data_16518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16518 _Entry.Title ; Backbone resonance assignments for oxidised Trypanosoma cruzi glutathione peroxidase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-24 _Entry.Accession_date 2009-09-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Related to X-ray structure submitted to PDB by the same authors: accession code 3E0U' _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 Paul Driscoll . C. . 16518 2 Richard Harris . . . 16518 3 Shreenal Patel . H. . 16518 4 Snezana Djordjevic . . . 16518 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University College London' . 16518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 16518 '15N chemical shifts' 149 16518 '1H chemical shifts' 323 16518 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 2 . . 2010-01-20 2009-09-24 update BMRB 'complete entry citation' 16518 1 . . 2009-11-20 2009-09-24 original author 'original release' 16518 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3E0U 'X-ray structure of T. cruzi GPXI' 16518 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16518 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19886864 _Citation.Full_citation . _Citation.Title 'Structural insights into the catalytic mechanism of Trypanosoma cruzi GPXI (glutathione peroxidase-like enzyme I).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 425 _Citation.Journal_issue 3 _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 513 _Citation.Page_last 522 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shreenal Patel . . . 16518 1 2 Syeed Hussain . . . 16518 1 3 Richard Harris . . . 16518 1 4 Sunita Sardiwal . . . 16518 1 5 John Kelly . M. . 16518 1 6 Shane Wilkinson . R. . 16518 1 7 Paul Driscoll . C. . 16518 1 8 Snezana Djordjevic . . . 16518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16518 _Assembly.ID 1 _Assembly.Name 'Tc GPXI monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 TcGPXI 1 $TcGPXI A . yes native no no . . . 16518 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 TcGPXI 1 CYS 37 37 HG . 1 TcGPXI 1 CYS 85 85 HG . . 48 CYS HA . . 96 CYS HA 16518 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3E0U . . X-ray 2.3 'identical polypeptide' 'In the X-ray structure the Cys residues appear to be in the reduced state, possible due to X-ray-dependent reduction' 16518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TcGPXI _Entity.Sf_category entity _Entity.Sf_framecode TcGPXI _Entity.Entry_ID 16518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TcGPXI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAKSIYEFQVNAADGKPYDL SQHKGHPLLIYNVASRCGYT KGGYETATTLYNKYKGQGFT VLAFPCNQFAGQEPGTALEV KEFACTRFKADFPIMAKIDV NGSGAKAHPLYEFMKATIPG LFGTKAIKWNFTSFLIDRHG VPVERFSPGASVEDIEKKLL PLLGGARI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3E0U . "Crystal Structure Of T. Cruzi Gpx1" . . . . . 100.00 166 98.81 98.81 2.02e-116 . . . . 16518 1 2 no EMBL CAC85914 . "glutathione peroxidase [Trypanosoma cruzi]" . . . . . 98.81 177 98.80 98.80 3.35e-115 . . . . 16518 1 3 no GB EAN90957 . "trypanothione/tryparedoxin dependent peroxidase 2, putative [Trypanosoma cruzi]" . . . . . 98.81 177 96.99 97.59 5.63e-113 . . . . 16518 1 4 no GB ESS69943 . "trypanothione/tryparedoxin dependent peroxidase 2 [Trypanosoma cruzi Dm28c]" . . . . . 98.81 177 96.99 97.59 2.86e-113 . . . . 16518 1 5 no REF XP_812808 . "trypanothione/tryparedoxin dependent peroxidase 2 [Trypanosoma cruzi strain CL Brener]" . . . . . 98.81 177 96.99 97.59 5.63e-113 . . . . 16518 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 12 GLY . 16518 1 2 13 ALA . 16518 1 3 14 LYS . 16518 1 4 15 SER . 16518 1 5 16 ILE . 16518 1 6 17 TYR . 16518 1 7 18 GLU . 16518 1 8 19 PHE . 16518 1 9 20 GLN . 16518 1 10 21 VAL . 16518 1 11 22 ASN . 16518 1 12 23 ALA . 16518 1 13 24 ALA . 16518 1 14 25 ASP . 16518 1 15 26 GLY . 16518 1 16 27 LYS . 16518 1 17 28 PRO . 16518 1 18 29 TYR . 16518 1 19 30 ASP . 16518 1 20 31 LEU . 16518 1 21 32 SER . 16518 1 22 33 GLN . 16518 1 23 34 HIS . 16518 1 24 35 LYS . 16518 1 25 36 GLY . 16518 1 26 37 HIS . 16518 1 27 38 PRO . 16518 1 28 39 LEU . 16518 1 29 40 LEU . 16518 1 30 41 ILE . 16518 1 31 42 TYR . 16518 1 32 43 ASN . 16518 1 33 44 VAL . 16518 1 34 45 ALA . 16518 1 35 46 SER . 16518 1 36 47 ARG . 16518 1 37 48 CYS . 16518 1 38 49 GLY . 16518 1 39 50 TYR . 16518 1 40 51 THR . 16518 1 41 52 LYS . 16518 1 42 53 GLY . 16518 1 43 54 GLY . 16518 1 44 55 TYR . 16518 1 45 56 GLU . 16518 1 46 57 THR . 16518 1 47 58 ALA . 16518 1 48 59 THR . 16518 1 49 60 THR . 16518 1 50 61 LEU . 16518 1 51 62 TYR . 16518 1 52 63 ASN . 16518 1 53 64 LYS . 16518 1 54 65 TYR . 16518 1 55 66 LYS . 16518 1 56 67 GLY . 16518 1 57 68 GLN . 16518 1 58 69 GLY . 16518 1 59 70 PHE . 16518 1 60 71 THR . 16518 1 61 72 VAL . 16518 1 62 73 LEU . 16518 1 63 74 ALA . 16518 1 64 75 PHE . 16518 1 65 76 PRO . 16518 1 66 77 CYS . 16518 1 67 78 ASN . 16518 1 68 79 GLN . 16518 1 69 80 PHE . 16518 1 70 81 ALA . 16518 1 71 82 GLY . 16518 1 72 83 GLN . 16518 1 73 84 GLU . 16518 1 74 85 PRO . 16518 1 75 86 GLY . 16518 1 76 87 THR . 16518 1 77 88 ALA . 16518 1 78 89 LEU . 16518 1 79 90 GLU . 16518 1 80 91 VAL . 16518 1 81 92 LYS . 16518 1 82 93 GLU . 16518 1 83 94 PHE . 16518 1 84 95 ALA . 16518 1 85 96 CYS . 16518 1 86 97 THR . 16518 1 87 98 ARG . 16518 1 88 99 PHE . 16518 1 89 100 LYS . 16518 1 90 101 ALA . 16518 1 91 102 ASP . 16518 1 92 103 PHE . 16518 1 93 104 PRO . 16518 1 94 105 ILE . 16518 1 95 106 MET . 16518 1 96 107 ALA . 16518 1 97 108 LYS . 16518 1 98 109 ILE . 16518 1 99 110 ASP . 16518 1 100 111 VAL . 16518 1 101 112 ASN . 16518 1 102 113 GLY . 16518 1 103 114 SER . 16518 1 104 115 GLY . 16518 1 105 116 ALA . 16518 1 106 117 LYS . 16518 1 107 118 ALA . 16518 1 108 119 HIS . 16518 1 109 120 PRO . 16518 1 110 121 LEU . 16518 1 111 122 TYR . 16518 1 112 123 GLU . 16518 1 113 124 PHE . 16518 1 114 125 MET . 16518 1 115 126 LYS . 16518 1 116 127 ALA . 16518 1 117 128 THR . 16518 1 118 129 ILE . 16518 1 119 130 PRO . 16518 1 120 131 GLY . 16518 1 121 132 LEU . 16518 1 122 133 PHE . 16518 1 123 134 GLY . 16518 1 124 135 THR . 16518 1 125 136 LYS . 16518 1 126 137 ALA . 16518 1 127 138 ILE . 16518 1 128 139 LYS . 16518 1 129 140 TRP . 16518 1 130 141 ASN . 16518 1 131 142 PHE . 16518 1 132 143 THR . 16518 1 133 144 SER . 16518 1 134 145 PHE . 16518 1 135 146 LEU . 16518 1 136 147 ILE . 16518 1 137 148 ASP . 16518 1 138 149 ARG . 16518 1 139 150 HIS . 16518 1 140 151 GLY . 16518 1 141 152 VAL . 16518 1 142 153 PRO . 16518 1 143 154 VAL . 16518 1 144 155 GLU . 16518 1 145 156 ARG . 16518 1 146 157 PHE . 16518 1 147 158 SER . 16518 1 148 159 PRO . 16518 1 149 160 GLY . 16518 1 150 161 ALA . 16518 1 151 162 SER . 16518 1 152 163 VAL . 16518 1 153 164 GLU . 16518 1 154 165 ASP . 16518 1 155 166 ILE . 16518 1 156 167 GLU . 16518 1 157 168 LYS . 16518 1 158 169 LYS . 16518 1 159 170 LEU . 16518 1 160 171 LEU . 16518 1 161 172 PRO . 16518 1 162 173 LEU . 16518 1 163 174 LEU . 16518 1 164 175 GLY . 16518 1 165 176 GLY . 16518 1 166 177 ALA . 16518 1 167 178 ARG . 16518 1 168 179 ILE . 16518 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 16518 1 . ALA 2 2 16518 1 . LYS 3 3 16518 1 . SER 4 4 16518 1 . ILE 5 5 16518 1 . TYR 6 6 16518 1 . GLU 7 7 16518 1 . PHE 8 8 16518 1 . GLN 9 9 16518 1 . VAL 10 10 16518 1 . ASN 11 11 16518 1 . ALA 12 12 16518 1 . ALA 13 13 16518 1 . ASP 14 14 16518 1 . GLY 15 15 16518 1 . LYS 16 16 16518 1 . PRO 17 17 16518 1 . TYR 18 18 16518 1 . ASP 19 19 16518 1 . LEU 20 20 16518 1 . SER 21 21 16518 1 . GLN 22 22 16518 1 . HIS 23 23 16518 1 . LYS 24 24 16518 1 . GLY 25 25 16518 1 . HIS 26 26 16518 1 . PRO 27 27 16518 1 . LEU 28 28 16518 1 . LEU 29 29 16518 1 . ILE 30 30 16518 1 . TYR 31 31 16518 1 . ASN 32 32 16518 1 . VAL 33 33 16518 1 . ALA 34 34 16518 1 . SER 35 35 16518 1 . ARG 36 36 16518 1 . CYS 37 37 16518 1 . GLY 38 38 16518 1 . TYR 39 39 16518 1 . THR 40 40 16518 1 . LYS 41 41 16518 1 . GLY 42 42 16518 1 . GLY 43 43 16518 1 . TYR 44 44 16518 1 . GLU 45 45 16518 1 . THR 46 46 16518 1 . ALA 47 47 16518 1 . THR 48 48 16518 1 . THR 49 49 16518 1 . LEU 50 50 16518 1 . TYR 51 51 16518 1 . ASN 52 52 16518 1 . LYS 53 53 16518 1 . TYR 54 54 16518 1 . LYS 55 55 16518 1 . GLY 56 56 16518 1 . GLN 57 57 16518 1 . GLY 58 58 16518 1 . PHE 59 59 16518 1 . THR 60 60 16518 1 . VAL 61 61 16518 1 . LEU 62 62 16518 1 . ALA 63 63 16518 1 . PHE 64 64 16518 1 . PRO 65 65 16518 1 . CYS 66 66 16518 1 . ASN 67 67 16518 1 . GLN 68 68 16518 1 . PHE 69 69 16518 1 . ALA 70 70 16518 1 . GLY 71 71 16518 1 . GLN 72 72 16518 1 . GLU 73 73 16518 1 . PRO 74 74 16518 1 . GLY 75 75 16518 1 . THR 76 76 16518 1 . ALA 77 77 16518 1 . LEU 78 78 16518 1 . GLU 79 79 16518 1 . VAL 80 80 16518 1 . LYS 81 81 16518 1 . GLU 82 82 16518 1 . PHE 83 83 16518 1 . ALA 84 84 16518 1 . CYS 85 85 16518 1 . THR 86 86 16518 1 . ARG 87 87 16518 1 . PHE 88 88 16518 1 . LYS 89 89 16518 1 . ALA 90 90 16518 1 . ASP 91 91 16518 1 . PHE 92 92 16518 1 . PRO 93 93 16518 1 . ILE 94 94 16518 1 . MET 95 95 16518 1 . ALA 96 96 16518 1 . LYS 97 97 16518 1 . ILE 98 98 16518 1 . ASP 99 99 16518 1 . VAL 100 100 16518 1 . ASN 101 101 16518 1 . GLY 102 102 16518 1 . SER 103 103 16518 1 . GLY 104 104 16518 1 . ALA 105 105 16518 1 . LYS 106 106 16518 1 . ALA 107 107 16518 1 . HIS 108 108 16518 1 . PRO 109 109 16518 1 . LEU 110 110 16518 1 . TYR 111 111 16518 1 . GLU 112 112 16518 1 . PHE 113 113 16518 1 . MET 114 114 16518 1 . LYS 115 115 16518 1 . ALA 116 116 16518 1 . THR 117 117 16518 1 . ILE 118 118 16518 1 . PRO 119 119 16518 1 . GLY 120 120 16518 1 . LEU 121 121 16518 1 . PHE 122 122 16518 1 . GLY 123 123 16518 1 . THR 124 124 16518 1 . LYS 125 125 16518 1 . ALA 126 126 16518 1 . ILE 127 127 16518 1 . LYS 128 128 16518 1 . TRP 129 129 16518 1 . ASN 130 130 16518 1 . PHE 131 131 16518 1 . THR 132 132 16518 1 . SER 133 133 16518 1 . PHE 134 134 16518 1 . LEU 135 135 16518 1 . ILE 136 136 16518 1 . ASP 137 137 16518 1 . ARG 138 138 16518 1 . HIS 139 139 16518 1 . GLY 140 140 16518 1 . VAL 141 141 16518 1 . PRO 142 142 16518 1 . VAL 143 143 16518 1 . GLU 144 144 16518 1 . ARG 145 145 16518 1 . PHE 146 146 16518 1 . SER 147 147 16518 1 . PRO 148 148 16518 1 . GLY 149 149 16518 1 . ALA 150 150 16518 1 . SER 151 151 16518 1 . VAL 152 152 16518 1 . GLU 153 153 16518 1 . ASP 154 154 16518 1 . ILE 155 155 16518 1 . GLU 156 156 16518 1 . LYS 157 157 16518 1 . LYS 158 158 16518 1 . LEU 159 159 16518 1 . LEU 160 160 16518 1 . PRO 161 161 16518 1 . LEU 162 162 16518 1 . LEU 163 163 16518 1 . GLY 164 164 16518 1 . GLY 165 165 16518 1 . ALA 166 166 16518 1 . ARG 167 167 16518 1 . ILE 168 168 16518 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 16518 _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 $TcGPXI . 