data_17246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17246 _Entry.Title ; Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-11 _Entry.Accession_date 2010-10-11 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Maria Antonietta' Gentile . . . 17246 2 Sara Melchiorre . . . 17246 3 Carla Emolo . . . 17246 4 Monica Moschioni . . . 17246 5 Claudia Gianfaldoni . . . 17246 6 Laura Pancotto . . . 17246 7 Ilaria Ferlenghi . . . 17246 8 Maria Scarselli . . . 17246 9 Werner Pansegrau . . . 17246 10 Daniele Veggi . . . 17246 11 Marcello Merola . . . 17246 12 Francesca Cantini . . . 17246 13 Paolo Ruggiero . . . 17246 14 Lucia Banci . . . 17246 15 Vega Masignani . . . 17246 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17246 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 17246 pilus . 17246 RrgB . 17246 'Streptococcus pneumoniae' . 17246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 660 17246 '15N chemical shifts' 172 17246 '1H chemical shifts' 1168 17246 'heteronuclear NOE values' 150 17246 'order parameters' 150 17246 'T1 relaxation values' 150 17246 'T2 relaxation values' 150 17246 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 3 . . 2013-01-30 2010-10-11 update author 'add relaxation data' 17246 2 . . 2011-04-28 2010-10-11 update BMRB 'update entry citation' 17246 1 . . 2011-03-30 2010-10-11 original author 'original release' 17246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L4O 'BMRB Entry Tracking System' 17246 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21367860 _Citation.Full_citation . _Citation.Title 'Structural and Functional Characterization of the Streptococcus pneumoniae RrgB Pilus Backbone D1 Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 16 _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 14588 _Citation.Page_last 14597 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Maria Antonietta' Gentile . . . 17246 1 2 Sara Melchiorre . . . 17246 1 3 Carla Emolo . . . 17246 1 4 Monica Moschioni . . . 17246 1 5 Claudia Gianfaldoni . . . 17246 1 6 Laura Pancotto . . . 17246 1 7 Ilaria Ferlenghi . . . 17246 1 8 Maria Scarselli . . . 17246 1 9 Werner Pansegrau . . . 17246 1 10 Daniele Veggi . . . 17246 1 11 Marcello Merola . . . 17246 1 12 Francesca Cantini . . . 17246 1 13 Paolo Ruggiero . . . 17246 1 14 Lucia Banci . . . 17246 1 15 Vega Masignani . . . 17246 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 17246 1 pilus 17246 1 RrgB 17246 1 'Streptococcus pneumoniae' 17246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17246 _Assembly.ID 1 _Assembly.Name DOMAIN_OF_A_CELL_WALL_SURFACE_ANCHOR_FAMILY_PROTEIN _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CELL_WALL_SURFACE_ANCHOR 1 $CELL_WALL_SURFACE_ANCHOR A . yes native no no . . . 17246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CELL_WALL_SURFACE_ANCHOR _Entity.Sf_category entity _Entity.Sf_framecode CELL_WALL_SURFACE_ANCHOR _Entity.Entry_ID 17246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DOMAIN_OF_A_CELL_WALL_SURFACE_ANCHOR_FAMILY_PROTEIN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; METASAATVFAAGTTTTSVT VHKLLATDGDMDKIANELET GNYAGNKVGVLPANAKEIAG VMFVWTNTNNEIIDENGQTL GVNIDPQTFKLSGAMPATAM KKLTEAEGAKFNTANLPAAK YKIYEIHSLSTYVGEDGATL TGSKAVPIEIELPLNDVVDA HVYPKNTEAKPKILEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first Met is Met 19' _Entity.Polymer_author_seq_details 'The C-terminal His-tag is removed from the pdb' _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of Streptococcus pneumoniae RrgB pilus backbone subunit' _Entity.Mutation 'BACKBONE SUBUNIT PILI RESIDUES 20-193' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18545.027 _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 2L4O . "Solution Structure Of The Streptococcus Pneumoniae Rrgb Pilus Backbone D1 Domain" . . . . . 100.00 181 100.00 100.00 3.09e-126 . . . . 17246 1 2 no PDB 2Y1V . "Full Length Structure Of Rrgb Pilus Protein From Streptococcus Pneumoniae" . . . . . 89.50 605 97.53 97.53 4.23e-102 . . . . 17246 1 3 no PDB 3RPK . "Structure Of The Full-Length Major Pilin Rrgb From Streptococcus Pneumoniae" . . . . . 90.06 603 97.55 97.55 9.14e-103 . . . . 17246 1 4 no EMBL CEO70617 . "cell wall surface anchor family protein [Streptococcus pneumoniae]" . . . . . 93.37 665 99.41 99.41 2.34e-109 . . . . 17246 1 5 no EMBL CEV45859 . "cell wall surface anchor family protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 6 no EMBL CEV80893 . "cell wall surface anchor family protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 7 no EMBL CEV87170 . "cell wall surface anchor family protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 8 no EMBL CEV93515 . "cell wall surface anchor family protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 9 no GB AAK74623 . "cell wall surface anchor family protein [Streptococcus pneumoniae TIGR4]" . . . . . 93.37 665 100.00 100.00 1.41e-110 . . . . 17246 1 10 no GB ABS82086 . "backbone pilus subunit [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 11 no GB ABS82156 . "backbone pilus subunit [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 12 no GB ACO23362 . "cell wall surface anchor family protein [Streptococcus pneumoniae Taiwan19F-14]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 13 no GB ADI68988 . "LPXTG-motif cell wall anchor domain protein [Streptococcus pneumoniae TCH8431/19A]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 14 no REF WP_000836216 . "cell wall surface anchor protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.19e-110 . . . . 17246 1 15 no REF WP_000836217 . "cell wall surface anchor protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.41e-110 . . . . 17246 1 16 no REF WP_000836218 . "cell wall surface anchor protein [Streptococcus pneumoniae]" . . . . . 93.37 665 100.00 100.00 1.49e-110 . . . . 17246 1 17 no REF WP_000836219 . "cell wall surface anchor protein [Streptococcus pneumoniae]" . . . . . 93.37 665 99.41 99.41 2.42e-109 . . . . 17246 1 18 no REF WP_000836220 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 93.37 665 99.41 99.41 7.11e-110 . . . . 17246 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Domain of the major pilin RrgB of Streptococcus pneumoniae' 17246 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 19 MET . 17246 1 2 20 GLU . 17246 1 3 21 THR . 17246 1 4 22 ALA . 17246 1 5 23 SER . 17246 1 6 24 ALA . 17246 1 7 25 ALA . 17246 1 8 26 THR . 17246 1 9 27 VAL . 17246 1 10 28 PHE . 17246 1 11 29 ALA . 17246 1 12 30 ALA . 17246 1 13 31 GLY . 17246 1 14 32 THR . 17246 1 15 33 THR . 17246 1 16 34 THR . 17246 1 17 35 THR . 17246 1 18 36 SER . 17246 1 19 37 VAL . 17246 1 20 38 THR . 17246 1 21 39 VAL . 17246 1 22 40 HIS . 17246 1 23 41 LYS . 17246 1 24 42 LEU . 17246 1 25 43 LEU . 17246 1 26 44 ALA . 17246 1 27 45 THR . 17246 1 28 46 ASP . 17246 1 29 47 GLY . 17246 1 30 48 ASP . 17246 1 31 49 MET . 17246 1 32 50 ASP . 17246 1 33 51 LYS . 17246 1 34 52 ILE . 17246 1 35 53 ALA . 17246 1 36 54 ASN . 17246 1 37 55 GLU . 17246 1 38 56 LEU . 17246 1 39 57 GLU . 17246 1 40 58 THR . 17246 1 41 59 GLY . 17246 1 42 60 ASN . 17246 1 43 61 TYR . 17246 1 44 62 ALA . 17246 1 45 63 GLY . 17246 1 46 64 ASN . 17246 1 47 65 LYS . 17246 1 48 66 VAL . 17246 1 49 67 GLY . 17246 1 50 68 VAL . 17246 1 51 69 LEU . 17246 1 52 70 PRO . 17246 1 53 71 ALA . 17246 1 54 72 ASN . 17246 1 55 73 ALA . 17246 1 56 74 LYS . 17246 1 57 75 GLU . 17246 1 58 76 ILE . 17246 1 59 77 ALA . 17246 1 60 78 GLY . 17246 1 61 79 VAL . 17246 1 62 80 MET . 17246 1 63 81 PHE . 17246 1 64 82 VAL . 17246 1 65 83 TRP . 17246 1 66 84 THR . 17246 1 67 85 ASN . 17246 1 68 86 THR . 17246 1 69 87 ASN . 17246 1 70 88 ASN . 17246 1 71 89 GLU . 17246 1 72 90 ILE . 17246 1 73 91 ILE . 17246 1 74 92 ASP . 17246 1 75 93 GLU . 17246 1 76 94 ASN . 17246 1 77 95 GLY . 17246 1 78 96 GLN . 17246 1 79 97 THR . 17246 1 80 98 LEU . 17246 1 81 99 GLY . 17246 1 82 100 VAL . 17246 1 83 101 ASN . 17246 1 84 102 ILE . 17246 1 85 103 ASP . 17246 1 86 104 PRO . 17246 1 87 105 GLN . 17246 1 88 106 THR . 17246 1 89 107 PHE . 17246 1 90 108 LYS . 17246 1 91 109 LEU . 17246 1 92 110 SER . 17246 1 93 111 GLY . 17246 1 94 112 ALA . 17246 1 95 113 MET . 17246 1 96 114 PRO . 17246 1 97 115 ALA . 17246 1 98 116 THR . 17246 1 99 117 ALA . 17246 1 100 118 MET . 17246 1 101 119 LYS . 17246 1 102 120 LYS . 17246 1 103 121 LEU . 17246 1 104 122 THR . 17246 1 105 123 GLU . 17246 1 106 124 ALA . 17246 1 107 125 GLU . 17246 1 108 126 GLY . 17246 1 109 127 ALA . 17246 1 110 128 LYS . 17246 1 111 129 PHE . 17246 1 112 130 ASN . 17246 1 113 131 THR . 17246 1 114 132 ALA . 17246 1 115 133 ASN . 17246 1 116 134 LEU . 17246 1 117 135 PRO . 17246 1 118 136 ALA . 17246 1 119 137 ALA . 17246 1 120 138 LYS . 17246 1 121 139 TYR . 17246 1 122 140 LYS . 17246 1 123 141 ILE . 17246 1 124 142 TYR . 17246 1 125 143 GLU . 17246 1 126 144 ILE . 17246 1 127 145 HIS . 17246 1 128 146 SER . 17246 1 129 147 LEU . 17246 1 130 148 SER . 17246 1 131 149 THR . 17246 1 132 150 TYR . 17246 1 133 151 VAL . 17246 1 134 152 GLY . 17246 1 135 153 GLU . 17246 1 136 154 ASP . 17246 1 137 155 GLY . 17246 1 138 156 ALA . 17246 1 139 157 THR . 17246 1 140 158 LEU . 17246 1 141 159 THR . 17246 1 142 160 GLY . 17246 1 143 161 SER . 17246 1 144 162 LYS . 17246 1 145 163 ALA . 17246 1 146 164 VAL . 17246 1 147 165 PRO . 17246 1 148 166 ILE . 17246 1 149 167 GLU . 17246 1 150 168 ILE . 17246 1 151 169 GLU . 17246 1 152 170 LEU . 17246 1 153 171 PRO . 17246 1 154 172 LEU . 17246 1 155 173 ASN . 17246 1 156 174 ASP . 17246 1 157 175 VAL . 17246 1 158 176 VAL . 17246 1 159 177 ASP . 17246 1 160 178 ALA . 17246 1 161 179 HIS . 17246 1 162 180 VAL . 17246 1 163 181 TYR . 17246 1 164 182 PRO . 