD1 . 18533 1 895 . 1 1 87 87 LEU CD2 C 13 26.34 0.05 . 1 . . . A 86 LEU CD2 . 18533 1 896 . 1 1 87 87 LEU N N 15 128.14 0.05 . 1 . . . A 86 LEU N . 18533 1 897 . 1 1 88 88 VAL H H 1 9.01 0.02 . 1 . . . A 87 VAL H . 18533 1 898 . 1 1 88 88 VAL HA H 1 4.63 0.02 . 1 . . . A 87 VAL HA . 18533 1 899 . 1 1 88 88 VAL HB H 1 1.61 0.02 . 1 . . . A 87 VAL HB . 18533 1 900 . 1 1 88 88 VAL HG11 H 1 0.74 0.02 . 2 . . . A 87 VAL HG11 . 18533 1 901 . 1 1 88 88 VAL HG12 H 1 0.74 0.02 . 2 . . . A 87 VAL HG12 . 18533 1 902 . 1 1 88 88 VAL HG13 H 1 0.74 0.02 . 2 . . . A 87 VAL HG13 . 18533 1 903 . 1 1 88 88 VAL HG21 H 1 0.03 0.02 . 2 . . . A 87 VAL HG21 . 18533 1 904 . 1 1 88 88 VAL HG22 H 1 0.03 0.02 . 2 . . . A 87 VAL HG22 . 18533 1 905 . 1 1 88 88 VAL HG23 H 1 0.03 0.02 . 2 . . . A 87 VAL HG23 . 18533 1 906 . 1 1 88 88 VAL CA C 13 59.91 0.05 . 1 . . . A 87 VAL CA . 18533 1 907 . 1 1 88 88 VAL CB C 13 30.84 0.05 . 1 . . . A 87 VAL CB . 18533 1 908 . 1 1 88 88 VAL CG1 C 13 22.79 0.05 . 1 . . . A 87 VAL CG1 . 18533 1 909 . 1 1 88 88 VAL CG2 C 13 20.83 0.05 . 1 . . . A 87 VAL CG2 . 18533 1 910 . 1 1 88 88 VAL N N 15 122.63 0.05 . 1 . . . A 87 VAL N . 18533 1 911 . 1 1 89 89 ALA H H 1 8.59 0.02 . 1 . . . A 88 ALA H . 18533 1 912 . 1 1 89 89 ALA HA H 1 4.52 0.02 . 1 . . . A 88 ALA HA . 18533 1 913 . 1 1 89 89 ALA HB1 H 1 1.37 0.02 . 1 . . . A 88 ALA HB1 . 18533 1 914 . 1 1 89 89 ALA HB2 H 1 1.37 0.02 . 1 . . . A 88 ALA HB2 . 18533 1 915 . 1 1 89 89 ALA HB3 H 1 1.37 0.02 . 1 . . . A 88 ALA HB3 . 18533 1 916 . 1 1 89 89 ALA CA C 13 50.78 0.05 . 1 . . . A 88 ALA CA . 18533 1 917 . 1 1 89 89 ALA CB C 13 20.78 0.05 . 1 . . . A 88 ALA CB . 18533 1 918 . 1 1 89 89 ALA N N 15 129.82 0.05 . 1 . . . A 88 ALA N . 18533 1 919 . 1 1 90 90 LEU H H 1 8.57 0.02 . 1 . . . A 89 LEU H . 18533 1 920 . 1 1 90 90 LEU HA H 1 4.31 0.02 . 1 . . . A 89 LEU HA . 18533 1 921 . 1 1 90 90 LEU HB2 H 1 2.59 0.02 . 2 . . . A 89 LEU HB2 . 18533 1 922 . 1 1 90 90 LEU HB3 H 1 1.62 0.02 . 2 . . . A 89 LEU HB3 . 18533 1 923 . 1 1 90 90 LEU HD11 H 1 0.84 0.02 . 2 . . . A 89 LEU HD11 . 18533 1 924 . 1 1 90 90 LEU HD12 H 1 0.84 0.02 . 2 . . . A 89 LEU HD12 . 18533 1 925 . 1 1 90 90 LEU HD13 H 1 0.84 0.02 . 2 . . . A 89 LEU HD13 . 18533 1 926 . 1 1 90 90 LEU HD21 H 1 0.84 0.02 . 2 . . . A 89 LEU HD21 . 18533 1 927 . 1 1 90 90 LEU HD22 H 1 0.84 0.02 . 2 . . . A 89 LEU HD22 . 18533 1 928 . 1 1 90 90 LEU HD23 H 1 0.84 0.02 . 2 . . . A 89 LEU HD23 . 18533 1 929 . 1 1 90 90 LEU CA C 13 55.45 0.05 . 1 . . . A 89 LEU CA . 18533 1 930 . 1 1 90 90 LEU CB C 13 38.02 0.05 . 1 . . . A 89 LEU CB . 18533 1 931 . 1 1 90 90 LEU CD1 C 13 25.91 0.05 . 2 . . . A 89 LEU CD1 . 18533 1 932 . 1 1 90 90 LEU CD2 C 13 25.91 0.05 . 2 . . . A 89 LEU CD2 . 18533 1 933 . 1 1 90 90 LEU N N 15 129.28 0.05 . 1 . . . A 89 LEU N . 18533 1 934 . 1 1 91 91 ASP H H 1 11.45 0.02 . 1 . . . A 90 ASP H . 18533 1 935 . 1 1 91 91 ASP HA H 1 4.80 0.02 . 1 . . . A 90 ASP HA . 18533 1 936 . 1 1 91 91 ASP HB2 H 1 2.98 0.02 . 2 . . . A 90 ASP HB2 . 18533 1 937 . 1 1 91 91 ASP HB3 H 1 2.48 0.02 . 2 . . . A 90 ASP HB3 . 18533 1 938 . 1 1 91 91 ASP CA C 13 52.95 0.05 . 1 . . . A 90 ASP CA . 18533 1 939 . 1 1 91 91 ASP CB C 13 43.81 0.05 . 1 . . . A 90 ASP CB . 18533 1 940 . 1 1 91 91 ASP N N 15 126.91 0.05 . 1 . . . A 90 ASP N . 18533 1 941 . 1 1 92 92 ARG H H 1 8.65 0.02 . 1 . . . A 91 ARG H . 18533 1 942 . 1 1 92 92 ARG HA H 1 4.02 0.02 . 1 . . . A 91 ARG HA . 18533 1 943 . 1 1 92 92 ARG HB2 H 1 1.87 0.02 . 2 . . . A 91 ARG HB2 . 18533 1 944 . 1 1 92 92 ARG HB3 H 1 1.87 0.02 . 2 . . . A 91 ARG HB3 . 18533 1 945 . 1 1 92 92 ARG HG2 H 1 1.74 0.02 . 2 . . . A 91 ARG HG2 . 18533 1 946 . 1 1 92 92 ARG HG3 H 1 1.62 0.02 . 2 . . . A 91 ARG HG3 . 18533 1 947 . 1 1 92 92 ARG HD2 H 1 3.16 0.02 . 2 . . . A 91 ARG HD2 . 18533 1 948 . 1 1 92 92 ARG HD3 H 1 3.16 0.02 . 2 . . . A 91 ARG HD3 . 18533 1 949 . 1 1 92 92 ARG CA C 13 58.83 0.05 . 1 . . . A 91 ARG CA . 18533 1 950 . 1 1 92 92 ARG CB C 13 30.28 0.05 . 1 . . . A 91 ARG CB . 18533 1 951 . 1 1 92 92 ARG CG C 13 26.74 0.05 . 1 . . . A 91 ARG CG . 18533 1 952 . 1 1 92 92 ARG CD C 13 43.47 0.05 . 1 . . . A 91 ARG CD . 18533 1 953 . 1 1 92 92 ARG N N 15 116.95 0.05 . 1 . . . A 91 ARG N . 18533 1 954 . 1 1 93 93 ASN H H 1 8.61 0.02 . 1 . . . A 92 ASN H . 18533 1 955 . 1 1 93 93 ASN HA H 1 4.38 0.02 . 1 . . . A 92 ASN HA . 18533 1 956 . 1 1 93 93 ASN HB2 H 1 2.80 0.02 . 2 . . . A 92 ASN HB2 . 18533 1 957 . 1 1 93 93 ASN HB3 H 1 2.57 0.02 . 2 . . . A 92 ASN HB3 . 18533 1 958 . 1 1 93 93 ASN HD21 H 1 7.51 0.02 . 2 . . . A 92 ASN HD21 . 18533 1 959 . 1 1 93 93 ASN HD22 H 1 7.03 0.02 . 2 . . . A 92 ASN HD22 . 18533 1 960 . 1 1 93 93 ASN CA C 13 56.13 0.05 . 1 . . . A 92 ASN CA . 18533 1 961 . 1 1 93 93 ASN CB C 13 37.62 0.05 . 1 . . . A 92 ASN CB . 18533 1 962 . 1 1 93 93 ASN N N 15 120.74 0.05 . 1 . . . A 92 ASN N . 18533 1 963 . 1 1 93 93 ASN ND2 N 15 115.19 0.05 . 1 . . . A 92 ASN ND2 . 18533 1 964 . 1 1 94 94 HIS H H 1 7.43 0.02 . 1 . . . A 93 HIS H . 18533 1 965 . 1 1 94 94 HIS HA H 1 4.19 0.02 . 1 . . . A 93 HIS HA . 18533 1 966 . 1 1 94 94 HIS HB2 H 1 3.43 0.02 . 2 . . . A 93 HIS HB2 . 18533 1 967 . 1 1 94 94 HIS HB3 H 1 2.95 0.02 . 2 . . . A 93 HIS HB3 . 18533 1 968 . 1 1 94 94 HIS HD2 H 1 6.84 0.02 . 1 . . . A 93 HIS HD2 . 18533 1 969 . 1 1 94 94 HIS HE1 H 1 7.25 0.02 . 1 . . . A 93 HIS HE1 . 18533 1 970 . 1 1 94 94 HIS CA C 13 59.51 0.05 . 1 . . . A 93 HIS CA . 18533 1 971 . 1 1 94 94 HIS CB C 13 31.38 0.05 . 1 . . . A 93 HIS CB . 18533 1 972 . 1 1 94 94 HIS CD2 C 13 116.79 0.05 . 1 . . . A 93 HIS CD2 . 18533 1 973 . 1 1 94 94 HIS CE1 C 13 135.00 0.05 . 1 . . . A 93 HIS CE1 . 18533 1 974 . 1 1 94 94 HIS N N 15 121.17 0.05 . 1 . . . A 93 HIS N . 18533 1 975 . 1 1 95 95 ALA H H 1 7.19 0.02 . 1 . . . A 94 ALA H . 18533 1 976 . 1 1 95 95 ALA HA H 1 3.74 0.02 . 1 . . . A 94 ALA HA . 18533 1 977 . 1 1 95 95 ALA HB1 H 1 1.29 0.02 . 1 . . . A 94 ALA HB1 . 18533 1 978 . 1 1 95 95 ALA HB2 H 1 1.29 0.02 . 1 . . . A 94 ALA HB2 . 18533 1 979 . 1 1 95 95 ALA HB3 H 1 1.29 0.02 . 1 . . . A 94 ALA HB3 . 18533 1 980 . 1 1 95 95 ALA CA C 13 55.50 0.05 . 1 . . . A 94 ALA CA . 18533 1 981 . 1 1 95 95 ALA CB C 13 17.97 0.05 . 1 . . . A 94 ALA CB . 18533 1 982 . 1 1 95 95 ALA N N 15 118.27 0.05 . 1 . . . A 94 ALA N . 18533 1 983 . 1 1 96 96 ARG H H 1 7.60 0.02 . 1 . . . A 95 ARG H . 18533 1 984 . 1 1 96 96 ARG HA H 1 3.91 0.02 . 1 . . . A 95 ARG HA . 18533 1 985 . 1 1 96 96 ARG HB2 H 1 1.94 0.02 . 2 . . . A 95 ARG HB2 . 18533 1 986 . 1 1 96 96 ARG HB3 H 1 1.90 0.02 . 2 . . . A 95 ARG HB3 . 18533 1 987 . 1 1 96 96 ARG HG2 H 1 1.73 0.02 . 2 . . . A 95 ARG HG2 . 18533 1 988 . 1 1 96 96 ARG HG3 H 1 1.50 0.02 . 2 . . . A 95 ARG HG3 . 18533 1 989 . 1 1 96 96 ARG HD2 H 1 3.19 0.02 . 2 . . . A 95 ARG HD2 . 18533 1 990 . 1 1 96 96 ARG HD3 H 1 3.19 0.02 . 2 . . . A 95 ARG HD3 . 18533 1 991 . 1 1 96 96 ARG CA C 13 59.50 0.05 . 1 . . . A 95 ARG CA . 18533 1 992 . 1 1 96 96 ARG CB C 13 30.23 0.05 . 1 . . . A 95 ARG CB . 18533 1 993 . 1 1 96 96 ARG CG C 13 27.47 0.05 . 1 . . . A 95 ARG CG . 18533 1 994 . 1 1 96 96 ARG CD C 13 43.29 0.05 . 1 . . . A 95 ARG CD . 18533 1 995 . 1 1 96 96 ARG N N 15 117.19 0.05 . 1 . . . A 95 ARG N . 18533 1 996 . 1 1 97 97 LEU H H 1 7.99 0.02 . 1 . . . A 96 LEU H . 18533 1 997 . 1 1 97 97 LEU HA H 1 4.08 0.02 . 1 . . . A 96 LEU HA . 18533 1 998 . 1 1 97 97 LEU HB2 H 1 1.90 0.02 . 2 . . . A 96 LEU HB2 . 18533 1 999 . 1 1 97 97 LEU HB3 H 1 1.63 0.02 . 2 . . . A 96 LEU HB3 . 18533 1 1000 . 1 1 97 97 LEU HG H 1 1.81 0.02 . 1 . . . A 96 LEU HG . 18533 1 1001 . 1 1 97 97 LEU HD11 H 1 0.93 0.02 . 2 . . . A 96 LEU HD11 . 18533 1 1002 . 1 1 97 97 LEU HD12 H 1 0.93 0.02 . 2 . . . A 96 LEU HD12 . 18533 1 1003 . 1 1 97 97 LEU HD13 H 1 0.93 0.02 . 2 . . . A 96 LEU HD13 . 18533 1 1004 . 1 1 97 97 LEU HD21 H 1 0.94 0.02 . 