5693 organism . 'Trypanosoma cruzi' 'Trypanosoma cruzi' . . Eukaryota . Trypanosoma cruzi . . . . . . . . . . . . . . . . . . . . . 16518 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 16518 _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 $TcGPXI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'Rosetta (DE3)PLysS' . . . . . . 16518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16518 _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 TcGPXI '[U-99% 13C; U-99% 15N]' . . 1 $TcGPXI . . 0.8 . . mM . . . . 16518 1 2 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16518 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 16518 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16518 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16518 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16518 _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' 0.350 . M 16518 1 pH 6.5 . pH 16518 1 pressure 1.0 . atm 16518 1 temperature 298 . K 16518 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 16518 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 16518 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16518 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16518 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16518 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityPlus . 500 . . . 16518 1 2 spectrometer_2 Varian INOVA . 600 . . . 16518 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 16518 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 7 '3D HA(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 1 8 '3D HA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16518 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 16518 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16518 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16518 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16518 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 16518 _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' . . . 16518 1 2 '2D 1H-13C HSQC' . . . 16518 1 3 '3D CBCA(CO)NH' . . . 16518 1 4 '3D HNCACB' . . . 16518 1 5 '3D HNCA' . . . 16518 1 6 '3D HN(CO)CA' . . . 16518 1 7 '3D HA(CA)NH' . . . 16518 1 8 '3D HA(CO)NH' . . . 16518 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ANSIG . . 16518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.904 . . 1 . . . . 14 LYS H . 16518 1 2 . 1 1 3 3 LYS HA H 1 4.53 . . . . . . . 14 LYS HA . 16518 1 3 . 1 1 3 3 LYS C C 13 175 . . . . . . . 14 LYS C . 16518 1 4 . 1 1 3 3 LYS CA C 13 56 . . 1 . . . . 14 LYS CA . 16518 1 5 . 1 1 3 3 LYS CB C 13 34.7 . . 1 . . . . 14 LYS CB . 16518 1 6 . 1 1 3 3 LYS N N 15 118.294 . . 1 . . . . 14 LYS N . 16518 1 7 . 1 1 4 4 SER H H 1 7.287 . . 1 . . . . 15 SER H . 16518 1 8 . 1 1 4 4 SER HA H 1 4.72 . . . . . . . 15 SER HA . 16518 1 9 . 1 1 4 4 SER C C 13 173.4 . . . . . . . 15 SER C . 16518 1 10 . 1 1 4 4 SER CA C 13 57.3 . . 1 . . . . 15 SER CA . 16518 1 11 . 1 1 4 4 SER CB C 13 67.4 . . 1 . . . . 15 SER CB . 16518 1 12 . 1 1 4 4 SER N N 15 113.297 . . 1 . . . . 15 SER N . 16518 1 13 . 1 1 5 5 ILE H H 1 9.22 . . 1 . . . . 16 ILE H . 16518 1 14 . 1 1 5 5 ILE HA H 1 3.98 . . . . . . . 16 ILE HA . 16518 1 15 . 1 1 5 5 ILE C C 13 174.4 . . . . . . . 16 ILE C . 16518 1 16 . 1 1 5 5 ILE CA C 13 64.4 . . 1 . . . . 16 ILE CA . 16518 1 17 . 1 1 5 5 ILE CB C 13 38.9 . . 1 . . . . 16 ILE CB . 16518 1 18 . 1 1 5 5 ILE N N 15 113.064 . . 1 . . . . 16 ILE N . 16518 1 19 . 1 1 6 6 TYR H H 1 7.339 . . 1 . . . . 17 TYR H . 16518 1 20 . 1 1 6 6 TYR HA H 1 4.45 . . . . . . . 17 TYR HA . 16518 1 21 . 1 1 6 6 TYR C C 13 175.2 . . . . . . . 17 TYR C . 16518 1 22 . 1 1 6 6 TYR CA C 13 59.5 . . 1 . . . . 17 TYR CA . 16518 1 23 . 1 1 6 6 TYR CB C 13 36.6 . . 1 . . . . 17 TYR CB . 16518 1 24 . 1 1 6 6 TYR N N 15 115.294 . . 1 . . . . 17 TYR N . 16518 1 25 . 1 1 7 7 GLU H H 1 6.897 . . 1 . . . . 18 GLU H . 16518 1 26 . 1 1 7 7 GLU HA H 1 4.12 . . . . . . . 18 GLU HA . 16518 1 27 . 1 1 7 7 GLU C C 13 173.8 . . . . . . . 18 GLU C . 16518 1 28 . 1 1 7 7 GLU CA C 13 56.6 . . 1 . . . . 18 GLU CA . 16518 1 29 . 1 1 7 7 GLU CB C 13 29.8 . . 1 . . . . 18 GLU CB . 16518 1 30 . 1 1 7 7 GLU N N 15 116.977 . . 1 . . . . 18 GLU N . 16518 1 31 . 1 1 8 8 PHE H H 1 7.324 . . 1 . . . . 19 PHE H . 16518 1 32 . 1 1 8 8 PHE HA H 1 4.66 . . . . . . . 19 PHE HA . 16518 1 33 . 1 1 8 8 PHE C C 13 172.7 . . . . . . . 19 PHE C . 16518 1 34 . 1 1 8 8 PHE CA C 13 58.3 . . 1 . . . . 19 PHE CA . 16518 1 35 . 1 1 8 8 PHE CB C 13 41.7 . . 1 . . . . 19 PHE CB . 16518 1 36 . 1 1 8 8 PHE N N 15 117.788 . . 1 . . . . 19 PHE N . 16518 1 37 . 1 1 9 9 GLN H H 1 8.917 . . 1 . . . . 20 GLN H . 16518 1 38 . 1 1 9 9 GLN HA H 1 4.87 . . . . . . . 20 GLN HA . 16518 1 39 . 1 1 9 9 GLN C C 13 174.7 . . . . . . . 20 GLN C . 16518 1 40 . 1 1 9 9 GLN CA C 13 55.7 . . 1 . . . . 20 GLN CA . 16518 1 41 . 1 1 9 9 GLN CB C 13 30.9 . . 1 . . . . 20 GLN CB . 16518 1 42 . 1 1 9 9 GLN N N 15 120.461 . . 1 . . . . 20 GLN N . 16518 1 43 . 1 1 10 10 VAL H H 1 9.097 . . 1 . . . . 21 VAL H . 16518 1 44 . 1 1 10 10 VAL HA H 1 4.97 . . . . . . . 21 VAL HA . 16518 1 45 . 1 1 10 10 VAL C C 13 173.3 . . . . . . . 21 VAL C . 16518 1 46 . 1 1 10 10 VAL CA C 13 59.4 . . 1 . . . . 21 VAL CA . 16518 1 47 . 1 1 10 10 VAL CB C 13 36.8 . . 1 . . . . 21 VAL CB . 16518 1 48 . 1 1 10 10 VAL N N 15 117.534 . . 1 . . . . 21 VAL N . 16518 1 49 . 1 1 11 11 ASN H H 1 8.698 . . 1 . . . . 22 ASN H . 16518 1 50 . 1 1 11 11 ASN HA H 1 5.42 . . . . . . . 22 ASN HA . 16518 1 51 . 1 1 11 11 ASN C C 13 174.9 . . . . . . . 22 ASN C . 16518 1 52 . 1 1 11 11 ASN CA C 13 52 . . 1 . . . . 22 ASN CA . 16518 1 53 . 1 1 11 11 ASN CB C 13 40 . . 1 . . . . 22 ASN CB . 16518 1 54 . 1 1 11 11 ASN N N 15 119.838 . . 1 . . . . 22 ASN N . 16518 1 55 . 1 1 12 12 ALA H H 1 9.134 . . 1 . . . . 23 ALA H . 16518 1 56 . 1 1 12 12 ALA HA H 1 4.76 . . . . . . . 23 ALA HA . 16518 1 57 . 1 1 12 12 ALA C C 13 176.8 . . . . . . . 23 ALA C . 16518 1 58 . 1 1 12 12 ALA CA C 13 51.8 . . 1 . . . . 23 ALA CA . 16518 1 59 . 1 1 12 12 ALA CB C 13 20.6 . . 1 . . . . 23 ALA CB . 16518 1 60 . 1 1 12 12 ALA N N 15 124.419 . . 1 . . . . 23 ALA N . 16518 1 61 . 1 1 13 13 ALA H H 1 7.949 . . 1 . . . . 24 ALA H . 16518 1 62 . 1 1 13 13 ALA HA H 1 3.63 . . . . . . . 24 ALA HA . 16518 1 63 . 1 1 13 13 ALA C C 13 177.2 . . . . . . . 24 ALA C . 16518 1 64 . 1 1 13 13 ALA CA C 13 55.9 . . 1 . . . . 24 ALA CA . 16518 1 65 . 1 1 13 13 ALA CB C 13 18.8 . . 1 . . . . 24 ALA CB . 16518 1 66 . 1 1 13 13 ALA N N 15 121.021 . . 1 . . . . 24 ALA N . 16518 1 67 . 1 1 14 14 ASP H H 1 7.885 . . 1 . . . . 25 ASP H . 16518 1 68 . 1 1 14 14 ASP HA H 1 4.44 . . . . . . . 25 ASP HA . 16518 1 69 . 1 1 14 14 ASP C C 13 176.1 . . . . . . . 25 ASP C . 16518 1 70 . 1 1 14 14 ASP CA C 13 53.8 . . 1 . . . . 25 ASP CA . 16518 1 71 . 1 1 14 14 ASP CB C 13 39.8 . . 1 . . . . 25 ASP CB . 16518 1 72 . 1 1 14 14 ASP N N 15 114.68 . . 1 . . . . 25 ASP N . 16518 1 73 . 1 1 15 15 GLY H H 1 8.483 . . 1 . . . . 26 GLY H . 16518 1 74 . 1 1 15 15 GLY HA2 H 1 3.66 . . . . . . . 26 GLY HA2 . 16518 1 75 . 1 1 15 15 GLY HA3 H 1 4.296 . . 2 . . . . 26 GLY HA3 . 16518 1 76 . 1 1 15 15 GLY C C 13 172.8 . . . . . . . 26 GLY C . 16518 1 77 . 1 1 15 15 GLY CA C 13 45.3 . . 1 . . . . 26 GLY CA . 16518 1 78 . 1 1 15 15 GLY N N 15 108.535 . . 1 . . . . 26 GLY N . 16518 1 79 . 1 1 16 16 LYS H H 1 7.857 . . 1 . . . . 27 LYS H . 16518 1 80 . 1 1 16 16 LYS HA H 1 4.66 . . . . . . . 27 LYS HA . 16518 1 81 . 1 1 16 16 LYS C C 13 173 . . . . . . . 27 LYS C . 16518 1 82 . 1 1 16 16 LYS CA C 13 54.4 . . 1 . . . . 27 LYS CA . 16518 1 83 . 1 1 16 16 LYS CB C 13 31.8 . . 1 . . . . 27 LYS CB . 16518 1 84 . 1 1 16 16 LYS N N 15 121.636 . . 1 . . . . 27 LYS N . 16518 1 85 . 1 1 17 17 PRO HA H 1 4.84 . . . . . . . 28 PRO HA . 16518 1 86 . 1 1 17 17 PRO C C 13 175.6 . . . . . . . 28 PRO C . 16518 1 87 . 1 1 17 17 PRO CA C 13 64.3 . . 1 . . . . 28 PRO CA . 16518 1 88 . 1 1 17 17 PRO CB C 13 32.5 . . 1 . . . . 28 PRO CB . 16518 1 89 . 1 1 18 18 TYR H H 1 9.379 . . 1 . . . . 29 TYR H . 16518 1 90 . 1 1 18 18 TYR HA H 1 4.66 . . . . . . . 29 TYR HA . 16518 1 91 . 1 1 18 18 TYR C C 13 174.6 . . . . . . . 29 TYR C . 16518 1 92 . 1 1 18 18 TYR CA C 13 57.1 . . 1 . . . . 29 TYR CA . 16518 1 93 . 1 1 18 18 TYR CB C 13 41.5 . . 1 . . . . 29 TYR CB . 16518 1 94 . 1 1 18 18 TYR N N 15 126.497 . . 1 . . . . 29 TYR N . 16518 1 95 . 1 1 19 19 ASP H H 1 8.302 . . 1 . . . . 30 ASP H . 16518 1 96 . 