17246 1 165 183 LYS . 17246 1 166 184 ASN . 17246 1 167 185 THR . 17246 1 168 186 GLU . 17246 1 169 187 ALA . 17246 1 170 188 LYS . 17246 1 171 189 PRO . 17246 1 172 190 LYS . 17246 1 173 191 ILE . 17246 1 174 192 LEU . 17246 1 175 193 GLU . 17246 1 176 194 HIS . 17246 1 177 195 HIS . 17246 1 178 196 HIS . 17246 1 179 197 HIS . 17246 1 180 198 HIS . 17246 1 181 199 HIS . 17246 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17246 1 . GLU 2 2 17246 1 . THR 3 3 17246 1 . ALA 4 4 17246 1 . SER 5 5 17246 1 . ALA 6 6 17246 1 . ALA 7 7 17246 1 . THR 8 8 17246 1 . VAL 9 9 17246 1 . PHE 10 10 17246 1 . ALA 11 11 17246 1 . ALA 12 12 17246 1 . GLY 13 13 17246 1 . THR 14 14 17246 1 . THR 15 15 17246 1 . THR 16 16 17246 1 . THR 17 17 17246 1 . SER 18 18 17246 1 . VAL 19 19 17246 1 . THR 20 20 17246 1 . VAL 21 21 17246 1 . HIS 22 22 17246 1 . LYS 23 23 17246 1 . LEU 24 24 17246 1 . LEU 25 25 17246 1 . ALA 26 26 17246 1 . THR 27 27 17246 1 . ASP 28 28 17246 1 . GLY 29 29 17246 1 . ASP 30 30 17246 1 . MET 31 31 17246 1 . ASP 32 32 17246 1 . LYS 33 33 17246 1 . ILE 34 34 17246 1 . ALA 35 35 17246 1 . ASN 36 36 17246 1 . GLU 37 37 17246 1 . LEU 38 38 17246 1 . GLU 39 39 17246 1 . THR 40 40 17246 1 . GLY 41 41 17246 1 . ASN 42 42 17246 1 . TYR 43 43 17246 1 . ALA 44 44 17246 1 . GLY 45 45 17246 1 . ASN 46 46 17246 1 . LYS 47 47 17246 1 . VAL 48 48 17246 1 . GLY 49 49 17246 1 . VAL 50 50 17246 1 . LEU 51 51 17246 1 . PRO 52 52 17246 1 . ALA 53 53 17246 1 . ASN 54 54 17246 1 . ALA 55 55 17246 1 . LYS 56 56 17246 1 . GLU 57 57 17246 1 . ILE 58 58 17246 1 . ALA 59 59 17246 1 . GLY 60 60 17246 1 . VAL 61 61 17246 1 . MET 62 62 17246 1 . PHE 63 63 17246 1 . VAL 64 64 17246 1 . TRP 65 65 17246 1 . THR 66 66 17246 1 . ASN 67 67 17246 1 . THR 68 68 17246 1 . ASN 69 69 17246 1 . ASN 70 70 17246 1 . GLU 71 71 17246 1 . ILE 72 72 17246 1 . ILE 73 73 17246 1 . ASP 74 74 17246 1 . GLU 75 75 17246 1 . ASN 76 76 17246 1 . GLY 77 77 17246 1 . GLN 78 78 17246 1 . THR 79 79 17246 1 . LEU 80 80 17246 1 . GLY 81 81 17246 1 . VAL 82 82 17246 1 . ASN 83 83 17246 1 . ILE 84 84 17246 1 . ASP 85 85 17246 1 . PRO 86 86 17246 1 . GLN 87 87 17246 1 . THR 88 88 17246 1 . PHE 89 89 17246 1 . LYS 90 90 17246 1 . LEU 91 91 17246 1 . SER 92 92 17246 1 . GLY 93 93 17246 1 . ALA 94 94 17246 1 . MET 95 95 17246 1 . PRO 96 96 17246 1 . ALA 97 97 17246 1 . THR 98 98 17246 1 . ALA 99 99 17246 1 . MET 100 100 17246 1 . LYS 101 101 17246 1 . LYS 102 102 17246 1 . LEU 103 103 17246 1 . THR 104 104 17246 1 . GLU 105 105 17246 1 . ALA 106 106 17246 1 . GLU 107 107 17246 1 . GLY 108 108 17246 1 . ALA 109 109 17246 1 . LYS 110 110 17246 1 . PHE 111 111 17246 1 . ASN 112 112 17246 1 . THR 113 113 17246 1 . ALA 114 114 17246 1 . ASN 115 115 17246 1 . LEU 116 116 17246 1 . PRO 117 117 17246 1 . ALA 118 118 17246 1 . ALA 119 119 17246 1 . LYS 120 120 17246 1 . TYR 121 121 17246 1 . LYS 122 122 17246 1 . ILE 123 123 17246 1 . TYR 124 124 17246 1 . GLU 125 125 17246 1 . ILE 126 126 17246 1 . HIS 127 127 17246 1 . SER 128 128 17246 1 . LEU 129 129 17246 1 . SER 130 130 17246 1 . THR 131 131 17246 1 . TYR 132 132 17246 1 . VAL 133 133 17246 1 . GLY 134 134 17246 1 . GLU 135 135 17246 1 . ASP 136 136 17246 1 . GLY 137 137 17246 1 . ALA 138 138 17246 1 . THR 139 139 17246 1 . LEU 140 140 17246 1 . THR 141 141 17246 1 . GLY 142 142 17246 1 . SER 143 143 17246 1 . LYS 144 144 17246 1 . ALA 145 145 17246 1 . VAL 146 146 17246 1 . PRO 147 147 17246 1 . ILE 148 148 17246 1 . GLU 149 149 17246 1 . ILE 150 150 17246 1 . GLU 151 151 17246 1 . LEU 152 152 17246 1 . PRO 153 153 17246 1 . LEU 154 154 17246 1 . ASN 155 155 17246 1 . ASP 156 156 17246 1 . VAL 157 157 17246 1 . VAL 158 158 17246 1 . ASP 159 159 17246 1 . ALA 160 160 17246 1 . HIS 161 161 17246 1 . VAL 162 162 17246 1 . TYR 163 163 17246 1 . PRO 164 164 17246 1 . LYS 165 165 17246 1 . ASN 166 166 17246 1 . THR 167 167 17246 1 . GLU 168 168 17246 1 . ALA 169 169 17246 1 . LYS 170 170 17246 1 . PRO 171 171 17246 1 . LYS 172 172 17246 1 . ILE 173 173 17246 1 . LEU 174 174 17246 1 . GLU 175 175 17246 1 . HIS 176 176 17246 1 . HIS 177 177 17246 1 . HIS 178 178 17246 1 . HIS 179 179 17246 1 . HIS 180 180 17246 1 . HIS 181 181 17246 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 17246 _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 $CELL_WALL_SURFACE_ANCHOR . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae TIGR4 . . . . . . . . . . . . . . . rrgB . . . . 17246 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 17246 _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 $CELL_WALL_SURFACE_ANCHOR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'pET 21b+' . . . . . . 17246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer NaP 20mM pH 7.2' _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 CELL_WALL_SURFACE_ANCHOR '[U-95% 15N]' . . 1 $CELL_WALL_SURFACE_ANCHOR . . 0.5 . . mM . . . . 17246 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17246 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17246 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17246 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17246 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer NaP 20mM pH7.2' _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 CELL_WALL_SURFACE_ANCHOR 'natural abundance' . . 1 $CELL_WALL_SURFACE_ANCHOR . . 0.9 . . mM . . . . 17246 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17246 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17246 2 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17246 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17246 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer NaP 20mM pH 7.2' _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 CELL_WALL_SURFACE_ANCHOR '[U-95% 13C; U-95% 15N]' . . 1 $CELL_WALL_SURFACE_ANCHOR . . 0.4 . . mM . . . . 17246 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17246 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17246 3 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17246 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17246 _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' 20 . mM 17246 1 pH 7.2 . pH 17246 1 pressure 1 . atm 17246 1 temperature 298 . K 17246 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17246 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17246 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17246 _Software.ID 2 _Software.Name AMBER _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy minimization' 17246 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17246 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17246 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17246 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17246 _Software.ID 4 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17246 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra visualization' 17246 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17246 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17246 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra visualization' 17246 5 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 17246 _Software.ID 6 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CING) Geerten W. Vuister , Jurgen F. Doreleijers and Alan Wilter Sousa da Silva' . . 17246 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 17246 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17246 _Software.ID 7 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17246 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure visualization' 17246 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17246 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17246 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle calculation' 17246 8 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 17246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17246 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17246 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17246 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17246 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17246 1 2 spectrometer_2 Bruker Avance . 700 . . . 17246 1 3 spectrometer_3 Bruker Avance . 800 . . . 17246 1 4 spectrometer_4 Bruker Avance . 900 . . . 17246 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 17246 _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-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17246 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17246 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 7 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 8 '3D HNCOCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 10 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 11 '3D HNCACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17246 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 17246 _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 dioxane 'methyl carbon' . . . . ppm 69.4 external direct 1.000 . . . . . . . . . 17246 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000 . . . . . . . . . 17246 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17246 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 17246 _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-1H NOESY' . . . 17246 1 2 '2D 1H-1H TOCSY' . . . 17246 1 5 '3D HN(COCA)CB' . . . 17246 1 6 '3D HNCACB' . . . 17246 1 7 '3D HNCO' . . . 17246 1 8 '3D HNCOCA' . . . 17246 1 9 '3D HBHA(CO)NH' . . . 17246 1 10 '3D HNCA' . . . 17246 1 11 '3D HNCACO' . . . 17246 1 12 '3D HCCH-TOCSY' . . . 17246 1 13 '3D 1H-15N NOESY' . . . 17246 1 14 '3D 1H-13C NOESY' . . . 17246 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 7 7 ALA H H 1 8.251 0.020 . 