2 . . . A 96 LEU HD21 . 18533 1 1005 . 1 1 97 97 LEU HD22 H 1 0.94 0.02 . 2 . . . A 96 LEU HD22 . 18533 1 1006 . 1 1 97 97 LEU HD23 H 1 0.94 0.02 . 2 . . . A 96 LEU HD23 . 18533 1 1007 . 1 1 97 97 LEU CA C 13 57.90 0.05 . 1 . . . A 96 LEU CA . 18533 1 1008 . 1 1 97 97 LEU CB C 13 41.34 0.05 . 1 . . . A 96 LEU CB . 18533 1 1009 . 1 1 97 97 LEU CG C 13 27.51 0.05 . 1 . . . A 96 LEU CG . 18533 1 1010 . 1 1 97 97 LEU CD1 C 13 23.26 0.05 . 1 . . . A 96 LEU CD1 . 18533 1 1011 . 1 1 97 97 LEU CD2 C 13 24.94 0.05 . 1 . . . A 96 LEU CD2 . 18533 1 1012 . 1 1 97 97 LEU N N 15 120.70 0.05 . 1 . . . A 96 LEU N . 18533 1 1013 . 1 1 98 98 LEU H H 1 8.21 0.02 . 1 . . . A 97 LEU H . 18533 1 1014 . 1 1 98 98 LEU HA H 1 3.91 0.02 . 1 . . . A 97 LEU HA . 18533 1 1015 . 1 1 98 98 LEU HB2 H 1 1.93 0.02 . 2 . . . A 97 LEU HB2 . 18533 1 1016 . 1 1 98 98 LEU HB3 H 1 1.03 0.02 . 2 . . . A 97 LEU HB3 . 18533 1 1017 . 1 1 98 98 LEU HG H 1 2.02 0.02 . 1 . . . A 97 LEU HG . 18533 1 1018 . 1 1 98 98 LEU HD11 H 1 0.72 0.02 . 2 . . . A 97 LEU HD11 . 18533 1 1019 . 1 1 98 98 LEU HD12 H 1 0.72 0.02 . 2 . . . A 97 LEU HD12 . 18533 1 1020 . 1 1 98 98 LEU HD13 H 1 0.72 0.02 . 2 . . . A 97 LEU HD13 . 18533 1 1021 . 1 1 98 98 LEU HD21 H 1 0.67 0.02 . 2 . . . A 97 LEU HD21 . 18533 1 1022 . 1 1 98 98 LEU HD22 H 1 0.67 0.02 . 2 . . . A 97 LEU HD22 . 18533 1 1023 . 1 1 98 98 LEU HD23 H 1 0.67 0.02 . 2 . . . A 97 LEU HD23 . 18533 1 1024 . 1 1 98 98 LEU CA C 13 58.10 0.05 . 1 . . . A 97 LEU CA . 18533 1 1025 . 1 1 98 98 LEU CB C 13 41.89 0.05 . 1 . . . A 97 LEU CB . 18533 1 1026 . 1 1 98 98 LEU CG C 13 26.55 0.05 . 1 . . . A 97 LEU CG . 18533 1 1027 . 1 1 98 98 LEU CD1 C 13 21.81 0.05 . 1 . . . A 97 LEU CD1 . 18533 1 1028 . 1 1 98 98 LEU CD2 C 13 25.43 0.05 . 1 . . . A 97 LEU CD2 . 18533 1 1029 . 1 1 98 98 LEU N N 15 118.39 0.05 . 1 . . . A 97 LEU N . 18533 1 1030 . 1 1 99 99 ARG H H 1 7.74 0.02 . 1 . . . A 98 ARG H . 18533 1 1031 . 1 1 99 99 ARG HA H 1 4.48 0.02 . 1 . . . A 98 ARG HA . 18533 1 1032 . 1 1 99 99 ARG HB2 H 1 2.00 0.02 . 2 . . . A 98 ARG HB2 . 18533 1 1033 . 1 1 99 99 ARG HB3 H 1 1.87 0.02 . 2 . . . A 98 ARG HB3 . 18533 1 1034 . 1 1 99 99 ARG HG2 H 1 1.60 0.02 . 2 . . . A 98 ARG HG2 . 18533 1 1035 . 1 1 99 99 ARG HG3 H 1 1.85 0.02 . 2 . . . A 98 ARG HG3 . 18533 1 1036 . 1 1 99 99 ARG HD2 H 1 3.17 0.02 . 2 . . . A 98 ARG HD2 . 18533 1 1037 . 1 1 99 99 ARG HD3 H 1 3.28 0.02 . 2 . . . A 98 ARG HD3 . 18533 1 1038 . 1 1 99 99 ARG CA C 13 58.36 0.05 . 1 . . . A 98 ARG CA . 18533 1 1039 . 1 1 99 99 ARG CB C 13 28.74 0.05 . 1 . . . A 98 ARG CB . 18533 1 1040 . 1 1 99 99 ARG CG C 13 27.44 0.05 . 1 . . . A 98 ARG CG . 18533 1 1041 . 1 1 99 99 ARG CD C 13 41.90 0.05 . 1 . . . A 98 ARG CD . 18533 1 1042 . 1 1 99 99 ARG N N 15 117.47 0.05 . 1 . . . A 98 ARG N . 18533 1 1043 . 1 1 100 100 GLN H H 1 8.03 0.02 . 1 . . . A 99 GLN H . 18533 1 1044 . 1 1 100 100 GLN HA H 1 4.07 0.02 . 1 . . . A 99 GLN HA . 18533 1 1045 . 1 1 100 100 GLN HB2 H 1 2.23 0.02 . 2 . . . A 99 GLN HB2 . 18533 1 1046 . 1 1 100 100 GLN HB3 H 1 2.31 0.02 . 2 . . . A 99 GLN HB3 . 18533 1 1047 . 1 1 100 100 GLN HG2 H 1 2.40 0.02 . 2 . . . A 99 GLN HG2 . 18533 1 1048 . 1 1 100 100 GLN HG3 H 1 2.55 0.02 . 2 . . . A 99 GLN HG3 . 18533 1 1049 . 1 1 100 100 GLN HE21 H 1 7.40 0.02 . 2 . . . A 99 GLN HE21 . 18533 1 1050 . 1 1 100 100 GLN HE22 H 1 6.75 0.02 . 2 . . . A 99 GLN HE22 . 18533 1 1051 . 1 1 100 100 GLN CA C 13 58.68 0.05 . 1 . . . A 99 GLN CA . 18533 1 1052 . 1 1 100 100 GLN CB C 13 28.32 0.05 . 1 . . . A 99 GLN CB . 18533 1 1053 . 1 1 100 100 GLN CG C 13 34.34 0.05 . 1 . . . A 99 GLN CG . 18533 1 1054 . 1 1 100 100 GLN N N 15 121.40 0.05 . 1 . . . A 99 GLN N . 18533 1 1055 . 1 1 100 100 GLN NE2 N 15 110.31 0.05 . 1 . . . A 99 GLN NE2 . 18533 1 1056 . 1 1 101 101 LEU H H 1 7.78 0.02 . 1 . . . A 100 LEU H . 18533 1 1057 . 1 1 101 101 LEU HA H 1 4.26 0.02 . 1 . . . A 100 LEU HA . 18533 1 1058 . 1 1 101 101 LEU HB2 H 1 1.95 0.02 . 2 . . . A 100 LEU HB2 . 18533 1 1059 . 1 1 101 101 LEU HB3 H 1 1.66 0.02 . 2 . . . A 100 LEU HB3 . 18533 1 1060 . 1 1 101 101 LEU HG H 1 1.89 0.02 . 1 . . . A 100 LEU HG . 18533 1 1061 . 1 1 101 101 LEU HD11 H 1 0.83 0.02 . 2 . . . A 100 LEU HD11 . 18533 1 1062 . 1 1 101 101 LEU HD12 H 1 0.83 0.02 . 2 . . . A 100 LEU HD12 . 18533 1 1063 . 1 1 101 101 LEU HD13 H 1 0.83 0.02 . 2 . . . A 100 LEU HD13 . 18533 1 1064 . 1 1 101 101 LEU HD21 H 1 0.81 0.02 . 2 . . . A 100 LEU HD21 . 18533 1 1065 . 1 1 101 101 LEU HD22 H 1 0.81 0.02 . 2 . . . A 100 LEU HD22 . 18533 1 1066 . 1 1 101 101 LEU HD23 H 1 0.81 0.02 . 2 . . . A 100 LEU HD23 . 18533 1 1067 . 1 1 101 101 LEU CA C 13 55.46 0.05 . 1 . . . A 100 LEU CA . 18533 1 1068 . 1 1 101 101 LEU CB C 13 42.24 0.05 . 1 . . . A 100 LEU CB . 18533 1 1069 . 1 1 101 101 LEU CG C 13 26.41 0.05 . 1 . . . A 100 LEU CG . 18533 1 1070 . 1 1 101 101 LEU CD1 C 13 22.35 0.05 . 1 . . . A 100 LEU CD1 . 18533 1 1071 . 1 1 101 101 LEU CD2 C 13 25.69 0.05 . 1 . . . A 100 LEU CD2 . 18533 1 1072 . 1 1 101 101 LEU N N 15 118.94 0.05 . 1 . . . A 100 LEU N . 18533 1 1073 . 1 1 102 102 GLY H H 1 7.70 0.02 . 1 . . . A 101 GLY H . 18533 1 1074 . 1 1 102 102 GLY HA2 H 1 4.30 0.02 . 2 . . . A 101 GLY HA2 . 18533 1 1075 . 1 1 102 102 GLY HA3 H 1 3.61 0.02 . 2 . . . A 101 GLY HA3 . 18533 1 1076 . 1 1 102 102 GLY CA C 13 45.03 0.05 . 1 . . . A 101 GLY CA . 18533 1 1077 . 1 1 102 102 GLY N N 15 105.74 0.05 . 1 . . . A 101 GLY N . 18533 1 1078 . 1 1 103 103 VAL H H 1 7.52 0.02 . 1 . . . A 102 VAL H . 18533 1 1079 . 1 1 103 103 VAL HA H 1 3.63 0.02 . 1 . . . A 102 VAL HA . 18533 1 1080 . 1 1 103 103 VAL HB H 1 1.48 0.02 . 1 . . . A 102 VAL HB . 18533 1 1081 . 1 1 103 103 VAL HG11 H 1 0.88 0.02 . 2 . . . A 102 VAL HG11 . 18533 1 1082 . 1 1 103 103 VAL HG12 H 1 0.88 0.02 . 2 . . . A 102 VAL HG12 . 18533 1 1083 . 1 1 103 103 VAL HG13 H 1 0.88 0.02 . 2 . . . A 102 VAL HG13 . 18533 1 1084 . 1 1 103 103 VAL HG21 H 1 0.94 0.02 . 2 . . . A 102 VAL HG21 . 18533 1 1085 . 1 1 103 103 VAL HG22 H 1 0.94 0.02 . 2 . . . A 102 VAL HG22 . 18533 1 1086 . 1 1 103 103 VAL HG23 H 1 0.94 0.02 . 2 . . . A 102 VAL HG23 . 18533 1 1087 . 1 1 103 103 VAL CA C 13 63.60 0.05 . 1 . . . A 102 VAL CA . 18533 1 1088 . 1 1 103 103 VAL CB C 13 31.49 0.05 . 1 . . . A 102 VAL CB . 18533 1 1089 . 1 1 103 103 VAL CG1 C 13 22.96 0.05 . 1 . . . A 102 VAL CG1 . 18533 1 1090 . 1 1 103 103 VAL CG2 C 13 23.00 0.05 . 1 . . . A 102 VAL CG2 . 18533 1 1091 . 1 1 103 103 VAL N N 15 122.33 0.05 . 1 . . . A 102 VAL N . 18533 1 1092 . 1 1 104 104 GLU H H 1 9.21 0.02 . 1 . . . A 103 GLU H . 18533 1 1093 . 1 1 104 104 GLU HA H 1 4.17 0.02 . 1 . . . A 103 GLU HA . 18533 1 1094 . 1 1 104 104 GLU HB2 H 1 2.20 0.02 . 2 . . . A 103 GLU HB2 . 18533 1 1095 . 1 1 104 104 GLU HB3 H 1 2.11 0.02 . 2 . . . A 103 GLU HB3 . 18533 1 1096 . 1 1 104 104 GLU HG2 H 1 2.48 0.02 . 2 . . . A 103 GLU HG2 . 18533 1 1097 . 1 1 104 104 GLU HG3 H 1 2.33 0.02 . 2 . . . A 103 GLU HG3 . 18533 1 1098 . 1 1 104 104 GLU CA C 13 56.92 0.05 . 1 . . . A 103 GLU CA . 18533 1 1099 . 1 1 104 104 GLU CB C 13 28.95 0.05 . 1 . . . A 103 GLU CB . 18533 1 1100 . 1 1 104 104 GLU CG C 13 36.02 0.05 . 1 . . . A 103 GLU CG . 18533 1 1101 . 1 1 104 104 GLU N N 15 128.99 0.05 . 1 . . . A 103 GLU N . 18533 1 1102 . 1 1 105 105 ALA H H 1 8.50 0.02 . 1 . . . A 104 ALA H . 18533 1 1103 . 1 1 105 105 ALA HA H 1 3.76 0.02 . 1 . . . A 104 ALA HA . 18533 1 1104 . 1 1 105 105 ALA HB1 H 1 1.40 0.02 . 1 . . . A 104 ALA HB1 . 18533 1 1105 . 1 1 105 105 ALA HB2 H 1 1.40 0.02 . 1 . . . A 104 ALA HB2 . 18533 1 1106 . 1 1 105 105 ALA HB3 H 1 1.40 0.02 . 1 . . . A 104 ALA HB3 . 18533 1 1107 . 1 1 105 105 ALA CA C 13 55.64 0.05 . 1 . . . A 104 ALA CA . 18533 1 1108 . 1 1 105 105 ALA CB C 13 18.14 0.05 . 1 . . . A 104 ALA CB . 18533 1 1109 . 1 1 105 105 ALA N N 15 124.41 0.05 . 