1 1 19 19 ASP HA H 1 4.78 . . . . . . . 30 ASP HA . 16518 1 97 . 1 1 19 19 ASP C C 13 175.3 . . . . . . . 30 ASP C . 16518 1 98 . 1 1 19 19 ASP CA C 13 52.7 . . 1 . . . . 30 ASP CA . 16518 1 99 . 1 1 19 19 ASP CB C 13 39.1 . . 1 . . . . 30 ASP CB . 16518 1 100 . 1 1 19 19 ASP N N 15 127.314 . . 1 . . . . 30 ASP N . 16518 1 101 . 1 1 20 20 LEU H H 1 8.421 . . 1 . . . . 31 LEU H . 16518 1 102 . 1 1 20 20 LEU HA H 1 4.33 . . . . . . . 31 LEU HA . 16518 1 103 . 1 1 20 20 LEU C C 13 176.8 . . . . . . . 31 LEU C . 16518 1 104 . 1 1 20 20 LEU CA C 13 58.1 . . 1 . . . . 31 LEU CA . 16518 1 105 . 1 1 20 20 LEU CB C 13 43.7 . . 1 . . . . 31 LEU CB . 16518 1 106 . 1 1 20 20 LEU N N 15 130.09 . . 1 . . . . 31 LEU N . 16518 1 107 . 1 1 21 21 SER H H 1 8.33 . . 1 . . . . 32 SER H . 16518 1 108 . 1 1 21 21 SER HA H 1 3.86 . . . . . . . 32 SER HA . 16518 1 109 . 1 1 21 21 SER C C 13 174.7 . . . . . . . 32 SER C . 16518 1 110 . 1 1 21 21 SER CA C 13 61.8 . . 1 . . . . 32 SER CA . 16518 1 111 . 1 1 21 21 SER CB C 13 62.9 . . 1 . . . . 32 SER CB . 16518 1 112 . 1 1 21 21 SER N N 15 110.802 . . 1 . . . . 32 SER N . 16518 1 113 . 1 1 22 22 GLN H H 1 7.141 . . 1 . . . . 33 GLN H . 16518 1 114 . 1 1 22 22 GLN HA H 1 4.18 . . . . . . . 33 GLN HA . 16518 1 115 . 1 1 22 22 GLN C C 13 174.9 . . . . . . . 33 GLN C . 16518 1 116 . 1 1 22 22 GLN CA C 13 57.7 . . 1 . . . . 33 GLN CA . 16518 1 117 . 1 1 22 22 GLN CB C 13 29.1 . . 1 . . . . 33 GLN CB . 16518 1 118 . 1 1 22 22 GLN N N 15 122.072 . . 1 . . . . 33 GLN N . 16518 1 119 . 1 1 23 23 HIS H H 1 7.742 . . 1 . . . . 34 HIS H . 16518 1 120 . 1 1 23 23 HIS HA H 1 4.72 . . . . . . . 34 HIS HA . 16518 1 121 . 1 1 23 23 HIS C C 13 172.8 . . . . . . . 34 HIS C . 16518 1 122 . 1 1 23 23 HIS CA C 13 56 . . 1 . . . . 34 HIS CA . 16518 1 123 . 1 1 23 23 HIS CB C 13 29.4 . . 1 . . . . 34 HIS CB . 16518 1 124 . 1 1 23 23 HIS N N 15 118.82 . . 1 . . . . 34 HIS N . 16518 1 125 . 1 1 24 24 LYS H H 1 7.019 . . 1 . . . . 35 LYS H . 16518 1 126 . 1 1 24 24 LYS HA H 1 3.87 . . . . . . . 35 LYS HA . 16518 1 127 . 1 1 24 24 LYS C C 13 176.3 . . . . . . . 35 LYS C . 16518 1 128 . 1 1 24 24 LYS CA C 13 58.8 . . 1 . . . . 35 LYS CA . 16518 1 129 . 1 1 24 24 LYS CB C 13 32.4 . . 1 . . . . 35 LYS CB . 16518 1 130 . 1 1 24 24 LYS N N 15 119.932 . . 1 . . . . 35 LYS N . 16518 1 131 . 1 1 25 25 GLY H H 1 7.946 . . 1 . . . . 36 GLY H . 16518 1 132 . 1 1 25 25 GLY HA2 H 1 3.54 . . . . . . . 36 GLY HA2 . 16518 1 133 . 1 1 25 25 GLY C C 13 172.4 . . . . . . . 36 GLY C . 16518 1 134 . 1 1 25 25 GLY CA C 13 44.9 . . 1 . . . . 36 GLY CA . 16518 1 135 . 1 1 25 25 GLY N N 15 113.127 . . 1 . . . . 36 GLY N . 16518 1 136 . 1 1 26 26 HIS H H 1 8.292 . . 1 . . . . 37 HIS H . 16518 1 137 . 1 1 26 26 HIS HA H 1 5.18 . . . . . . . 37 HIS HA . 16518 1 138 . 1 1 26 26 HIS C C 13 170.1 . . . . . . . 37 HIS C . 16518 1 139 . 1 1 26 26 HIS CA C 13 53.1 . . 1 . . . . 37 HIS CA . 16518 1 140 . 1 1 26 26 HIS CB C 13 31.3 . . 1 . . . . 37 HIS CB . 16518 1 141 . 1 1 26 26 HIS N N 15 119.133 . . 1 . . . . 37 HIS N . 16518 1 142 . 1 1 27 27 PRO HA H 1 4.99 . . . . . . . 38 PRO HA . 16518 1 143 . 1 1 27 27 PRO C C 13 173.6 . . . . . . . 38 PRO C . 16518 1 144 . 1 1 27 27 PRO CA C 13 62.7 . . 1 . . . . 38 PRO CA . 16518 1 145 . 1 1 27 27 PRO CB C 13 33.6 . . 1 . . . . 38 PRO CB . 16518 1 146 . 1 1 28 28 LEU H H 1 8.386 . . 1 . . . . 39 LEU H . 16518 1 147 . 1 1 28 28 LEU HA H 1 4.95 . . . . . . . 39 LEU HA . 16518 1 148 . 1 1 28 28 LEU C C 13 173.4 . . . . . . . 39 LEU C . 16518 1 149 . 1 1 28 28 LEU CA C 13 55.6 . . 1 . . . . 39 LEU CA . 16518 1 150 . 1 1 28 28 LEU CB C 13 45.5 . . 1 . . . . 39 LEU CB . 16518 1 151 . 1 1 28 28 LEU N N 15 113.753 . . 1 . . . . 39 LEU N . 16518 1 152 . 1 1 29 29 LEU H H 1 7.656 . . 1 . . . . 40 LEU H . 16518 1 153 . 1 1 29 29 LEU HA H 1 5.53 . . . . . . . 40 LEU HA . 16518 1 154 . 1 1 29 29 LEU C C 13 174 . . . . . . . 40 LEU C . 16518 1 155 . 1 1 29 29 LEU CA C 13 53.6 . . 1 . . . . 40 LEU CA . 16518 1 156 . 1 1 29 29 LEU CB C 13 48.5 . . 1 . . . . 40 LEU CB . 16518 1 157 . 1 1 29 29 LEU N N 15 121.451 . . 1 . . . . 40 LEU N . 16518 1 158 . 1 1 30 30 ILE H H 1 8.897 . . 1 . . . . 41 ILE H . 16518 1 159 . 1 1 30 30 ILE HA H 1 4.97 . . . . . . . 41 ILE HA . 16518 1 160 . 1 1 30 30 ILE C C 13 175.3 . . . . . . . 41 ILE C . 16518 1 161 . 1 1 30 30 ILE CA C 13 61.5 . . 1 . . . . 41 ILE CA . 16518 1 162 . 1 1 30 30 ILE CB C 13 40.6 . . 1 . . . . 41 ILE CB . 16518 1 163 . 1 1 30 30 ILE N N 15 122.179 . . 1 . . . . 41 ILE N . 16518 1 164 . 1 1 31 31 TYR H H 1 9.162 . . 1 . . . . 42 TYR H . 16518 1 165 . 1 1 31 31 TYR HA H 1 5.44 . . . . . . . 42 TYR HA . 16518 1 166 . 1 1 31 31 TYR C C 13 174.3 . . . . . . . 42 TYR C . 16518 1 167 . 1 1 31 31 TYR CA C 13 57.7 . . 1 . . . . 42 TYR CA . 16518 1 168 . 1 1 31 31 TYR CB C 13 43.5 . . 1 . . . . 42 TYR CB . 16518 1 169 . 1 1 31 31 TYR N N 15 126.72 . . 1 . . . . 42 TYR N . 16518 1 170 . 1 1 32 32 ASN H H 1 8.003 . . 1 . . . . 43 ASN H . 16518 1 171 . 1 1 32 32 ASN HA H 1 5.91 . . . . . . . 43 ASN HA . 16518 1 172 . 1 1 32 32 ASN C C 13 173.9 . . . . . . . 43 ASN C . 16518 1 173 . 1 1 32 32 ASN CA C 13 52.1 . . 1 . . . . 43 ASN CA . 16518 1 174 . 1 1 32 32 ASN CB C 13 39 . . 1 . . . . 43 ASN CB . 16518 1 175 . 1 1 32 32 ASN N N 15 116.472 . . 1 . . . . 43 ASN N . 16518 1 176 . 1 1 33 33 VAL H H 1 8.539 . . 1 . . . . 44 VAL H . 16518 1 177 . 1 1 33 33 VAL HA H 1 4.08 . . . . . . . 44 VAL HA . 16518 1 178 . 1 1 33 33 VAL C C 13 173.7 . . . . . . . 44 VAL C . 16518 1 179 . 1 1 33 33 VAL CA C 13 58.4 . . 1 . . . . 44 VAL CA . 16518 1 180 . 1 1 33 33 VAL CB C 13 35 . . 1 . . . . 44 VAL CB . 16518 1 181 . 1 1 33 33 VAL N N 15 115.892 . . 1 . . . . 44 VAL N . 16518 1 182 . 1 1 34 34 ALA H H 1 7.363 . . 1 . . . . 45 ALA H . 16518 1 183 . 1 1 34 34 ALA HA H 1 4.62 . . . . . . . 45 ALA HA . 16518 1 184 . 1 1 34 34 ALA C C 13 176.3 . . . . . . . 45 ALA C . 16518 1 185 . 1 1 34 34 ALA CA C 13 52.4 . . 1 . . . . 45 ALA CA . 16518 1 186 . 1 1 34 34 ALA CB C 13 20.3 . . 1 . . . . 45 ALA CB . 16518 1 187 . 1 1 34 34 ALA N N 15 124.209 . . 1 . . . . 45 ALA N . 16518 1 188 . 1 1 35 35 SER H H 1 8.268 . . 1 . . . . 46 SER H . 16518 1 189 . 1 1 35 35 SER HA H 1 4.39 . . . . . . . 46 SER HA . 16518 1 190 . 1 1 35 35 SER CA C 13 59.4 . . 1 . . . . 46 SER CA . 16518 1 191 . 1 1 35 35 SER CB C 13 63.7 . . 1 . . . . 46 SER CB . 16518 1 192 . 1 1 35 35 SER N N 15 115.306 . . 1 . . . . 46 SER N . 16518 1 193 . 1 1 36 36 ARG H H 1 8.075 . . 1 . . . . 47 ARG H . 16518 1 194 . 1 1 36 36 ARG HA H 1 4.6 . . . . . . . 47 ARG HA . 16518 1 195 . 1 1 36 36 ARG C C 13 174.8 . . . . . . . 47 ARG C . 16518 1 196 . 1 1 36 36 ARG CA C 13 56 . . 1 . . . . 47 ARG CA . 16518 1 197 . 1 1 36 36 ARG CB C 13 32.1 . . 1 . . . . 47 ARG CB . 16518 1 198 . 1 1 36 36 ARG N N 15 121.76 . . 1 . . . . 47 ARG N . 16518 1 199 . 1 1 37 37 CYS HA H 1 4.62 . . . . . . . 48 CYS HA . 16518 1 200 . 1 1 37 37 CYS C C 13 173.7 . . . . . . . 48 CYS C . 16518 1 201 . 1 1 37 37 CYS CA C 13 56.4 . . 1 . . . . 48 CYS CA . 16518 1 202 . 1 1 37 37 CYS CB C 13 42 . . 1 . . . . 48 CYS CB . 16518 1 203 . 1 1 38 38 GLY H H 1 8.405 . . 1 . . . . 49 GLY H . 16518 1 204 . 1 1 38 38 GLY HA2 H 1 3.95 . . . . . . . 49 GLY HA2 . 16518 1 205 . 1 1 38 38 GLY C C 13 172.6 . . . . . . . 49 GLY C . 16518 1 206 . 1 1 38 38 GLY CA C 13 45.8 . . 1 . . . . 49 GLY CA . 16518 1 207 . 1 1 38 38 GLY N N 15 109.639 . . 1 . . . . 49 GLY N . 16518 1 208 . 1 1 39 39 TYR H H 1 8.086 . . 1 . . . . 50 TYR H . 16518 1 209 . 1 1 39 39 TYR HA H 1 4.58 . . . . . . . 50 TYR HA . 16518 1 210 . 1 1 39 39 TYR C C 13 174.6 . . . . . . . 50 TYR C . 16518 1 211 . 1 1 39 39 TYR CA C 13 58.4 . . 1 . . . . 50 TYR CA . 16518 1 212 . 1 1 39 39 TYR CB C 13 39.3 . . 1 . . . . 50 TYR CB . 16518 1 213 . 1 1 39 39 TYR N N 15 120.128 . . 1 . . . . 50 TYR N . 16518 1 214 . 1 1 40 40 THR H H 1 7.819 . . 1 . . . . 51 THR H . 16518 1 215 . 1 1 40 40 THR HA H 1 4.24 . . . . . . . 51 THR HA . 16518 1 216 . 1 1 40 40 THR C C 13 173 . . . . . . . 51 THR C . 16518 1 217 . 1 1 40 40 THR CA C 13 61.6 . . 1 . . . . 51 THR CA . 16518 1 218 . 1 1 40 40 THR CB C 13 70 . . 1 . . . . 51 THR CB . 16518 1 219 . 1 1 40 40 THR N N 15 115.46 . . 1 . . . . 51 THR N . 16518 1 220 . 1 1 41 41 LYS H H 1 7.919 . . 1 . . . . 52 LYS H . 16518 1 221 . 1 1 41 41 LYS HA H 1 4.26 . . . . . . . 52 LYS HA . 16518 1 222 . 1 1 41 41 LYS C C 13 176.1 . . . . . . . 52 LYS C . 16518 1 223 . 1 1 41 41 LYS CA C 13 56.9 . . 1 . . . . 52 LYS CA . 16518 1 224 . 1 1 41 41 LYS CB C 13 33.1 . . 1 . . . . 52 LYS CB . 16518 1 225 . 1 1 41 41 LYS N N 15 122.787 . . 1 . . . . 52 LYS N . 16518 1 226 . 1 1 42 42 GLY H H 1 8.635 . . 1 . . . . 53 GLY H . 16518 1 227 . 1 1 42 42 GLY HA2 H 1 3.76 . . . . . . . 53 GLY HA2 . 16518 1 228 . 1 1 42 42 GLY HA3 H 1 3.99 . . 2 . . . . 53 GLY HA3 . 16518 1 229 . 1 1 42 42 GLY C C 13 174.3 . . . . . . . 53 GLY C . 16518 1 230 . 1 1 42 42 GLY CA C 13 46.3 . . 1 . . . . 53 GLY CA . 16518 1 231 . 1 1 42 42 GLY N N 15 110.604 . . 1 . . . . 53 GLY N . 16518 1 232 . 1 1 43 43 GLY H H 1 8.1 . . 1 . . . . 54 GLY H . 16518 1 233 . 1 1 43 43 GLY HA2 H 1 3.12 . . . . . . . 54 GLY HA2 . 16518 1 234 . 1 1 43 43 GLY HA3 H 1 3.7 . . 2 . . . . 54 GLY HA3 . 16518 1 235 . 1 1 43 43 GLY C C 13 173 . . . . . . . 54 GLY C . 16518 1 236 . 1 1 43 43 GLY CA C 13 46.7 . . 1 . . . . 54 GLY CA . 16518 1 237 . 1 1 43 43 GLY N N 15 110.767 . . 1 . . . . 54 GLY N . 16518 1 238 . 1 1 44 44 TYR H H 1 7.632 . . 1 . . . . 55 TYR H . 16518 1 239 . 1 1 44 44 TYR HA H 1 3.93 . . . . . . . 55 TYR HA . 16518 1 240 . 1 1 44 44 TYR C C 13 176.9 . . . . . . . 55 TYR C . 