1 . . . . 25 ALA H . 17246 1 2 . 1 1 7 7 ALA HA H 1 4.247 0.020 . 1 . . . . 25 ALA HA . 17246 1 3 . 1 1 7 7 ALA HB1 H 1 1.283 0.020 . 1 . . . . 25 ALA HB . 17246 1 4 . 1 1 7 7 ALA HB2 H 1 1.283 0.020 . 1 . . . . 25 ALA HB . 17246 1 5 . 1 1 7 7 ALA HB3 H 1 1.283 0.020 . 1 . . . . 25 ALA HB . 17246 1 6 . 1 1 7 7 ALA C C 13 177.790 0.400 . 1 . . . . 25 ALA C . 17246 1 7 . 1 1 7 7 ALA CA C 13 52.249 0.400 . 1 . . . . 25 ALA CA . 17246 1 8 . 1 1 7 7 ALA CB C 13 19.021 0.400 . 1 . . . . 25 ALA CB . 17246 1 9 . 1 1 7 7 ALA N N 15 123.204 0.400 . 1 . . . . 25 ALA N . 17246 1 10 . 1 1 8 8 THR H H 1 8.028 0.020 . 1 . . . . 26 THR H . 17246 1 11 . 1 1 8 8 THR HA H 1 4.160 0.020 . 1 . . . . 26 THR HA . 17246 1 12 . 1 1 8 8 THR HB H 1 3.995 0.020 . 1 . . . . 26 THR HB . 17246 1 13 . 1 1 8 8 THR HG21 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 17246 1 14 . 1 1 8 8 THR HG22 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 17246 1 15 . 1 1 8 8 THR HG23 H 1 0.980 0.020 . 1 . . . . 26 THR HG2 . 17246 1 16 . 1 1 8 8 THR C C 13 174.092 0.400 . 1 . . . . 26 THR C . 17246 1 17 . 1 1 8 8 THR CA C 13 61.564 0.400 . 1 . . . . 26 THR CA . 17246 1 18 . 1 1 8 8 THR CB C 13 69.701 0.400 . 1 . . . . 26 THR CB . 17246 1 19 . 1 1 8 8 THR CG2 C 13 21.499 0.400 . 1 . . . . 26 THR CG2 . 17246 1 20 . 1 1 8 8 THR N N 15 114.206 0.400 . 1 . . . . 26 THR N . 17246 1 21 . 1 1 9 9 VAL H H 1 7.974 0.020 . 1 . . . . 27 VAL H . 17246 1 22 . 1 1 9 9 VAL HA H 1 3.986 0.020 . 1 . . . . 27 VAL HA . 17246 1 23 . 1 1 9 9 VAL HB H 1 1.881 0.020 . 1 . . . . 27 VAL HB . 17246 1 24 . 1 1 9 9 VAL HG11 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 17246 1 25 . 1 1 9 9 VAL HG12 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 17246 1 26 . 1 1 9 9 VAL HG13 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 17246 1 27 . 1 1 9 9 VAL HG21 H 1 0.753 0.020 . 2 . . . . 27 VAL HG2 . 17246 1 28 . 1 1 9 9 VAL HG22 H 1 0.753 0.020 . 2 . . . . 27 VAL HG2 . 17246 1 29 . 1 1 9 9 VAL HG23 H 1 0.753 0.020 . 2 . . . . 27 VAL HG2 . 17246 1 30 . 1 1 9 9 VAL C C 13 175.460 0.400 . 1 . . . . 27 VAL C . 17246 1 31 . 1 1 9 9 VAL CA C 13 61.893 0.400 . 1 . . . . 27 VAL CA . 17246 1 32 . 1 1 9 9 VAL CB C 13 32.938 0.400 . 1 . . . . 27 VAL CB . 17246 1 33 . 1 1 9 9 VAL CG1 C 13 21.015 0.400 . 1 . . . . 27 VAL CG1 . 17246 1 34 . 1 1 9 9 VAL CG2 C 13 20.231 0.400 . 1 . . . . 27 VAL CG2 . 17246 1 35 . 1 1 9 9 VAL N N 15 122.684 0.400 . 1 . . . . 27 VAL N . 17246 1 36 . 1 1 10 10 PHE H H 1 8.274 0.020 . 1 . . . . 28 PHE H . 17246 1 37 . 1 1 10 10 PHE HA H 1 4.531 0.020 . 1 . . . . 28 PHE HA . 17246 1 38 . 1 1 10 10 PHE HB2 H 1 3.044 0.020 . 2 . . . . 28 PHE HB2 . 17246 1 39 . 1 1 10 10 PHE HB3 H 1 2.870 0.020 . 2 . . . . 28 PHE HB3 . 17246 1 40 . 1 1 10 10 PHE HD1 H 1 7.159 0.020 . 1 . . . . 28 PHE HD1 . 17246 1 41 . 1 1 10 10 PHE HD2 H 1 7.159 0.020 . 1 . . . . 28 PHE HD2 . 17246 1 42 . 1 1 10 10 PHE HE1 H 1 7.240 0.020 . 1 . . . . 28 PHE HE1 . 17246 1 43 . 1 1 10 10 PHE HE2 H 1 7.240 0.020 . 1 . . . . 28 PHE HE2 . 17246 1 44 . 1 1 10 10 PHE HZ H 1 7.430 0.020 . 1 . . . . 28 PHE HZ . 17246 1 45 . 1 1 10 10 PHE C C 13 175.058 0.400 . 1 . . . . 28 PHE C . 17246 1 46 . 1 1 10 10 PHE CA C 13 57.613 0.400 . 1 . . . . 28 PHE CA . 17246 1 47 . 1 1 10 10 PHE CB C 13 39.615 0.400 . 1 . . . . 28 PHE CB . 17246 1 48 . 1 1 10 10 PHE N N 15 124.466 0.400 . 1 . . . . 28 PHE N . 17246 1 49 . 1 1 11 11 ALA H H 1 8.166 0.020 . 1 . . . . 29 ALA H . 17246 1 50 . 1 1 11 11 ALA HA H 1 4.240 0.020 . 1 . . . . 29 ALA HA . 17246 1 51 . 1 1 11 11 ALA HB1 H 1 1.236 0.020 . 1 . . . . 29 ALA HB . 17246 1 52 . 1 1 11 11 ALA HB2 H 1 1.236 0.020 . 1 . . . . 29 ALA HB . 17246 1 53 . 1 1 11 11 ALA HB3 H 1 1.236 0.020 . 1 . . . . 29 ALA HB . 17246 1 54 . 1 1 11 11 ALA C C 13 176.466 0.400 . 1 . . . . 29 ALA C . 17246 1 55 . 1 1 11 11 ALA CA C 13 52.151 0.400 . 1 . . . . 29 ALA CA . 17246 1 56 . 1 1 11 11 ALA CB C 13 19.558 0.400 . 1 . . . . 29 ALA CB . 17246 1 57 . 1 1 11 11 ALA N N 15 126.397 0.400 . 1 . . . . 29 ALA N . 17246 1 58 . 1 1 12 12 ALA H H 1 8.112 0.020 . 1 . . . . 30 ALA H . 17246 1 59 . 1 1 12 12 ALA HA H 1 4.249 0.020 . 1 . . . . 30 ALA HA . 17246 1 60 . 1 1 12 12 ALA HB1 H 1 1.280 0.020 . 1 . . . . 30 ALA HB . 17246 1 61 . 1 1 12 12 ALA HB2 H 1 1.280 0.020 . 1 . . . . 30 ALA HB . 17246 1 62 . 1 1 12 12 ALA HB3 H 1 1.280 0.020 . 1 . . . . 30 ALA HB . 17246 1 63 . 1 1 12 12 ALA C C 13 177.351 0.400 . 1 . . . . 30 ALA C . 17246 1 64 . 1 1 12 12 ALA CA C 13 52.025 0.400 . 1 . . . . 30 ALA CA . 17246 1 65 . 1 1 12 12 ALA CB C 13 19.916 0.400 . 1 . . . . 30 ALA CB . 17246 1 66 . 1 1 12 12 ALA N N 15 123.528 0.400 . 1 . . . . 30 ALA N . 17246 1 67 . 1 1 13 13 GLY H H 1 7.782 0.020 . 1 . . . . 31 GLY H . 17246 1 68 . 1 1 13 13 GLY HA2 H 1 4.051 0.020 . 2 . . . . 31 GLY HA2 . 17246 1 69 . 1 1 13 13 GLY HA3 H 1 3.815 0.020 . 2 . . . . 31 GLY HA3 . 17246 1 70 . 1 1 13 13 GLY C C 13 173.891 0.400 . 1 . . . . 31 GLY C . 17246 1 71 . 1 1 13 13 GLY CA C 13 44.398 0.400 . 1 . . . . 31 GLY CA . 17246 1 72 . 1 1 13 13 GLY N N 15 106.433 0.400 . 1 . . . . 31 GLY N . 17246 1 73 . 1 1 14 14 THR H H 1 8.271 0.020 . 1 . . . . 32 THR H . 17246 1 74 . 1 1 14 14 THR HA H 1 4.767 0.020 . 1 . . . . 32 THR HA . 17246 1 75 . 1 1 14 14 THR HB H 1 4.257 0.020 . 1 . . . . 32 THR HB . 17246 1 76 . 1 1 14 14 THR HG21 H 1 1.054 0.020 . 1 . . . . 32 THR HG2 . 17246 1 77 . 1 1 14 14 THR HG22 H 1 1.054 0.020 . 1 . . . . 32 THR HG2 . 17246 1 78 . 1 1 14 14 THR HG23 H 1 1.054 0.020 . 1 . . . . 32 THR HG2 . 17246 1 79 . 1 1 14 14 THR C C 13 174.535 0.400 . 1 . . . . 32 THR C . 17246 1 80 . 1 1 14 14 THR CA C 13 60.469 0.400 . 1 . . . . 32 THR CA . 17246 1 81 . 1 1 14 14 THR CB C 13 72.231 0.400 . 1 . . . . 32 THR CB . 17246 1 82 . 1 1 14 14 THR CG2 C 13 20.116 0.400 . 1 . . . . 32 THR CG2 . 17246 1 83 . 1 1 14 14 THR N N 15 112.569 0.400 . 1 . . . . 32 THR N . 17246 1 84 . 1 1 15 15 THR H H 1 7.750 0.020 . 1 . . . . 33 THR H . 17246 1 85 . 1 1 15 15 THR HA H 1 3.987 0.020 . 1 . . . . 33 THR HA . 17246 1 86 . 1 1 15 15 THR HB H 1 4.158 0.020 . 1 . . . . 33 THR HB . 17246 1 87 . 1 1 15 15 THR HG21 H 1 1.125 0.020 . 1 . . . . 33 THR HG2 . 17246 1 88 . 1 1 15 15 THR HG22 H 1 1.125 0.020 . 1 . . . . 33 THR HG2 . 17246 1 89 . 1 1 15 15 THR HG23 H 1 1.125 0.020 . 1 . . . . 33 THR HG2 . 17246 1 90 . 1 1 15 15 THR C C 13 174.535 0.400 . 1 . . . . 33 THR C . 17246 1 91 . 1 1 15 15 THR CA C 13 62.933 0.400 . 1 . . . . 33 THR CA . 17246 1 92 . 1 1 15 15 THR CB C 13 69.343 0.400 . 1 . . . . 33 THR CB . 17246 1 93 . 1 1 15 15 THR CG2 C 13 22.301 0.400 . 1 . . . . 33 THR CG2 . 17246 1 94 . 1 1 15 15 THR N N 15 107.699 0.400 . 1 . . . . 33 THR N . 17246 1 95 . 1 1 16 16 THR H H 1 8.237 0.020 . 1 . . . . 34 THR H . 17246 1 96 . 1 1 16 16 THR HA H 1 4.956 0.020 . 1 . . . . 34 THR HA . 17246 1 97 . 1 1 16 16 THR HB H 1 3.871 0.020 . 1 . . . . 34 THR HB . 17246 1 98 . 1 1 16 16 THR HG21 H 1 1.051 0.020 . 1 . . . . 34 THR HG2 . 17246 1 99 . 1 1 16 16 THR HG22 H 1 1.051 0.020 . 1 . . . . 34 THR HG2 . 17246 1 100 . 1 1 16 16 THR HG23 H 1 1.051 0.020 . 1 . . . . 34 THR HG2 . 17246 1 101 . 1 1 16 16 THR C C 13 175.862 0.400 . 1 . . . . 34 THR C . 17246 1 102 . 1 1 16 16 THR CA C 13 62.177 0.400 . 1 . . . . 34 THR CA . 17246 1 103 . 1 1 16 16 THR CB C 13 69.343 0.400 . 1 . . . . 34 THR CB . 17246 1 104 . 1 1 16 16 THR CG2 C 13 23.713 0.400 . 1 . . . . 34 THR CG2 . 17246 1 105 . 1 1 16 16 THR N N 15 119.915 0.400 . 1 . . . . 34 THR N . 17246 1 106 . 1 1 17 17 THR H H 1 8.387 0.020 . 1 . . . . 35 THR H . 17246 1 107 . 1 1 17 17 THR HA H 1 3.629 0.020 . 1 . . . . 35 THR HA . 17246 1 108 . 1 1 17 17 THR HB H 1 4.266 0.020 . 1 . . . . 35 THR HB . 17246 1 109 . 1 1 17 17 THR HG21 H 1 1.127 0.020 . 1 . . . . 35 THR HG2 . 17246 1 110 . 1 1 17 17 THR HG22 H 1 1.127 0.020 . 1 . . . . 35 THR HG2 . 17246 1 111 . 1 1 17 17 THR HG23 H 1 1.127 0.020 . 1 . . . . 35 THR HG2 . 17246 1 112 . 1 1 17 17 THR C C 13 176.380 0.400 . 1 . . . . 35 THR C . 17246 1 113 . 1 1 17 17 THR CA C 13 63.066 0.400 . 1 . . . . 35 THR CA . 17246 1 114 . 1 1 17 17 THR CB C 13 68.907 0.400 . 1 . . . . 35 THR CB . 17246 1 115 . 1 1 17 17 THR CG2 C 13 22.223 0.400 . 1 . . . . 35 THR CG2 . 17246 1 116 . 1 1 17 17 THR N N 15 118.461 0.400 . 1 . . . . 35 THR N . 17246 1 117 . 1 1 18 18 SER H H 1 8.223 0.020 . 1 . . . . 36 SER H . 17246 1 118 . 1 1 18 18 SER HA H 1 5.089 0.020 . 1 . . . . 36 SER HA . 17246 1 119 . 1 1 18 18 SER HB2 H 1 3.815 0.020 . 2 . . . . 36 SER HB2 . 17246 1 120 . 1 1 18 18 SER HB3 H 1 3.658 0.020 . 2 . . . . 36 SER HB3 . 17246 1 121 . 1 1 18 18 SER C C 13 172.322 0.400 . 1 . . . . 36 SER C . 17246 1 122 . 1 1 18 18 SER CA C 13 59.314 0.400 . 1 . . . . 36 SER CA . 17246 1 123 . 1 1 18 18 SER CB C 13 66.657 0.400 . 1 . . . . 36 SER CB . 17246 1 124 . 1 1 18 18 SER N N 15 118.331 0.400 . 1 . . . . 36 SER N . 17246 1 125 . 1 1 19 19 VAL H H 1 8.087 0.020 . 1 . . . . 37 VAL H . 17246 1 126 . 1 1 19 19 VAL HA H 1 4.198 0.020 . 1 . . . . 37 VAL HA . 17246 1 127 . 1 1 19 19 VAL HB H 1 1.808 0.020 . 1 . . . . 37 VAL HB . 17246 1 128 . 1 1 19 19 VAL HG11 H 1 0.886 0.020 . 2 . . . . 37 VAL HG1 . 17246 1 129 . 1 1 19 19 VAL HG12 H 1 0.886 0.020 . 2 . . . . 37 VAL HG1 . 17246 1 130 . 1 1 19 19 VAL HG13 H 1 0.886 0.020 . 2 . . . . 37 VAL HG1 . 17246 1 131 . 1 1 19 19 VAL HG21 H 1 0.527 0.020 . 2 . . . . 37 VAL HG2 . 17246 1 132 . 1 1 19 19 VAL HG22 H 1 0.527 0.020 . 2 . . . . 37 VAL HG2 . 17246 1 133 . 1 1 19 19 VAL HG23 H 1 0.527 0.020 . 2 . . . . 37 VAL HG2 . 17246 1 134 . 1 1 19 19 VAL C C 13 174.776 0.400 . 1 . . . . 37 VAL C . 17246 1 135 . 1 1 19 19 VAL CA C 13 61.553 0.400 . 1 . . . . 37 VAL CA . 17246 1 136 . 1 1 19 19 VAL CB C 13 36.123 0.400 . 1 . . . . 