1 . . . A 104 ALA N . 18533 1 1110 . 1 1 106 106 ALA H H 1 8.27 0.02 . 1 . . . A 105 ALA H . 18533 1 1111 . 1 1 106 106 ALA HA H 1 4.13 0.02 . 1 . . . A 105 ALA HA . 18533 1 1112 . 1 1 106 106 ALA HB1 H 1 1.45 0.02 . 1 . . . A 105 ALA HB1 . 18533 1 1113 . 1 1 106 106 ALA HB2 H 1 1.45 0.02 . 1 . . . A 105 ALA HB2 . 18533 1 1114 . 1 1 106 106 ALA HB3 H 1 1.45 0.02 . 1 . . . A 105 ALA HB3 . 18533 1 1115 . 1 1 106 106 ALA CA C 13 54.04 0.05 . 1 . . . A 105 ALA CA . 18533 1 1116 . 1 1 106 106 ALA CB C 13 19.06 0.05 . 1 . . . A 105 ALA CB . 18533 1 1117 . 1 1 106 106 ALA N N 15 115.11 0.05 . 1 . . . A 105 ALA N . 18533 1 1118 . 1 1 107 107 ARG H H 1 7.74 0.02 . 1 . . . A 106 ARG H . 18533 1 1119 . 1 1 107 107 ARG HA H 1 4.46 0.02 . 1 . . . A 106 ARG HA . 18533 1 1120 . 1 1 107 107 ARG HB2 H 1 1.95 0.02 . 2 . . . A 106 ARG HB2 . 18533 1 1121 . 1 1 107 107 ARG HB3 H 1 1.58 0.02 . 2 . . . A 106 ARG HB3 . 18533 1 1122 . 1 1 107 107 ARG HG2 H 1 1.70 0.02 . 2 . . . A 106 ARG HG2 . 18533 1 1123 . 1 1 107 107 ARG HG3 H 1 1.60 0.02 . 2 . . . A 106 ARG HG3 . 18533 1 1124 . 1 1 107 107 ARG HD2 H 1 3.41 0.02 . 2 . . . A 106 ARG HD2 . 18533 1 1125 . 1 1 107 107 ARG HD3 H 1 3.25 0.02 . 2 . . . A 106 ARG HD3 . 18533 1 1126 . 1 1 107 107 ARG CA C 13 56.51 0.05 . 1 . . . A 106 ARG CA . 18533 1 1127 . 1 1 107 107 ARG CB C 13 32.37 0.05 . 1 . . . A 106 ARG CB . 18533 1 1128 . 1 1 107 107 ARG CG C 13 29.61 0.05 . 1 . . . A 106 ARG CG . 18533 1 1129 . 1 1 107 107 ARG CD C 13 44.13 0.05 . 1 . . . A 106 ARG CD . 18533 1 1130 . 1 1 107 107 ARG N N 15 115.08 0.05 . 1 . . . A 106 ARG N . 18533 1 1131 . 1 1 108 108 VAL H H 1 7.29 0.02 . 1 . . . A 107 VAL H . 18533 1 1132 . 1 1 108 108 VAL HA H 1 5.07 0.02 . 1 . . . A 107 VAL HA . 18533 1 1133 . 1 1 108 108 VAL HB H 1 1.85 0.02 . 1 . . . A 107 VAL HB . 18533 1 1134 . 1 1 108 108 VAL HG11 H 1 0.77 0.02 . 2 . . . A 107 VAL HG11 . 18533 1 1135 . 1 1 108 108 VAL HG12 H 1 0.77 0.02 . 2 . . . A 107 VAL HG12 . 18533 1 1136 . 1 1 108 108 VAL HG13 H 1 0.77 0.02 . 2 . . . A 107 VAL HG13 . 18533 1 1137 . 1 1 108 108 VAL HG21 H 1 0.74 0.02 . 2 . . . A 107 VAL HG21 . 18533 1 1138 . 1 1 108 108 VAL HG22 H 1 0.74 0.02 . 2 . . . A 107 VAL HG22 . 18533 1 1139 . 1 1 108 108 VAL HG23 H 1 0.74 0.02 . 2 . . . A 107 VAL HG23 . 18533 1 1140 . 1 1 108 108 VAL CA C 13 60.64 0.05 . 1 . . . A 107 VAL CA . 18533 1 1141 . 1 1 108 108 VAL CB C 13 33.60 0.05 . 1 . . . A 107 VAL CB . 18533 1 1142 . 1 1 108 108 VAL CG1 C 13 21.02 0.05 . 1 . . . A 107 VAL CG1 . 18533 1 1143 . 1 1 108 108 VAL CG2 C 13 22.05 0.05 . 1 . . . A 107 VAL CG2 . 18533 1 1144 . 1 1 108 108 VAL N N 15 118.17 0.05 . 1 . . . A 107 VAL N . 18533 1 1145 . 1 1 109 109 ARG H H 1 8.42 0.02 . 1 . . . A 108 ARG H . 18533 1 1146 . 1 1 109 109 ARG HA H 1 4.62 0.02 . 1 . . . A 108 ARG HA . 18533 1 1147 . 1 1 109 109 ARG HB2 H 1 1.39 0.02 . 2 . . . A 108 ARG HB2 . 18533 1 1148 . 1 1 109 109 ARG HB3 H 1 1.23 0.02 . 2 . . . A 108 ARG HB3 . 18533 1 1149 . 1 1 109 109 ARG HG2 H 1 1.34 0.02 . 2 . . . A 108 ARG HG2 . 18533 1 1150 . 1 1 109 109 ARG HG3 H 1 1.26 0.02 . 2 . . . A 108 ARG HG3 . 18533 1 1151 . 1 1 109 109 ARG HD2 H 1 3.02 0.02 . 2 . . . A 108 ARG HD2 . 18533 1 1152 . 1 1 109 109 ARG HD3 H 1 3.02 0.02 . 2 . . . A 108 ARG HD3 . 18533 1 1153 . 1 1 109 109 ARG CA C 13 51.89 0.05 . 1 . . . A 108 ARG CA . 18533 1 1154 . 1 1 109 109 ARG CB C 13 34.98 0.05 . 1 . . . A 108 ARG CB . 18533 1 1155 . 1 1 109 109 ARG CG C 13 26.73 0.05 . 1 . . . A 108 ARG CG . 18533 1 1156 . 1 1 109 109 ARG CD C 13 41.47 0.05 . 1 . . . A 108 ARG CD . 18533 1 1157 . 1 1 109 109 ARG N N 15 124.25 0.05 . 1 . . . A 108 ARG N . 18533 1 1158 . 1 1 110 110 MET H H 1 8.89 0.02 . 1 . . . A 109 MET H . 18533 1 1159 . 1 1 110 110 MET HA H 1 4.96 0.02 . 1 . . . A 109 MET HA . 18533 1 1160 . 1 1 110 110 MET HB2 H 1 2.32 0.02 . 2 . . . A 109 MET HB2 . 18533 1 1161 . 1 1 110 110 MET HB3 H 1 1.78 0.02 . 2 . . . A 109 MET HB3 . 18533 1 1162 . 1 1 110 110 MET HG2 H 1 2.52 0.02 . 2 . . . A 109 MET HG2 . 18533 1 1163 . 1 1 110 110 MET HG3 H 1 2.38 0.02 . 2 . . . A 109 MET HG3 . 18533 1 1164 . 1 1 110 110 MET HE1 H 1 1.83 0.02 . 1 . . . A 109 MET HE1 . 18533 1 1165 . 1 1 110 110 MET HE2 H 1 1.83 0.02 . 1 . . . A 109 MET HE2 . 18533 1 1166 . 1 1 110 110 MET HE3 H 1 1.83 0.02 . 1 . . . A 109 MET HE3 . 18533 1 1167 . 1 1 110 110 MET CA C 13 53.82 0.05 . 1 . . . A 109 MET CA . 18533 1 1168 . 1 1 110 110 MET CB C 13 30.68 0.05 . 1 . . . A 109 MET CB . 18533 1 1169 . 1 1 110 110 MET CG C 13 31.89 0.05 . 1 . . . A 109 MET CG . 18533 1 1170 . 1 1 110 110 MET CE C 13 15.82 0.05 . 1 . . . A 109 MET CE . 18533 1 1171 . 1 1 110 110 MET N N 15 119.57 0.05 . 1 . . . A 109 MET N . 18533 1 1172 . 1 1 111 111 LEU H H 1 9.20 0.02 . 1 . . . A 110 LEU H . 18533 1 1173 . 1 1 111 111 LEU HA H 1 3.96 0.02 . 1 . . . A 110 LEU HA . 18533 1 1174 . 1 1 111 111 LEU HB2 H 1 1.84 0.02 . 2 . . . A 110 LEU HB2 . 18533 1 1175 . 1 1 111 111 LEU HB3 H 1 1.55 0.02 . 2 . . . A 110 LEU HB3 . 18533 1 1176 . 1 1 111 111 LEU HG H 1 1.46 0.02 . 1 . . . A 110 LEU HG . 18533 1 1177 . 1 1 111 111 LEU HD11 H 1 0.84 0.02 . 2 . . . A 110 LEU HD11 . 18533 1 1178 . 1 1 111 111 LEU HD12 H 1 0.84 0.02 . 2 . . . A 110 LEU HD12 . 18533 1 1179 . 1 1 111 111 LEU HD13 H 1 0.84 0.02 . 2 . . . A 110 LEU HD13 . 18533 1 1180 . 1 1 111 111 LEU HD21 H 1 0.81 0.02 . 2 . . . A 110 LEU HD21 . 18533 1 1181 . 1 1 111 111 LEU HD22 H 1 0.81 0.02 . 2 . . . A 110 LEU HD22 . 18533 1 1182 . 1 1 111 111 LEU HD23 H 1 0.81 0.02 . 2 . . . A 110 LEU HD23 . 18533 1 1183 . 1 1 111 111 LEU CA C 13 59.60 0.05 . 1 . . . A 110 LEU CA . 18533 1 1184 . 1 1 111 111 LEU CB C 13 41.08 0.05 . 1 . . . A 110 LEU CB . 18533 1 1185 . 1 1 111 111 LEU CG C 13 27.24 0.05 . 1 . . . A 110 LEU CG . 18533 1 1186 . 1 1 111 111 LEU CD1 C 13 24.44 0.05 . 1 . . . A 110 LEU CD1 . 18533 1 1187 . 1 1 111 111 LEU CD2 C 13 27.79 0.05 . 1 . . . A 110 LEU CD2 . 18533 1 1188 . 1 1 111 111 LEU N N 15 128.66 0.05 . 1 . . . A 110 LEU N . 18533 1 1189 . 1 1 112 112 ARG H H 1 8.93 0.02 . 1 . . . A 111 ARG H . 18533 1 1190 . 1 1 112 112 ARG HA H 1 3.95 0.02 . 1 . . . A 111 ARG HA . 18533 1 1191 . 1 1 112 112 ARG HB2 H 1 2.02 0.02 . 2 . . . A 111 ARG HB2 . 18533 1 1192 . 1 1 112 112 ARG HB3 H 1 1.87 0.02 . 2 . . . A 111 ARG HB3 . 18533 1 1193 . 1 1 112 112 ARG HG2 H 1 1.59 0.02 . 2 . . . A 111 ARG HG2 . 18533 1 1194 . 1 1 112 112 ARG HG3 H 1 1.87 0.02 . 2 . . . A 111 ARG HG3 . 18533 1 1195 . 1 1 112 112 ARG HD2 H 1 3.30 0.02 . 2 . . . A 111 ARG HD2 . 18533 1 1196 . 1 1 112 112 ARG HD3 H 1 3.17 0.02 . 2 . . . A 111 ARG HD3 . 18533 1 1197 . 1 1 112 112 ARG CA C 13 59.92 0.05 . 1 . . . A 111 ARG CA . 18533 1 1198 . 1 1 112 112 ARG CB C 13 28.50 0.05 . 1 . . . A 111 ARG CB . 18533 1 1199 . 1 1 112 112 ARG CG C 13 28.20 0.05 . 1 . . . A 111 ARG CG . 18533 1 1200 . 1 1 112 112 ARG CD C 13 43.44 0.05 . 1 . . . A 111 ARG CD . 18533 1 1201 . 1 1 112 112 ARG N N 15 111.91 0.05 . 1 . . . A 111 ARG N . 18533 1 1202 . 1 1 113 113 SER H H 1 7.68 0.02 . 1 . . . A 112 SER H . 18533 1 1203 . 1 1 113 113 SER HA H 1 4.29 0.02 . 1 . . . A 112 SER HA . 18533 1 1204 . 1 1 113 113 SER HB2 H 1 3.89 0.02 . 2 . . . A 112 SER HB2 . 18533 1 1205 . 1 1 113 113 SER HB3 H 1 3.70 0.02 . 2 . . . A 112 SER HB3 . 18533 1 1206 . 1 1 113 113 SER CA C 13 60.88 0.05 . 1 . . . A 112 SER CA . 18533 1 1207 . 1 1 113 113 SER CB C 13 63.19 0.05 . 1 . . . A 112 SER CB . 18533 1 1208 . 1 1 113 113 SER N N 15 114.80 0.05 . 1 . . . A 112 SER N . 18533 1 1209 . 1 1 114 114 PHE H H 1 7.60 0.02 . 1 . . . A 113 PHE H . 18533 1 1210 . 1 1 114 114 PHE HA H 1 4.35 0.02 . 1 . . . A 113 PHE HA . 18533 1 1211 . 1 1 114 114 PHE HB2 H 1 3.03 0.02 . 2 . . . A 113 PHE HB2 . 18533 1 1212 . 1 1 114 114 PHE HB3 H 1 3.41 0.02 . 2 . . . A 113 PHE HB3 . 18533 1 1213 . 1 1 114 114 PHE HD1 H 1 7.25 0.02 . 