16518 1 241 . 1 1 44 44 TYR CA C 13 61.4 . . 1 . . . . 55 TYR CA . 16518 1 242 . 1 1 44 44 TYR CB C 13 42.8 . . 1 . . . . 55 TYR CB . 16518 1 243 . 1 1 44 44 TYR N N 15 119.06 . . 1 . . . . 55 TYR N . 16518 1 244 . 1 1 45 45 GLU H H 1 8.151 . . 1 . . . . 56 GLU H . 16518 1 245 . 1 1 45 45 GLU HA H 1 3.98 . . . . . . . 56 GLU HA . 16518 1 246 . 1 1 45 45 GLU C C 13 177.9 . . . . . . . 56 GLU C . 16518 1 247 . 1 1 45 45 GLU CA C 13 60.2 . . 1 . . . . 56 GLU CA . 16518 1 248 . 1 1 45 45 GLU CB C 13 29.4 . . 1 . . . . 56 GLU CB . 16518 1 249 . 1 1 45 45 GLU N N 15 122.01 . . 1 . . . . 56 GLU N . 16518 1 250 . 1 1 46 46 THR H H 1 8.173 . . 1 . . . . 57 THR H . 16518 1 251 . 1 1 46 46 THR HA H 1 3.66 . . . . . . . 57 THR HA . 16518 1 252 . 1 1 46 46 THR C C 13 174 . . . . . . . 57 THR C . 16518 1 253 . 1 1 46 46 THR CA C 13 66.7 . . 1 . . . . 57 THR CA . 16518 1 254 . 1 1 46 46 THR CB C 13 68.8 . . 1 . . . . 57 THR CB . 16518 1 255 . 1 1 46 46 THR N N 15 120.002 . . 1 . . . . 57 THR N . 16518 1 256 . 1 1 47 47 ALA H H 1 7.986 . . 1 . . . . 58 ALA H . 16518 1 257 . 1 1 47 47 ALA HA H 1 3.82 . . . . . . . 58 ALA HA . 16518 1 258 . 1 1 47 47 ALA C C 13 178.2 . . . . . . . 58 ALA C . 16518 1 259 . 1 1 47 47 ALA CA C 13 55.9 . . 1 . . . . 58 ALA CA . 16518 1 260 . 1 1 47 47 ALA CB C 13 19.3 . . 1 . . . . 58 ALA CB . 16518 1 261 . 1 1 47 47 ALA N N 15 122.892 . . 1 . . . . 58 ALA N . 16518 1 262 . 1 1 48 48 THR H H 1 8.134 . . 1 . . . . 59 THR H . 16518 1 263 . 1 1 48 48 THR HA H 1 3.98 . . . . . . . 59 THR HA . 16518 1 264 . 1 1 48 48 THR C C 13 175.5 . . . . . . . 59 THR C . 16518 1 265 . 1 1 48 48 THR CA C 13 67.7 . . 1 . . . . 59 THR CA . 16518 1 266 . 1 1 48 48 THR CB C 13 69.3 . . 1 . . . . 59 THR CB . 16518 1 267 . 1 1 48 48 THR N N 15 112.625 . . 1 . . . . 59 THR N . 16518 1 268 . 1 1 49 49 THR H H 1 8.508 . . 1 . . . . 60 THR H . 16518 1 269 . 1 1 49 49 THR HA H 1 3.98 . . . . . . . 60 THR HA . 16518 1 270 . 1 1 49 49 THR C C 13 176 . . . . . . . 60 THR C . 16518 1 271 . 1 1 49 49 THR CA C 13 67.3 . . 1 . . . . 60 THR CA . 16518 1 272 . 1 1 49 49 THR CB C 13 68.6 . . 1 . . . . 60 THR CB . 16518 1 273 . 1 1 49 49 THR N N 15 120.03 . . 1 . . . . 60 THR N . 16518 1 274 . 1 1 50 50 LEU H H 1 8.296 . . 1 . . . . 61 LEU H . 16518 1 275 . 1 1 50 50 LEU HA H 1 3.92 . . . . . . . 61 LEU HA . 16518 1 276 . 1 1 50 50 LEU C C 13 177.1 . . . . . . . 61 LEU C . 16518 1 277 . 1 1 50 50 LEU CA C 13 58.6 . . 1 . . . . 61 LEU CA . 16518 1 278 . 1 1 50 50 LEU CB C 13 42.8 . . 1 . . . . 61 LEU CB . 16518 1 279 . 1 1 50 50 LEU N N 15 120.67 . . 1 . . . . 61 LEU N . 16518 1 280 . 1 1 51 51 TYR H H 1 8.7 . . 1 . . . . 62 TYR H . 16518 1 281 . 1 1 51 51 TYR HA H 1 4.29 . . . . . . . 62 TYR HA . 16518 1 282 . 1 1 51 51 TYR C C 13 175.4 . . . . . . . 62 TYR C . 16518 1 283 . 1 1 51 51 TYR CA C 13 62.6 . . 1 . . . . 62 TYR CA . 16518 1 284 . 1 1 51 51 TYR CB C 13 39 . . 1 . . . . 62 TYR CB . 16518 1 285 . 1 1 51 51 TYR N N 15 118.329 . . 1 . . . . 62 TYR N . 16518 1 286 . 1 1 52 52 ASN H H 1 8.418 . . 1 . . . . 63 ASN H . 16518 1 287 . 1 1 52 52 ASN HA H 1 4.16 . . . . . . . 63 ASN HA . 16518 1 288 . 1 1 52 52 ASN C C 13 176.6 . . . . . . . 63 ASN C . 16518 1 289 . 1 1 52 52 ASN CA C 13 56.6 . . 1 . . . . 63 ASN CA . 16518 1 290 . 1 1 52 52 ASN CB C 13 38.8 . . 1 . . . . 63 ASN CB . 16518 1 291 . 1 1 52 52 ASN N N 15 114.339 . . 1 . . . . 63 ASN N . 16518 1 292 . 1 1 53 53 LYS H H 1 8.017 . . 1 . . . . 64 LYS H . 16518 1 293 . 1 1 53 53 LYS HA H 1 3.83 . . . . . . . 64 LYS HA . 16518 1 294 . 1 1 53 53 LYS C C 13 177.8 . . . . . . . 64 LYS C . 16518 1 295 . 1 1 53 53 LYS CA C 13 59.8 . . 1 . . . . 64 LYS CA . 16518 1 296 . 1 1 53 53 LYS CB C 13 34.3 . . 1 . . . . 64 LYS CB . 16518 1 297 . 1 1 53 53 LYS N N 15 119.123 . . 1 . . . . 64 LYS N . 16518 1 298 . 1 1 54 54 TYR H H 1 7.54 . . . . . . . 65 TYR HN . 16518 1 299 . 1 1 54 54 TYR HA H 1 4.92 . . . . . . . 65 TYR HA . 16518 1 300 . 1 1 54 54 TYR C C 13 176.7 . . . . . . . 65 TYR CO . 16518 1 301 . 1 1 54 54 TYR CA C 13 59.0 . . . . . . . 65 TYR CA . 16518 1 302 . 1 1 54 54 TYR CB C 13 39.3 . . . . . . . 65 TYR CB . 16518 1 303 . 1 1 54 54 TYR N N 15 111.763 . . . . . . . 65 TYR N . 16518 1 304 . 1 1 55 55 LYS H H 1 8.574 . . 1 . . . . 66 LYS H . 16518 1 305 . 1 1 55 55 LYS HA H 1 4.88 . . . . . . . 66 LYS HA . 16518 1 306 . 1 1 55 55 LYS C C 13 179 . . . . . . . 66 LYS C . 16518 1 307 . 1 1 55 55 LYS CA C 13 59.3 . . 1 . . . . 66 LYS CA . 16518 1 308 . 1 1 55 55 LYS CB C 13 30.1 . . 1 . . . . 66 LYS CB . 16518 1 309 . 1 1 55 55 LYS N N 15 123.834 . . 1 . . . . 66 LYS N . 16518 1 310 . 1 1 56 56 GLY H H 1 8.897 . . 1 . . . . 67 GLY H . 16518 1 311 . 1 1 56 56 GLY HA2 H 1 3.85 . . . . . . . 67 GLY HA2 . 16518 1 312 . 1 1 56 56 GLY HA3 H 1 4.03 . . 2 . . . . 67 GLY HA3 . 16518 1 313 . 1 1 56 56 GLY C C 13 174.2 . . . . . . . 67 GLY C . 16518 1 314 . 1 1 56 56 GLY CA C 13 46.3 . . 1 . . . . 67 GLY CA . 16518 1 315 . 1 1 56 56 GLY N N 15 110.469 . . 1 . . . . 67 GLY N . 16518 1 316 . 1 1 57 57 GLN H H 1 7.907 . . 1 . . . . 68 GLN H . 16518 1 317 . 1 1 57 57 GLN HA H 1 4.64 . . . . . . . 68 GLN HA . 16518 1 318 . 1 1 57 57 GLN C C 13 174.8 . . . . . . . 68 GLN C . 16518 1 319 . 1 1 57 57 GLN CA C 13 55.6 . . 1 . . . . 68 GLN CA . 16518 1 320 . 1 1 57 57 GLN CB C 13 30.7 . . 1 . . . . 68 GLN CB . 16518 1 321 . 1 1 57 57 GLN N N 15 117.648 . . 1 . . . . 68 GLN N . 16518 1 322 . 1 1 58 58 GLY H H 1 7.859 . . 1 . . . . 69 GLY H . 16518 1 323 . 1 1 58 58 GLY HA2 H 1 3.45 . . . . . . . 69 GLY HA2 . 16518 1 324 . 1 1 58 58 GLY HA3 H 1 3.6 . . 2 . . . . 69 GLY HA3 . 16518 1 325 . 1 1 58 58 GLY C C 13 171.7 . . . . . . . 69 GLY C . 16518 1 326 . 1 1 58 58 GLY CA C 13 45.1 . . 1 . . . . 69 GLY CA . 16518 1 327 . 1 1 58 58 GLY N N 15 107.382 . . 1 . . . . 69 GLY N . 16518 1 328 . 1 1 59 59 PHE H H 1 6.81 . . 1 . . . . 70 PHE H . 16518 1 329 . 1 1 59 59 PHE HA H 1 4.98 . . . . . . . 70 PHE HA . 16518 1 330 . 1 1 59 59 PHE C C 13 173.2 . . . . . . . 70 PHE C . 16518 1 331 . 1 1 59 59 PHE CA C 13 57.4 . . 1 . . . . 70 PHE CA . 16518 1 332 . 1 1 59 59 PHE CB C 13 41.9 . . 1 . . . . 70 PHE CB . 16518 1 333 . 1 1 59 59 PHE N N 15 118.774 . . 1 . . . . 70 PHE N . 16518 1 334 . 1 1 60 60 THR H H 1 6.232 . . 1 . . . . 71 THR H . 16518 1 335 . 1 1 60 60 THR HA H 1 4.45 . . . . . . . 71 THR HA . 16518 1 336 . 1 1 60 60 THR C C 13 169.2 . . . . . . . 71 THR C . 16518 1 337 . 1 1 60 60 THR CA C 13 60.9 . . 1 . . . . 71 THR CA . 16518 1 338 . 1 1 60 60 THR CB C 13 70.6 . . 1 . . . . 71 THR CB . 16518 1 339 . 1 1 60 60 THR N N 15 118.86 . . 1 . . . . 71 THR N . 16518 1 340 . 1 1 61 61 VAL H H 1 6.826 . . 1 . . . . 72 VAL H . 16518 1 341 . 1 1 61 61 VAL HA H 1 4.66 . . . . . . . 72 VAL HA . 16518 1 342 . 1 1 61 61 VAL C C 13 172.1 . . . . . . . 72 VAL C . 16518 1 343 . 1 1 61 61 VAL CA C 13 59.9 . . 1 . . . . 72 VAL CA . 16518 1 344 . 1 1 61 61 VAL CB C 13 35.3 . . 1 . . . . 72 VAL CB . 16518 1 345 . 1 1 61 61 VAL N N 15 121.862 . . 1 . . . . 72 VAL N . 16518 1 346 . 1 1 62 62 LEU H H 1 8.167 . . 1 . . . . 73 LEU H . 16518 1 347 . 1 1 62 62 LEU HA H 1 4.87 . . . . . . . 73 LEU HA . 16518 1 348 . 1 1 62 62 LEU C C 13 174.8 . . . . . . . 73 LEU C . 16518 1 349 . 1 1 62 62 LEU CA C 13 52.9 . . 1 . . . . 73 LEU CA . 16518 1 350 . 1 1 62 62 LEU CB C 13 45.5 . . 1 . . . . 73 LEU CB . 16518 1 351 . 1 1 62 62 LEU N N 15 120.203 . . 1 . . . . 73 LEU N . 16518 1 352 . 1 1 63 63 ALA H H 1 7.904 . . 1 . . . . 74 ALA H . 16518 1 353 . 1 1 63 63 ALA HA H 1 5.35 . . . . . . . 74 ALA HA . 16518 1 354 . 1 1 63 63 ALA C C 13 173.9 . . . . . . . 74 ALA C . 16518 1 355 . 1 1 63 63 ALA CA C 13 49.7 . . 1 . . . . 74 ALA CA . 16518 1 356 . 1 1 63 63 ALA CB C 13 22.7 . . 1 . . . . 74 ALA CB . 16518 1 357 . 1 1 63 63 ALA N N 15 122.185 . . 1 . . . . 74 ALA N . 16518 1 358 . 1 1 64 64 PHE H H 1 9.434 . . 1 . . . . 75 PHE H . 16518 1 359 . 1 1 64 64 PHE HA H 1 4.6 . . . . . . . 75 PHE HA . 16518 1 360 . 1 1 64 64 PHE C C 13 172.4 . . . . . . . 75 PHE C . 16518 1 361 . 1 1 64 64 PHE CA C 13 55.1 . . 1 . . . . 75 PHE CA . 16518 1 362 . 1 1 64 64 PHE CB C 13 39.9 . . 1 . . . . 75 PHE CB . 16518 1 363 . 1 1 64 64 PHE N N 15 122.783 . . 1 . . . . 75 PHE N . 16518 1 364 . 1 1 65 65 PRO HA H 1 4.58 . . . . . . . 76 PRO HA . 16518 1 365 . 1 1 65 65 PRO C C 13 174.3 . . . . . . . 76 PRO C . 16518 1 366 . 1 1 65 65 PRO CA C 13 62 . . 1 . . . . 76 PRO CA . 16518 1 367 . 1 1 65 65 PRO CB C 13 32.3 . . 1 . . . . 76 PRO CB . 16518 1 368 . 1 1 66 66 CYS H H 1 8.442 . . 1 . . . . 77 CYS H . 16518 1 369 . 1 1 66 66 CYS HA H 1 4.63 . . . . . . . 77 CYS HA . 16518 1 370 . 1 1 66 66 CYS C C 13 174.1 . . . . . . . 77 CYS C . 16518 1 371 . 1 1 66 66 CYS CA C 13 58.1 . . 1 . . . . 77 CYS CA . 16518 1 372 . 1 1 66 66 CYS CB C 13 29.9 . . 1 . . . . 77 CYS CB . 16518 1 373 . 1 1 66 66 CYS N N 15 119.213 . . 1 . . . . 77 CYS N . 16518 1 374 . 1 1 67 67 ASN HA H 1 5.19 . . . . . . . 78 ASN HA . 16518 1 375 . 1 1 67 67 ASN C C 13 175.9 . . . . . . . 78 ASN C . 16518 1 376 . 1 1 67 67 ASN CA C 13 53.1 . . 1 . . . . 78 ASN CA . 16518 1 377 . 1 1 67 67 ASN CB C 13 39.6 . . 1 . . . . 78 ASN CB . 16518 1 378 . 1 1 68 68 GLN H H 1 7.696 . . 1 . . . . 79 GLN H . 16518 1 379 . 1 1 68 68 GLN HA H 1 3.86 . . . . . . . 79 GLN HA . 16518 1 380 . 1 1 68 68 GLN C C 13 173.8 . . . . . . . 79 GLN C . 16518 1 381 . 1 1 68 68 GLN CA C 13 59 . . 1 . . . . 79 GLN CA . 16518 1 382 . 1 1 68 68 GLN CB C 13 29.9 . . 1 . . . . 79 GLN CB . 16518 1 383 . 1 1 68 68 GLN N N 15 116.784 . . 1 . . . . 79 GLN N . 16518 1 384 . 1 1 69 69 PHE H H 1 8.147 . . 1 . . . . 80 PHE H . 16518 1 385 . 1 1 69 69 PHE HA H 1 4.74 . . . . . . . 