37 VAL CB . 17246 1 137 . 1 1 19 19 VAL CG1 C 13 23.323 0.400 . 1 . . . . 37 VAL CG1 . 17246 1 138 . 1 1 19 19 VAL CG2 C 13 21.298 0.400 . 1 . . . . 37 VAL CG2 . 17246 1 139 . 1 1 19 19 VAL N N 15 119.173 0.400 . 1 . . . . 37 VAL N . 17246 1 140 . 1 1 20 20 THR H H 1 8.823 0.020 . 1 . . . . 38 THR H . 17246 1 141 . 1 1 20 20 THR HA H 1 5.223 0.020 . 1 . . . . 38 THR HA . 17246 1 142 . 1 1 20 20 THR HB H 1 3.449 0.020 . 1 . . . . 38 THR HB . 17246 1 143 . 1 1 20 20 THR HG21 H 1 0.287 0.020 . 1 . . . . 38 THR HG2 . 17246 1 144 . 1 1 20 20 THR HG22 H 1 0.287 0.020 . 1 . . . . 38 THR HG2 . 17246 1 145 . 1 1 20 20 THR HG23 H 1 0.287 0.020 . 1 . . . . 38 THR HG2 . 17246 1 146 . 1 1 20 20 THR C C 13 172.920 0.400 . 1 . . . . 38 THR C . 17246 1 147 . 1 1 20 20 THR CA C 13 60.838 0.400 . 1 . . . . 38 THR CA . 17246 1 148 . 1 1 20 20 THR CB C 13 68.358 0.400 . 1 . . . . 38 THR CB . 17246 1 149 . 1 1 20 20 THR CG2 C 13 20.431 0.400 . 1 . . . . 38 THR CG2 . 17246 1 150 . 1 1 20 20 THR N N 15 125.532 0.400 . 1 . . . . 38 THR N . 17246 1 151 . 1 1 21 21 VAL H H 1 8.570 0.020 . 1 . . . . 39 VAL H . 17246 1 152 . 1 1 21 21 VAL HA H 1 3.797 0.020 . 1 . . . . 39 VAL HA . 17246 1 153 . 1 1 21 21 VAL HB H 1 1.258 0.020 . 1 . . . . 39 VAL HB . 17246 1 154 . 1 1 21 21 VAL HG11 H 1 0.460 0.020 . 2 . . . . 39 VAL HG1 . 17246 1 155 . 1 1 21 21 VAL HG12 H 1 0.460 0.020 . 2 . . . . 39 VAL HG1 . 17246 1 156 . 1 1 21 21 VAL HG13 H 1 0.460 0.020 . 2 . . . . 39 VAL HG1 . 17246 1 157 . 1 1 21 21 VAL HG21 H 1 -0.583 0.020 . 2 . . . . 39 VAL HG2 . 17246 1 158 . 1 1 21 21 VAL HG22 H 1 -0.583 0.020 . 2 . . . . 39 VAL HG2 . 17246 1 159 . 1 1 21 21 VAL HG23 H 1 -0.583 0.020 . 2 . . . . 39 VAL HG2 . 17246 1 160 . 1 1 21 21 VAL C C 13 174.172 0.400 . 1 . . . . 39 VAL C . 17246 1 161 . 1 1 21 21 VAL CA C 13 60.568 0.400 . 1 . . . . 39 VAL CA . 17246 1 162 . 1 1 21 21 VAL CB C 13 32.900 0.400 . 1 . . . . 39 VAL CB . 17246 1 163 . 1 1 21 21 VAL CG1 C 13 21.425 0.400 . 1 . . . . 39 VAL CG1 . 17246 1 164 . 1 1 21 21 VAL CG2 C 13 19.707 0.400 . 1 . . . . 39 VAL CG2 . 17246 1 165 . 1 1 21 21 VAL N N 15 127.504 0.400 . 1 . . . . 39 VAL N . 17246 1 166 . 1 1 22 22 HIS H H 1 7.834 0.020 . 1 . . . . 40 HIS H . 17246 1 167 . 1 1 22 22 HIS HA H 1 4.581 0.020 . 1 . . . . 40 HIS HA . 17246 1 168 . 1 1 22 22 HIS HB2 H 1 2.571 0.020 . 2 . . . . 40 HIS HB2 . 17246 1 169 . 1 1 22 22 HIS HB3 H 1 2.454 0.020 . 2 . . . . 40 HIS HB3 . 17246 1 170 . 1 1 22 22 HIS HD2 H 1 6.041 0.020 . 1 . . . . 40 HIS HD2 . 17246 1 171 . 1 1 22 22 HIS HE1 H 1 8.410 0.020 . 1 . . . . 40 HIS HE1 . 17246 1 172 . 1 1 22 22 HIS C C 13 173.250 0.400 . 1 . . . . 40 HIS C . 17246 1 173 . 1 1 22 22 HIS CA C 13 54.032 0.400 . 1 . . . . 40 HIS CA . 17246 1 174 . 1 1 22 22 HIS CB C 13 30.984 0.400 . 1 . . . . 40 HIS CB . 17246 1 175 . 1 1 22 22 HIS N N 15 125.118 0.400 . 1 . . . . 40 HIS N . 17246 1 176 . 1 1 22 22 HIS ND1 N 15 184.000 0.400 . 1 . . . . 40 HIS ND1 . 17246 1 177 . 1 1 22 22 HIS NE2 N 15 183.244 0.400 . 1 . . . . 40 HIS NE2 . 17246 1 178 . 1 1 23 23 LYS H H 1 9.749 0.020 . 1 . . . . 41 LYS H . 17246 1 179 . 1 1 23 23 LYS HA H 1 4.665 0.020 . 1 . . . . 41 LYS HA . 17246 1 180 . 1 1 23 23 LYS HB2 H 1 2.285 0.020 . 2 . . . . 41 LYS HB2 . 17246 1 181 . 1 1 23 23 LYS HB3 H 1 1.499 0.020 . 2 . . . . 41 LYS HB3 . 17246 1 182 . 1 1 23 23 LYS HD2 H 1 1.298 0.020 . 2 . . . . 41 LYS HD2 . 17246 1 183 . 1 1 23 23 LYS HD3 H 1 1.298 0.020 . 2 . . . . 41 LYS HD3 . 17246 1 184 . 1 1 23 23 LYS HE2 H 1 2.618 0.020 . 2 . . . . 41 LYS HE2 . 17246 1 185 . 1 1 23 23 LYS HE3 H 1 2.618 0.020 . 2 . . . . 41 LYS HE3 . 17246 1 186 . 1 1 23 23 LYS HG2 H 1 1.957 0.020 . 2 . . . . 41 LYS HG2 . 17246 1 187 . 1 1 23 23 LYS HG3 H 1 1.562 0.020 . 2 . . . . 41 LYS HG3 . 17246 1 188 . 1 1 23 23 LYS C C 13 173.210 0.400 . 1 . . . . 41 LYS C . 17246 1 189 . 1 1 23 23 LYS CA C 13 54.010 0.400 . 1 . . . . 41 LYS CA . 17246 1 190 . 1 1 23 23 LYS CB C 13 32.900 0.400 . 1 . . . . 41 LYS CB . 17246 1 191 . 1 1 23 23 LYS CD C 13 25.995 0.400 . 1 . . . . 41 LYS CD . 17246 1 192 . 1 1 23 23 LYS CE C 13 42.322 0.400 . 1 . . . . 41 LYS CE . 17246 1 193 . 1 1 23 23 LYS CG C 13 28.138 0.400 . 1 . . . . 41 LYS CG . 17246 1 194 . 1 1 23 23 LYS N N 15 124.867 0.400 . 1 . . . . 41 LYS N . 17246 1 195 . 1 1 24 24 LEU H H 1 8.486 0.020 . 1 . . . . 42 LEU H . 17246 1 196 . 1 1 24 24 LEU HA H 1 5.255 0.020 . 1 . . . . 42 LEU HA . 17246 1 197 . 1 1 24 24 LEU HB2 H 1 1.761 0.020 . 2 . . . . 42 LEU HB2 . 17246 1 198 . 1 1 24 24 LEU HB3 H 1 1.069 0.020 . 2 . . . . 42 LEU HB3 . 17246 1 199 . 1 1 24 24 LEU HD11 H 1 0.748 0.020 . 2 . . . . 42 LEU HD1 . 17246 1 200 . 1 1 24 24 LEU HD12 H 1 0.748 0.020 . 2 . . . . 42 LEU HD1 . 17246 1 201 . 1 1 24 24 LEU HD13 H 1 0.748 0.020 . 2 . . . . 42 LEU HD1 . 17246 1 202 . 1 1 24 24 LEU HD21 H 1 0.693 0.020 . 2 . . . . 42 LEU HD2 . 17246 1 203 . 1 1 24 24 LEU HD22 H 1 0.693 0.020 . 2 . . . . 42 LEU HD2 . 17246 1 204 . 1 1 24 24 LEU HD23 H 1 0.693 0.020 . 2 . . . . 42 LEU HD2 . 17246 1 205 . 1 1 24 24 LEU HG H 1 1.694 0.020 . 1 . . . . 42 LEU HG . 17246 1 206 . 1 1 24 24 LEU C C 13 176.100 0.400 . 1 . . . . 42 LEU C . 17246 1 207 . 1 1 24 24 LEU CA C 13 52.868 0.400 . 1 . . . . 42 LEU CA . 17246 1 208 . 1 1 24 24 LEU CB C 13 43.958 0.400 . 1 . . . . 42 LEU CB . 17246 1 209 . 1 1 24 24 LEU CD1 C 13 25.982 0.400 . 1 . . . . 42 LEU CD1 . 17246 1 210 . 1 1 24 24 LEU CD2 C 13 23.312 0.400 . 1 . . . . 42 LEU CD2 . 17246 1 211 . 1 1 24 24 LEU CG C 13 27.429 0.400 . 1 . . . . 42 LEU CG . 17246 1 212 . 1 1 24 24 LEU N N 15 126.647 0.400 . 1 . . . . 42 LEU N . 17246 1 213 . 1 1 25 25 LEU H H 1 8.831 0.020 . 1 . . . . 43 LEU H . 17246 1 214 . 1 1 25 25 LEU HA H 1 4.492 0.020 . 1 . . . . 43 LEU HA . 17246 1 215 . 1 1 25 25 LEU HB2 H 1 1.268 0.020 . 2 . . . . 43 LEU HB2 . 17246 1 216 . 1 1 25 25 LEU HB3 H 1 1.445 0.020 . 2 . . . . 43 LEU HB3 . 17246 1 217 . 1 1 25 25 LEU HD11 H 1 0.664 0.020 . 2 . . . . 43 LEU HD1 . 17246 1 218 . 1 1 25 25 LEU HD12 H 1 0.664 0.020 . 2 . . . . 43 LEU HD1 . 17246 1 219 . 1 1 25 25 LEU HD13 H 1 0.664 0.020 . 2 . . . . 43 LEU HD1 . 17246 1 220 . 1 1 25 25 LEU HD21 H 1 0.748 0.020 . 2 . . . . 43 LEU HD2 . 17246 1 221 . 1 1 25 25 LEU HD22 H 1 0.748 0.020 . 2 . . . . 43 LEU HD2 . 17246 1 222 . 1 1 25 25 LEU HD23 H 1 0.748 0.020 . 2 . . . . 43 LEU HD2 . 17246 1 223 . 1 1 25 25 LEU HG H 1 1.291 0.020 . 1 . . . . 43 LEU HG . 17246 1 224 . 1 1 25 25 LEU C C 13 175.140 0.400 . 1 . . . . 43 LEU C . 17246 1 225 . 1 1 25 25 LEU CA C 13 53.315 0.400 . 1 . . . . 43 LEU CA . 17246 1 226 . 1 1 25 25 LEU CB C 13 45.257 0.400 . 1 . . . . 43 LEU CB . 17246 1 227 . 1 1 25 25 LEU CD1 C 13 25.387 0.400 . 1 . . . . 43 LEU CD1 . 17246 1 228 . 1 1 25 25 LEU CD2 C 13 23.772 0.400 . 1 . . . . 43 LEU CD2 . 17246 1 229 . 1 1 25 25 LEU CG C 13 26.730 0.400 . 1 . . . . 43 LEU CG . 17246 1 230 . 1 1 25 25 LEU N N 15 120.354 0.400 . 1 . . . . 43 LEU N . 17246 1 231 . 1 1 26 26 ALA H H 1 8.227 0.020 . 1 . . . . 44 ALA H . 17246 1 232 . 1 1 26 26 ALA HA H 1 5.121 0.020 . 1 . . . . 44 ALA HA . 17246 1 233 . 1 1 26 26 ALA HB1 H 1 1.173 0.020 . 1 . . . . 44 ALA HB . 17246 1 234 . 1 1 26 26 ALA HB2 H 1 1.173 0.020 . 1 . . . . 44 ALA HB . 17246 1 235 . 1 1 26 26 ALA HB3 H 1 1.173 0.020 . 1 . . . . 44 ALA HB . 17246 1 236 . 1 1 26 26 ALA C C 13 179.484 0.400 . 1 . . . . 44 ALA C . 17246 1 237 . 1 1 26 26 ALA CA C 13 50.162 0.400 . 1 . . . . 44 ALA CA . 17246 1 238 . 1 1 26 26 ALA CB C 13 20.454 0.400 . 1 . . . . 44 ALA CB . 17246 1 239 . 1 1 26 26 ALA N N 15 123.327 0.400 . 1 . . . . 44 ALA N . 17246 1 240 . 1 1 27 27 THR H H 1 9.340 0.020 . 1 . . . . 45 THR H . 17246 1 241 . 1 1 27 27 THR HA H 1 3.980 0.020 . 1 . . . . 45 THR HA . 17246 1 242 . 1 1 27 27 THR HB H 1 4.263 0.020 . 1 . . . . 45 THR HB . 17246 1 243 . 1 1 27 27 THR HG21 H 1 1.063 0.020 . 1 . . . . 45 THR HG2 . 17246 1 244 . 1 1 27 27 THR HG22 H 1 1.063 0.020 . 1 . . . . 45 THR HG2 . 17246 1 245 . 1 1 27 27 THR HG23 H 1 1.063 0.020 . 1 . . . . 45 THR HG2 . 17246 1 246 . 1 1 27 27 THR C C 13 174.860 0.400 . 1 . . . . 45 THR C . 17246 1 247 . 1 1 27 27 THR CA C 13 63.868 0.400 . 1 . . . . 45 THR CA . 17246 1 248 . 1 1 27 27 THR CB C 13 68.358 0.400 . 1 . . . . 45 THR CB . 17246 1 249 . 1 1 27 27 THR CG2 C 13 22.267 0.400 . 1 . . . . 45 THR CG2 . 17246 1 250 . 1 1 27 27 THR N N 15 117.341 0.400 . 1 . . . . 45 THR N . 17246 1 251 . 1 1 28 28 ASP H H 1 7.960 0.020 . 1 . . . . 46 ASP H . 17246 1 252 . 1 1 28 28 ASP HA H 1 4.602 0.020 . 1 . . . . 46 ASP HA . 17246 1 253 . 1 1 28 28 ASP HB2 H 1 2.919 0.020 . 2 . . . . 46 ASP HB2 . 17246 1 254 . 1 1 28 28 ASP HB3 H 1 2.526 0.020 . 2 . . . . 46 ASP HB3 . 17246 1 255 . 1 1 28 28 ASP C C 13 177.430 0.400 . 1 . . . . 46 ASP C . 17246 1 256 . 1 1 28 28 ASP CA C 13 52.868 0.400 . 1 . . . . 46 ASP CA . 17246 1 257 . 1 1 28 28 ASP CB C 13 41.138 0.400 . 1 . . . . 46 ASP CB . 17246 1 258 . 1 1 28 28 ASP N N 15 119.006 0.400 . 1 . . . . 46 ASP N . 17246 1 259 . 1 1 29 29 GLY H H 1 7.590 0.020 . 1 . . . . 47 GLY H . 17246 1 260 . 1 1 29 29 GLY HA2 H 1 3.800 0.020 . 2 . . . . 47 GLY HA2 . 17246 1 261 . 1 1 29 29 GLY HA3 H 1 4.114 0.020 . 2 . . . . 47 GLY HA3 . 17246 1 262 . 1 1 29 29 GLY C C 13 173.529 0.400 . 1 . . . . 47 GLY C . 17246 1 263 . 1 1 29 29 GLY CA C 13 45.794 0.400 . 1 . . . . 47 GLY CA . 17246 1 264 . 1 1 29 29 GLY N N 15 106.243 0.400 . 1 . . . . 47 GLY N . 17246 1 265 . 1 1 30 30 ASP H H 1 7.903 0.020 . 1 . . . . 48 ASP H . 17246 1 266 . 1 1 30 30 ASP HA H 1 4.743 0.020 . 1 . . . . 48 ASP HA . 17246 1 267 . 1 1 30 30 ASP HB2 H 1 2.881 0.020 . 2 . . . . 48 ASP HB2 . 17246 1 268 . 1 1 30 30 ASP HB3 H 1 2.228 0.020 . 2 . . . . 48 ASP HB3 . 17246 1 269 . 1 1 30 30 ASP C C 13 176.023 0.400 . 1 . . . . 48 ASP C . 17246 1 270 . 