3 . . . A 113 PHE HD1 . 18533 1 1214 . 1 1 114 114 PHE HD2 H 1 7.25 0.02 . 3 . . . A 113 PHE HD2 . 18533 1 1215 . 1 1 114 114 PHE HE1 H 1 6.78 0.02 . 3 . . . A 113 PHE HE1 . 18533 1 1216 . 1 1 114 114 PHE HE2 H 1 6.78 0.02 . 3 . . . A 113 PHE HE2 . 18533 1 1217 . 1 1 114 114 PHE HZ H 1 6.24 0.02 . 1 . . . A 113 PHE HZ . 18533 1 1218 . 1 1 114 114 PHE CA C 13 59.93 0.05 . 1 . . . A 113 PHE CA . 18533 1 1219 . 1 1 114 114 PHE CB C 13 39.72 0.05 . 1 . . . A 113 PHE CB . 18533 1 1220 . 1 1 114 114 PHE CD1 C 13 131.83 0.05 . 3 . . . A 113 PHE CD1 . 18533 1 1221 . 1 1 114 114 PHE CD2 C 13 131.83 0.05 . 3 . . . A 113 PHE CD2 . 18533 1 1222 . 1 1 114 114 PHE CE1 C 13 130.37 0.05 . 3 . . . A 113 PHE CE1 . 18533 1 1223 . 1 1 114 114 PHE CE2 C 13 130.37 0.05 . 3 . . . A 113 PHE CE2 . 18533 1 1224 . 1 1 114 114 PHE CZ C 13 128.67 0.05 . 1 . . . A 113 PHE CZ . 18533 1 1225 . 1 1 114 114 PHE N N 15 119.26 0.05 . 1 . . . A 113 PHE N . 18533 1 1226 . 1 1 115 115 ASP H H 1 7.43 0.02 . 1 . . . A 114 ASP H . 18533 1 1227 . 1 1 115 115 ASP HA H 1 5.02 0.02 . 1 . . . A 114 ASP HA . 18533 1 1228 . 1 1 115 115 ASP HB2 H 1 3.25 0.02 . 2 . . . A 114 ASP HB2 . 18533 1 1229 . 1 1 115 115 ASP HB3 H 1 2.37 0.02 . 2 . . . A 114 ASP HB3 . 18533 1 1230 . 1 1 115 115 ASP CA C 13 51.10 0.05 . 1 . . . A 114 ASP CA . 18533 1 1231 . 1 1 115 115 ASP CB C 13 42.51 0.05 . 1 . . . A 114 ASP CB . 18533 1 1232 . 1 1 115 115 ASP N N 15 121.17 0.05 . 1 . . . A 114 ASP N . 18533 1 1233 . 1 1 116 116 PRO HA H 1 4.49 0.02 . 1 . . . A 115 PRO HA . 18533 1 1234 . 1 1 116 116 PRO HB2 H 1 2.41 0.02 . 2 . . . A 115 PRO HB2 . 18533 1 1235 . 1 1 116 116 PRO HB3 H 1 2.04 0.02 . 2 . . . A 115 PRO HB3 . 18533 1 1236 . 1 1 116 116 PRO HG2 H 1 2.03 0.02 . 2 . . . A 115 PRO HG2 . 18533 1 1237 . 1 1 116 116 PRO HG3 H 1 2.15 0.02 . 2 . . . A 115 PRO HG3 . 18533 1 1238 . 1 1 116 116 PRO HD2 H 1 4.19 0.02 . 2 . . . A 115 PRO HD2 . 18533 1 1239 . 1 1 116 116 PRO HD3 H 1 4.03 0.02 . 2 . . . A 115 PRO HD3 . 18533 1 1240 . 1 1 116 116 PRO CA C 13 64.35 0.05 . 1 . . . A 115 PRO CA . 18533 1 1241 . 1 1 116 116 PRO CB C 13 32.27 0.05 . 1 . . . A 115 PRO CB . 18533 1 1242 . 1 1 116 116 PRO CG C 13 27.14 0.05 . 1 . . . A 115 PRO CG . 18533 1 1243 . 1 1 116 116 PRO CD C 13 51.47 0.05 . 1 . . . A 115 PRO CD . 18533 1 1244 . 1 1 117 117 ARG H H 1 8.58 0.02 . 1 . . . A 116 ARG H . 18533 1 1245 . 1 1 117 117 ARG HA H 1 4.27 0.02 . 1 . . . A 116 ARG HA . 18533 1 1246 . 1 1 117 117 ARG HB2 H 1 1.93 0.02 . 2 . . . A 116 ARG HB2 . 18533 1 1247 . 1 1 117 117 ARG HB3 H 1 1.79 0.02 . 2 . . . A 116 ARG HB3 . 18533 1 1248 . 1 1 117 117 ARG HG2 H 1 1.66 0.02 . 2 . . . A 116 ARG HG2 . 18533 1 1249 . 1 1 117 117 ARG HG3 H 1 1.66 0.02 . 2 . . . A 116 ARG HG3 . 18533 1 1250 . 1 1 117 117 ARG HD2 H 1 3.23 0.02 . 2 . . . A 116 ARG HD2 . 18533 1 1251 . 1 1 117 117 ARG HD3 H 1 3.23 0.02 . 2 . . . A 116 ARG HD3 . 18533 1 1252 . 1 1 117 117 ARG CA C 13 56.45 0.05 . 1 . . . A 116 ARG CA . 18533 1 1253 . 1 1 117 117 ARG CB C 13 29.96 0.05 . 1 . . . A 116 ARG CB . 18533 1 1254 . 1 1 117 117 ARG CG C 13 27.39 0.05 . 1 . . . A 116 ARG CG . 18533 1 1255 . 1 1 117 117 ARG CD C 13 43.32 0.05 . 1 . . . A 116 ARG CD . 18533 1 1256 . 1 1 117 117 ARG N N 15 117.91 0.05 . 1 . . . A 116 ARG N . 18533 1 1257 . 1 1 118 118 SER H H 1 7.95 0.02 . 1 . . . A 117 SER H . 18533 1 1258 . 1 1 118 118 SER HA H 1 3.98 0.02 . 1 . . . A 117 SER HA . 18533 1 1259 . 1 1 118 118 SER HB2 H 1 3.88 0.02 . 2 . . . A 117 SER HB2 . 18533 1 1260 . 1 1 118 118 SER HB3 H 1 3.98 0.02 . 2 . . . A 117 SER HB3 . 18533 1 1261 . 1 1 118 118 SER CA C 13 59.79 0.05 . 1 . . . A 117 SER CA . 18533 1 1262 . 1 1 118 118 SER CB C 13 63.76 0.05 . 1 . . . A 117 SER CB . 18533 1 1263 . 1 1 118 118 SER N N 15 116.13 0.05 . 1 . . . A 117 SER N . 18533 1 1264 . 1 1 119 119 GLY H H 1 8.15 0.02 . 1 . . . A 118 GLY H . 18533 1 1265 . 1 1 119 119 GLY HA2 H 1 4.06 0.02 . 2 . . . A 118 GLY HA2 . 18533 1 1266 . 1 1 119 119 GLY HA3 H 1 3.93 0.02 . 2 . . . A 118 GLY HA3 . 18533 1 1267 . 1 1 119 119 GLY CA C 13 45.37 0.05 . 1 . . . A 118 GLY CA . 18533 1 1268 . 1 1 119 119 GLY N N 15 110.08 0.05 . 1 . . . A 118 GLY N . 18533 1 1269 . 1 1 120 120 THR HA H 1 4.02 0.02 . 1 . . . A 119 THR HA . 18533 1 1270 . 1 1 120 120 THR HB H 1 4.13 0.02 . 1 . . . A 119 THR HB . 18533 1 1271 . 1 1 120 120 THR HG21 H 1 1.05 0.02 . 1 . . . A 119 THR HG21 . 18533 1 1272 . 1 1 120 120 THR HG22 H 1 1.05 0.02 . 1 . . . A 119 THR HG22 . 18533 1 1273 . 1 1 120 120 THR HG23 H 1 1.05 0.02 . 1 . . . A 119 THR HG23 . 18533 1 1274 . 1 1 120 120 THR CA C 13 63.29 0.05 . 1 . . . A 119 THR CA . 18533 1 1275 . 1 1 120 120 THR CB C 13 69.14 0.05 . 1 . . . A 119 THR CB . 18533 1 1276 . 1 1 120 120 THR CG2 C 13 21.62 0.05 . 1 . . . A 119 THR CG2 . 18533 1 1277 . 1 1 121 121 HIS HA H 1 4.57 0.02 . 1 . . . A 120 HIS HA . 18533 1 1278 . 1 1 121 121 HIS HB2 H 1 3.00 0.02 . 2 . . . A 120 HIS HB2 . 18533 1 1279 . 1 1 121 121 HIS HB3 H 1 3.00 0.02 . 2 . . . A 120 HIS HB3 . 18533 1 1280 . 1 1 121 121 HIS HD2 H 1 6.96 0.02 . 1 . . . A 120 HIS HD2 . 18533 1 1281 . 1 1 121 121 HIS CA C 13 56.01 0.05 . 1 . . . A 120 HIS CA . 18533 1 1282 . 1 1 121 121 HIS CB C 13 30.99 0.05 . 1 . . . A 120 HIS CB . 18533 1 1283 . 1 1 121 121 HIS CD2 C 13 119.66 0.05 . 1 . . . A 120 HIS CD2 . 18533 1 1284 . 1 1 122 122 ALA H H 1 7.98 0.02 . 1 . . . A 121 ALA H . 18533 1 1285 . 1 1 122 122 ALA HA H 1 4.34 0.02 . 1 . . . A 121 ALA HA . 18533 1 1286 . 1 1 122 122 ALA HB1 H 1 1.17 0.02 . 1 . . . A 121 ALA HB1 . 18533 1 1287 . 1 1 122 122 ALA HB2 H 1 1.17 0.02 . 1 . . . A 121 ALA HB2 . 18533 1 1288 . 1 1 122 122 ALA HB3 H 1 1.17 0.02 . 1 . . . A 121 ALA HB3 . 18533 1 1289 . 1 1 122 122 ALA CA C 13 51.51 0.05 . 1 . . . A 121 ALA CA . 18533 1 1290 . 1 1 122 122 ALA CB C 13 18.60 0.05 . 1 . . . A 121 ALA CB . 18533 1 1291 . 1 1 122 122 ALA N N 15 125.88 0.05 . 1 . . . A 121 ALA N . 18533 1 1292 . 1 1 123 123 LEU H H 1 7.81 0.02 . 1 . . . A 122 LEU H . 18533 1 1293 . 1 1 123 123 LEU HA H 1 4.28 0.02 . 1 . . . A 122 LEU HA . 18533 1 1294 . 1 1 123 123 LEU HB2 H 1 1.44 0.02 . 2 . . . A 122 LEU HB2 . 18533 1 1295 . 1 1 123 123 LEU HB3 H 1 1.44 0.02 . 2 . . . A 122 LEU HB3 . 18533 1 1296 . 1 1 123 123 LEU HG H 1 1.40 0.02 . 1 . . . A 122 LEU HG . 18533 1 1297 . 1 1 123 123 LEU HD11 H 1 0.72 0.02 . 2 . . . A 122 LEU HD11 . 18533 1 1298 . 1 1 123 123 LEU HD12 H 1 0.72 0.02 . 2 . . . A 122 LEU HD12 . 18533 1 1299 . 1 1 123 123 LEU HD13 H 1 0.72 0.02 . 2 . . . A 122 LEU HD13 . 18533 1 1300 . 1 1 123 123 LEU HD21 H 1 0.81 0.02 . 2 . . . A 122 LEU HD21 . 18533 1 1301 . 1 1 123 123 LEU HD22 H 1 0.81 0.02 . 2 . . . A 122 LEU HD22 . 18533 1 1302 . 1 1 123 123 LEU HD23 H 1 0.81 0.02 . 2 . . . A 122 LEU HD23 . 18533 1 1303 . 1 1 123 123 LEU CA C 13 54.49 0.05 . 1 . . . A 122 LEU CA . 18533 1 1304 . 1 1 123 123 LEU CB C 13 43.70 0.05 . 1 . . . A 122 LEU CB . 18533 1 1305 . 1 1 123 123 LEU CG C 13 27.02 0.05 . 1 . . . A 122 LEU CG . 18533 1 1306 . 1 1 123 123 LEU CD1 C 13 22.82 0.05 . 1 . . . A 122 LEU CD1 . 18533 1 1307 . 1 1 123 123 LEU CD2 C 13 25.48 0.05 . 1 . . . A 122 LEU CD2 . 18533 1 1308 . 1 1 123 123 LEU N N 15 119.81 0.05 . 1 . . . A 122 LEU N . 18533 1 1309 . 1 1 124 124 ASP H H 1 8.27 0.02 . 1 . . . A 123 ASP H . 18533 1 1310 . 1 1 124 124 ASP HA H 1 4.57 0.02 . 1 . . . A 123 ASP HA . 18533 1 1311 . 1 1 124 124 ASP HB2 H 1 2.40 0.02 . 2 . . . A 123 ASP HB2 . 18533 1 1312 . 1 1 124 124 ASP HB3 H 1 2.57 0.02 . 2 . . . A 123 ASP HB3 . 18533 1 1313 . 1 1 124 124 ASP CA C 13 55.32 0.05 . 1 . . . A 123 ASP CA . 18533 1 1314 . 1 1 124 124 ASP CB C 13 42.67 0.05 . 1 . . . A 123 ASP CB . 18533 1 1315 . 1 1 124 124 ASP N N 15 119.05 0.05 . 1 . . . A 123 ASP N . 18533 1 1316 . 1 1 125 125 VAL H H 1 7.93 0.02 . 1 . . . A 124 VAL H . 18533 1 1317 . 