80 PHE HA . 16518 1 386 . 1 1 69 69 PHE C C 13 174.5 . . . . . . . 80 PHE C . 16518 1 387 . 1 1 69 69 PHE CA C 13 56.5 . . 1 . . . . 80 PHE CA . 16518 1 388 . 1 1 69 69 PHE CB C 13 38 . . 1 . . . . 80 PHE CB . 16518 1 389 . 1 1 69 69 PHE N N 15 118.396 . . 1 . . . . 80 PHE N . 16518 1 390 . 1 1 70 70 ALA H H 1 7.669 . . 1 . . . . 81 ALA H . 16518 1 391 . 1 1 70 70 ALA HA H 1 4.37 . . . . . . . 81 ALA HA . 16518 1 392 . 1 1 70 70 ALA C C 13 177.5 . . . . . . . 81 ALA C . 16518 1 393 . 1 1 70 70 ALA CA C 13 53.4 . . 1 . . . . 81 ALA CA . 16518 1 394 . 1 1 70 70 ALA CB C 13 19.7 . . 1 . . . . 81 ALA CB . 16518 1 395 . 1 1 70 70 ALA N N 15 124.451 . . 1 . . . . 81 ALA N . 16518 1 396 . 1 1 71 71 GLY H H 1 8.558 . . 1 . . . . 82 GLY H . 16518 1 397 . 1 1 71 71 GLY HA2 H 1 4.01 . . . . . . . 82 GLY HA2 . 16518 1 398 . 1 1 71 71 GLY HA3 H 1 4.02 . . 2 . . . . 82 GLY HA3 . 16518 1 399 . 1 1 71 71 GLY C C 13 173.1 . . . . . . . 82 GLY C . 16518 1 400 . 1 1 71 71 GLY CA C 13 45.5 . . 1 . . . . 82 GLY CA . 16518 1 401 . 1 1 71 71 GLY N N 15 108.308 . . 1 . . . . 82 GLY N . 16518 1 402 . 1 1 72 72 GLN H H 1 8.139 . . 1 . . . . 83 GLN H . 16518 1 403 . 1 1 72 72 GLN HA H 1 4.41 . . . . . . . 83 GLN HA . 16518 1 404 . 1 1 72 72 GLN C C 13 174.9 . . . . . . . 83 GLN C . 16518 1 405 . 1 1 72 72 GLN CA C 13 55.9 . . 1 . . . . 83 GLN CA . 16518 1 406 . 1 1 72 72 GLN CB C 13 30 . . 1 . . . . 83 GLN CB . 16518 1 407 . 1 1 72 72 GLN N N 15 119.316 . . 1 . . . . 83 GLN N . 16518 1 408 . 1 1 73 73 GLU H H 1 8.42 . . 1 . . . . 84 GLU H . 16518 1 409 . 1 1 73 73 GLU HA H 1 4.55 . . . . . . . 84 GLU HA . 16518 1 410 . 1 1 73 73 GLU C C 13 173.7 . . . . . . . 84 GLU C . 16518 1 411 . 1 1 73 73 GLU CA C 13 54.7 . . 1 . . . . 84 GLU CA . 16518 1 412 . 1 1 73 73 GLU CB C 13 29.9 . . 1 . . . . 84 GLU CB . 16518 1 413 . 1 1 73 73 GLU N N 15 123.275 . . 1 . . . . 84 GLU N . 16518 1 414 . 1 1 74 74 PRO HA H 1 4.39 . . . . . . . 85 PRO HA . 16518 1 415 . 1 1 74 74 PRO C C 13 176.6 . . . . . . . 85 PRO C . 16518 1 416 . 1 1 74 74 PRO CA C 13 63.9 . . 1 . . . . 85 PRO CA . 16518 1 417 . 1 1 74 74 PRO CB C 13 32.3 . . 1 . . . . 85 PRO CB . 16518 1 418 . 1 1 75 75 GLY H H 1 8.545 . . 1 . . . . 86 GLY H . 16518 1 419 . 1 1 75 75 GLY HA2 H 1 3.94 . . . . . . . 86 GLY HA2 . 16518 1 420 . 1 1 75 75 GLY HA3 H 1 4.02 . . 2 . . . . 86 GLY HA3 . 16518 1 421 . 1 1 75 75 GLY C C 13 173.6 . . . . . . . 86 GLY C . 16518 1 422 . 1 1 75 75 GLY CA C 13 45.7 . . 1 . . . . 86 GLY CA . 16518 1 423 . 1 1 75 75 GLY N N 15 109.314 . . 1 . . . . 86 GLY N . 16518 1 424 . 1 1 76 76 THR H H 1 7.852 . . 1 . . . . 87 THR H . 16518 1 425 . 1 1 76 76 THR HA H 1 4.35 . . . . . . . 87 THR HA . 16518 1 426 . 1 1 76 76 THR C C 13 173.5 . . . . . . . 87 THR C . 16518 1 427 . 1 1 76 76 THR CA C 13 62 . . 1 . . . . 87 THR CA . 16518 1 428 . 1 1 76 76 THR CB C 13 70.4 . . 1 . . . . 87 THR CB . 16518 1 429 . 1 1 76 76 THR N N 15 112.813 . . 1 . . . . 87 THR N . 16518 1 430 . 1 1 77 77 ALA H H 1 8.315 . . 1 . . . . 88 ALA H . 16518 1 431 . 1 1 77 77 ALA HA H 1 4.32 . . . . . . . 88 ALA HA . 16518 1 432 . 1 1 77 77 ALA C C 13 176.7 . . . . . . . 88 ALA C . 16518 1 433 . 1 1 77 77 ALA CA C 13 52.9 . . 1 . . . . 88 ALA CA . 16518 1 434 . 1 1 77 77 ALA CB C 13 19.3 . . 1 . . . . 88 ALA CB . 16518 1 435 . 1 1 77 77 ALA N N 15 125.724 . . 1 . . . . 88 ALA N . 16518 1 436 . 1 1 78 78 LEU H H 1 8.062 . . 1 . . . . 89 LEU H . 16518 1 437 . 1 1 78 78 LEU HA H 1 4.28 . . . . . . . 89 LEU HA . 16518 1 438 . 1 1 78 78 LEU C C 13 176.5 . . . . . . . 89 LEU C . 16518 1 439 . 1 1 78 78 LEU CA C 13 55.7 . . 1 . . . . 89 LEU CA . 16518 1 440 . 1 1 78 78 LEU CB C 13 42.6 . . 1 . . . . 89 LEU CB . 16518 1 441 . 1 1 78 78 LEU N N 15 120.516 . . 1 . . . . 89 LEU N . 16518 1 442 . 1 1 79 79 GLU H H 1 8.247 . . 1 . . . . 90 GLU H . 16518 1 443 . 1 1 79 79 GLU HA H 1 4.26 . . . . . . . 90 GLU HA . 16518 1 444 . 1 1 79 79 GLU C C 13 175.5 . . . . . . . 90 GLU C . 16518 1 445 . 1 1 79 79 GLU CA C 13 57 . . 1 . . . . 90 GLU CA . 16518 1 446 . 1 1 79 79 GLU CB C 13 30.4 . . 1 . . . . 90 GLU CB . 16518 1 447 . 1 1 79 79 GLU N N 15 120.939 . . 1 . . . . 90 GLU N . 16518 1 448 . 1 1 80 80 VAL H H 1 8.004 . . 1 . . . . 91 VAL H . 16518 1 449 . 1 1 80 80 VAL HA H 1 4.06 . . . . . . . 91 VAL HA . 16518 1 450 . 1 1 80 80 VAL C C 13 175.3 . . . . . . . 91 VAL C . 16518 1 451 . 1 1 80 80 VAL CA C 13 62.7 . . 1 . . . . 91 VAL CA . 16518 1 452 . 1 1 80 80 VAL CB C 13 32.8 . . 1 . . . . 91 VAL CB . 16518 1 453 . 1 1 80 80 VAL N N 15 120.771 . . 1 . . . . 91 VAL N . 16518 1 454 . 1 1 81 81 LYS H H 1 8.227 . . 1 . . . . 92 LYS H . 16518 1 455 . 1 1 81 81 LYS HA H 1 4.27 . . . . . . . 92 LYS HA . 16518 1 456 . 1 1 81 81 LYS C C 13 175.6 . . . . . . . 92 LYS C . 16518 1 457 . 1 1 81 81 LYS CA C 13 56.8 . . 1 . . . . 92 LYS CA . 16518 1 458 . 1 1 81 81 LYS CB C 13 33.1 . . 1 . . . . 92 LYS CB . 16518 1 459 . 1 1 81 81 LYS N N 15 124.161 . . 1 . . . . 92 LYS N . 16518 1 460 . 1 1 82 82 GLU H H 1 8.24 . . 1 . . . . 93 GLU H . 16518 1 461 . 1 1 82 82 GLU HA H 1 4.2 . . . . . . . 93 GLU HA . 16518 1 462 . 1 1 82 82 GLU C C 13 175.2 . . . . . . . 93 GLU C . 16518 1 463 . 1 1 82 82 GLU CA C 13 57.1 . . 1 . . . . 93 GLU CA . 16518 1 464 . 1 1 82 82 GLU CB C 13 30.4 . . 1 . . . . 93 GLU CB . 16518 1 465 . 1 1 82 82 GLU N N 15 120.702 . . 1 . . . . 93 GLU N . 16518 1 466 . 1 1 83 83 PHE H H 1 8.026 . . 1 . . . . 94 PHE H . 16518 1 467 . 1 1 83 83 PHE HA H 1 4.6 . . . . . . . 94 PHE HA . 16518 1 468 . 1 1 83 83 PHE C C 13 174.4 . . . . . . . 94 PHE C . 16518 1 469 . 1 1 83 83 PHE CA C 13 57.7 . . 1 . . . . 94 PHE CA . 16518 1 470 . 1 1 83 83 PHE CB C 13 39.8 . . 1 . . . . 94 PHE CB . 16518 1 471 . 1 1 83 83 PHE N N 15 120.052 . . 1 . . . . 94 PHE N . 16518 1 472 . 1 1 84 84 ALA H H 1 8.152 . . 1 . . . . 95 ALA H . 16518 1 473 . 1 1 84 84 ALA HA H 1 4.31 . . . . . . . 95 ALA HA . 16518 1 474 . 1 1 84 84 ALA C C 13 176.2 . . . . . . . 95 ALA C . 16518 1 475 . 1 1 84 84 ALA CA C 13 52.6 . . 1 . . . . 95 ALA CA . 16518 1 476 . 1 1 84 84 ALA CB C 13 19.4 . . 1 . . . . 95 ALA CB . 16518 1 477 . 1 1 84 84 ALA N N 15 124.535 . . 1 . . . . 95 ALA N . 16518 1 478 . 1 1 85 85 CYS H H 1 8.295 . . 1 . . . . 96 CYS H . 16518 1 479 . 1 1 85 85 CYS HA H 1 4.7 . . . . . . . 96 CYS HA . 16518 1 480 . 1 1 85 85 CYS C C 13 170.1 . . . . . . . 96 CYS C . 16518 1 481 . 1 1 85 85 CYS CA C 13 56.3 . . 1 . . . . 96 CYS CA . 16518 1 482 . 1 1 85 85 CYS CB C 13 43.3 . . 1 . . . . 96 CYS CB . 16518 1 483 . 1 1 85 85 CYS N N 15 118.91 . . 1 . . . . 96 CYS N . 16518 1 484 . 1 1 86 86 THR HA H 1 4.4 . . . . . . . 97 THR HA . 16518 1 485 . 1 1 86 86 THR C C 13 173.3 . . . . . . . 97 THR C . 16518 1 486 . 1 1 86 86 THR CA C 13 62.4 . . 1 . . . . 97 THR CA . 16518 1 487 . 1 1 86 86 THR CB C 13 70.2 . . 1 . . . . 97 THR CB . 16518 1 488 . 1 1 87 87 ARG H H 1 8.181 . . 1 . . . . 98 ARG H . 16518 1 489 . 1 1 87 87 ARG HA H 1 4.33 . . . . . . . 98 ARG HA . 16518 1 490 . 1 1 87 87 ARG C C 13 174.8 . . . . . . . 98 ARG C . 16518 1 491 . 1 1 87 87 ARG CA C 13 56.3 . . 1 . . . . 98 ARG CA . 16518 1 492 . 1 1 87 87 ARG CB C 13 31.1 . . 1 . . . . 98 ARG CB . 16518 1 493 . 1 1 87 87 ARG N N 15 123.118 . . 1 . . . . 98 ARG N . 16518 1 494 . 1 1 88 88 PHE H H 1 8.307 . . 1 . . . . 99 PHE H . 16518 1 495 . 1 1 88 88 PHE HA H 1 4.22 . . . . . . . 99 PHE HA . 16518 1 496 . 1 1 88 88 PHE C C 13 173.2 . . . . . . . 99 PHE C . 16518 1 497 . 1 1 88 88 PHE CA C 13 59.1 . . 1 . . . . 99 PHE CA . 16518 1 498 . 1 1 88 88 PHE CB C 13 39.8 . . 1 . . . . 99 PHE CB . 16518 1 499 . 1 1 88 88 PHE N N 15 123.603 . . 1 . . . . 99 PHE N . 16518 1 500 . 1 1 89 89 LYS H H 1 7.524 . . 1 . . . . 100 LYS H . 16518 1 501 . 1 1 89 89 LYS HA H 1 4.2 . . . . . . . 100 LYS HA . 16518 1 502 . 1 1 89 89 LYS C C 13 172.9 . . . . . . . 100 LYS C . 16518 1 503 . 1 1 89 89 LYS CA C 13 55.2 . . 1 . . . . 100 LYS CA . 16518 1 504 . 1 1 89 89 LYS CB C 13 34.4 . . 1 . . . . 100 LYS CB . 16518 1 505 . 1 1 89 89 LYS N N 15 126.631 . . 1 . . . . 100 LYS N . 16518 1 506 . 1 1 90 90 ALA H H 1 7.768 . . 1 . . . . 101 ALA H . 16518 1 507 . 1 1 90 90 ALA HA H 1 4.07 . . . . . . . 101 ALA HA . 16518 1 508 . 1 1 90 90 ALA C C 13 175.2 . . . . . . . 101 ALA C . 16518 1 509 . 1 1 90 90 ALA CA C 13 51.4 . . 1 . . . . 101 ALA CA . 16518 1 510 . 1 1 90 90 ALA CB C 13 21.3 . . 1 . . . . 101 ALA CB . 16518 1 511 . 1 1 90 90 ALA N N 15 124.323 . . 1 . . . . 101 ALA N . 16518 1 512 . 1 1 91 91 ASP H H 1 8.458 . . 1 . . . . 102 ASP H . 16518 1 513 . 1 1 91 91 ASP HA H 1 4.49 . . . . . . . 102 ASP HA . 16518 1 514 . 1 1 91 91 ASP C C 13 174.1 . . . . . . . 102 ASP C . 16518 1 515 . 1 1 91 91 ASP CA C 13 55.1 . . 1 . . . . 102 ASP CA . 16518 1 516 . 1 1 91 91 ASP CB C 13 42 . . 1 . . . . 102 ASP CB . 16518 1 517 . 1 1 91 91 ASP N N 15 117.004 . . 1 . . . . 102 ASP N . 16518 1 518 . 1 1 92 92 PHE H H 1 5.823 . . 1 . . . . 103 PHE H . 16518 1 519 . 1 1 92 92 PHE HA H 1 4.48 . . . . . . . 103 PHE HA . 16518 1 520 . 1 1 92 92 PHE C C 13 171.6 . . . . . . . 103 PHE C . 16518 1 521 . 1 1 92 92 PHE CA C 13 52.5 . . 1 . . . . 103 PHE CA . 16518 1 522 . 1 1 92 92 PHE CB C 13 36.7 . . 1 . . . . 103 PHE CB . 16518 1 523 . 1 1 92 92 PHE N N 15 115.653 . . 1 . . . . 103 PHE N . 16518 1 524 . 1 1 93 93 PRO HA H 1 4.1 . . . . . . . 104 PRO HA . 16518 1 525 . 1 1 93 93 PRO C C 13 173.8 . . . . . . . 104 PRO C . 16518 1 526 . 1 1 93 93 PRO CA C 13 65 . . 1 . . . . 104 PRO CA . 16518 1 527 . 1 1 93 93 PRO CB C 13 33.2 . . 1 . . . . 104 PRO CB . 16518 1 528 . 1 1 94 94 ILE H H 1 7.506 . . 1 . . . . 105 ILE H . 16518 1 529 . 1 1 94 94 ILE HA H 1 4.62 . . . . . . . 