1 1 30 30 ASP CA C 13 52.957 0.400 . 1 . . . . 48 ASP CA . 17246 1 271 . 1 1 30 30 ASP CB C 13 39.705 0.400 . 1 . . . . 48 ASP CB . 17246 1 272 . 1 1 30 30 ASP N N 15 122.051 0.400 . 1 . . . . 48 ASP N . 17246 1 273 . 1 1 31 31 MET H H 1 8.064 0.020 . 1 . . . . 49 MET H . 17246 1 274 . 1 1 31 31 MET HA H 1 4.295 0.020 . 1 . . . . 49 MET HA . 17246 1 275 . 1 1 31 31 MET HB2 H 1 2.654 0.020 . 2 . . . . 49 MET HB2 . 17246 1 276 . 1 1 31 31 MET HB3 H 1 2.576 0.020 . 2 . . . . 49 MET HB3 . 17246 1 277 . 1 1 31 31 MET HE1 H 1 2.028 0.020 . 1 . . . . 49 MET HE . 17246 1 278 . 1 1 31 31 MET HE2 H 1 2.028 0.020 . 1 . . . . 49 MET HE . 17246 1 279 . 1 1 31 31 MET HE3 H 1 2.028 0.020 . 1 . . . . 49 MET HE . 17246 1 280 . 1 1 31 31 MET HG2 H 1 2.015 0.020 . 2 . . . . 49 MET HG2 . 17246 1 281 . 1 1 31 31 MET HG3 H 1 2.096 0.020 . 2 . . . . 49 MET HG3 . 17246 1 282 . 1 1 31 31 MET C C 13 178.478 0.400 . 1 . . . . 49 MET C . 17246 1 283 . 1 1 31 31 MET CA C 13 56.027 0.400 . 1 . . . . 49 MET CA . 17246 1 284 . 1 1 31 31 MET CB C 13 32.450 0.400 . 1 . . . . 49 MET CB . 17246 1 285 . 1 1 31 31 MET CE C 13 16.670 0.400 . 1 . . . . 49 MET CE . 17246 1 286 . 1 1 31 31 MET CG C 13 31.613 0.400 . 1 . . . . 49 MET CG . 17246 1 287 . 1 1 31 31 MET N N 15 122.460 0.400 . 1 . . . . 49 MET N . 17246 1 288 . 1 1 32 32 ASP H H 1 8.448 0.020 . 1 . . . . 50 ASP H . 17246 1 289 . 1 1 32 32 ASP HA H 1 4.350 0.020 . 1 . . . . 50 ASP HA . 17246 1 290 . 1 1 32 32 ASP HB2 H 1 2.699 0.020 . 2 . . . . 50 ASP HB2 . 17246 1 291 . 1 1 32 32 ASP HB3 H 1 2.564 0.020 . 2 . . . . 50 ASP HB3 . 17246 1 292 . 1 1 32 32 ASP C C 13 177.950 0.400 . 1 . . . . 50 ASP C . 17246 1 293 . 1 1 32 32 ASP CA C 13 57.537 0.400 . 1 . . . . 50 ASP CA . 17246 1 294 . 1 1 32 32 ASP CB C 13 40.135 0.400 . 1 . . . . 50 ASP CB . 17246 1 295 . 1 1 32 32 ASP N N 15 121.616 0.400 . 1 . . . . 50 ASP N . 17246 1 296 . 1 1 33 33 LYS H H 1 7.590 0.020 . 1 . . . . 51 LYS H . 17246 1 297 . 1 1 33 33 LYS HA H 1 3.988 0.020 . 1 . . . . 51 LYS HA . 17246 1 298 . 1 1 33 33 LYS HB2 H 1 1.635 0.020 . 2 . . . . 51 LYS HB2 . 17246 1 299 . 1 1 33 33 LYS HB3 H 1 1.830 0.020 . 2 . . . . 51 LYS HB3 . 17246 1 300 . 1 1 33 33 LYS HD2 H 1 1.611 0.020 . 2 . . . . 51 LYS HD2 . 17246 1 301 . 1 1 33 33 LYS HD3 H 1 1.611 0.020 . 2 . . . . 51 LYS HD3 . 17246 1 302 . 1 1 33 33 LYS HE2 H 1 2.902 0.020 . 2 . . . . 51 LYS HE2 . 17246 1 303 . 1 1 33 33 LYS HE3 H 1 2.902 0.020 . 2 . . . . 51 LYS HE3 . 17246 1 304 . 1 1 33 33 LYS HG2 H 1 1.416 0.020 . 2 . . . . 51 LYS HG2 . 17246 1 305 . 1 1 33 33 LYS HG3 H 1 1.273 0.020 . 2 . . . . 51 LYS HG3 . 17246 1 306 . 1 1 33 33 LYS C C 13 178.719 0.400 . 1 . . . . 51 LYS C . 17246 1 307 . 1 1 33 33 LYS CA C 13 59.314 0.400 . 1 . . . . 51 LYS CA . 17246 1 308 . 1 1 33 33 LYS CB C 13 32.900 0.400 . 1 . . . . 51 LYS CB . 17246 1 309 . 1 1 33 33 LYS CD C 13 29.164 0.400 . 1 . . . . 51 LYS CD . 17246 1 310 . 1 1 33 33 LYS CE C 13 42.091 0.400 . 1 . . . . 51 LYS CE . 17246 1 311 . 1 1 33 33 LYS CG C 13 24.799 0.400 . 1 . . . . 51 LYS CG . 17246 1 312 . 1 1 33 33 LYS N N 15 120.154 0.400 . 1 . . . . 51 LYS N . 17246 1 313 . 1 1 34 34 ILE H H 1 6.903 0.020 . 1 . . . . 52 ILE H . 17246 1 314 . 1 1 34 34 ILE HA H 1 3.485 0.020 . 1 . . . . 52 ILE HA . 17246 1 315 . 1 1 34 34 ILE HB H 1 1.991 0.020 . 1 . . . . 52 ILE HB . 17246 1 316 . 1 1 34 34 ILE HD11 H 1 0.715 0.020 . 1 . . . . 52 ILE HD1 . 17246 1 317 . 1 1 34 34 ILE HD12 H 1 0.715 0.020 . 1 . . . . 52 ILE HD1 . 17246 1 318 . 1 1 34 34 ILE HD13 H 1 0.715 0.020 . 1 . . . . 52 ILE HD1 . 17246 1 319 . 1 1 34 34 ILE HG12 H 1 1.746 0.020 . 2 . . . . 52 ILE HG12 . 17246 1 320 . 1 1 34 34 ILE HG13 H 1 0.833 0.020 . 2 . . . . 52 ILE HG13 . 17246 1 321 . 1 1 34 34 ILE HG21 H 1 0.678 0.020 . 1 . . . . 52 ILE HG2 . 17246 1 322 . 1 1 34 34 ILE HG22 H 1 0.678 0.020 . 1 . . . . 52 ILE HG2 . 17246 1 323 . 1 1 34 34 ILE HG23 H 1 0.678 0.020 . 1 . . . . 52 ILE HG2 . 17246 1 324 . 1 1 34 34 ILE C C 13 176.870 0.400 . 1 . . . . 52 ILE C . 17246 1 325 . 1 1 34 34 ILE CA C 13 65.224 0.400 . 1 . . . . 52 ILE CA . 17246 1 326 . 1 1 34 34 ILE CB C 13 37.914 0.400 . 1 . . . . 52 ILE CB . 17246 1 327 . 1 1 34 34 ILE CD1 C 13 13.803 0.400 . 1 . . . . 52 ILE CD1 . 17246 1 328 . 1 1 34 34 ILE CG1 C 13 29.752 0.400 . 1 . . . . 52 ILE CG1 . 17246 1 329 . 1 1 34 34 ILE CG2 C 13 17.470 0.400 . 1 . . . . 52 ILE CG2 . 17246 1 330 . 1 1 34 34 ILE N N 15 117.669 0.400 . 1 . . . . 52 ILE N . 17246 1 331 . 1 1 35 35 ALA H H 1 8.115 0.020 . 1 . . . . 53 ALA H . 17246 1 332 . 1 1 35 35 ALA HA H 1 3.894 0.020 . 1 . . . . 53 ALA HA . 17246 1 333 . 1 1 35 35 ALA HB1 H 1 1.441 0.020 . 1 . . . . 53 ALA HB . 17246 1 334 . 1 1 35 35 ALA HB2 H 1 1.441 0.020 . 1 . . . . 53 ALA HB . 17246 1 335 . 1 1 35 35 ALA HB3 H 1 1.441 0.020 . 1 . . . . 53 ALA HB . 17246 1 336 . 1 1 35 35 ALA C C 13 179.926 0.400 . 1 . . . . 53 ALA C . 17246 1 337 . 1 1 35 35 ALA CA C 13 55.196 0.400 . 1 . . . . 53 ALA CA . 17246 1 338 . 1 1 35 35 ALA CB C 13 18.305 0.400 . 1 . . . . 53 ALA CB . 17246 1 339 . 1 1 35 35 ALA N N 15 121.292 0.400 . 1 . . . . 53 ALA N . 17246 1 340 . 1 1 36 36 ASN H H 1 8.306 0.020 . 1 . . . . 54 ASN H . 17246 1 341 . 1 1 36 36 ASN HA H 1 4.413 0.020 . 1 . . . . 54 ASN HA . 17246 1 342 . 1 1 36 36 ASN HB2 H 1 2.811 0.020 . 2 . . . . 54 ASN HB2 . 17246 1 343 . 1 1 36 36 ASN HB3 H 1 2.736 0.020 . 2 . . . . 54 ASN HB3 . 17246 1 344 . 1 1 36 36 ASN HD21 H 1 7.560 0.020 . 2 . . . . 54 ASN HD21 . 17246 1 345 . 1 1 36 36 ASN HD22 H 1 6.873 0.020 . 2 . . . . 54 ASN HD22 . 17246 1 346 . 1 1 36 36 ASN C C 13 177.633 0.400 . 1 . . . . 54 ASN C . 17246 1 347 . 1 1 36 36 ASN CA C 13 56.021 0.400 . 1 . . . . 54 ASN CA . 17246 1 348 . 1 1 36 36 ASN CB C 13 38.599 0.400 . 1 . . . . 54 ASN CB . 17246 1 349 . 1 1 36 36 ASN N N 15 115.662 0.400 . 1 . . . . 54 ASN N . 17246 1 350 . 1 1 36 36 ASN ND2 N 15 112.764 0.400 . 1 . . . . 54 ASN ND2 . 17246 1 351 . 1 1 37 37 GLU H H 1 8.070 0.020 . 1 . . . . 55 GLU H . 17246 1 352 . 1 1 37 37 GLU HA H 1 4.004 0.020 . 1 . . . . 55 GLU HA . 17246 1 353 . 1 1 37 37 GLU HB2 H 1 1.978 0.020 . 2 . . . . 55 GLU HB2 . 17246 1 354 . 1 1 37 37 GLU HB3 H 1 1.955 0.020 . 2 . . . . 55 GLU HB3 . 17246 1 355 . 1 1 37 37 GLU HG2 H 1 2.364 0.020 . 2 . . . . 55 GLU HG2 . 17246 1 356 . 1 1 37 37 GLU HG3 H 1 2.138 0.020 . 2 . . . . 55 GLU HG3 . 17246 1 357 . 1 1 37 37 GLU C C 13 179.323 0.400 . 1 . . . . 55 GLU C . 17246 1 358 . 1 1 37 37 GLU CA C 13 59.479 0.400 . 1 . . . . 55 GLU CA . 17246 1 359 . 1 1 37 37 GLU CB C 13 29.497 0.400 . 1 . . . . 55 GLU CB . 17246 1 360 . 1 1 37 37 GLU CG C 13 36.719 0.400 . 1 . . . . 55 GLU CG . 17246 1 361 . 1 1 37 37 GLU N N 15 120.613 0.400 . 1 . . . . 55 GLU N . 17246 1 362 . 1 1 38 38 LEU H H 1 8.218 0.020 . 1 . . . . 56 LEU H . 17246 1 363 . 1 1 38 38 LEU HA H 1 4.051 0.020 . 1 . . . . 56 LEU HA . 17246 1 364 . 1 1 38 38 LEU HB2 H 1 1.755 0.020 . 2 . . . . 56 LEU HB2 . 17246 1 365 . 1 1 38 38 LEU HB3 H 1 1.323 0.020 . 2 . . . . 56 LEU HB3 . 17246 1 366 . 1 1 38 38 LEU HD11 H 1 0.521 0.020 . 2 . . . . 56 LEU HD1 . 17246 1 367 . 1 1 38 38 LEU HD12 H 1 0.521 0.020 . 2 . . . . 56 LEU HD1 . 17246 1 368 . 1 1 38 38 LEU HD13 H 1 0.521 0.020 . 2 . . . . 56 LEU HD1 . 17246 1 369 . 1 1 38 38 LEU HD21 H 1 0.329 0.020 . 2 . . . . 56 LEU HD2 . 17246 1 370 . 1 1 38 38 LEU HD22 H 1 0.329 0.020 . 2 . . . . 56 LEU HD2 . 17246 1 371 . 1 1 38 38 LEU HD23 H 1 0.329 0.020 . 2 . . . . 56 LEU HD2 . 17246 1 372 . 1 1 38 38 LEU HG H 1 1.576 0.020 . 1 . . . . 56 LEU HG . 17246 1 373 . 1 1 38 38 LEU C C 13 179.283 0.400 . 1 . . . . 56 LEU C . 17246 1 374 . 1 1 38 38 LEU CA C 13 57.242 0.400 . 1 . . . . 56 LEU CA . 17246 1 375 . 1 1 38 38 LEU CB C 13 41.585 0.400 . 1 . . . . 56 LEU CB . 17246 1 376 . 1 1 38 38 LEU CD1 C 13 25.471 0.400 . 1 . . . . 56 LEU CD1 . 17246 1 377 . 1 1 38 38 LEU CD2 C 13 23.288 0.400 . 1 . . . . 56 LEU CD2 . 17246 1 378 . 1 1 38 38 LEU CG C 13 26.814 0.400 . 1 . . . . 56 LEU CG . 17246 1 379 . 1 1 38 38 LEU N N 15 119.747 0.400 . 1 . . . . 56 LEU N . 17246 1 380 . 1 1 39 39 GLU H H 1 8.099 0.020 . 1 . . . . 57 GLU H . 17246 1 381 . 1 1 39 39 GLU HA H 1 4.098 0.020 . 1 . . . . 57 GLU HA . 17246 1 382 . 1 1 39 39 GLU HB2 H 1 2.086 0.020 . 2 . . . . 57 GLU HB2 . 17246 1 383 . 1 1 39 39 GLU HB3 H 1 2.086 0.020 . 2 . . . . 57 GLU HB3 . 17246 1 384 . 1 1 39 39 GLU HG2 H 1 2.294 0.020 . 2 . . . . 57 GLU HG2 . 17246 1 385 . 1 1 39 39 GLU HG3 H 1 2.246 0.020 . 2 . . . . 57 GLU HG3 . 17246 1 386 . 1 1 39 39 GLU C C 13 178.679 0.400 . 1 . . . . 57 GLU C . 17246 1 387 . 1 1 39 39 GLU CA C 13 58.792 0.400 . 1 . . . . 57 GLU CA . 17246 1 388 . 1 1 39 39 GLU CB C 13 29.587 0.400 . 1 . . . . 57 GLU CB . 17246 1 389 . 1 1 39 39 GLU CG C 13 36.250 0.400 . 1 . . . . 57 GLU CG . 17246 1 390 . 1 1 39 39 GLU N N 15 119.541 0.400 . 1 . . . . 57 GLU N . 17246 1 391 . 1 1 40 40 THR H H 1 7.962 0.020 . 1 . . . . 58 THR H . 17246 1 392 . 1 1 40 40 THR HA H 1 4.084 0.020 . 1 . . . . 58 THR HA . 17246 1 393 . 1 1 40 40 THR HB H 1 4.188 0.020 . 1 . . . . 58 THR HB . 17246 1 394 . 1 1 40 40 THR HG21 H 1 1.170 0.020 . 1 . . . . 58 THR HG2 . 17246 1 395 . 1 1 40 40 THR HG22 H 1 1.170 0.020 . 1 . . . . 58 THR HG2 . 17246 1 396 . 1 1 40 40 THR HG23 H 1 1.170 0.020 . 1 . . . . 58 THR HG2 . 17246 1 397 . 1 1 40 40 THR C C 13 175.782 0.400 . 1 . . . . 58 THR C . 17246 1 398 . 1 1 40 40 THR CA C 13 64.080 0.400 . 1 . . . . 58 THR CA . 17246 1 399 . 1 1 40 40 THR CB C 13 69.608 0.400 . 1 . . . . 58 THR CB . 17246 1 400 . 1 1 40 40 THR CG2 C 13 21.693 0.400 . 1 . . . . 58 THR CG2 . 17246 1 401 . 1 1 40 40 THR N N 15 112.145 0.400 . 1 . . . . 58 THR N . 17246 1 402 . 1 1 41 41 GLY H H 1 7.813 0.020 . 1 . . . . 59 GLY H . 17246 1 403 . 1 1 41 41 GLY HA2 H 1 3.779 0.020 . 2 . . . . 59 GLY HA2 . 