1 1 125 125 VAL HA H 1 4.26 0.02 . 1 . . . A 124 VAL HA . 18533 1 1318 . 1 1 125 125 VAL HB H 1 2.07 0.02 . 1 . . . A 124 VAL HB . 18533 1 1319 . 1 1 125 125 VAL HG11 H 1 1.01 0.02 . 2 . . . A 124 VAL HG11 . 18533 1 1320 . 1 1 125 125 VAL HG12 H 1 1.01 0.02 . 2 . . . A 124 VAL HG12 . 18533 1 1321 . 1 1 125 125 VAL HG13 H 1 1.01 0.02 . 2 . . . A 124 VAL HG13 . 18533 1 1322 . 1 1 125 125 VAL HG21 H 1 0.82 0.02 . 2 . . . A 124 VAL HG21 . 18533 1 1323 . 1 1 125 125 VAL HG22 H 1 0.82 0.02 . 2 . . . A 124 VAL HG22 . 18533 1 1324 . 1 1 125 125 VAL HG23 H 1 0.82 0.02 . 2 . . . A 124 VAL HG23 . 18533 1 1325 . 1 1 125 125 VAL CA C 13 62.31 0.05 . 1 . . . A 124 VAL CA . 18533 1 1326 . 1 1 125 125 VAL CB C 13 30.78 0.05 . 1 . . . A 124 VAL CB . 18533 1 1327 . 1 1 125 125 VAL CG1 C 13 22.00 0.05 . 1 . . . A 124 VAL CG1 . 18533 1 1328 . 1 1 125 125 VAL CG2 C 13 22.18 0.05 . 1 . . . A 124 VAL CG2 . 18533 1 1329 . 1 1 125 125 VAL N N 15 121.97 0.05 . 1 . . . A 124 VAL N . 18533 1 1330 . 1 1 126 126 GLU H H 1 9.10 0.02 . 1 . . . A 125 GLU H . 18533 1 1331 . 1 1 126 126 GLU HA H 1 4.08 0.02 . 1 . . . A 125 GLU HA . 18533 1 1332 . 1 1 126 126 GLU HB2 H 1 1.93 0.02 . 2 . . . A 125 GLU HB2 . 18533 1 1333 . 1 1 126 126 GLU HB3 H 1 1.81 0.02 . 2 . . . A 125 GLU HB3 . 18533 1 1334 . 1 1 126 126 GLU HG2 H 1 2.28 0.02 . 2 . . . A 125 GLU HG2 . 18533 1 1335 . 1 1 126 126 GLU HG3 H 1 2.23 0.02 . 2 . . . A 125 GLU HG3 . 18533 1 1336 . 1 1 126 126 GLU CA C 13 57.01 0.05 . 1 . . . A 125 GLU CA . 18533 1 1337 . 1 1 126 126 GLU CB C 13 29.80 0.05 . 1 . . . A 125 GLU CB . 18533 1 1338 . 1 1 126 126 GLU CG C 13 36.57 0.05 . 1 . . . A 125 GLU CG . 18533 1 1339 . 1 1 126 126 GLU N N 15 129.49 0.05 . 1 . . . A 125 GLU N . 18533 1 1340 . 1 1 127 127 ASP H H 1 8.63 0.02 . 1 . . . A 126 ASP H . 18533 1 1341 . 1 1 127 127 ASP HA H 1 4.11 0.02 . 1 . . . A 126 ASP HA . 18533 1 1342 . 1 1 127 127 ASP HB2 H 1 2.98 0.02 . 2 . . . A 126 ASP HB2 . 18533 1 1343 . 1 1 127 127 ASP HB3 H 1 2.60 0.02 . 2 . . . A 126 ASP HB3 . 18533 1 1344 . 1 1 127 127 ASP CA C 13 51.72 0.05 . 1 . . . A 126 ASP CA . 18533 1 1345 . 1 1 127 127 ASP CB C 13 42.52 0.05 . 1 . . . A 126 ASP CB . 18533 1 1346 . 1 1 127 127 ASP N N 15 122.30 0.05 . 1 . . . A 126 ASP N . 18533 1 1347 . 1 1 128 128 PRO HA H 1 4.55 0.02 . 1 . . . A 127 PRO HA . 18533 1 1348 . 1 1 128 128 PRO HB2 H 1 1.21 0.02 . 2 . . . A 127 PRO HB2 . 18533 1 1349 . 1 1 128 128 PRO HB3 H 1 0.76 0.02 . 2 . . . A 127 PRO HB3 . 18533 1 1350 . 1 1 128 128 PRO HD2 H 1 4.01 0.02 . 2 . . . A 127 PRO HD2 . 18533 1 1351 . 1 1 128 128 PRO HD3 H 1 3.86 0.02 . 2 . . . A 127 PRO HD3 . 18533 1 1352 . 1 1 128 128 PRO CA C 13 62.60 0.05 . 1 . . . A 127 PRO CA . 18533 1 1353 . 1 1 128 128 PRO CB C 13 30.98 0.05 . 1 . . . A 127 PRO CB . 18533 1 1354 . 1 1 128 128 PRO CD C 13 48.57 0.05 . 1 . . . A 127 PRO CD . 18533 1 1355 . 1 1 129 129 TYR H H 1 8.67 0.02 . 1 . . . A 128 TYR H . 18533 1 1356 . 1 1 129 129 TYR HA H 1 3.80 0.02 . 1 . . . A 128 TYR HA . 18533 1 1357 . 1 1 129 129 TYR HB2 H 1 3.16 0.02 . 2 . . . A 128 TYR HB2 . 18533 1 1358 . 1 1 129 129 TYR HB3 H 1 2.47 0.02 . 2 . . . A 128 TYR HB3 . 18533 1 1359 . 1 1 129 129 TYR HE1 H 1 6.52 0.02 . 3 . . . A 128 TYR HE1 . 18533 1 1360 . 1 1 129 129 TYR HE2 H 1 6.52 0.02 . 3 . . . A 128 TYR HE2 . 18533 1 1361 . 1 1 129 129 TYR CA C 13 63.12 0.05 . 1 . . . A 128 TYR CA . 18533 1 1362 . 1 1 129 129 TYR CB C 13 39.39 0.05 . 1 . . . A 128 TYR CB . 18533 1 1363 . 1 1 129 129 TYR CE1 C 13 118.25 0.05 . 3 . . . A 128 TYR CE1 . 18533 1 1364 . 1 1 129 129 TYR CE2 C 13 118.25 0.05 . 3 . . . A 128 TYR CE2 . 18533 1 1365 . 1 1 129 129 TYR N N 15 122.38 0.05 . 1 . . . A 128 TYR N . 18533 1 1366 . 1 1 130 130 TYR H H 1 8.68 0.02 . 1 . . . A 129 TYR H . 18533 1 1367 . 1 1 130 130 TYR HA H 1 4.49 0.02 . 1 . . . A 129 TYR HA . 18533 1 1368 . 1 1 130 130 TYR HB2 H 1 3.42 0.02 . 2 . . . A 129 TYR HB2 . 18533 1 1369 . 1 1 130 130 TYR HB3 H 1 2.64 0.02 . 2 . . . A 129 TYR HB3 . 18533 1 1370 . 1 1 130 130 TYR HD1 H 1 7.23 0.02 . 3 . . . A 129 TYR HD1 . 18533 1 1371 . 1 1 130 130 TYR HD2 H 1 7.23 0.02 . 3 . . . A 129 TYR HD2 . 18533 1 1372 . 1 1 130 130 TYR HE1 H 1 6.97 0.02 . 3 . . . A 129 TYR HE1 . 18533 1 1373 . 1 1 130 130 TYR HE2 H 1 6.97 0.02 . 3 . . . A 129 TYR HE2 . 18533 1 1374 . 1 1 130 130 TYR CA C 13 58.48 0.05 . 1 . . . A 129 TYR CA . 18533 1 1375 . 1 1 130 130 TYR CB C 13 36.66 0.05 . 1 . . . A 129 TYR CB . 18533 1 1376 . 1 1 130 130 TYR CD1 C 13 133.36 0.05 . 3 . . . A 129 TYR CD1 . 18533 1 1377 . 1 1 130 130 TYR CD2 C 13 133.36 0.05 . 3 . . . A 129 TYR CD2 . 18533 1 1378 . 1 1 130 130 TYR CE1 C 13 118.37 0.05 . 3 . . . A 129 TYR CE1 . 18533 1 1379 . 1 1 130 130 TYR CE2 C 13 118.37 0.05 . 3 . . . A 129 TYR CE2 . 18533 1 1380 . 1 1 130 130 TYR N N 15 116.30 0.05 . 1 . . . A 129 TYR N . 18533 1 1381 . 1 1 131 131 GLY H H 1 8.06 0.02 . 1 . . . A 130 GLY H . 18533 1 1382 . 1 1 131 131 GLY HA2 H 1 4.35 0.02 . 2 . . . A 130 GLY HA2 . 18533 1 1383 . 1 1 131 131 GLY HA3 H 1 3.84 0.02 . 2 . . . A 130 GLY HA3 . 18533 1 1384 . 1 1 131 131 GLY CA C 13 44.08 0.05 . 1 . . . A 130 GLY CA . 18533 1 1385 . 1 1 131 131 GLY N N 15 110.87 0.05 . 1 . . . A 130 GLY N . 18533 1 1386 . 1 1 132 132 ASP H H 1 9.29 0.02 . 1 . . . A 131 ASP H . 18533 1 1387 . 1 1 132 132 ASP HA H 1 5.07 0.02 . 1 . . . A 131 ASP HA . 18533 1 1388 . 1 1 132 132 ASP HB2 H 1 3.04 0.02 . 2 . . . A 131 ASP HB2 . 18533 1 1389 . 1 1 132 132 ASP HB3 H 1 2.77 0.02 . 2 . . . A 131 ASP HB3 . 18533 1 1390 . 1 1 132 132 ASP CA C 13 52.00 0.05 . 1 . . . A 131 ASP CA . 18533 1 1391 . 1 1 132 132 ASP CB C 13 43.60 0.05 . 1 . . . A 131 ASP CB . 18533 1 1392 . 1 1 132 132 ASP N N 15 121.59 0.05 . 1 . . . A 131 ASP N . 18533 1 1393 . 1 1 133 133 HIS HA H 1 4.11 0.02 . 1 . . . A 132 HIS HA . 18533 1 1394 . 1 1 133 133 HIS HB2 H 1 3.14 0.02 . 2 . . . A 132 HIS HB2 . 18533 1 1395 . 1 1 133 133 HIS HB3 H 1 3.14 0.02 . 2 . . . A 132 HIS HB3 . 18533 1 1396 . 1 1 133 133 HIS HD2 H 1 7.01 0.02 . 1 . . . A 132 HIS HD2 . 18533 1 1397 . 1 1 133 133 HIS CA C 13 61.57 0.05 . 1 . . . A 132 HIS CA . 18533 1 1398 . 1 1 133 133 HIS CB C 13 30.48 0.05 . 1 . . . A 132 HIS CB . 18533 1 1399 . 1 1 133 133 HIS CD2 C 13 119.33 0.05 . 1 . . . A 132 HIS CD2 . 18533 1 1400 . 1 1 134 134 SER H H 1 8.42 0.02 . 1 . . . A 133 SER H . 18533 1 1401 . 1 1 134 134 SER HA H 1 4.18 0.02 . 1 . . . A 133 SER HA . 18533 1 1402 . 1 1 134 134 SER HB2 H 1 3.91 0.02 . 2 . . . A 133 SER HB2 . 18533 1 1403 . 1 1 134 134 SER HB3 H 1 3.97 0.02 . 2 . . . A 133 SER HB3 . 18533 1 1404 . 1 1 134 134 SER CA C 13 62.07 0.05 . 1 . . . A 133 SER CA . 18533 1 1405 . 1 1 134 134 SER CB C 13 62.16 0.05 . 1 . . . A 133 SER CB . 18533 1 1406 . 1 1 134 134 SER N N 15 115.37 0.05 . 1 . . . A 133 SER N . 18533 1 1407 . 1 1 135 135 ASP H H 1 7.98 0.02 . 1 . . . A 134 ASP H . 18533 1 1408 . 1 1 135 135 ASP HA H 1 4.53 0.02 . 1 . . . A 134 ASP HA . 18533 1 1409 . 1 1 135 135 ASP HB2 H 1 2.98 0.02 . 2 . . . A 134 ASP HB2 . 18533 1 1410 . 1 1 135 135 ASP HB3 H 1 2.51 0.02 . 2 . . . A 134 ASP HB3 . 18533 1 1411 . 1 1 135 135 ASP CA C 13 58.04 0.05 . 1 . . . A 134 ASP CA . 18533 1 1412 . 1 1 135 135 ASP CB C 13 40.81 0.05 . 1 . . . A 134 ASP CB . 18533 1 1413 . 1 1 135 135 ASP N N 15 123.36 0.05 . 1 . . . A 134 ASP N . 18533 1 1414 . 1 1 136 136 PHE H H 1 7.85 0.02 . 1 . . . A 135 PHE H . 18533 1 1415 . 1 1 136 136 PHE HA H 1 3.80 0.02 . 1 . . . A 135 PHE HA . 18533 1 1416 . 1 1 136 136 PHE HB2 H 1 3.21 0.02 . 2 . . . A 135 PHE HB2 . 18533 1 1417 . 1 1 136 136 PHE HB3 H 1 2.66 0.02 . 2 . . . A 135 PHE HB3 . 18533 1 1418 . 1 1 136 136 PHE CA C 13 62.82 0.05 . 1 . . . A 135 PHE CA . 18533 1 1419 . 1 1 136 136 PHE CB C 13 39.35 0.05 . 1 . . . A 135 PHE CB . 18533 1 1420 . 1 1 136 136 PHE N N 15 118.94 0.05 . 1 . . . A 135 PHE N . 18533 1 1421 . 