105 ILE HA . 16518 1 530 . 1 1 94 94 ILE C C 13 175.4 . . . . . . . 105 ILE C . 16518 1 531 . 1 1 94 94 ILE CA C 13 59.5 . . 1 . . . . 105 ILE CA . 16518 1 532 . 1 1 94 94 ILE CB C 13 39.2 . . 1 . . . . 105 ILE CB . 16518 1 533 . 1 1 94 94 ILE N N 15 121.314 . . 1 . . . . 105 ILE N . 16518 1 534 . 1 1 95 95 MET H H 1 8.385 . . 1 . . . . 106 MET H . 16518 1 535 . 1 1 95 95 MET HA H 1 4.62 . . . . . . . 106 MET HA . 16518 1 536 . 1 1 95 95 MET C C 13 174.3 . . . . . . . 106 MET C . 16518 1 537 . 1 1 95 95 MET CA C 13 53 . . 1 . . . . 106 MET CA . 16518 1 538 . 1 1 95 95 MET CB C 13 35.7 . . 1 . . . . 106 MET CB . 16518 1 539 . 1 1 95 95 MET N N 15 125.613 . . 1 . . . . 106 MET N . 16518 1 540 . 1 1 96 96 ALA H H 1 7.551 . . 1 . . . . 107 ALA H . 16518 1 541 . 1 1 96 96 ALA HA H 1 4.1 . . . . . . . 107 ALA HA . 16518 1 542 . 1 1 96 96 ALA C C 13 175.8 . . . . . . . 107 ALA C . 16518 1 543 . 1 1 96 96 ALA CA C 13 52.8 . . 1 . . . . 107 ALA CA . 16518 1 544 . 1 1 96 96 ALA CB C 13 19 . . 1 . . . . 107 ALA CB . 16518 1 545 . 1 1 96 96 ALA N N 15 119.059 . . 1 . . . . 107 ALA N . 16518 1 546 . 1 1 97 97 LYS H H 1 7.945 . . 1 . . . . 108 LYS H . 16518 1 547 . 1 1 97 97 LYS HA H 1 4.53 . . . . . . . 108 LYS HA . 16518 1 548 . 1 1 97 97 LYS C C 13 175.8 . . . . . . . 108 LYS C . 16518 1 549 . 1 1 97 97 LYS CA C 13 56.9 . . 1 . . . . 108 LYS CA . 16518 1 550 . 1 1 97 97 LYS CB C 13 32.8 . . 1 . . . . 108 LYS CB . 16518 1 551 . 1 1 97 97 LYS N N 15 119.452 . . 1 . . . . 108 LYS N . 16518 1 552 . 1 1 98 98 ILE H H 1 8.405 . . 1 . . . . 109 ILE H . 16518 1 553 . 1 1 98 98 ILE HA H 1 4.81 . . . . . . . 109 ILE HA . 16518 1 554 . 1 1 98 98 ILE C C 13 175 . . . . . . . 109 ILE C . 16518 1 555 . 1 1 98 98 ILE CA C 13 60 . . 1 . . . . 109 ILE CA . 16518 1 556 . 1 1 98 98 ILE CB C 13 44 . . 1 . . . . 109 ILE CB . 16518 1 557 . 1 1 98 98 ILE N N 15 118.931 . . 1 . . . . 109 ILE N . 16518 1 558 . 1 1 99 99 ASP H H 1 8.555 . . 1 . . . . 110 ASP H . 16518 1 559 . 1 1 99 99 ASP HA H 1 4.85 . . . . . . . 110 ASP HA . 16518 1 560 . 1 1 99 99 ASP C C 13 174.7 . . . . . . . 110 ASP C . 16518 1 561 . 1 1 99 99 ASP CA C 13 54.4 . . 1 . . . . 110 ASP CA . 16518 1 562 . 1 1 99 99 ASP CB C 13 41.1 . . 1 . . . . 110 ASP CB . 16518 1 563 . 1 1 99 99 ASP N N 15 119.796 . . 1 . . . . 110 ASP N . 16518 1 564 . 1 1 100 100 VAL H H 1 7.919 . . 1 . . . . 111 VAL H . 16518 1 565 . 1 1 100 100 VAL HA H 1 4.13 . . . . . . . 111 VAL HA . 16518 1 566 . 1 1 100 100 VAL C C 13 173 . . . . . . . 111 VAL C . 16518 1 567 . 1 1 100 100 VAL CA C 13 60.7 . . 1 . . . . 111 VAL CA . 16518 1 568 . 1 1 100 100 VAL CB C 13 33.1 . . 1 . . . . 111 VAL CB . 16518 1 569 . 1 1 100 100 VAL N N 15 112.032 . . 1 . . . . 111 VAL N . 16518 1 570 . 1 1 101 101 ASN H H 1 8.1 . . 1 . . . . 112 ASN H . 16518 1 571 . 1 1 101 101 ASN HA H 1 4.82 . . . . . . . 112 ASN HA . 16518 1 572 . 1 1 101 101 ASN C C 13 175.3 . . . . . . . 112 ASN C . 16518 1 573 . 1 1 101 101 ASN CA C 13 51.3 . . 1 . . . . 112 ASN CA . 16518 1 574 . 1 1 101 101 ASN CB C 13 43.4 . . 1 . . . . 112 ASN CB . 16518 1 575 . 1 1 101 101 ASN N N 15 117.852 . . 1 . . . . 112 ASN N . 16518 1 576 . 1 1 103 103 SER HA H 1 4.1 . . . . . . . 113 SER HA . 16518 1 577 . 1 1 103 103 SER C C 13 174.5 . . . . . . . 113 SER C . 16518 1 578 . 1 1 103 103 SER CA C 13 61.6 . . 1 . . . . 113 SER CA . 16518 1 579 . 1 1 103 103 SER CB C 13 63.5 . . 1 . . . . 113 SER CB . 16518 1 580 . 1 1 106 106 LYS H H 1 8.572 . . 1 . . . . 114 LYS H . 16518 1 581 . 1 1 106 106 LYS HA H 1 4.54 . . . . . . . 114 LYS HA . 16518 1 582 . 1 1 106 106 LYS C C 13 174.7 . . . . . . . 114 LYS C . 16518 1 583 . 1 1 106 106 LYS CA C 13 54.5 . . 1 . . . . 114 LYS CA . 16518 1 584 . 1 1 106 106 LYS CB C 13 31.5 . . 1 . . . . 114 LYS CB . 16518 1 585 . 1 1 106 106 LYS N N 15 120.293 . . 1 . . . . 114 LYS N . 16518 1 586 . 1 1 107 107 ALA H H 1 7.127 . . 1 . . . . 115 ALA H . 16518 1 587 . 1 1 107 107 ALA HA H 1 3.51 . . . . . . . 115 ALA HA . 16518 1 588 . 1 1 107 107 ALA C C 13 176.3 . . . . . . . 115 ALA C . 16518 1 589 . 1 1 107 107 ALA CA C 13 52 . . 1 . . . . 115 ALA CA . 16518 1 590 . 1 1 107 107 ALA CB C 13 18.8 . . 1 . . . . 115 ALA CB . 16518 1 591 . 1 1 107 107 ALA N N 15 122.526 . . 1 . . . . 115 ALA N . 16518 1 592 . 1 1 108 108 HIS H H 1 8.169 . . 1 . . . . 116 HIS H . 16518 1 593 . 1 1 108 108 HIS HA H 1 4.44 . . . . . . . 116 HIS HA . 16518 1 594 . 1 1 108 108 HIS C C 13 174.9 . . . . . . . 116 HIS C . 16518 1 595 . 1 1 108 108 HIS CA C 13 57 . . 1 . . . . 116 HIS CA . 16518 1 596 . 1 1 108 108 HIS CB C 13 33 . . 1 . . . . 116 HIS CB . 16518 1 597 . 1 1 108 108 HIS N N 15 124.463 . . 1 . . . . 116 HIS N . 16518 1 598 . 1 1 109 109 PRO HA H 1 4.09 . . . . . . . 117 PRO HA . 16518 1 599 . 1 1 109 109 PRO C C 13 177.2 . . . . . . . 117 PRO C . 16518 1 600 . 1 1 109 109 PRO CA C 13 65.7 . . 1 . . . . 117 PRO CA . 16518 1 601 . 1 1 109 109 PRO CB C 13 32.6 . . 1 . . . . 117 PRO CB . 16518 1 602 . 1 1 110 110 LEU H H 1 11.465 . . 1 . . . . 118 LEU H . 16518 1 603 . 1 1 110 110 LEU HA H 1 2.7 . . . . . . . 118 LEU HA . 16518 1 604 . 1 1 110 110 LEU C C 13 178.6 . . . . . . . 118 LEU C . 16518 1 605 . 1 1 110 110 LEU CA C 13 58.5 . . 1 . . . . 118 LEU CA . 16518 1 606 . 1 1 110 110 LEU CB C 13 42.3 . . 1 . . . . 118 LEU CB . 16518 1 607 . 1 1 110 110 LEU N N 15 124.24 . . 1 . . . . 118 LEU N . 16518 1 608 . 1 1 111 111 TYR H H 1 7.41 . . 1 . . . . 119 TYR H . 16518 1 609 . 1 1 111 111 TYR HA H 1 3.38 . . . . . . . 119 TYR HA . 16518 1 610 . 1 1 111 111 TYR C C 13 177.1 . . . . . . . 119 TYR C . 16518 1 611 . 1 1 111 111 TYR CA C 13 64 . . 1 . . . . 119 TYR CA . 16518 1 612 . 1 1 111 111 TYR CB C 13 38.9 . . 1 . . . . 119 TYR CB . 16518 1 613 . 1 1 111 111 TYR N N 15 117.859 . . 1 . . . . 119 TYR N . 16518 1 614 . 1 1 112 112 GLU H H 1 7.623 . . 1 . . . . 120 GLU H . 16518 1 615 . 1 1 112 112 GLU HA H 1 4.25 . . . . . . . 120 GLU HA . 16518 1 616 . 1 1 112 112 GLU C C 13 178.1 . . . . . . . 120 GLU C . 16518 1 617 . 1 1 112 112 GLU CA C 13 59.3 . . 1 . . . . 120 GLU CA . 16518 1 618 . 1 1 112 112 GLU CB C 13 29.1 . . 1 . . . . 120 GLU CB . 16518 1 619 . 1 1 112 112 GLU N N 15 118.005 . . 1 . . . . 120 GLU N . 16518 1 620 . 1 1 113 113 PHE H H 1 7.47 . . 1 . . . . 121 PHE H . 16518 1 621 . 1 1 113 113 PHE HA H 1 4.4 . . . . . . . 121 PHE HA . 16518 1 622 . 1 1 113 113 PHE C C 13 177 . . . . . . . 121 PHE C . 16518 1 623 . 1 1 113 113 PHE CA C 13 60 . . 1 . . . . 121 PHE CA . 16518 1 624 . 1 1 113 113 PHE CB C 13 39.6 . . 1 . . . . 121 PHE CB . 16518 1 625 . 1 1 113 113 PHE N N 15 119.222 . . 1 . . . . 121 PHE N . 16518 1 626 . 1 1 114 114 MET H H 1 7.803 . . 1 . . . . 122 MET H . 16518 1 627 . 1 1 114 114 MET HA H 1 2.78 . . . . . . . 122 MET HA . 16518 1 628 . 1 1 114 114 MET C C 13 175.6 . . . . . . . 122 MET C . 16518 1 629 . 1 1 114 114 MET CA C 13 61.7 . . 1 . . . . 122 MET CA . 16518 1 630 . 1 1 114 114 MET CB C 13 31.4 . . 1 . . . . 122 MET CB . 16518 1 631 . 1 1 114 114 MET N N 15 122.023 . . 1 . . . . 122 MET N . 16518 1 632 . 1 1 115 115 LYS H H 1 8.345 . . 1 . . . . 123 LYS H . 16518 1 633 . 1 1 115 115 LYS HA H 1 3.67 . . . . . . . 123 LYS HA . 16518 1 634 . 1 1 115 115 LYS C C 13 175.7 . . . . . . . 123 LYS C . 16518 1 635 . 1 1 115 115 LYS CA C 13 59.2 . . 1 . . . . 123 LYS CA . 16518 1 636 . 1 1 115 115 LYS CB C 13 33.2 . . 1 . . . . 123 LYS CB . 16518 1 637 . 1 1 115 115 LYS N N 15 115.148 . . 1 . . . . 123 LYS N . 16518 1 638 . 1 1 116 116 ALA H H 1 7.015 . . 1 . . . . 124 ALA H . 16518 1 639 . 1 1 116 116 ALA HA H 1 3.88 . . . . . . . 124 ALA HA . 16518 1 640 . 1 1 116 116 ALA C C 13 178.4 . . . . . . . 124 ALA C . 16518 1 641 . 1 1 116 116 ALA CA C 13 53.4 . . 1 . . . . 124 ALA CA . 16518 1 642 . 1 1 116 116 ALA CB C 13 18.8 . . 1 . . . . 124 ALA CB . 16518 1 643 . 1 1 116 116 ALA N N 15 113.864 . . 1 . . . . 124 ALA N . 16518 1 644 . 1 1 117 117 THR H H 1 7.253 . . 1 . . . . 125 THR H . 16518 1 645 . 1 1 117 117 THR HA H 1 3.73 . . . . . . . 125 THR HA . 16518 1 646 . 1 1 117 117 THR C C 13 173.1 . . . . . . . 125 THR C . 16518 1 647 . 1 1 117 117 THR CA C 13 66.7 . . 1 . . . . 125 THR CA . 16518 1 648 . 1 1 117 117 THR CB C 13 68.5 . . 1 . . . . 125 THR CB . 16518 1 649 . 1 1 117 117 THR N N 15 114.402 . . 1 . . . . 125 THR N . 16518 1 650 . 1 1 118 118 ILE H H 1 7.497 . . 1 . . . . 126 ILE H . 16518 1 651 . 1 1 118 118 ILE HA H 1 4.5 . . . . . . . 126 ILE HA . 16518 1 652 . 1 1 118 118 ILE C C 13 171.3 . . . . . . . 126 ILE C . 16518 1 653 . 1 1 118 118 ILE CA C 13 56.7 . . 1 . . . . 126 ILE CA . 16518 1 654 . 1 1 118 118 ILE CB C 13 37.4 . . 1 . . . . 126 ILE CB . 16518 1 655 . 1 1 118 118 ILE N N 15 118.115 . . 1 . . . . 126 ILE N . 16518 1 656 . 1 1 119 119 PRO HA H 1 4.5 . . . . . . . 127 PRO HA . 16518 1 657 . 1 1 119 119 PRO C C 13 175.2 . . . . . . . 127 PRO C . 16518 1 658 . 1 1 119 119 PRO CA C 13 63.2 . . 1 . . . . 127 PRO CA . 16518 1 659 . 1 1 119 119 PRO CB C 13 32.6 . . 1 . . . . 127 PRO CB . 16518 1 660 . 1 1 120 120 GLY H H 1 8.014 . . 1 . . . . 128 GLY H . 16518 1 661 . 1 1 120 120 GLY HA2 H 1 3.85 . . . . . . . 128 GLY HA2 . 16518 1 662 . 1 1 120 120 GLY HA3 H 1 4.01 . . 2 . . . . 128 GLY HA3 . 16518 1 663 . 1 1 120 120 GLY C C 13 172.8 . . . . . . . 128 GLY C . 16518 1 664 . 1 1 120 120 GLY CA C 13 44.2 . . 1 . . . . 128 GLY CA . 16518 1 665 . 1 1 120 120 GLY N N 15 105.966 . . 1 . . . . 128 GLY N . 16518 1 666 . 1 1 121 121 LEU H H 1 8.131 . . 1 . . . . 129 LEU H . 16518 1 667 . 1 1 121 121 LEU HA H 1 3.95 . . . . . . . 129 LEU HA . 16518 1 668 . 1 1 121 121 LEU C C 13 177.6 . . . . . . . 129 LEU C . 16518 1 669 . 1 1 121 121 LEU CA C 13 56.6 . . 