17246 1 404 . 1 1 41 41 GLY HA3 H 1 3.524 0.020 . 2 . . . . 59 GLY HA3 . 17246 1 405 . 1 1 41 41 GLY C C 13 173.529 0.400 . 1 . . . . 59 GLY C . 17246 1 406 . 1 1 41 41 GLY CA C 13 45.704 0.400 . 1 . . . . 59 GLY CA . 17246 1 407 . 1 1 41 41 GLY N N 15 108.620 0.400 . 1 . . . . 59 GLY N . 17246 1 408 . 1 1 42 42 ASN H H 1 7.700 0.020 . 1 . . . . 60 ASN H . 17246 1 409 . 1 1 42 42 ASN HA H 1 4.518 0.020 . 1 . . . . 60 ASN HA . 17246 1 410 . 1 1 42 42 ASN HB2 H 1 2.785 0.020 . 2 . . . . 60 ASN HB2 . 17246 1 411 . 1 1 42 42 ASN HB3 H 1 2.436 0.020 . 2 . . . . 60 ASN HB3 . 17246 1 412 . 1 1 42 42 ASN HD21 H 1 7.451 0.020 . 2 . . . . 60 ASN HD21 . 17246 1 413 . 1 1 42 42 ASN HD22 H 1 6.760 0.020 . 2 . . . . 60 ASN HD22 . 17246 1 414 . 1 1 42 42 ASN C C 13 174.454 0.400 . 1 . . . . 60 ASN C . 17246 1 415 . 1 1 42 42 ASN CA C 13 53.405 0.400 . 1 . . . . 60 ASN CA . 17246 1 416 . 1 1 42 42 ASN CB C 13 38.075 0.400 . 1 . . . . 60 ASN CB . 17246 1 417 . 1 1 42 42 ASN N N 15 116.577 0.400 . 1 . . . . 60 ASN N . 17246 1 418 . 1 1 42 42 ASN ND2 N 15 112.131 0.400 . 1 . . . . 60 ASN ND2 . 17246 1 419 . 1 1 43 43 TYR H H 1 8.114 0.020 . 1 . . . . 61 TYR H . 17246 1 420 . 1 1 43 43 TYR HA H 1 4.217 0.020 . 1 . . . . 61 TYR HA . 17246 1 421 . 1 1 43 43 TYR HB2 H 1 3.020 0.020 . 2 . . . . 61 TYR HB2 . 17246 1 422 . 1 1 43 43 TYR HB3 H 1 2.733 0.020 . 2 . . . . 61 TYR HB3 . 17246 1 423 . 1 1 43 43 TYR HD1 H 1 7.057 0.020 . 1 . . . . 61 TYR HD1 . 17246 1 424 . 1 1 43 43 TYR HD2 H 1 7.057 0.020 . 1 . . . . 61 TYR HD2 . 17246 1 425 . 1 1 43 43 TYR HE1 H 1 6.810 0.020 . 1 . . . . 61 TYR HE1 . 17246 1 426 . 1 1 43 43 TYR HE2 H 1 6.810 0.020 . 1 . . . . 61 TYR HE2 . 17246 1 427 . 1 1 43 43 TYR C C 13 177.155 0.400 . 1 . . . . 61 TYR C . 17246 1 428 . 1 1 43 43 TYR CA C 13 60.120 0.400 . 1 . . . . 61 TYR CA . 17246 1 429 . 1 1 43 43 TYR CB C 13 38.304 0.400 . 1 . . . . 61 TYR CB . 17246 1 430 . 1 1 43 43 TYR N N 15 118.289 0.400 . 1 . . . . 61 TYR N . 17246 1 431 . 1 1 44 44 ALA H H 1 8.427 0.020 . 1 . . . . 62 ALA H . 17246 1 432 . 1 1 44 44 ALA HA H 1 4.193 0.020 . 1 . . . . 62 ALA HA . 17246 1 433 . 1 1 44 44 ALA HB1 H 1 1.268 0.020 . 1 . . . . 62 ALA HB . 17246 1 434 . 1 1 44 44 ALA HB2 H 1 1.268 0.020 . 1 . . . . 62 ALA HB . 17246 1 435 . 1 1 44 44 ALA HB3 H 1 1.268 0.020 . 1 . . . . 62 ALA HB . 17246 1 436 . 1 1 44 44 ALA C C 13 176.748 0.400 . 1 . . . . 62 ALA C . 17246 1 437 . 1 1 44 44 ALA CA C 13 53.152 0.400 . 1 . . . . 62 ALA CA . 17246 1 438 . 1 1 44 44 ALA CB C 13 18.394 0.400 . 1 . . . . 62 ALA CB . 17246 1 439 . 1 1 44 44 ALA N N 15 123.046 0.400 . 1 . . . . 62 ALA N . 17246 1 440 . 1 1 45 45 GLY H H 1 8.080 0.020 . 1 . . . . 63 GLY H . 17246 1 441 . 1 1 45 45 GLY HA2 H 1 4.334 0.020 . 2 . . . . 63 GLY HA2 . 17246 1 442 . 1 1 45 45 GLY HA3 H 1 3.815 0.020 . 2 . . . . 63 GLY HA3 . 17246 1 443 . 1 1 45 45 GLY C C 13 174.414 0.400 . 1 . . . . 63 GLY C . 17246 1 444 . 1 1 45 45 GLY CA C 13 45.859 0.400 . 1 . . . . 63 GLY CA . 17246 1 445 . 1 1 45 45 GLY N N 15 105.671 0.400 . 1 . . . . 63 GLY N . 17246 1 446 . 1 1 46 46 ASN H H 1 8.118 0.020 . 1 . . . . 64 ASN H . 17246 1 447 . 1 1 46 46 ASN HA H 1 4.925 0.020 . 1 . . . . 64 ASN HA . 17246 1 448 . 1 1 46 46 ASN HB2 H 1 2.852 0.020 . 2 . . . . 64 ASN HB2 . 17246 1 449 . 1 1 46 46 ASN HB3 H 1 2.731 0.020 . 2 . . . . 64 ASN HB3 . 17246 1 450 . 1 1 46 46 ASN HD21 H 1 7.521 0.020 . 2 . . . . 64 ASN HD21 . 17246 1 451 . 1 1 46 46 ASN HD22 H 1 7.015 0.020 . 2 . . . . 64 ASN HD22 . 17246 1 452 . 1 1 46 46 ASN C C 13 174.816 0.400 . 1 . . . . 64 ASN C . 17246 1 453 . 1 1 46 46 ASN CA C 13 52.885 0.400 . 1 . . . . 64 ASN CA . 17246 1 454 . 1 1 46 46 ASN CB C 13 39.667 0.400 . 1 . . . . 64 ASN CB . 17246 1 455 . 1 1 46 46 ASN N N 15 117.926 0.400 . 1 . . . . 64 ASN N . 17246 1 456 . 1 1 46 46 ASN ND2 N 15 113.820 0.400 . 1 . . . . 64 ASN ND2 . 17246 1 457 . 1 1 47 47 LYS H H 1 8.414 0.020 . 1 . . . . 65 LYS H . 17246 1 458 . 1 1 47 47 LYS HA H 1 3.567 0.020 . 1 . . . . 65 LYS HA . 17246 1 459 . 1 1 47 47 LYS HB2 H 1 1.256 0.020 . 2 . . . . 65 LYS HB2 . 17246 1 460 . 1 1 47 47 LYS HB3 H 1 0.524 0.020 . 2 . . . . 65 LYS HB3 . 17246 1 461 . 1 1 47 47 LYS HD2 H 1 1.255 0.020 . 2 . . . . 65 LYS HD2 . 17246 1 462 . 1 1 47 47 LYS HD3 H 1 1.255 0.020 . 2 . . . . 65 LYS HD3 . 17246 1 463 . 1 1 47 47 LYS HE2 H 1 2.750 0.020 . 2 . . . . 65 LYS HE2 . 17246 1 464 . 1 1 47 47 LYS HE3 H 1 2.750 0.020 . 2 . . . . 65 LYS HE3 . 17246 1 465 . 1 1 47 47 LYS HG2 H 1 0.577 0.020 . 2 . . . . 65 LYS HG2 . 17246 1 466 . 1 1 47 47 LYS HG3 H 1 0.860 0.020 . 2 . . . . 65 LYS HG3 . 17246 1 467 . 1 1 47 47 LYS C C 13 176.345 0.400 . 1 . . . . 65 LYS C . 17246 1 468 . 1 1 47 47 LYS CA C 13 57.442 0.400 . 1 . . . . 65 LYS CA . 17246 1 469 . 1 1 47 47 LYS CB C 13 33.051 0.400 . 1 . . . . 65 LYS CB . 17246 1 470 . 1 1 47 47 LYS CD C 13 29.500 0.400 . 1 . . . . 65 LYS CD . 17246 1 471 . 1 1 47 47 LYS CE C 13 42.259 0.400 . 1 . . . . 65 LYS CE . 17246 1 472 . 1 1 47 47 LYS CG C 13 25.022 0.400 . 1 . . . . 65 LYS CG . 17246 1 473 . 1 1 47 47 LYS N N 15 121.160 0.400 . 1 . . . . 65 LYS N . 17246 1 474 . 1 1 48 48 VAL H H 1 7.659 0.020 . 1 . . . . 66 VAL H . 17246 1 475 . 1 1 48 48 VAL HA H 1 3.225 0.020 . 1 . . . . 66 VAL HA . 17246 1 476 . 1 1 48 48 VAL HB H 1 1.236 0.020 . 1 . . . . 66 VAL HB . 17246 1 477 . 1 1 48 48 VAL HG11 H 1 0.287 0.020 . 2 . . . . 66 VAL HG1 . 17246 1 478 . 1 1 48 48 VAL HG12 H 1 0.287 0.020 . 2 . . . . 66 VAL HG1 . 17246 1 479 . 1 1 48 48 VAL HG13 H 1 0.287 0.020 . 2 . . . . 66 VAL HG1 . 17246 1 480 . 1 1 48 48 VAL HG21 H 1 -0.163 0.020 . 2 . . . . 66 VAL HG2 . 17246 1 481 . 1 1 48 48 VAL HG22 H 1 -0.163 0.020 . 2 . . . . 66 VAL HG2 . 17246 1 482 . 1 1 48 48 VAL HG23 H 1 -0.163 0.020 . 2 . . . . 66 VAL HG2 . 17246 1 483 . 1 1 48 48 VAL C C 13 176.104 0.400 . 1 . . . . 66 VAL C . 17246 1 484 . 1 1 48 48 VAL CA C 13 62.251 0.400 . 1 . . . . 66 VAL CA . 17246 1 485 . 1 1 48 48 VAL CB C 13 30.930 0.400 . 1 . . . . 66 VAL CB . 17246 1 486 . 1 1 48 48 VAL CG1 C 13 21.190 0.400 . 1 . . . . 66 VAL CG1 . 17246 1 487 . 1 1 48 48 VAL CG2 C 13 20.182 0.400 . 1 . . . . 66 VAL CG2 . 17246 1 488 . 1 1 48 48 VAL N N 15 126.671 0.400 . 1 . . . . 66 VAL N . 17246 1 489 . 1 1 49 49 GLY H H 1 8.131 0.020 . 1 . . . . 67 GLY H . 17246 1 490 . 1 1 49 49 GLY HA2 H 1 3.658 0.020 . 2 . . . . 67 GLY HA2 . 17246 1 491 . 1 1 49 49 GLY HA3 H 1 3.624 0.020 . 2 . . . . 67 GLY HA3 . 17246 1 492 . 1 1 49 49 GLY C C 13 173.649 0.400 . 1 . . . . 67 GLY C . 17246 1 493 . 1 1 49 49 GLY CA C 13 46.779 0.400 . 1 . . . . 67 GLY CA . 17246 1 494 . 1 1 49 49 GLY N N 15 115.576 0.400 . 1 . . . . 67 GLY N . 17246 1 495 . 1 1 50 50 VAL H H 1 7.518 0.020 . 1 . . . . 68 VAL H . 17246 1 496 . 1 1 50 50 VAL HA H 1 3.983 0.020 . 1 . . . . 68 VAL HA . 17246 1 497 . 1 1 50 50 VAL HB H 1 1.787 0.020 . 1 . . . . 68 VAL HB . 17246 1 498 . 1 1 50 50 VAL HG11 H 1 0.761 0.020 . 2 . . . . 68 VAL HG1 . 17246 1 499 . 1 1 50 50 VAL HG12 H 1 0.761 0.020 . 2 . . . . 68 VAL HG1 . 17246 1 500 . 1 1 50 50 VAL HG13 H 1 0.761 0.020 . 2 . . . . 68 VAL HG1 . 17246 1 501 . 1 1 50 50 VAL HG21 H 1 0.749 0.020 . 2 . . . . 68 VAL HG2 . 17246 1 502 . 1 1 50 50 VAL HG22 H 1 0.749 0.020 . 2 . . . . 68 VAL HG2 . 17246 1 503 . 1 1 50 50 VAL HG23 H 1 0.749 0.020 . 2 . . . . 68 VAL HG2 . 17246 1 504 . 1 1 50 50 VAL C C 13 174.937 0.400 . 1 . . . . 68 VAL C . 17246 1 505 . 1 1 50 50 VAL CA C 13 61.463 0.400 . 1 . . . . 68 VAL CA . 17246 1 506 . 1 1 50 50 VAL CB C 13 33.258 0.400 . 1 . . . . 68 VAL CB . 17246 1 507 . 1 1 50 50 VAL CG1 C 13 20.783 0.400 . 1 . . . . 68 VAL CG1 . 17246 1 508 . 1 1 50 50 VAL CG2 C 13 20.507 0.400 . 1 . . . . 68 VAL CG2 . 17246 1 509 . 1 1 50 50 VAL N N 15 120.392 0.400 . 1 . . . . 68 VAL N . 17246 1 510 . 1 1 51 51 LEU H H 1 8.415 0.020 . 1 . . . . 69 LEU H . 17246 1 511 . 1 1 51 51 LEU HA H 1 4.049 0.020 . 1 . . . . 69 LEU HA . 17246 1 512 . 1 1 51 51 LEU HB2 H 1 1.577 0.020 . 2 . . . . 69 LEU HB2 . 17246 1 513 . 1 1 51 51 LEU HB3 H 1 1.110 0.020 . 2 . . . . 69 LEU HB3 . 17246 1 514 . 1 1 51 51 LEU HD11 H 1 0.776 0.020 . 2 . . . . 69 LEU HD1 . 17246 1 515 . 1 1 51 51 LEU HD12 H 1 0.776 0.020 . 2 . . . . 69 LEU HD1 . 17246 1 516 . 1 1 51 51 LEU HD13 H 1 0.776 0.020 . 2 . . . . 69 LEU HD1 . 17246 1 517 . 1 1 51 51 LEU HD21 H 1 0.572 0.020 . 2 . . . . 69 LEU HD2 . 17246 1 518 . 1 1 51 51 LEU HD22 H 1 0.572 0.020 . 2 . . . . 69 LEU HD2 . 17246 1 519 . 1 1 51 51 LEU HD23 H 1 0.572 0.020 . 2 . . . . 69 LEU HD2 . 17246 1 520 . 1 1 51 51 LEU HG H 1 1.558 0.020 . 1 . . . . 69 LEU HG . 17246 1 521 . 1 1 51 51 LEU CA C 13 53.315 0.400 . 1 . . . . 69 LEU CA . 17246 1 522 . 1 1 51 51 LEU CB C 13 41.138 0.400 . 1 . . . . 69 LEU CB . 17246 1 523 . 1 1 51 51 LEU CD1 C 13 25.634 0.400 . 1 . . . . 69 LEU CD1 . 17246 1 524 . 1 1 51 51 LEU CD2 C 13 22.873 0.400 . 1 . . . . 69 LEU CD2 . 17246 1 525 . 1 1 51 51 LEU CG C 13 26.867 0.400 . 1 . . . . 69 LEU CG . 17246 1 526 . 1 1 51 51 LEU N N 15 126.664 0.400 . 1 . . . . 69 LEU N . 17246 1 527 . 1 1 52 52 PRO HA H 1 4.310 0.020 . 1 . . . . 70 PRO HA . 17246 1 528 . 1 1 52 52 PRO HB2 H 1 2.322 0.020 . 2 . . . . 70 PRO HB2 . 17246 1 529 . 1 1 52 52 PRO HB3 H 1 1.645 0.020 . 2 . . . . 70 PRO HB3 . 17246 1 530 . 1 1 52 52 PRO HD2 H 1 2.973 0.020 . 2 . . . . 70 PRO HD2 . 17246 1 531 . 1 1 52 52 PRO HD3 H 1 3.578 0.020 . 2 . . . . 70 PRO HD3 . 17246 1 532 . 1 1 52 52 PRO HG2 H 1 1.880 0.020 . 2 . . . . 70 PRO HG2 . 17246 1 533 . 1 1 52 52 PRO HG3 H 1 1.827 0.020 . 2 . . . . 70 PRO HG3 . 17246 1 534 . 1 1 52 52 PRO C C 13 176.707 0.400 . 1 . . . . 70 PRO C . 17246 1 535 . 1 1 52 52 PRO CA C 13 62.884 0.400 . 1 . . . . 70 PRO CA . 17246 1 536 . 1 1 52 52 PRO CB C 13 31.973 0.400 . 1 . . . . 70 PRO CB . 17246 1 537 . 1 1 52 52 PRO CD C 13 49.854 0.400 . 