1 1 137 137 GLU H H 1 8.15 0.02 . 1 . . . A 136 GLU H . 18533 1 1422 . 1 1 137 137 GLU HA H 1 4.18 0.02 . 1 . . . A 136 GLU HA . 18533 1 1423 . 1 1 137 137 GLU HB2 H 1 2.17 0.02 . 2 . . . A 136 GLU HB2 . 18533 1 1424 . 1 1 137 137 GLU HB3 H 1 2.17 0.02 . 2 . . . A 136 GLU HB3 . 18533 1 1425 . 1 1 137 137 GLU HG2 H 1 2.37 0.02 . 2 . . . A 136 GLU HG2 . 18533 1 1426 . 1 1 137 137 GLU HG3 H 1 2.20 0.02 . 2 . . . A 136 GLU HG3 . 18533 1 1427 . 1 1 137 137 GLU CA C 13 59.50 0.05 . 1 . . . A 136 GLU CA . 18533 1 1428 . 1 1 137 137 GLU CB C 13 28.99 0.05 . 1 . . . A 136 GLU CB . 18533 1 1429 . 1 1 137 137 GLU CG C 13 35.88 0.05 . 1 . . . A 136 GLU CG . 18533 1 1430 . 1 1 137 137 GLU N N 15 121.41 0.05 . 1 . . . A 136 GLU N . 18533 1 1431 . 1 1 138 138 GLU H H 1 7.87 0.02 . 1 . . . A 137 GLU H . 18533 1 1432 . 1 1 138 138 GLU HA H 1 4.29 0.02 . 1 . . . A 137 GLU HA . 18533 1 1433 . 1 1 138 138 GLU HB2 H 1 2.16 0.02 . 2 . . . A 137 GLU HB2 . 18533 1 1434 . 1 1 138 138 GLU HB3 H 1 2.16 0.02 . 2 . . . A 137 GLU HB3 . 18533 1 1435 . 1 1 138 138 GLU HG2 H 1 2.34 0.02 . 2 . . . A 137 GLU HG2 . 18533 1 1436 . 1 1 138 138 GLU HG3 H 1 2.34 0.02 . 2 . . . A 137 GLU HG3 . 18533 1 1437 . 1 1 138 138 GLU CA C 13 59.40 0.05 . 1 . . . A 137 GLU CA . 18533 1 1438 . 1 1 138 138 GLU CB C 13 28.89 0.05 . 1 . . . A 137 GLU CB . 18533 1 1439 . 1 1 138 138 GLU CG C 13 35.75 0.05 . 1 . . . A 137 GLU CG . 18533 1 1440 . 1 1 138 138 GLU N N 15 121.53 0.05 . 1 . . . A 137 GLU N . 18533 1 1441 . 1 1 139 139 VAL H H 1 7.77 0.02 . 1 . . . A 138 VAL H . 18533 1 1442 . 1 1 139 139 VAL HA H 1 3.48 0.02 . 1 . . . A 138 VAL HA . 18533 1 1443 . 1 1 139 139 VAL HB H 1 2.03 0.02 . 1 . . . A 138 VAL HB . 18533 1 1444 . 1 1 139 139 VAL HG11 H 1 0.82 0.02 . 2 . . . A 138 VAL HG11 . 18533 1 1445 . 1 1 139 139 VAL HG12 H 1 0.82 0.02 . 2 . . . A 138 VAL HG12 . 18533 1 1446 . 1 1 139 139 VAL HG13 H 1 0.82 0.02 . 2 . . . A 138 VAL HG13 . 18533 1 1447 . 1 1 139 139 VAL HG21 H 1 0.88 0.02 . 2 . . . A 138 VAL HG21 . 18533 1 1448 . 1 1 139 139 VAL HG22 H 1 0.88 0.02 . 2 . . . A 138 VAL HG22 . 18533 1 1449 . 1 1 139 139 VAL HG23 H 1 0.88 0.02 . 2 . . . A 138 VAL HG23 . 18533 1 1450 . 1 1 139 139 VAL CA C 13 67.08 0.05 . 1 . . . A 138 VAL CA . 18533 1 1451 . 1 1 139 139 VAL CB C 13 31.35 0.05 . 1 . . . A 138 VAL CB . 18533 1 1452 . 1 1 139 139 VAL CG1 C 13 22.78 0.05 . 1 . . . A 138 VAL CG1 . 18533 1 1453 . 1 1 139 139 VAL CG2 C 13 23.86 0.05 . 1 . . . A 138 VAL CG2 . 18533 1 1454 . 1 1 139 139 VAL N N 15 119.93 0.05 . 1 . . . A 138 VAL N . 18533 1 1455 . 1 1 140 140 PHE H H 1 8.05 0.02 . 1 . . . A 139 PHE H . 18533 1 1456 . 1 1 140 140 PHE HA H 1 3.56 0.02 . 1 . . . A 139 PHE HA . 18533 1 1457 . 1 1 140 140 PHE HB2 H 1 2.90 0.02 . 2 . . . A 139 PHE HB2 . 18533 1 1458 . 1 1 140 140 PHE HB3 H 1 3.35 0.02 . 2 . . . A 139 PHE HB3 . 18533 1 1459 . 1 1 140 140 PHE HD1 H 1 6.83 0.02 . 3 . . . A 139 PHE HD1 . 18533 1 1460 . 1 1 140 140 PHE HD2 H 1 6.83 0.02 . 3 . . . A 139 PHE HD2 . 18533 1 1461 . 1 1 140 140 PHE HE1 H 1 6.82 0.02 . 3 . . . A 139 PHE HE1 . 18533 1 1462 . 1 1 140 140 PHE HE2 H 1 6.82 0.02 . 3 . . . A 139 PHE HE2 . 18533 1 1463 . 1 1 140 140 PHE HZ H 1 7.14 0.02 . 1 . . . A 139 PHE HZ . 18533 1 1464 . 1 1 140 140 PHE CA C 13 62.68 0.05 . 1 . . . A 139 PHE CA . 18533 1 1465 . 1 1 140 140 PHE CB C 13 39.17 0.05 . 1 . . . A 139 PHE CB . 18533 1 1466 . 1 1 140 140 PHE CD1 C 13 131.30 0.05 . 3 . . . A 139 PHE CD1 . 18533 1 1467 . 1 1 140 140 PHE CD2 C 13 131.30 0.05 . 3 . . . A 139 PHE CD2 . 18533 1 1468 . 1 1 140 140 PHE CE1 C 13 130.20 0.05 . 3 . . . A 139 PHE CE1 . 18533 1 1469 . 1 1 140 140 PHE CE2 C 13 130.20 0.05 . 3 . . . A 139 PHE CE2 . 18533 1 1470 . 1 1 140 140 PHE CZ C 13 129.42 0.05 . 1 . . . A 139 PHE CZ . 18533 1 1471 . 1 1 140 140 PHE N N 15 119.13 0.05 . 1 . . . A 139 PHE N . 18533 1 1472 . 1 1 141 141 ALA H H 1 8.01 0.02 . 1 . . . A 140 ALA H . 18533 1 1473 . 1 1 141 141 ALA HA H 1 3.99 0.02 . 1 . . . A 140 ALA HA . 18533 1 1474 . 1 1 141 141 ALA HB1 H 1 1.60 0.02 . 1 . . . A 140 ALA HB1 . 18533 1 1475 . 1 1 141 141 ALA HB2 H 1 1.60 0.02 . 1 . . . A 140 ALA HB2 . 18533 1 1476 . 1 1 141 141 ALA HB3 H 1 1.60 0.02 . 1 . . . A 140 ALA HB3 . 18533 1 1477 . 1 1 141 141 ALA CA C 13 55.12 0.05 . 1 . . . A 140 ALA CA . 18533 1 1478 . 1 1 141 141 ALA CB C 13 18.30 0.05 . 1 . . . A 140 ALA CB . 18533 1 1479 . 1 1 141 141 ALA N N 15 121.04 0.05 . 1 . . . A 140 ALA N . 18533 1 1480 . 1 1 142 142 VAL H H 1 8.30 0.02 . 1 . . . A 141 VAL H . 18533 1 1481 . 1 1 142 142 VAL HA H 1 3.81 0.02 . 1 . . . A 141 VAL HA . 18533 1 1482 . 1 1 142 142 VAL HB H 1 2.18 0.02 . 1 . . . A 141 VAL HB . 18533 1 1483 . 1 1 142 142 VAL HG11 H 1 1.12 0.02 . 2 . . . A 141 VAL HG11 . 18533 1 1484 . 1 1 142 142 VAL HG12 H 1 1.12 0.02 . 2 . . . A 141 VAL HG12 . 18533 1 1485 . 1 1 142 142 VAL HG13 H 1 1.12 0.02 . 2 . . . A 141 VAL HG13 . 18533 1 1486 . 1 1 142 142 VAL HG21 H 1 0.91 0.02 . 2 . . . A 141 VAL HG21 . 18533 1 1487 . 1 1 142 142 VAL HG22 H 1 0.91 0.02 . 2 . . . A 141 VAL HG22 . 18533 1 1488 . 1 1 142 142 VAL HG23 H 1 0.91 0.02 . 2 . . . A 141 VAL HG23 . 18533 1 1489 . 1 1 142 142 VAL CA C 13 65.60 0.05 . 1 . . . A 141 VAL CA . 18533 1 1490 . 1 1 142 142 VAL CB C 13 31.45 0.05 . 1 . . . A 141 VAL CB . 18533 1 1491 . 1 1 142 142 VAL CG1 C 13 22.50 0.05 . 1 . . . A 141 VAL CG1 . 18533 1 1492 . 1 1 142 142 VAL CG2 C 13 21.70 0.05 . 1 . . . A 141 VAL CG2 . 18533 1 1493 . 1 1 142 142 VAL N N 15 118.55 0.05 . 1 . . . A 141 VAL N . 18533 1 1494 . 1 1 143 143 ILE H H 1 8.15 0.02 . 1 . . . A 142 ILE H . 18533 1 1495 . 1 1 143 143 ILE HA H 1 3.39 0.02 . 1 . . . A 142 ILE HA . 18533 1 1496 . 1 1 143 143 ILE HB H 1 1.47 0.02 . 1 . . . A 142 ILE HB . 18533 1 1497 . 1 1 143 143 ILE HG12 H 1 1.85 0.02 . 2 . . . A 142 ILE HG12 . 18533 1 1498 . 1 1 143 143 ILE HG13 H 1 0.42 0.02 . 2 . . . A 142 ILE HG13 . 18533 1 1499 . 1 1 143 143 ILE HG21 H 1 0.54 0.02 . 1 . . . A 142 ILE HG21 . 18533 1 1500 . 1 1 143 143 ILE HG22 H 1 0.54 0.02 . 1 . . . A 142 ILE HG22 . 18533 1 1501 . 1 1 143 143 ILE HG23 H 1 0.54 0.02 . 1 . . . A 142 ILE HG23 . 18533 1 1502 . 1 1 143 143 ILE HD11 H 1 0.55 0.02 . 1 . . . A 142 ILE HD11 . 18533 1 1503 . 1 1 143 143 ILE HD12 H 1 0.55 0.02 . 1 . . . A 142 ILE HD12 . 18533 1 1504 . 1 1 143 143 ILE HD13 H 1 0.55 0.02 . 1 . . . A 142 ILE HD13 . 18533 1 1505 . 1 1 143 143 ILE CA C 13 66.05 0.05 . 1 . . . A 142 ILE CA . 18533 1 1506 . 1 1 143 143 ILE CB C 13 37.31 0.05 . 1 . . . A 142 ILE CB . 18533 1 1507 . 1 1 143 143 ILE CG1 C 13 28.72 0.05 . 1 . . . A 142 ILE CG1 . 18533 1 1508 . 1 1 143 143 ILE CG2 C 13 17.25 0.05 . 1 . . . A 142 ILE CG2 . 18533 1 1509 . 1 1 143 143 ILE CD1 C 13 15.26 0.05 . 1 . . . A 142 ILE CD1 . 18533 1 1510 . 1 1 143 143 ILE N N 15 121.41 0.05 . 1 . . . A 142 ILE N . 18533 1 1511 . 1 1 144 144 GLU H H 1 8.64 0.02 . 1 . . . A 143 GLU H . 18533 1 1512 . 1 1 144 144 GLU HA H 1 3.54 0.02 . 1 . . . A 143 GLU HA . 18533 1 1513 . 1 1 144 144 GLU HB2 H 1 1.84 0.02 . 2 . . . A 143 GLU HB2 . 18533 1 1514 . 1 1 144 144 GLU HB3 H 1 1.43 0.02 . 2 . . . A 143 GLU HB3 . 18533 1 1515 . 1 1 144 144 GLU HG2 H 1 1.90 0.02 . 2 . . . A 143 GLU HG2 . 18533 1 1516 . 1 1 144 144 GLU HG3 H 1 1.84 0.02 . 2 . . . A 143 GLU HG3 . 18533 1 1517 . 1 1 144 144 GLU CA C 13 59.76 0.05 . 1 . . . A 143 GLU CA . 18533 1 1518 . 1 1 144 144 GLU CB C 13 29.73 0.05 . 1 . . . A 143 GLU CB . 18533 1 1519 . 1 1 144 144 GLU CG C 13 36.83 0.05 . 1 . . . A 143 GLU CG . 18533 1 1520 . 1 1 144 144 GLU N N 15 119.63 0.05 . 1 . . . A 143 GLU N . 18533 1 1521 . 1 1 145 145 SER H H 1 7.64 0.02 . 1 . . . A 144 SER H . 18533 1 1522 . 1 1 145 145 SER HA H 1 4.23 0.02 . 1 . . . A 144 SER HA . 18533 1 1523 . 1 1 145 145 SER HB2 H 1 3.91 0.02 . 2 . . . A 144 SER HB2 . 18533 1 1524 . 1 1 145 145 SER HB3 H 1 3.91 0.02 . 