1 . . . . 129 LEU CA . 16518 1 670 . 1 1 121 121 LEU CB C 13 42.3 . . 1 . . . . 129 LEU CB . 16518 1 671 . 1 1 121 121 LEU N N 15 121.226 . . 1 . . . . 129 LEU N . 16518 1 672 . 1 1 122 122 PHE H H 1 8.776 . . 1 . . . . 130 PHE H . 16518 1 673 . 1 1 122 122 PHE HA H 1 4.49 . . . . . . . 130 PHE HA . 16518 1 674 . 1 1 122 122 PHE C C 13 175.3 . . . . . . . 130 PHE C . 16518 1 675 . 1 1 122 122 PHE CA C 13 58.1 . . 1 . . . . 130 PHE CA . 16518 1 676 . 1 1 122 122 PHE CB C 13 37.4 . . 1 . . . . 130 PHE CB . 16518 1 677 . 1 1 122 122 PHE N N 15 117.998 . . 1 . . . . 130 PHE N . 16518 1 678 . 1 1 123 123 GLY H H 1 8.226 . . 1 . . . . 131 GLY H . 16518 1 679 . 1 1 123 123 GLY HA2 H 1 3.6 . . . . . . . 131 GLY HA2 . 16518 1 680 . 1 1 123 123 GLY HA3 H 1 4.21 . . 2 . . . . 131 GLY HA3 . 16518 1 681 . 1 1 123 123 GLY C C 13 173.7 . . . . . . . 131 GLY C . 16518 1 682 . 1 1 123 123 GLY CA C 13 46 . . 1 . . . . 131 GLY CA . 16518 1 683 . 1 1 123 123 GLY N N 15 106.751 . . 1 . . . . 131 GLY N . 16518 1 684 . 1 1 124 124 THR H H 1 7.393 . . 1 . . . . 132 THR H . 16518 1 685 . 1 1 124 124 THR HA H 1 4.35 . . . . . . . 132 THR HA . 16518 1 686 . 1 1 124 124 THR C C 13 174.1 . . . . . . . 132 THR C . 16518 1 687 . 1 1 124 124 THR CA C 13 61.8 . . 1 . . . . 132 THR CA . 16518 1 688 . 1 1 124 124 THR CB C 13 70 . . 1 . . . . 132 THR CB . 16518 1 689 . 1 1 124 124 THR N N 15 114.558 . . 1 . . . . 132 THR N . 16518 1 690 . 1 1 125 125 LYS HA H 1 3.98 . . . . . . . 133 LYS HA . 16518 1 691 . 1 1 125 125 LYS C C 13 176.8 . . . . . . . 133 LYS C . 16518 1 692 . 1 1 125 125 LYS CA C 13 59.6 . . 1 . . . . 133 LYS CA . 16518 1 693 . 1 1 125 125 LYS CB C 13 33.7 . . 1 . . . . 133 LYS CB . 16518 1 694 . 1 1 126 126 ALA H H 1 7.824 . . 1 . . . . 134 ALA H . 16518 1 695 . 1 1 126 126 ALA HA H 1 4.02 . . . . . . . 134 ALA HA . 16518 1 696 . 1 1 126 126 ALA C C 13 176.9 . . . . . . . 134 ALA C . 16518 1 697 . 1 1 126 126 ALA CA C 13 53.7 . . 1 . . . . 134 ALA CA . 16518 1 698 . 1 1 126 126 ALA CB C 13 19.3 . . 1 . . . . 134 ALA CB . 16518 1 699 . 1 1 126 126 ALA N N 15 120.279 . . 1 . . . . 134 ALA N . 16518 1 700 . 1 1 127 127 ILE H H 1 8.548 . . 1 . . . . 135 ILE H . 16518 1 701 . 1 1 127 127 ILE C C 13 176.9 . . . . . . . 135 ILE C . 16518 1 702 . 1 1 127 127 ILE CA C 13 59.9 . . 1 . . . . 135 ILE CA . 16518 1 703 . 1 1 127 127 ILE CB C 13 36.6 . . 1 . . . . 135 ILE CB . 16518 1 704 . 1 1 127 127 ILE N N 15 122.412 . . 1 . . . . 135 ILE N . 16518 1 705 . 1 1 128 128 LYS H H 1 9.16 . . 1 . . . . 136 LYS H . 16518 1 706 . 1 1 128 128 LYS HA H 1 3.97 . . . . . . . 136 LYS HA . 16518 1 707 . 1 1 128 128 LYS C C 13 173.8 . . . . . . . 136 LYS C . 16518 1 708 . 1 1 128 128 LYS CA C 13 56.8 . . 1 . . . . 136 LYS CA . 16518 1 709 . 1 1 128 128 LYS CB C 13 33.4 . . 1 . . . . 136 LYS CB . 16518 1 710 . 1 1 128 128 LYS N N 15 127.141 . . 1 . . . . 136 LYS N . 16518 1 711 . 1 1 129 129 TRP H H 1 6.163 . . 1 . . . . 137 TRP H . 16518 1 712 . 1 1 129 129 TRP HA H 1 4.55 . . . . . . . 137 TRP HA . 16518 1 713 . 1 1 129 129 TRP HE1 H 1 10.26 . . 1 . . . . 137 TRP HE1 . 16518 1 714 . 1 1 129 129 TRP C C 13 176.4 . . . . . . . 137 TRP C . 16518 1 715 . 1 1 129 129 TRP CA C 13 55.4 . . 1 . . . . 137 TRP CA . 16518 1 716 . 1 1 129 129 TRP CB C 13 34.1 . . 1 . . . . 137 TRP CB . 16518 1 717 . 1 1 129 129 TRP N N 15 112.468 . . 1 . . . . 137 TRP N . 16518 1 718 . 1 1 129 129 TRP NE1 N 15 130.57 . . 1 . . . . 137 TRP NE1 . 16518 1 719 . 1 1 130 130 ASN H H 1 8.68 . . 1 . . . . 138 ASN H . 16518 1 720 . 1 1 130 130 ASN HA H 1 4.14 . . . . . . . 138 ASN HA . 16518 1 721 . 1 1 130 130 ASN C C 13 177.7 . . . . . . . 138 ASN C . 16518 1 722 . 1 1 130 130 ASN CA C 13 54.4 . . 1 . . . . 138 ASN CA . 16518 1 723 . 1 1 130 130 ASN CB C 13 39.8 . . 1 . . . . 138 ASN CB . 16518 1 724 . 1 1 130 130 ASN N N 15 120.899 . . 1 . . . . 138 ASN N . 16518 1 725 . 1 1 131 131 PHE H H 1 8.574 . . 1 . . . . 139 PHE H . 16518 1 726 . 1 1 131 131 PHE HA H 1 4.2 . . . . . . . 139 PHE HA . 16518 1 727 . 1 1 131 131 PHE C C 13 175.4 . . . . . . . 139 PHE C . 16518 1 728 . 1 1 131 131 PHE CA C 13 62.2 . . 1 . . . . 139 PHE CA . 16518 1 729 . 1 1 131 131 PHE CB C 13 35.8 . . 1 . . . . 139 PHE CB . 16518 1 730 . 1 1 131 131 PHE N N 15 114.257 . . 1 . . . . 139 PHE N . 16518 1 731 . 1 1 132 132 THR H H 1 7.204 . . 1 . . . . 140 THR H . 16518 1 732 . 1 1 132 132 THR HA H 1 4.37 . . . . . . . 140 THR HA . 16518 1 733 . 1 1 132 132 THR C C 13 172 . . . . . . . 140 THR C . 16518 1 734 . 1 1 132 132 THR CA C 13 65.7 . . 1 . . . . 140 THR CA . 16518 1 735 . 1 1 132 132 THR CB C 13 69.6 . . 1 . . . . 140 THR CB . 16518 1 736 . 1 1 132 132 THR N N 15 116.523 . . 1 . . . . 140 THR N . 16518 1 737 . 1 1 133 133 SER H H 1 8.535 . . 1 . . . . 141 SER H . 16518 1 738 . 1 1 133 133 SER HA H 1 5.53 . . . . . . . 141 SER HA . 16518 1 739 . 1 1 133 133 SER C C 13 172.3 . . . . . . . 141 SER C . 16518 1 740 . 1 1 133 133 SER CA C 13 56.7 . . 1 . . . . 141 SER CA . 16518 1 741 . 1 1 133 133 SER CB C 13 66.2 . . 1 . . . . 141 SER CB . 16518 1 742 . 1 1 133 133 SER N N 15 119.145 . . 1 . . . . 141 SER N . 16518 1 743 . 1 1 134 134 PHE H H 1 8.473 . . 1 . . . . 142 PHE H . 16518 1 744 . 1 1 134 134 PHE HA H 1 5.37 . . . . . . . 142 PHE HA . 16518 1 745 . 1 1 134 134 PHE C C 13 174.1 . . . . . . . 142 PHE C . 16518 1 746 . 1 1 134 134 PHE CA C 13 56.3 . . 1 . . . . 142 PHE CA . 16518 1 747 . 1 1 134 134 PHE CB C 13 44 . . 1 . . . . 142 PHE CB . 16518 1 748 . 1 1 134 134 PHE N N 15 115.492 . . 1 . . . . 142 PHE N . 16518 1 749 . 1 1 135 135 LEU H H 1 8.653 . . 1 . . . . 143 LEU H . 16518 1 750 . 1 1 135 135 LEU HA H 1 5.05 . . . . . . . 143 LEU HA . 16518 1 751 . 1 1 135 135 LEU C C 13 172.5 . . . . . . . 143 LEU C . 16518 1 752 . 1 1 135 135 LEU CA C 13 54 . . 1 . . . . 143 LEU CA . 16518 1 753 . 1 1 135 135 LEU CB C 13 44.9 . . 1 . . . . 143 LEU CB . 16518 1 754 . 1 1 135 135 LEU N N 15 124.725 . . 1 . . . . 143 LEU N . 16518 1 755 . 1 1 136 136 ILE H H 1 9.603 . . 1 . . . . 144 ILE H . 16518 1 756 . 1 1 136 136 ILE HA H 1 4.57 . . . . . . . 144 ILE HA . 16518 1 757 . 1 1 136 136 ILE C C 13 174.4 . . . . . . . 144 ILE C . 16518 1 758 . 1 1 136 136 ILE CA C 13 57.9 . . 1 . . . . 144 ILE CA . 16518 1 759 . 1 1 136 136 ILE CB C 13 37.6 . . 1 . . . . 144 ILE CB . 16518 1 760 . 1 1 136 136 ILE N N 15 130.29 . . 1 . . . . 144 ILE N . 16518 1 761 . 1 1 137 137 ASP H H 1 8.491 . . 1 . . . . 145 ASP H . 16518 1 762 . 1 1 137 137 ASP HA H 1 4.6 . . . . . . . 145 ASP HA . 16518 1 763 . 1 1 137 137 ASP C C 13 177.6 . . . . . . . 145 ASP C . 16518 1 764 . 1 1 137 137 ASP CA C 13 53.1 . . 1 . . . . 145 ASP CA . 16518 1 765 . 1 1 137 137 ASP CB C 13 41.7 . . 1 . . . . 145 ASP CB . 16518 1 766 . 1 1 137 137 ASP N N 15 123.954 . . 1 . . . . 145 ASP N . 16518 1 767 . 1 1 138 138 ARG H H 1 8.572 . . 1 . . . . 146 ARG H . 16518 1 768 . 1 1 138 138 ARG HA H 1 3.75 . . . . . . . 146 ARG HA . 16518 1 769 . 1 1 138 138 ARG C C 13 174.7 . . . . . . . 146 ARG C . 16518 1 770 . 1 1 138 138 ARG CA C 13 58.8 . . 1 . . . . 146 ARG CA . 16518 1 771 . 1 1 138 138 ARG CB C 13 30 . . 1 . . . . 146 ARG CB . 16518 1 772 . 1 1 138 138 ARG N N 15 113.845 . . 1 . . . . 146 ARG N . 16518 1 773 . 1 1 139 139 HIS H H 1 8.539 . . 1 . . . . 147 HIS H . 16518 1 774 . 1 1 139 139 HIS HA H 1 4.82 . . . . . . . 147 HIS HA . 16518 1 775 . 1 1 139 139 HIS C C 13 175.1 . . . . . . . 147 HIS C . 16518 1 776 . 1 1 139 139 HIS CA C 13 55.5 . . 1 . . . . 147 HIS CA . 16518 1 777 . 1 1 139 139 HIS CB C 13 30.6 . . 1 . . . . 147 HIS CB . 16518 1 778 . 1 1 139 139 HIS N N 15 118.736 . . 1 . . . . 147 HIS N . 16518 1 779 . 1 1 140 140 GLY H H 1 8.234 . . 1 . . . . 148 GLY H . 16518 1 780 . 1 1 140 140 GLY HA2 H 1 3.42 . . . . . . . 148 GLY HA2 . 16518 1 781 . 1 1 140 140 GLY HA3 H 1 4.34 . . 2 . . . . 148 GLY HA3 . 16518 1 782 . 1 1 140 140 GLY C C 13 172.2 . . . . . . . 148 GLY C . 16518 1 783 . 1 1 140 140 GLY CA C 13 47.2 . . 1 . . . . 148 GLY CA . 16518 1 784 . 1 1 140 140 GLY N N 15 107.003 . . 1 . . . . 148 GLY N . 16518 1 785 . 1 1 141 141 VAL H H 1 8.851 . . 1 . . . . 149 VAL H . 16518 1 786 . 1 1 141 141 VAL HA H 1 4.53 . . . . . . . 149 VAL HA . 16518 1 787 . 1 1 141 141 VAL C C 13 173.5 . . . . . . . 149 VAL C . 16518 1 788 . 1 1 141 141 VAL CA C 13 60.6 . . 1 . . . . 149 VAL CA . 16518 1 789 . 1 1 141 141 VAL CB C 13 33.3 . . 1 . . . . 149 VAL CB . 16518 1 790 . 1 1 141 141 VAL N N 15 126.014 . . 1 . . . . 149 VAL N . 16518 1 791 . 1 1 142 142 PRO HA H 1 4.94 . . . . . . . 150 PRO HA . 16518 1 792 . 1 1 142 142 PRO C C 13 174.8 . . . . . . . 150 PRO C . 16518 1 793 . 1 1 142 142 PRO CA C 13 62.7 . . 1 . . . . 150 PRO CA . 16518 1 794 . 1 1 142 142 PRO CB C 13 31.5 . . 1 . . . . 150 PRO CB . 16518 1 795 . 1 1 143 143 VAL H H 1 9.331 . . 1 . . . . 151 VAL H . 16518 1 796 . 1 1 143 143 VAL HA H 1 4.53 . . . . . . . 151 VAL HA . 16518 1 797 . 1 1 143 143 VAL C C 13 174.9 . . . . . . . 151 VAL C . 16518 1 798 . 1 1 143 143 VAL CA C 13 61.6 . . 1 . . . . 151 VAL CA . 16518 1 799 . 1 1 143 143 VAL CB C 13 34.5 . . 1 . . . . 151 VAL CB . 16518 1 800 . 1 1 143 143 VAL N N 15 115.257 . . 1 . . . . 151 VAL N . 16518 1 801 . 1 1 144 144 GLU H H 1 7.4 . . 1 . . . . 152 GLU H . 16518 1 802 . 1 1 144 144 GLU HA H 1 4.54 . . . . . . . 152 GLU HA . 16518 1 803 . 1 1 144 144 GLU C C 13 171.9 . . . . . . . 152 GLU C . 16518 1 804 . 1 1 144 144 GLU CA C 13 55.3 . . 1 . . . . 152 GLU CA . 16518 1 805 . 1 1 144 144 GLU CB C 13 34 . . 1 . . . . 152 GLU CB . 16518 1 806 . 1 1 144 144 GLU N N 15 117.626 . . 1 . . . . 152 GLU N . 16518 1 807 . 1 1 145 145 ARG H H 1 8.841 . . 1 . . . . 