1 . . . . 70 PRO CD . 17246 1 538 . 1 1 52 52 PRO CG C 13 28.101 0.400 . 1 . . . . 70 PRO CG . 17246 1 539 . 1 1 53 53 ALA H H 1 8.774 0.020 . 1 . . . . 71 ALA H . 17246 1 540 . 1 1 53 53 ALA HA H 1 3.984 0.020 . 1 . . . . 71 ALA HA . 17246 1 541 . 1 1 53 53 ALA HB1 H 1 1.334 0.020 . 1 . . . . 71 ALA HB . 17246 1 542 . 1 1 53 53 ALA HB2 H 1 1.334 0.020 . 1 . . . . 71 ALA HB . 17246 1 543 . 1 1 53 53 ALA HB3 H 1 1.334 0.020 . 1 . . . . 71 ALA HB . 17246 1 544 . 1 1 53 53 ALA C C 13 177.754 0.400 . 1 . . . . 71 ALA C . 17246 1 545 . 1 1 53 53 ALA CA C 13 54.658 0.400 . 1 . . . . 71 ALA CA . 17246 1 546 . 1 1 53 53 ALA CB C 13 18.573 0.400 . 1 . . . . 71 ALA CB . 17246 1 547 . 1 1 53 53 ALA N N 15 124.723 0.400 . 1 . . . . 71 ALA N . 17246 1 548 . 1 1 54 54 ASN H H 1 8.300 0.020 . 1 . . . . 72 ASN H . 17246 1 549 . 1 1 54 54 ASN HA H 1 4.532 0.020 . 1 . . . . 72 ASN HA . 17246 1 550 . 1 1 54 54 ASN HB2 H 1 2.906 0.020 . 2 . . . . 72 ASN HB2 . 17246 1 551 . 1 1 54 54 ASN HB3 H 1 2.530 0.020 . 2 . . . . 72 ASN HB3 . 17246 1 552 . 1 1 54 54 ASN HD21 H 1 6.156 0.020 . 2 . . . . 72 ASN HD21 . 17246 1 553 . 1 1 54 54 ASN HD22 H 1 7.946 0.020 . 2 . . . . 72 ASN HD22 . 17246 1 554 . 1 1 54 54 ASN C C 13 173.569 0.400 . 1 . . . . 72 ASN C . 17246 1 555 . 1 1 54 54 ASN CA C 13 52.870 0.400 . 1 . . . . 72 ASN CA . 17246 1 556 . 1 1 54 54 ASN CB C 13 36.888 0.400 . 1 . . . . 72 ASN CB . 17246 1 557 . 1 1 54 54 ASN N N 15 112.434 0.400 . 1 . . . . 72 ASN N . 17246 1 558 . 1 1 54 54 ASN ND2 N 15 113.501 0.400 . 1 . . . . 72 ASN ND2 . 17246 1 559 . 1 1 55 55 ALA H H 1 7.703 0.020 . 1 . . . . 73 ALA H . 17246 1 560 . 1 1 55 55 ALA HA H 1 5.029 0.020 . 1 . . . . 73 ALA HA . 17246 1 561 . 1 1 55 55 ALA HB1 H 1 1.200 0.020 . 1 . . . . 73 ALA HB . 17246 1 562 . 1 1 55 55 ALA HB2 H 1 1.200 0.020 . 1 . . . . 73 ALA HB . 17246 1 563 . 1 1 55 55 ALA HB3 H 1 1.200 0.020 . 1 . . . . 73 ALA HB . 17246 1 564 . 1 1 55 55 ALA C C 13 176.265 0.400 . 1 . . . . 73 ALA C . 17246 1 565 . 1 1 55 55 ALA CA C 13 50.898 0.400 . 1 . . . . 73 ALA CA . 17246 1 566 . 1 1 55 55 ALA CB C 13 22.065 0.400 . 1 . . . . 73 ALA CB . 17246 1 567 . 1 1 55 55 ALA N N 15 121.321 0.400 . 1 . . . . 73 ALA N . 17246 1 568 . 1 1 56 56 LYS H H 1 8.706 0.020 . 1 . . . . 74 LYS H . 17246 1 569 . 1 1 56 56 LYS HA H 1 4.461 0.020 . 1 . . . . 74 LYS HA . 17246 1 570 . 1 1 56 56 LYS HB2 H 1 1.551 0.020 . 2 . . . . 74 LYS HB2 . 17246 1 571 . 1 1 56 56 LYS HB3 H 1 1.481 0.020 . 2 . . . . 74 LYS HB3 . 17246 1 572 . 1 1 56 56 LYS HD2 H 1 1.536 0.020 . 2 . . . . 74 LYS HD2 . 17246 1 573 . 1 1 56 56 LYS HD3 H 1 1.536 0.020 . 2 . . . . 74 LYS HD3 . 17246 1 574 . 1 1 56 56 LYS HE2 H 1 2.840 0.020 . 2 . . . . 74 LYS HE2 . 17246 1 575 . 1 1 56 56 LYS HE3 H 1 2.840 0.020 . 2 . . . . 74 LYS HE3 . 17246 1 576 . 1 1 56 56 LYS HG2 H 1 1.230 0.020 . 2 . . . . 74 LYS HG2 . 17246 1 577 . 1 1 56 56 LYS HG3 H 1 1.156 0.020 . 2 . . . . 74 LYS HG3 . 17246 1 578 . 1 1 56 56 LYS C C 13 174.172 0.400 . 1 . . . . 74 LYS C . 17246 1 579 . 1 1 56 56 LYS CA C 13 54.778 0.400 . 1 . . . . 74 LYS CA . 17246 1 580 . 1 1 56 56 LYS CB C 13 35.765 0.400 . 1 . . . . 74 LYS CB . 17246 1 581 . 1 1 56 56 LYS CD C 13 29.332 0.400 . 1 . . . . 74 LYS CD . 17246 1 582 . 1 1 56 56 LYS CE C 13 41.960 0.400 . 1 . . . . 74 LYS CE . 17246 1 583 . 1 1 56 56 LYS CG C 13 24.326 0.400 . 1 . . . . 74 LYS CG . 17246 1 584 . 1 1 56 56 LYS N N 15 120.909 0.400 . 1 . . . . 74 LYS N . 17246 1 585 . 1 1 57 57 GLU H H 1 8.799 0.020 . 1 . . . . 75 GLU H . 17246 1 586 . 1 1 57 57 GLU HA H 1 4.960 0.020 . 1 . . . . 75 GLU HA . 17246 1 587 . 1 1 57 57 GLU HB2 H 1 1.892 0.020 . 2 . . . . 75 GLU HB2 . 17246 1 588 . 1 1 57 57 GLU HB3 H 1 1.700 0.020 . 2 . . . . 75 GLU HB3 . 17246 1 589 . 1 1 57 57 GLU HG2 H 1 2.323 0.020 . 2 . . . . 75 GLU HG2 . 17246 1 590 . 1 1 57 57 GLU HG3 H 1 2.260 0.020 . 2 . . . . 75 GLU HG3 . 17246 1 591 . 1 1 57 57 GLU C C 13 177.190 0.400 . 1 . . . . 75 GLU C . 17246 1 592 . 1 1 57 57 GLU CA C 13 56.139 0.400 . 1 . . . . 75 GLU CA . 17246 1 593 . 1 1 57 57 GLU CB C 13 29.198 0.400 . 1 . . . . 75 GLU CB . 17246 1 594 . 1 1 57 57 GLU CG C 13 35.900 0.400 . 1 . . . . 75 GLU CG . 17246 1 595 . 1 1 57 57 GLU N N 15 126.106 0.400 . 1 . . . . 75 GLU N . 17246 1 596 . 1 1 58 58 ILE H H 1 8.278 0.020 . 1 . . . . 76 ILE H . 17246 1 597 . 1 1 58 58 ILE HA H 1 4.581 0.020 . 1 . . . . 76 ILE HA . 17246 1 598 . 1 1 58 58 ILE HB H 1 1.532 0.020 . 1 . . . . 76 ILE HB . 17246 1 599 . 1 1 58 58 ILE HD11 H 1 -0.022 0.020 . 1 . . . . 76 ILE HD1 . 17246 1 600 . 1 1 58 58 ILE HD12 H 1 -0.022 0.020 . 1 . . . . 76 ILE HD1 . 17246 1 601 . 1 1 58 58 ILE HD13 H 1 -0.022 0.020 . 1 . . . . 76 ILE HD1 . 17246 1 602 . 1 1 58 58 ILE HG12 H 1 0.902 0.020 . 2 . . . . 76 ILE HG12 . 17246 1 603 . 1 1 58 58 ILE HG13 H 1 0.902 0.020 . 2 . . . . 76 ILE HG13 . 17246 1 604 . 1 1 58 58 ILE HG21 H 1 0.794 0.020 . 1 . . . . 76 ILE HG2 . 17246 1 605 . 1 1 58 58 ILE HG22 H 1 0.794 0.020 . 1 . . . . 76 ILE HG2 . 17246 1 606 . 1 1 58 58 ILE HG23 H 1 0.794 0.020 . 1 . . . . 76 ILE HG2 . 17246 1 607 . 1 1 58 58 ILE C C 13 175.701 0.400 . 1 . . . . 76 ILE C . 17246 1 608 . 1 1 58 58 ILE CA C 13 59.219 0.400 . 1 . . . . 76 ILE CA . 17246 1 609 . 1 1 58 58 ILE CB C 13 39.894 0.400 . 1 . . . . 76 ILE CB . 17246 1 610 . 1 1 58 58 ILE CD1 C 13 11.863 0.400 . 1 . . . . 76 ILE CD1 . 17246 1 611 . 1 1 58 58 ILE CG1 C 13 25.382 0.400 . 1 . . . . 76 ILE CG1 . 17246 1 612 . 1 1 58 58 ILE CG2 C 13 18.117 0.400 . 1 . . . . 76 ILE CG2 . 17246 1 613 . 1 1 59 59 ALA H H 1 8.580 0.020 . 1 . . . . 77 ALA H . 17246 1 614 . 1 1 59 59 ALA HA H 1 4.236 0.020 . 1 . . . . 77 ALA HA . 17246 1 615 . 1 1 59 59 ALA HB1 H 1 1.146 0.020 . 1 . . . . 77 ALA HB . 17246 1 616 . 1 1 59 59 ALA HB2 H 1 1.146 0.020 . 1 . . . . 77 ALA HB . 17246 1 617 . 1 1 59 59 ALA HB3 H 1 1.146 0.020 . 1 . . . . 77 ALA HB . 17246 1 618 . 1 1 59 59 ALA C C 13 177.230 0.400 . 1 . . . . 77 ALA C . 17246 1 619 . 1 1 59 59 ALA CA C 13 50.987 0.400 . 1 . . . . 77 ALA CA . 17246 1 620 . 1 1 59 59 ALA CB C 13 20.454 0.400 . 1 . . . . 77 ALA CB . 17246 1 621 . 1 1 59 59 ALA N N 15 129.422 0.400 . 1 . . . . 77 ALA N . 17246 1 622 . 1 1 60 60 GLY H H 1 9.021 0.020 . 1 . . . . 78 GLY H . 17246 1 623 . 1 1 60 60 GLY HA2 H 1 4.258 0.020 . 2 . . . . 78 GLY HA2 . 17246 1 624 . 1 1 60 60 GLY HA3 H 1 3.511 0.020 . 2 . . . . 78 GLY HA3 . 17246 1 625 . 1 1 60 60 GLY C C 13 174.816 0.400 . 1 . . . . 78 GLY C . 17246 1 626 . 1 1 60 60 GLY CA C 13 46.039 0.400 . 1 . . . . 78 GLY CA . 17246 1 627 . 1 1 60 60 GLY N N 15 107.239 0.400 . 1 . . . . 78 GLY N . 17246 1 628 . 1 1 61 61 VAL H H 1 8.321 0.020 . 1 . . . . 79 VAL H . 17246 1 629 . 1 1 61 61 VAL HA H 1 4.129 0.020 . 1 . . . . 79 VAL HA . 17246 1 630 . 1 1 61 61 VAL HB H 1 1.872 0.020 . 1 . . . . 79 VAL HB . 17246 1 631 . 1 1 61 61 VAL HG11 H 1 0.551 0.020 . 2 . . . . 79 VAL HG1 . 17246 1 632 . 1 1 61 61 VAL HG12 H 1 0.551 0.020 . 2 . . . . 79 VAL HG1 . 17246 1 633 . 1 1 61 61 VAL HG13 H 1 0.551 0.020 . 2 . . . . 79 VAL HG1 . 17246 1 634 . 1 1 61 61 VAL HG21 H 1 0.420 0.020 . 2 . . . . 79 VAL HG2 . 17246 1 635 . 1 1 61 61 VAL HG22 H 1 0.420 0.020 . 2 . . . . 79 VAL HG2 . 17246 1 636 . 1 1 61 61 VAL HG23 H 1 0.420 0.020 . 2 . . . . 79 VAL HG2 . 17246 1 637 . 1 1 61 61 VAL C C 13 174.857 0.400 . 1 . . . . 79 VAL C . 17246 1 638 . 1 1 61 61 VAL CA C 13 62.090 0.400 . 1 . . . . 79 VAL CA . 17246 1 639 . 1 1 61 61 VAL CB C 13 31.923 0.400 . 1 . . . . 79 VAL CB . 17246 1 640 . 1 1 61 61 VAL CG1 C 13 22.785 0.400 . 1 . . . . 79 VAL CG1 . 17246 1 641 . 1 1 61 61 VAL CG2 C 13 22.029 0.400 . 1 . . . . 79 VAL CG2 . 17246 1 642 . 1 1 61 61 VAL N N 15 122.508 0.400 . 1 . . . . 79 VAL N . 17246 1 643 . 1 1 62 62 MET H H 1 8.495 0.020 . 1 . . . . 80 MET H . 17246 1 644 . 1 1 62 62 MET HA H 1 4.677 0.020 . 1 . . . . 80 MET HA . 17246 1 645 . 1 1 62 62 MET HB2 H 1 1.600 0.020 . 2 . . . . 80 MET HB2 . 17246 1 646 . 1 1 62 62 MET HB3 H 1 1.600 0.020 . 2 . . . . 80 MET HB3 . 17246 1 647 . 1 1 62 62 MET HE1 H 1 1.976 0.020 . 1 . . . . 80 MET HE . 17246 1 648 . 1 1 62 62 MET HE2 H 1 1.976 0.020 . 1 . . . . 80 MET HE . 17246 1 649 . 1 1 62 62 MET HE3 H 1 1.976 0.020 . 1 . . . . 80 MET HE . 17246 1 650 . 1 1 62 62 MET HG2 H 1 2.230 0.020 . 2 . . . . 80 MET HG2 . 17246 1 651 . 1 1 62 62 MET HG3 H 1 1.963 0.020 . 2 . . . . 80 MET HG3 . 17246 1 652 . 1 1 62 62 MET C C 13 173.569 0.400 . 1 . . . . 80 MET C . 17246 1 653 . 1 1 62 62 MET CA C 13 55.190 0.400 . 1 . . . . 80 MET CA . 17246 1 654 . 1 1 62 62 MET CB C 13 31.372 0.400 . 1 . . . . 80 MET CB . 17246 1 655 . 1 1 62 62 MET CE C 13 17.265 0.400 . 1 . . . . 80 MET CE . 17246 1 656 . 1 1 62 62 MET CG C 13 31.597 0.400 . 1 . . . . 80 MET CG . 17246 1 657 . 1 1 62 62 MET N N 15 128.894 0.400 . 1 . . . . 80 MET N . 17246 1 658 . 1 1 63 63 PHE H H 1 8.527 0.020 . 1 . . . . 81 PHE H . 17246 1 659 . 1 1 63 63 PHE HA H 1 5.741 0.020 . 1 . . . . 81 PHE HA . 17246 1 660 . 1 1 63 63 PHE HB2 H 1 2.756 0.020 . 2 . . . . 81 PHE HB2 . 17246 1 661 . 1 1 63 63 PHE HB3 H 1 2.756 0.020 . 2 . . . . 81 PHE HB3 . 17246 1 662 . 1 1 63 63 PHE HD1 H 1 6.967 0.020 . 1 . . . . 81 PHE HD1 . 17246 1 663 . 1 1 63 63 PHE HD2 H 1 6.967 0.020 . 1 . . . . 81 PHE HD2 . 17246 1 664 . 1 1 63 63 PHE HE1 H 1 7.058 0.020 . 1 . . . . 81 PHE HE1 . 17246 1 665 . 1 1 63 63 PHE HE2 H 1 7.058 0.020 . 1 . . . . 81 PHE HE2 . 17246 1 666 . 1 1 63 63 PHE C C 13 175.098 0.400 . 1 . . . . 81 PHE C . 17246 1 667 . 1 1 63 63 PHE CA C 13 56.986 0.400 . 1 . . . . 81 PHE CA . 17246 1 668 . 1 1 63 63 PHE CB C 13 43.018 0.400 . 1 . . . . 81 PHE CB . 17246 1 669 . 1 1 63 63 PHE N N 15 126.515 0.400 . 1 . . . . 81 PHE N . 17246 1 670 . 1 1 64 64 VAL H H 1 9.190 0.020 . 1 . . . . 82 VAL H . 17246 1 671 . 