2 . . . A 144 SER HB3 . 18533 1 1525 . 1 1 145 145 SER CA C 13 60.81 0.05 . 1 . . . A 144 SER CA . 18533 1 1526 . 1 1 145 145 SER CB C 13 63.61 0.05 . 1 . . . A 144 SER CB . 18533 1 1527 . 1 1 145 145 SER N N 15 110.92 0.05 . 1 . . . A 144 SER N . 18533 1 1528 . 1 1 146 146 ALA H H 1 7.50 0.02 . 1 . . . A 145 ALA H . 18533 1 1529 . 1 1 146 146 ALA HA H 1 4.12 0.02 . 1 . . . A 145 ALA HA . 18533 1 1530 . 1 1 146 146 ALA HB1 H 1 1.48 0.02 . 1 . . . A 145 ALA HB1 . 18533 1 1531 . 1 1 146 146 ALA HB2 H 1 1.48 0.02 . 1 . . . A 145 ALA HB2 . 18533 1 1532 . 1 1 146 146 ALA HB3 H 1 1.48 0.02 . 1 . . . A 145 ALA HB3 . 18533 1 1533 . 1 1 146 146 ALA CA C 13 53.40 0.05 . 1 . . . A 145 ALA CA . 18533 1 1534 . 1 1 146 146 ALA CB C 13 20.88 0.05 . 1 . . . A 145 ALA CB . 18533 1 1535 . 1 1 146 146 ALA N N 15 123.11 0.05 . 1 . . . A 145 ALA N . 18533 1 1536 . 1 1 147 147 LEU H H 1 7.41 0.02 . 1 . . . A 146 LEU H . 18533 1 1537 . 1 1 147 147 LEU HA H 1 3.94 0.02 . 1 . . . A 146 LEU HA . 18533 1 1538 . 1 1 147 147 LEU HB2 H 1 2.18 0.02 . 2 . . . A 146 LEU HB2 . 18533 1 1539 . 1 1 147 147 LEU HB3 H 1 1.49 0.02 . 2 . . . A 146 LEU HB3 . 18533 1 1540 . 1 1 147 147 LEU HG H 1 2.06 0.02 . 1 . . . A 146 LEU HG . 18533 1 1541 . 1 1 147 147 LEU HD11 H 1 0.39 0.02 . 2 . . . A 146 LEU HD11 . 18533 1 1542 . 1 1 147 147 LEU HD12 H 1 0.39 0.02 . 2 . . . A 146 LEU HD12 . 18533 1 1543 . 1 1 147 147 LEU HD13 H 1 0.39 0.02 . 2 . . . A 146 LEU HD13 . 18533 1 1544 . 1 1 147 147 LEU HD21 H 1 0.76 0.02 . 2 . . . A 146 LEU HD21 . 18533 1 1545 . 1 1 147 147 LEU HD22 H 1 0.76 0.02 . 2 . . . A 146 LEU HD22 . 18533 1 1546 . 1 1 147 147 LEU HD23 H 1 0.76 0.02 . 2 . . . A 146 LEU HD23 . 18533 1 1547 . 1 1 147 147 LEU CA C 13 59.05 0.05 . 1 . . . A 146 LEU CA . 18533 1 1548 . 1 1 147 147 LEU CB C 13 39.46 0.05 . 1 . . . A 146 LEU CB . 18533 1 1549 . 1 1 147 147 LEU CG C 13 25.61 0.05 . 1 . . . A 146 LEU CG . 18533 1 1550 . 1 1 147 147 LEU CD1 C 13 21.54 0.05 . 1 . . . A 146 LEU CD1 . 18533 1 1551 . 1 1 147 147 LEU CD2 C 13 26.33 0.05 . 1 . . . A 146 LEU CD2 . 18533 1 1552 . 1 1 147 147 LEU N N 15 114.22 0.05 . 1 . . . A 146 LEU N . 18533 1 1553 . 1 1 148 148 PRO HA H 1 4.45 0.02 . 1 . . . A 147 PRO HA . 18533 1 1554 . 1 1 148 148 PRO HB2 H 1 2.46 0.02 . 2 . . . A 147 PRO HB2 . 18533 1 1555 . 1 1 148 148 PRO HB3 H 1 1.90 0.02 . 2 . . . A 147 PRO HB3 . 18533 1 1556 . 1 1 148 148 PRO HG2 H 1 2.18 0.02 . 2 . . . A 147 PRO HG2 . 18533 1 1557 . 1 1 148 148 PRO HG3 H 1 2.01 0.02 . 2 . . . A 147 PRO HG3 . 18533 1 1558 . 1 1 148 148 PRO HD2 H 1 3.93 0.02 . 2 . . . A 147 PRO HD2 . 18533 1 1559 . 1 1 148 148 PRO HD3 H 1 3.44 0.02 . 2 . . . A 147 PRO HD3 . 18533 1 1560 . 1 1 148 148 PRO CA C 13 67.84 0.05 . 1 . . . A 147 PRO CA . 18533 1 1561 . 1 1 148 148 PRO CB C 13 31.22 0.05 . 1 . . . A 147 PRO CB . 18533 1 1562 . 1 1 148 148 PRO CG C 13 28.64 0.05 . 1 . . . A 147 PRO CG . 18533 1 1563 . 1 1 148 148 PRO CD C 13 51.14 0.05 . 1 . . . A 147 PRO CD . 18533 1 1564 . 1 1 149 149 GLY H H 1 7.96 0.02 . 1 . . . A 148 GLY H . 18533 1 1565 . 1 1 149 149 GLY HA2 H 1 4.64 0.02 . 2 . . . A 148 GLY HA2 . 18533 1 1566 . 1 1 149 149 GLY HA3 H 1 4.28 0.02 . 2 . . . A 148 GLY HA3 . 18533 1 1567 . 1 1 149 149 GLY CA C 13 47.26 0.05 . 1 . . . A 148 GLY CA . 18533 1 1568 . 1 1 149 149 GLY N N 15 102.59 0.05 . 1 . . . A 148 GLY N . 18533 1 1569 . 1 1 150 150 LEU H H 1 7.62 0.02 . 1 . . . A 149 LEU H . 18533 1 1570 . 1 1 150 150 LEU HA H 1 3.63 0.02 . 1 . . . A 149 LEU HA . 18533 1 1571 . 1 1 150 150 LEU HB2 H 1 1.06 0.02 . 2 . . . A 149 LEU HB2 . 18533 1 1572 . 1 1 150 150 LEU HB3 H 1 0.40 0.02 . 2 . . . A 149 LEU HB3 . 18533 1 1573 . 1 1 150 150 LEU HG H 1 0.28 0.02 . 1 . . . A 149 LEU HG . 18533 1 1574 . 1 1 150 150 LEU HD11 H 1 -0.46 0.02 . 2 . . . A 149 LEU HD11 . 18533 1 1575 . 1 1 150 150 LEU HD12 H 1 -0.46 0.02 . 2 . . . A 149 LEU HD12 . 18533 1 1576 . 1 1 150 150 LEU HD13 H 1 -0.46 0.02 . 2 . . . A 149 LEU HD13 . 18533 1 1577 . 1 1 150 150 LEU HD21 H 1 -0.19 0.02 . 2 . . . A 149 LEU HD21 . 18533 1 1578 . 1 1 150 150 LEU HD22 H 1 -0.19 0.02 . 2 . . . A 149 LEU HD22 . 18533 1 1579 . 1 1 150 150 LEU HD23 H 1 -0.19 0.02 . 2 . . . A 149 LEU HD23 . 18533 1 1580 . 1 1 150 150 LEU CA C 13 57.35 0.05 . 1 . . . A 149 LEU CA . 18533 1 1581 . 1 1 150 150 LEU CB C 13 41.20 0.05 . 1 . . . A 149 LEU CB . 18533 1 1582 . 1 1 150 150 LEU CG C 13 26.89 0.05 . 1 . . . A 149 LEU CG . 18533 1 1583 . 1 1 150 150 LEU CD1 C 13 25.19 0.05 . 1 . . . A 149 LEU CD1 . 18533 1 1584 . 1 1 150 150 LEU CD2 C 13 23.80 0.05 . 1 . . . A 149 LEU CD2 . 18533 1 1585 . 1 1 150 150 LEU N N 15 128.06 0.05 . 1 . . . A 149 LEU N . 18533 1 1586 . 1 1 151 151 HIS H H 1 8.43 0.02 . 1 . . . A 150 HIS H . 18533 1 1587 . 1 1 151 151 HIS HA H 1 4.17 0.02 . 1 . . . A 150 HIS HA . 18533 1 1588 . 1 1 151 151 HIS HB2 H 1 3.46 0.02 . 2 . . . A 150 HIS HB2 . 18533 1 1589 . 1 1 151 151 HIS HB3 H 1 3.24 0.02 . 2 . . . A 150 HIS HB3 . 18533 1 1590 . 1 1 151 151 HIS HD2 H 1 7.15 0.02 . 1 . . . A 150 HIS HD2 . 18533 1 1591 . 1 1 151 151 HIS CA C 13 62.38 0.05 . 1 . . . A 150 HIS CA . 18533 1 1592 . 1 1 151 151 HIS CB C 13 30.51 0.05 . 1 . . . A 150 HIS CB . 18533 1 1593 . 1 1 151 151 HIS CD2 C 13 119.88 0.05 . 1 . . . A 150 HIS CD2 . 18533 1 1594 . 1 1 151 151 HIS N N 15 120.73 0.05 . 1 . . . A 150 HIS N . 18533 1 1595 . 1 1 152 152 ASP H H 1 7.82 0.02 . 1 . . . A 151 ASP H . 18533 1 1596 . 1 1 152 152 ASP HA H 1 4.42 0.02 . 1 . . . A 151 ASP HA . 18533 1 1597 . 1 1 152 152 ASP HB2 H 1 3.03 0.02 . 2 . . . A 151 ASP HB2 . 18533 1 1598 . 1 1 152 152 ASP HB3 H 1 2.86 0.02 . 2 . . . A 151 ASP HB3 . 18533 1 1599 . 1 1 152 152 ASP CA C 13 57.81 0.05 . 1 . . . A 151 ASP CA . 18533 1 1600 . 1 1 152 152 ASP CB C 13 40.03 0.05 . 1 . . . A 151 ASP CB . 18533 1 1601 . 1 1 152 152 ASP N N 15 118.17 0.05 . 1 . . . A 151 ASP N . 18533 1 1602 . 1 1 153 153 TRP H H 1 7.90 0.02 . 1 . . . A 152 TRP H . 18533 1 1603 . 1 1 153 153 TRP HA H 1 4.11 0.02 . 1 . . . A 152 TRP HA . 18533 1 1604 . 1 1 153 153 TRP HB2 H 1 3.72 0.02 . 2 . . . A 152 TRP HB2 . 18533 1 1605 . 1 1 153 153 TRP HB3 H 1 3.45 0.02 . 2 . . . A 152 TRP HB3 . 18533 1 1606 . 1 1 153 153 TRP HD1 H 1 7.47 0.02 . 1 . . . A 152 TRP HD1 . 18533 1 1607 . 1 1 153 153 TRP HE1 H 1 10.15 0.02 . 1 . . . A 152 TRP HE1 . 18533 1 1608 . 1 1 153 153 TRP HZ2 H 1 7.40 0.02 . 1 . . . A 152 TRP HZ2 . 18533 1 1609 . 1 1 153 153 TRP HH2 H 1 6.70 0.02 . 1 . . . A 152 TRP HH2 . 18533 1 1610 . 1 1 153 153 TRP CA C 13 62.61 0.05 . 1 . . . A 152 TRP CA . 18533 1 1611 . 1 1 153 153 TRP CB C 13 29.79 0.05 . 1 . . . A 152 TRP CB . 18533 1 1612 . 1 1 153 153 TRP CD1 C 13 127.38 0.05 . 1 . . . A 152 TRP CD1 . 18533 1 1613 . 1 1 153 153 TRP CZ2 C 13 114.88 0.05 . 1 . . . A 152 TRP CZ2 . 18533 1 1614 . 1 1 153 153 TRP CH2 C 13 123.78 0.05 . 1 . . . A 152 TRP CH2 . 18533 1 1615 . 1 1 153 153 TRP N N 15 122.78 0.05 . 1 . . . A 152 TRP N . 18533 1 1616 . 1 1 153 153 TRP NE1 N 15 129.05 0.05 . 1 . . . A 152 TRP NE1 . 18533 1 1617 . 1 1 154 154 VAL H H 1 8.56 0.02 . 1 . . . A 153 VAL H . 18533 1 1618 . 1 1 154 154 VAL HA H 1 3.35 0.02 . 1 . . . A 153 VAL HA . 18533 1 1619 . 1 1 154 154 VAL HB H 1 2.48 0.02 . 1 . . . A 153 VAL HB . 18533 1 1620 . 1 1 154 154 VAL HG11 H 1 1.40 0.02 . 2 . . . A 153 VAL HG11 . 18533 1 1621 . 1 1 154 154 VAL HG12 H 1 1.40 0.02 . 2 . . . A 153 VAL HG12 . 18533 1 1622 . 1 1 154 154 VAL HG13 H 1 1.40 0.02 . 2 . . . A 153 VAL HG13 . 18533 1 1623 . 1 1 154 154 VAL HG21 H 1 1.01 0.02 . 2 . . . A 153 VAL HG21 . 18533 1 1624 . 1 1 154 154 VAL HG22 H 1 1.01 0.02 . 2 . . . A 153 VAL HG22 . 18533 1 1625 . 1 1 154 154 VAL HG23 H 1 1.01 0.02 . 2 . . . A 153 VAL HG23 . 18533 1 1626 . 1 1 154 154 VAL CA C 13 66.98 0.05 . 1 . . . A 153 VAL CA . 18533 1 1627 . 1 1 154 154 VAL CB C 13 31.90 0.05 . 1 . . . A 153 VAL CB . 18533 1 1628 . 