153 ARG H . 16518 1 808 . 1 1 145 145 ARG HA H 1 4.7 . . . . . . . 153 ARG HA . 16518 1 809 . 1 1 145 145 ARG C C 13 173.5 . . . . . . . 153 ARG C . 16518 1 810 . 1 1 145 145 ARG CA C 13 54.2 . . 1 . . . . 153 ARG CA . 16518 1 811 . 1 1 145 145 ARG CB C 13 34 . . 1 . . . . 153 ARG CB . 16518 1 812 . 1 1 145 145 ARG N N 15 126.558 . . 1 . . . . 153 ARG N . 16518 1 813 . 1 1 146 146 PHE H H 1 9.583 . . 1 . . . . 154 PHE H . 16518 1 814 . 1 1 146 146 PHE HA H 1 4.85 . . . . . . . 154 PHE HA . 16518 1 815 . 1 1 146 146 PHE C C 13 174.7 . . . . . . . 154 PHE C . 16518 1 816 . 1 1 146 146 PHE CA C 13 57.2 . . 1 . . . . 154 PHE CA . 16518 1 817 . 1 1 146 146 PHE CB C 13 40.1 . . 1 . . . . 154 PHE CB . 16518 1 818 . 1 1 146 146 PHE N N 15 126.662 . . 1 . . . . 154 PHE N . 16518 1 819 . 1 1 147 147 SER H H 1 8.8 . . 1 . . . . 155 SER H . 16518 1 820 . 1 1 147 147 SER HA H 1 4.75 . . . . . . . 155 SER HA . 16518 1 821 . 1 1 147 147 SER C C 13 173.2 . . . . . . . 155 SER C . 16518 1 822 . 1 1 147 147 SER CA C 13 57.1 . . 1 . . . . 155 SER CA . 16518 1 823 . 1 1 147 147 SER CB C 13 63.2 . . 1 . . . . 155 SER CB . 16518 1 824 . 1 1 147 147 SER N N 15 118.597 . . 1 . . . . 155 SER N . 16518 1 825 . 1 1 148 148 PRO HA H 1 4.58 . . . . . . . 156 PRO HA . 16518 1 826 . 1 1 148 148 PRO C C 13 175.2 . . . . . . . 156 PRO C . 16518 1 827 . 1 1 148 148 PRO CA C 13 64.7 . . 1 . . . . 156 PRO CA . 16518 1 828 . 1 1 148 148 PRO CB C 13 32 . . 1 . . . . 156 PRO CB . 16518 1 829 . 1 1 149 149 GLY H H 1 8.004 . . 1 . . . . 157 GLY H . 16518 1 830 . 1 1 149 149 GLY HA2 H 1 3.58 . . . . . . . 157 GLY HA2 . 16518 1 831 . 1 1 149 149 GLY HA3 H 1 4.03 . . 2 . . . . 157 GLY HA3 . 16518 1 832 . 1 1 149 149 GLY C C 13 173.2 . . . . . . . 157 GLY C . 16518 1 833 . 1 1 149 149 GLY CA C 13 44.8 . . 1 . . . . 157 GLY CA . 16518 1 834 . 1 1 149 149 GLY N N 15 106.482 . . 1 . . . . 157 GLY N . 16518 1 835 . 1 1 150 150 ALA H H 1 7.294 . . 1 . . . . 158 ALA H . 16518 1 836 . 1 1 150 150 ALA HA H 1 4.34 . . . . . . . 158 ALA HA . 16518 1 837 . 1 1 150 150 ALA C C 13 176.1 . . . . . . . 158 ALA C . 16518 1 838 . 1 1 150 150 ALA CA C 13 53 . . 1 . . . . 158 ALA CA . 16518 1 839 . 1 1 150 150 ALA CB C 13 19.1 . . 1 . . . . 158 ALA CB . 16518 1 840 . 1 1 150 150 ALA N N 15 124.182 . . 1 . . . . 158 ALA N . 16518 1 841 . 1 1 151 151 SER H H 1 9.08 . . 1 . . . . 159 SER H . 16518 1 842 . 1 1 151 151 SER HA H 1 4.53 . . . . . . . 159 SER HA . 16518 1 843 . 1 1 151 151 SER C C 13 173.7 . . . . . . . 159 SER C . 16518 1 844 . 1 1 151 151 SER CA C 13 56.6 . . 1 . . . . 159 SER CA . 16518 1 845 . 1 1 151 151 SER CB C 13 66.6 . . 1 . . . . 159 SER CB . 16518 1 846 . 1 1 151 151 SER N N 15 120.128 . . 1 . . . . 159 SER N . 16518 1 847 . 1 1 152 152 VAL H H 1 8.518 . . 1 . . . . 160 VAL H . 16518 1 848 . 1 1 152 152 VAL HA H 1 3.29 . . . . . . . 160 VAL HA . 16518 1 849 . 1 1 152 152 VAL C C 13 176.4 . . . . . . . 160 VAL C . 16518 1 850 . 1 1 152 152 VAL CA C 13 67.3 . . 1 . . . . 160 VAL CA . 16518 1 851 . 1 1 152 152 VAL CB C 13 32.4 . . 1 . . . . 160 VAL CB . 16518 1 852 . 1 1 152 152 VAL N N 15 119.789 . . 1 . . . . 160 VAL N . 16518 1 853 . 1 1 153 153 GLU H H 1 8.442 . . 1 . . . . 161 GLU H . 16518 1 854 . 1 1 153 153 GLU HA H 1 4.13 . . . . . . . 161 GLU HA . 16518 1 855 . 1 1 153 153 GLU C C 13 178 . . . . . . . 161 GLU C . 16518 1 856 . 1 1 153 153 GLU CA C 13 60.5 . . 1 . . . . 161 GLU CA . 16518 1 857 . 1 1 153 153 GLU CB C 13 29.4 . . 1 . . . . 161 GLU CB . 16518 1 858 . 1 1 153 153 GLU N N 15 117.697 . . 1 . . . . 161 GLU N . 16518 1 859 . 1 1 154 154 ASP H H 1 8.029 . . 1 . . . . 162 ASP H . 16518 1 860 . 1 1 154 154 ASP HA H 1 4.23 . . . . . . . 162 ASP HA . 16518 1 861 . 1 1 154 154 ASP C C 13 177.8 . . . . . . . 162 ASP C . 16518 1 862 . 1 1 154 154 ASP CA C 13 57.6 . . 1 . . . . 162 ASP CA . 16518 1 863 . 1 1 154 154 ASP CB C 13 40.7 . . 1 . . . . 162 ASP CB . 16518 1 864 . 1 1 154 154 ASP N N 15 120.573 . . 1 . . . . 162 ASP N . 16518 1 865 . 1 1 155 155 ILE H H 1 7.463 . . 1 . . . . 163 ILE H . 16518 1 866 . 1 1 155 155 ILE HA H 1 3.33 . . . . . . . 163 ILE HA . 16518 1 867 . 1 1 155 155 ILE C C 13 178.5 . . . . . . . 163 ILE C . 16518 1 868 . 1 1 155 155 ILE CA C 13 64.7 . . 1 . . . . 163 ILE CA . 16518 1 869 . 1 1 155 155 ILE CB C 13 37.6 . . 1 . . . . 163 ILE CB . 16518 1 870 . 1 1 155 155 ILE N N 15 119.167 . . 1 . . . . 163 ILE N . 16518 1 871 . 1 1 156 156 GLU H H 1 9.105 . . 1 . . . . 164 GLU H . 16518 1 872 . 1 1 156 156 GLU HA H 1 3.53 . . . . . . . 164 GLU HA . 16518 1 873 . 1 1 156 156 GLU C C 13 176.4 . . . . . . . 164 GLU C . 16518 1 874 . 1 1 156 156 GLU CA C 13 60.9 . . 1 . . . . 164 GLU CA . 16518 1 875 . 1 1 156 156 GLU CB C 13 30.3 . . 1 . . . . 164 GLU CB . 16518 1 876 . 1 1 156 156 GLU N N 15 121.365 . . 1 . . . . 164 GLU N . 16518 1 877 . 1 1 157 157 LYS H H 1 7.568 . . 1 . . . . 165 LYS H . 16518 1 878 . 1 1 157 157 LYS HA H 1 3.98 . . . . . . . 165 LYS HA . 16518 1 879 . 1 1 157 157 LYS C C 13 177.2 . . . . . . . 165 LYS C . 16518 1 880 . 1 1 157 157 LYS CA C 13 59.7 . . 1 . . . . 165 LYS CA . 16518 1 881 . 1 1 157 157 LYS CB C 13 33 . . 1 . . . . 165 LYS CB . 16518 1 882 . 1 1 157 157 LYS N N 15 115.643 . . 1 . . . . 165 LYS N . 16518 1 883 . 1 1 158 158 LYS H H 1 7.06 . . 1 . . . . 166 LYS H . 16518 1 884 . 1 1 158 158 LYS HA H 1 4.44 . . . . . . . 166 LYS HA . 16518 1 885 . 1 1 158 158 LYS C C 13 176.2 . . . . . . . 166 LYS C . 16518 1 886 . 1 1 158 158 LYS CA C 13 55.3 . . 1 . . . . 166 LYS CA . 16518 1 887 . 1 1 158 158 LYS CB C 13 33.9 . . 1 . . . . 166 LYS CB . 16518 1 888 . 1 1 158 158 LYS N N 15 113.015 . . 1 . . . . 166 LYS N . 16518 1 889 . 1 1 159 159 LEU H H 1 8.671 . . 1 . . . . 167 LEU H . 16518 1 890 . 1 1 159 159 LEU HA H 1 4.08 . . . . . . . 167 LEU HA . 16518 1 891 . 1 1 159 159 LEU C C 13 176.5 . . . . . . . 167 LEU C . 16518 1 892 . 1 1 159 159 LEU CA C 13 57.4 . . 1 . . . . 167 LEU CA . 16518 1 893 . 1 1 159 159 LEU CB C 13 44.1 . . 1 . . . . 167 LEU CB . 16518 1 894 . 1 1 159 159 LEU N N 15 120.778 . . 1 . . . . 167 LEU N . 16518 1 895 . 1 1 160 160 LEU H H 1 8.539 . . 1 . . . . 168 LEU H . 16518 1 896 . 1 1 160 160 LEU HA H 1 3.92 . . . . . . . 168 LEU HA . 16518 1 897 . 1 1 160 160 LEU C C 13 176.9 . . . . . . . 168 LEU C . 16518 1 898 . 1 1 160 160 LEU CA C 13 60.4 . . 1 . . . . 168 LEU CA . 16518 1 899 . 1 1 160 160 LEU CB C 13 38.7 . . 1 . . . . 168 LEU CB . 16518 1 900 . 1 1 160 160 LEU N N 15 118.696 . . 1 . . . . 168 LEU N . 16518 1 901 . 1 1 161 161 PRO HA H 1 4.36 . . . . . . . 169 PRO HA . 16518 1 902 . 1 1 161 161 PRO C C 13 177.6 . . . . . . . 169 PRO C . 16518 1 903 . 1 1 161 161 PRO CA C 13 65.7 . . 1 . . . . 169 PRO CA . 16518 1 904 . 1 1 161 161 PRO CB C 13 31.8 . . 1 . . . . 169 PRO CB . 16518 1 905 . 1 1 162 162 LEU H H 1 7.325 . . 1 . . . . 170 LEU H . 16518 1 906 . 1 1 162 162 LEU HA H 1 4.34 . . . . . . . 170 LEU HA . 16518 1 907 . 1 1 162 162 LEU C C 13 177.9 . . . . . . . 170 LEU C . 16518 1 908 . 1 1 162 162 LEU CA C 13 55.9 . . 1 . . . . 170 LEU CA . 16518 1 909 . 1 1 162 162 LEU CB C 13 42.5 . . 1 . . . . 170 LEU CB . 16518 1 910 . 1 1 162 162 LEU N N 15 114.554 . . 1 . . . . 170 LEU N . 16518 1 911 . 1 1 163 163 LEU H H 1 7.676 . . 1 . . . . 171 LEU H . 16518 1 912 . 1 1 163 163 LEU HA H 1 4.28 . . . . . . . 171 LEU HA . 16518 1 913 . 1 1 163 163 LEU C C 13 177 . . . . . . . 171 LEU C . 16518 1 914 . 1 1 163 163 LEU CA C 13 56 . . 1 . . . . 171 LEU CA . 16518 1 915 . 1 1 163 163 LEU CB C 13 42.8 . . 1 . . . . 171 LEU CB . 16518 1 916 . 1 1 163 163 LEU N N 15 119.103 . . 1 . . . . 171 LEU N . 16518 1 917 . 1 1 164 164 GLY H H 1 7.929 . . 1 . . . . 172 GLY H . 16518 1 918 . 1 1 164 164 GLY HA2 H 1 4.03 . . . . . . . 172 GLY HA2 . 16518 1 919 . 1 1 164 164 GLY C C 13 173.6 . . . . . . . 172 GLY C . 16518 1 920 . 1 1 164 164 GLY CA C 13 45.7 . . 1 . . . . 172 GLY CA . 16518 1 921 . 1 1 164 164 GLY N N 15 106.547 . . 1 . . . . 172 GLY N . 16518 1 922 . 1 1 165 165 GLY H H 1 8.111 . . 1 . . . . 173 GLY H . 16518 1 923 . 1 1 165 165 GLY HA2 H 1 3.98 . . . . . . . 173 GLY HA2 . 16518 1 924 . 1 1 165 165 GLY HA3 H 1 3.975 . . 2 . . . . 173 GLY HA3 . 16518 1 925 . 1 1 165 165 GLY C C 13 172.7 . . . . . . . 173 GLY C . 16518 1 926 . 1 1 165 165 GLY CA C 13 45.3 . . 1 . . . . 173 GLY CA . 16518 1 927 . 1 1 165 165 GLY N N 15 108.408 . . 1 . . . . 173 GLY N . 16518 1 928 . 1 1 166 166 ALA H H 1 8.16 . . 1 . . . . 174 ALA H . 16518 1 929 . 1 1 166 166 ALA HA H 1 4.35 . . . . . . . 174 ALA HA . 16518 1 930 . 1 1 166 166 ALA C C 13 176.5 . . . . . . . 174 ALA C . 16518 1 931 . 1 1 166 166 ALA CA C 13 52.5 . . 1 . . . . 174 ALA CA . 16518 1 932 . 1 1 166 166 ALA CB C 13 19.8 . . 1 . . . . 174 ALA CB . 16518 1 933 . 1 1 166 166 ALA N N 15 123.386 . . 1 . . . . 174 ALA N . 16518 1 934 . 1 1 167 167 ARG H H 1 8.328 . . 1 . . . . 175 ARG H . 16518 1 935 . 1 1 167 167 ARG HA H 1 4.38 . . . . . . . 175 ARG HA . 16518 1 936 . 1 1 167 167 ARG C C 13 174.4 . . . . . . . 175 ARG C . 16518 1 937 . 1 1 167 167 ARG CA C 13 56.2 . . 1 . . . . 175 ARG CA . 16518 1 938 . 1 1 167 167 ARG CB C 13 30.9 . . 1 . . . . 175 ARG CB . 16518 1 939 . 1 1 167 167 ARG N N 15 121.097 . . 1 . . . . 175 ARG N . 16518 1 940 . 1 1 168 168 ILE H H 1 7.716 . . 1 . . . . 176 ILE H . 16518 1 941 . 1 1 168 168 ILE HA H 1 4.09 . . . . . . . 176 ILE HA . 16518 1 942 . 1 1 168 168 ILE C C 13 180.1 . . . . . . . 176 ILE C . 16518 1 943 . 1 1 168 168 ILE CA C 13 63 . . 1 . . . . 176 ILE CA . 16518 1 944 . 1 1 168 168 ILE CB C 13 39.9 . . 1 . . . . 176 ILE CB . 16518 1 945 . 1 1 168 168 ILE N N 15 126.502 . . 1 . . . . 176 ILE N . 16518 1 stop_ save_