1 1 154 154 VAL CG1 C 13 23.87 0.05 . 1 . . . A 153 VAL CG1 . 18533 1 1629 . 1 1 154 154 VAL CG2 C 13 22.47 0.05 . 1 . . . A 153 VAL CG2 . 18533 1 1630 . 1 1 154 154 VAL N N 15 119.46 0.05 . 1 . . . A 153 VAL N . 18533 1 1631 . 1 1 155 155 ASP H H 1 8.53 0.02 . 1 . . . A 154 ASP H . 18533 1 1632 . 1 1 155 155 ASP HA H 1 4.20 0.02 . 1 . . . A 154 ASP HA . 18533 1 1633 . 1 1 155 155 ASP HB2 H 1 2.92 0.02 . 2 . . . A 154 ASP HB2 . 18533 1 1634 . 1 1 155 155 ASP HB3 H 1 2.62 0.02 . 2 . . . A 154 ASP HB3 . 18533 1 1635 . 1 1 155 155 ASP CA C 13 57.57 0.05 . 1 . . . A 154 ASP CA . 18533 1 1636 . 1 1 155 155 ASP CB C 13 39.86 0.05 . 1 . . . A 154 ASP CB . 18533 1 1637 . 1 1 155 155 ASP N N 15 120.50 0.05 . 1 . . . A 154 ASP N . 18533 1 1638 . 1 1 156 156 GLU H H 1 7.87 0.02 . 1 . . . A 155 GLU H . 18533 1 1639 . 1 1 156 156 GLU HA H 1 3.93 0.02 . 1 . . . A 155 GLU HA . 18533 1 1640 . 1 1 156 156 GLU HB2 H 1 1.96 0.02 . 2 . . . A 155 GLU HB2 . 18533 1 1641 . 1 1 156 156 GLU HB3 H 1 1.98 0.02 . 2 . . . A 155 GLU HB3 . 18533 1 1642 . 1 1 156 156 GLU HG2 H 1 2.10 0.02 . 2 . . . A 155 GLU HG2 . 18533 1 1643 . 1 1 156 156 GLU HG3 H 1 2.31 0.02 . 2 . . . A 155 GLU HG3 . 18533 1 1644 . 1 1 156 156 GLU CA C 13 59.16 0.05 . 1 . . . A 155 GLU CA . 18533 1 1645 . 1 1 156 156 GLU CB C 13 29.29 0.05 . 1 . . . A 155 GLU CB . 18533 1 1646 . 1 1 156 156 GLU CG C 13 36.26 0.05 . 1 . . . A 155 GLU CG . 18533 1 1647 . 1 1 156 156 GLU N N 15 120.09 0.05 . 1 . . . A 155 GLU N . 18533 1 1648 . 1 1 157 157 ARG H H 1 7.66 0.02 . 1 . . . A 156 ARG H . 18533 1 1649 . 1 1 157 157 ARG HA H 1 3.81 0.02 . 1 . . . A 156 ARG HA . 18533 1 1650 . 1 1 157 157 ARG HB2 H 1 1.45 0.02 . 2 . . . A 156 ARG HB2 . 18533 1 1651 . 1 1 157 157 ARG HB3 H 1 1.16 0.02 . 2 . . . A 156 ARG HB3 . 18533 1 1652 . 1 1 157 157 ARG HG2 H 1 0.99 0.02 . 2 . . . A 156 ARG HG2 . 18533 1 1653 . 1 1 157 157 ARG HG3 H 1 0.71 0.02 . 2 . . . A 156 ARG HG3 . 18533 1 1654 . 1 1 157 157 ARG HD2 H 1 2.67 0.02 . 2 . . . A 156 ARG HD2 . 18533 1 1655 . 1 1 157 157 ARG HD3 H 1 2.71 0.02 . 2 . . . A 156 ARG HD3 . 18533 1 1656 . 1 1 157 157 ARG CA C 13 56.99 0.05 . 1 . . . A 156 ARG CA . 18533 1 1657 . 1 1 157 157 ARG CB C 13 29.11 0.05 . 1 . . . A 156 ARG CB . 18533 1 1658 . 1 1 157 157 ARG CG C 13 26.30 0.05 . 1 . . . A 156 ARG CG . 18533 1 1659 . 1 1 157 157 ARG CD C 13 41.40 0.05 . 1 . . . A 156 ARG CD . 18533 1 1660 . 1 1 157 157 ARG N N 15 119.23 0.05 . 1 . . . A 156 ARG N . 18533 1 1661 . 1 1 158 158 LEU H H 1 8.47 0.02 . 1 . . . A 157 LEU H . 18533 1 1662 . 1 1 158 158 LEU HA H 1 4.10 0.02 . 1 . . . A 157 LEU HA . 18533 1 1663 . 1 1 158 158 LEU HB2 H 1 1.79 0.02 . 2 . . . A 157 LEU HB2 . 18533 1 1664 . 1 1 158 158 LEU HB3 H 1 1.44 0.02 . 2 . . . A 157 LEU HB3 . 18533 1 1665 . 1 1 158 158 LEU HG H 1 1.83 0.02 . 1 . . . A 157 LEU HG . 18533 1 1666 . 1 1 158 158 LEU HD11 H 1 0.85 0.02 . 2 . . . A 157 LEU HD11 . 18533 1 1667 . 1 1 158 158 LEU HD12 H 1 0.85 0.02 . 2 . . . A 157 LEU HD12 . 18533 1 1668 . 1 1 158 158 LEU HD13 H 1 0.85 0.02 . 2 . . . A 157 LEU HD13 . 18533 1 1669 . 1 1 158 158 LEU HD21 H 1 0.78 0.02 . 2 . . . A 157 LEU HD21 . 18533 1 1670 . 1 1 158 158 LEU HD22 H 1 0.78 0.02 . 2 . . . A 157 LEU HD22 . 18533 1 1671 . 1 1 158 158 LEU HD23 H 1 0.78 0.02 . 2 . . . A 157 LEU HD23 . 18533 1 1672 . 1 1 158 158 LEU CA C 13 56.68 0.05 . 1 . . . A 157 LEU CA . 18533 1 1673 . 1 1 158 158 LEU CB C 13 41.69 0.05 . 1 . . . A 157 LEU CB . 18533 1 1674 . 1 1 158 158 LEU CG C 13 26.53 0.05 . 1 . . . A 157 LEU CG . 18533 1 1675 . 1 1 158 158 LEU CD1 C 13 22.83 0.05 . 1 . . . A 157 LEU CD1 . 18533 1 1676 . 1 1 158 158 LEU CD2 C 13 26.81 0.05 . 1 . . . A 157 LEU CD2 . 18533 1 1677 . 1 1 158 158 LEU N N 15 118.79 0.05 . 1 . . . A 157 LEU N . 18533 1 1678 . 1 1 159 159 ALA H H 1 7.49 0.02 . 1 . . . A 158 ALA H . 18533 1 1679 . 1 1 159 159 ALA HA H 1 4.19 0.02 . 1 . . . A 158 ALA HA . 18533 1 1680 . 1 1 159 159 ALA HB1 H 1 1.41 0.02 . 1 . . . A 158 ALA HB1 . 18533 1 1681 . 1 1 159 159 ALA HB2 H 1 1.41 0.02 . 1 . . . A 158 ALA HB2 . 18533 1 1682 . 1 1 159 159 ALA HB3 H 1 1.41 0.02 . 1 . . . A 158 ALA HB3 . 18533 1 1683 . 1 1 159 159 ALA CA C 13 53.28 0.05 . 1 . . . A 158 ALA CA . 18533 1 1684 . 1 1 159 159 ALA CB C 13 18.39 0.05 . 1 . . . A 158 ALA CB . 18533 1 1685 . 1 1 159 159 ALA N N 15 120.76 0.05 . 1 . . . A 158 ALA N . 18533 1 1686 . 1 1 160 160 ARG H H 1 7.65 0.02 . 1 . . . A 159 ARG H . 18533 1 1687 . 1 1 160 160 ARG HA H 1 4.21 0.02 . 1 . . . A 159 ARG HA . 18533 1 1688 . 1 1 160 160 ARG HB2 H 1 1.87 0.02 . 2 . . . A 159 ARG HB2 . 18533 1 1689 . 1 1 160 160 ARG HB3 H 1 1.79 0.02 . 2 . . . A 159 ARG HB3 . 18533 1 1690 . 1 1 160 160 ARG HG2 H 1 1.63 0.02 . 2 . . . A 159 ARG HG2 . 18533 1 1691 . 1 1 160 160 ARG HG3 H 1 1.70 0.02 . 2 . . . A 159 ARG HG3 . 18533 1 1692 . 1 1 160 160 ARG HD2 H 1 3.13 0.02 . 2 . . . A 159 ARG HD2 . 18533 1 1693 . 1 1 160 160 ARG HD3 H 1 3.13 0.02 . 2 . . . A 159 ARG HD3 . 18533 1 1694 . 1 1 160 160 ARG CA C 13 56.78 0.05 . 1 . . . A 159 ARG CA . 18533 1 1695 . 1 1 160 160 ARG CB C 13 30.53 0.05 . 1 . . . A 159 ARG CB . 18533 1 1696 . 1 1 160 160 ARG CG C 13 27.01 0.05 . 1 . . . A 159 ARG CG . 18533 1 1697 . 1 1 160 160 ARG CD C 13 43.56 0.05 . 1 . . . A 159 ARG CD . 18533 1 1698 . 1 1 160 160 ARG N N 15 117.81 0.05 . 1 . . . A 159 ARG N . 18533 1 1699 . 1 1 161 161 ASN H H 1 8.10 0.02 . 1 . . . A 160 ASN H . 18533 1 1700 . 1 1 161 161 ASN HA H 1 4.74 0.02 . 1 . . . A 160 ASN HA . 18533 1 1701 . 1 1 161 161 ASN HB2 H 1 2.86 0.02 . 2 . . . A 160 ASN HB2 . 18533 1 1702 . 1 1 161 161 ASN HB3 H 1 2.74 0.02 . 2 . . . A 160 ASN HB3 . 18533 1 1703 . 1 1 161 161 ASN HD21 H 1 7.58 0.02 . 2 . . . A 160 ASN HD21 . 18533 1 1704 . 1 1 161 161 ASN HD22 H 1 6.88 0.02 . 2 . . . A 160 ASN HD22 . 18533 1 1705 . 1 1 161 161 ASN CA C 13 53.25 0.05 . 1 . . . A 160 ASN CA . 18533 1 1706 . 1 1 161 161 ASN CB C 13 39.17 0.05 . 1 . . . A 160 ASN CB . 18533 1 1707 . 1 1 161 161 ASN N N 15 118.56 0.05 . 1 . . . A 160 ASN N . 18533 1 1708 . 1 1 161 161 ASN ND2 N 15 111.75 0.05 . 1 . . . A 160 ASN ND2 . 18533 1 1709 . 1 1 162 162 GLY H H 1 7.98 0.02 . 1 . . . A 161 GLY H . 18533 1 1710 . 1 1 162 162 GLY HA2 H 1 4.04 0.02 . 2 . . . A 161 GLY HA2 . 18533 1 1711 . 1 1 162 162 GLY HA3 H 1 4.15 0.02 . 2 . . . A 161 GLY HA3 . 18533 1 1712 . 1 1 162 162 GLY CA C 13 44.73 0.05 . 1 . . . A 161 GLY CA . 18533 1 1713 . 1 1 162 162 GLY N N 15 108.90 0.05 . 1 . . . A 161 GLY N . 18533 1 1714 . 1 1 163 163 PRO HA H 1 4.46 0.02 . 1 . . . A 162 PRO HA . 18533 1 1715 . 1 1 163 163 PRO HB2 H 1 2.25 0.02 . 2 . . . A 162 PRO HB2 . 18533 1 1716 . 1 1 163 163 PRO HB3 H 1 2.00 0.02 . 2 . . . A 162 PRO HB3 . 18533 1 1717 . 1 1 163 163 PRO HG2 H 1 2.00 0.02 . 2 . . . A 162 PRO HG2 . 18533 1 1718 . 1 1 163 163 PRO HG3 H 1 2.00 0.02 . 2 . . . A 162 PRO HG3 . 18533 1 1719 . 1 1 163 163 PRO HD2 H 1 3.62 0.02 . 2 . . . A 162 PRO HD2 . 18533 1 1720 . 1 1 163 163 PRO HD3 H 1 3.59 0.02 . 2 . . . A 162 PRO HD3 . 18533 1 1721 . 1 1 163 163 PRO CA C 13 63.45 0.05 . 1 . . . A 162 PRO CA . 18533 1 1722 . 1 1 163 163 PRO CB C 13 32.20 0.05 . 1 . . . A 162 PRO CB . 18533 1 1723 . 1 1 163 163 PRO CG C 13 27.07 0.05 . 1 . . . A 162 PRO CG . 18533 1 1724 . 1 1 163 163 PRO CD C 13 49.81 0.05 . 1 . . . A 162 PRO CD . 18533 1 1725 . 1 1 164 164 SER H H 1 7.98 0.02 . 1 . . . A 163 SER H . 18533 1 1726 . 1 1 164 164 SER HA H 1 4.23 0.02 . 1 . . . A 163 SER HA . 18533 1 1727 . 1 1 164 164 SER HB2 H 1 3.82 0.02 . 2 . . . A 163 SER HB2 . 18533 1 1728 . 1 1 164 164 SER HB3 H 1 3.82 0.02 . 2 . . . A 163 SER HB3 . 18533 1 1729 . 1 1 164 164 SER CA C 13 60.07 0.05 . 1 . . . A 163 SER CA . 18533 1 1730 . 1 1 164 164 SER CB C 13 64.93 0.05 . 1 . . . A 163 SER CB . 18533 1 1731 . 1 1 164 164 SER N N 15 121.82 0.05 . 1 . . . A 163 SER N . 18533 1 stop_ save_