1 1 64 64 VAL HA H 1 5.365 0.020 . 1 . . . . 82 VAL HA . 17246 1 672 . 1 1 64 64 VAL HB H 1 1.724 0.020 . 1 . . . . 82 VAL HB . 17246 1 673 . 1 1 64 64 VAL HG11 H 1 0.991 0.020 . 2 . . . . 82 VAL HG1 . 17246 1 674 . 1 1 64 64 VAL HG12 H 1 0.991 0.020 . 2 . . . . 82 VAL HG1 . 17246 1 675 . 1 1 64 64 VAL HG13 H 1 0.991 0.020 . 2 . . . . 82 VAL HG1 . 17246 1 676 . 1 1 64 64 VAL HG21 H 1 0.862 0.020 . 2 . . . . 82 VAL HG2 . 17246 1 677 . 1 1 64 64 VAL HG22 H 1 0.862 0.020 . 2 . . . . 82 VAL HG2 . 17246 1 678 . 1 1 64 64 VAL HG23 H 1 0.862 0.020 . 2 . . . . 82 VAL HG2 . 17246 1 679 . 1 1 64 64 VAL C C 13 172.764 0.400 . 1 . . . . 82 VAL C . 17246 1 680 . 1 1 64 64 VAL CA C 13 59.941 0.400 . 1 . . . . 82 VAL CA . 17246 1 681 . 1 1 64 64 VAL CB C 13 35.944 0.400 . 1 . . . . 82 VAL CB . 17246 1 682 . 1 1 64 64 VAL CG1 C 13 22.785 0.400 . 1 . . . . 82 VAL CG1 . 17246 1 683 . 1 1 64 64 VAL CG2 C 13 21.525 0.400 . 1 . . . . 82 VAL CG2 . 17246 1 684 . 1 1 64 64 VAL N N 15 119.831 0.400 . 1 . . . . 82 VAL N . 17246 1 685 . 1 1 65 65 TRP H H 1 8.340 0.020 . 1 . . . . 83 TRP H . 17246 1 686 . 1 1 65 65 TRP HA H 1 5.338 0.020 . 1 . . . . 83 TRP HA . 17246 1 687 . 1 1 65 65 TRP HB2 H 1 2.989 0.020 . 2 . . . . 83 TRP HB2 . 17246 1 688 . 1 1 65 65 TRP HB3 H 1 2.850 0.020 . 2 . . . . 83 TRP HB3 . 17246 1 689 . 1 1 65 65 TRP HD1 H 1 6.290 0.020 . 1 . . . . 83 TRP HD1 . 17246 1 690 . 1 1 65 65 TRP HE1 H 1 5.029 0.020 . 1 . . . . 83 TRP HE1 . 17246 1 691 . 1 1 65 65 TRP HE3 H 1 6.830 0.020 . 1 . . . . 83 TRP HE3 . 17246 1 692 . 1 1 65 65 TRP HH2 H 1 6.380 0.020 . 1 . . . . 83 TRP HH2 . 17246 1 693 . 1 1 65 65 TRP HZ2 H 1 6.170 0.020 . 1 . . . . 83 TRP HZ2 . 17246 1 694 . 1 1 65 65 TRP HZ3 H 1 6.087 0.020 . 1 . . . . 83 TRP HZ3 . 17246 1 695 . 1 1 65 65 TRP C C 13 175.782 0.400 . 1 . . . . 83 TRP C . 17246 1 696 . 1 1 65 65 TRP CA C 13 57.524 0.400 . 1 . . . . 83 TRP CA . 17246 1 697 . 1 1 65 65 TRP CB C 13 30.184 0.400 . 1 . . . . 83 TRP CB . 17246 1 698 . 1 1 65 65 TRP N N 15 128.577 0.400 . 1 . . . . 83 TRP N . 17246 1 699 . 1 1 65 65 TRP NE1 N 15 120.189 0.400 . 1 . . . . 83 TRP NE1 . 17246 1 700 . 1 1 66 66 THR H H 1 9.447 0.020 . 1 . . . . 84 THR H . 17246 1 701 . 1 1 66 66 THR HA H 1 5.261 0.020 . 1 . . . . 84 THR HA . 17246 1 702 . 1 1 66 66 THR HB H 1 4.036 0.020 . 1 . . . . 84 THR HB . 17246 1 703 . 1 1 66 66 THR HG21 H 1 0.819 0.020 . 1 . . . . 84 THR HG2 . 17246 1 704 . 1 1 66 66 THR HG22 H 1 0.819 0.020 . 1 . . . . 84 THR HG2 . 17246 1 705 . 1 1 66 66 THR HG23 H 1 0.819 0.020 . 1 . . . . 84 THR HG2 . 17246 1 706 . 1 1 66 66 THR C C 13 175.420 0.400 . 1 . . . . 84 THR C . 17246 1 707 . 1 1 66 66 THR CA C 13 60.089 0.400 . 1 . . . . 84 THR CA . 17246 1 708 . 1 1 66 66 THR CB C 13 72.860 0.400 . 1 . . . . 84 THR CB . 17246 1 709 . 1 1 66 66 THR CG2 C 13 20.938 0.400 . 1 . . . . 84 THR CG2 . 17246 1 710 . 1 1 66 66 THR N N 15 108.042 0.400 . 1 . . . . 84 THR N . 17246 1 711 . 1 1 67 67 ASN H H 1 8.293 0.020 . 1 . . . . 85 ASN H . 17246 1 712 . 1 1 67 67 ASN HA H 1 5.089 0.020 . 1 . . . . 85 ASN HA . 17246 1 713 . 1 1 67 67 ASN HB2 H 1 3.787 0.020 . 2 . . . . 85 ASN HB2 . 17246 1 714 . 1 1 67 67 ASN HB3 H 1 2.926 0.020 . 2 . . . . 85 ASN HB3 . 17246 1 715 . 1 1 67 67 ASN HD21 H 1 6.630 0.020 . 2 . . . . 85 ASN HD21 . 17246 1 716 . 1 1 67 67 ASN HD22 H 1 7.283 0.020 . 2 . . . . 85 ASN HD22 . 17246 1 717 . 1 1 67 67 ASN C C 13 178.880 0.400 . 1 . . . . 85 ASN C . 17246 1 718 . 1 1 67 67 ASN CA C 13 51.524 0.400 . 1 . . . . 85 ASN CA . 17246 1 719 . 1 1 67 67 ASN CB C 13 38.541 0.400 . 1 . . . . 85 ASN CB . 17246 1 720 . 1 1 67 67 ASN N N 15 115.184 0.400 . 1 . . . . 85 ASN N . 17246 1 721 . 1 1 67 67 ASN ND2 N 15 111.965 0.400 . 1 . . . . 85 ASN ND2 . 17246 1 722 . 1 1 68 68 THR H H 1 8.225 0.020 . 1 . . . . 86 THR H . 17246 1 723 . 1 1 68 68 THR HA H 1 3.773 0.020 . 1 . . . . 86 THR HA . 17246 1 724 . 1 1 68 68 THR HB H 1 4.191 0.020 . 1 . . . . 86 THR HB . 17246 1 725 . 1 1 68 68 THR HG21 H 1 1.034 0.020 . 1 . . . . 86 THR HG2 . 17246 1 726 . 1 1 68 68 THR HG22 H 1 1.034 0.020 . 1 . . . . 86 THR HG2 . 17246 1 727 . 1 1 68 68 THR HG23 H 1 1.034 0.020 . 1 . . . . 86 THR HG2 . 17246 1 728 . 1 1 68 68 THR C C 13 173.931 0.400 . 1 . . . . 86 THR C . 17246 1 729 . 1 1 68 68 THR CA C 13 65.045 0.400 . 1 . . . . 86 THR CA . 17246 1 730 . 1 1 68 68 THR CB C 13 68.269 0.400 . 1 . . . . 86 THR CB . 17246 1 731 . 1 1 68 68 THR CG2 C 13 22.197 0.400 . 1 . . . . 86 THR CG2 . 17246 1 732 . 1 1 68 68 THR N N 15 110.554 0.400 . 1 . . . . 86 THR N . 17246 1 733 . 1 1 69 69 ASN H H 1 7.372 0.020 . 1 . . . . 87 ASN H . 17246 1 734 . 1 1 69 69 ASN HA H 1 4.776 0.020 . 1 . . . . 87 ASN HA . 17246 1 735 . 1 1 69 69 ASN HB2 H 1 3.000 0.020 . 2 . . . . 87 ASN HB2 . 17246 1 736 . 1 1 69 69 ASN HB3 H 1 2.530 0.020 . 2 . . . . 87 ASN HB3 . 17246 1 737 . 1 1 69 69 ASN HD21 H 1 7.556 0.020 . 2 . . . . 87 ASN HD21 . 17246 1 738 . 1 1 69 69 ASN HD22 H 1 6.855 0.020 . 2 . . . . 87 ASN HD22 . 17246 1 739 . 1 1 69 69 ASN C C 13 174.172 0.400 . 1 . . . . 87 ASN C . 17246 1 740 . 1 1 69 69 ASN CA C 13 52.688 0.400 . 1 . . . . 87 ASN CA . 17246 1 741 . 1 1 69 69 ASN CB C 13 38.810 0.400 . 1 . . . . 87 ASN CB . 17246 1 742 . 1 1 69 69 ASN N N 15 118.278 0.400 . 1 . . . . 87 ASN N . 17246 1 743 . 1 1 69 69 ASN ND2 N 15 113.185 0.400 . 1 . . . . 87 ASN ND2 . 17246 1 744 . 1 1 70 70 ASN H H 1 7.731 0.020 . 1 . . . . 88 ASN H . 17246 1 745 . 1 1 70 70 ASN HA H 1 4.441 0.020 . 1 . . . . 88 ASN HA . 17246 1 746 . 1 1 70 70 ASN HB2 H 1 3.387 0.020 . 2 . . . . 88 ASN HB2 . 17246 1 747 . 1 1 70 70 ASN HB3 H 1 3.282 0.020 . 2 . . . . 88 ASN HB3 . 17246 1 748 . 1 1 70 70 ASN HD21 H 1 7.800 0.020 . 2 . . . . 88 ASN HD21 . 17246 1 749 . 1 1 70 70 ASN HD22 H 1 7.700 0.020 . 2 . . . . 88 ASN HD22 . 17246 1 750 . 1 1 70 70 ASN C C 13 172.483 0.400 . 1 . . . . 88 ASN C . 17246 1 751 . 1 1 70 70 ASN CA C 13 55.172 0.400 . 1 . . . . 88 ASN CA . 17246 1 752 . 1 1 70 70 ASN CB C 13 37.689 0.400 . 1 . . . . 88 ASN CB . 17246 1 753 . 1 1 70 70 ASN N N 15 109.781 0.400 . 1 . . . . 88 ASN N . 17246 1 754 . 1 1 70 70 ASN ND2 N 15 120.278 0.400 . 1 . . . . 88 ASN ND2 . 17246 1 755 . 1 1 71 71 GLU H H 1 7.931 0.020 . 1 . . . . 89 GLU H . 17246 1 756 . 1 1 71 71 GLU HA H 1 4.489 0.020 . 1 . . . . 89 GLU HA . 17246 1 757 . 1 1 71 71 GLU HB2 H 1 1.863 0.020 . 2 . . . . 89 GLU HB2 . 17246 1 758 . 1 1 71 71 GLU HB3 H 1 1.863 0.020 . 2 . . . . 89 GLU HB3 . 17246 1 759 . 1 1 71 71 GLU HG2 H 1 2.187 0.020 . 2 . . . . 89 GLU HG2 . 17246 1 760 . 1 1 71 71 GLU HG3 H 1 2.187 0.020 . 2 . . . . 89 GLU HG3 . 17246 1 761 . 1 1 71 71 GLU C C 13 175.058 0.400 . 1 . . . . 89 GLU C . 17246 1 762 . 1 1 71 71 GLU CA C 13 55.438 0.400 . 1 . . . . 89 GLU CA . 17246 1 763 . 1 1 71 71 GLU CB C 13 30.572 0.400 . 1 . . . . 89 GLU CB . 17246 1 764 . 1 1 71 71 GLU CG C 13 36.756 0.400 . 1 . . . . 89 GLU CG . 17246 1 765 . 1 1 71 71 GLU N N 15 119.271 0.400 . 1 . . . . 89 GLU N . 17246 1 766 . 1 1 72 72 ILE H H 1 8.605 0.020 . 1 . . . . 90 ILE H . 17246 1 767 . 1 1 72 72 ILE HA H 1 4.125 0.020 . 1 . . . . 90 ILE HA . 17246 1 768 . 1 1 72 72 ILE HB H 1 1.472 0.020 . 1 . . . . 90 ILE HB . 17246 1 769 . 1 1 72 72 ILE HD11 H 1 0.616 0.020 . 1 . . . . 90 ILE HD1 . 17246 1 770 . 1 1 72 72 ILE HD12 H 1 0.616 0.020 . 1 . . . . 90 ILE HD1 . 17246 1 771 . 1 1 72 72 ILE HD13 H 1 0.616 0.020 . 1 . . . . 90 ILE HD1 . 17246 1 772 . 1 1 72 72 ILE HG12 H 1 0.798 0.020 . 2 . . . . 90 ILE HG12 . 17246 1 773 . 1 1 72 72 ILE HG13 H 1 1.545 0.020 . 2 . . . . 90 ILE HG13 . 17246 1 774 . 1 1 72 72 ILE HG21 H 1 0.964 0.020 . 1 . . . . 90 ILE HG2 . 17246 1 775 . 1 1 72 72 ILE HG22 H 1 0.964 0.020 . 1 . . . . 90 ILE HG2 . 17246 1 776 . 1 1 72 72 ILE HG23 H 1 0.964 0.020 . 1 . . . . 90 ILE HG2 . 17246 1 777 . 1 1 72 72 ILE C C 13 174.615 0.400 . 1 . . . . 90 ILE C . 17246 1 778 . 1 1 72 72 ILE CA C 13 63.881 0.400 . 1 . . . . 90 ILE CA . 17246 1 779 . 1 1 72 72 ILE CB C 13 38.541 0.400 . 1 . . . . 90 ILE CB . 17246 1 780 . 1 1 72 72 ILE CD1 C 13 13.887 0.400 . 1 . . . . 90 ILE CD1 . 17246 1 781 . 1 1 72 72 ILE CG1 C 13 29.223 0.400 . 1 . . . . 90 ILE CG1 . 17246 1 782 . 1 1 72 72 ILE CG2 C 13 18.084 0.400 . 1 . . . . 90 ILE CG2 . 17246 1 783 . 1 1 72 72 ILE N N 15 125.490 0.400 . 1 . . . . 90 ILE N . 17246 1 784 . 1 1 73 73 ILE H H 1 7.195 0.020 . 1 . . . . 91 ILE H . 17246 1 785 . 1 1 73 73 ILE HA H 1 5.435 0.020 . 1 . . . . 91 ILE HA . 17246 1 786 . 1 1 73 73 ILE HB H 1 1.834 0.020 . 1 . . . . 91 ILE HB . 17246 1 787 . 1 1 73 73 ILE HD11 H 1 0.919 0.020 . 1 . . . . 91 ILE HD1 . 17246 1 788 . 1 1 73 73 ILE HD12 H 1 0.919 0.020 . 1 . . . . 91 ILE HD1 . 17246 1 789 . 1 1 73 73 ILE HD13 H 1 0.919 0.020 . 1 . . . . 91 ILE HD1 . 17246 1 790 . 1 1 73 73 ILE HG12 H 1 1.321 0.020 . 2 . . . . 91 ILE HG12 . 17246 1 791 . 1 1 73 73 ILE HG13 H 1 0.669 0.020 . 2 . . . . 91 ILE HG13 . 17246 1 792 . 1 1 73 73 ILE HG21 H 1 0.858 0.020 . 1 . . . . 91 ILE HG2 . 17246 1 793 . 1 1 73 73 ILE HG22 H 1 0.858 0.020 . 1 . . . . 91 ILE HG2 . 17246 1 794 . 1 1 73 73 ILE HG23 H 1 0.858 0.020 . 1 . . . . 91 ILE HG2 . 17246 1 795 . 1 1 73 73 ILE C C 13 175.943 0.400 . 1 . . . . 91 ILE C . 17246 1 796 . 1 1 73 73 ILE CA C 13 58.649 0.400 . 1 . . . . 91 ILE CA . 17246 1 797 . 1 1 73 73 ILE CB C 13 43.018 0.400 . 1 . . . . 91 ILE CB . 17246 1 798 . 1 1 73 73 ILE CD1 C 13 16.191 0.400 . 1 . . . . 91 ILE CD1 . 17246 1 799 . 1 1 73 73 ILE CG1 C 13 25.297 0.400 . 1 . . . . 91 ILE CG1 . 17246 1 800 . 1 1 73 73 ILE CG2 C 13 17.580 0.400 . 1 . . . . 91 ILE CG2 . 17246 1 801 . 1 1 73 73 ILE N N 15 118.256 0.400 . 1 . . . . 91 ILE N . 17246 1 802 . 1 1 74 74 ASP H H 1 7.937 0.020 . 1 . . . . 92 ASP H . 17246 1 803 . 1 1 74 74 ASP HA H 1 4.790 0.020 . 1 . . . . 92 ASP HA . 17246 1 804 . 1 1 74 74 ASP HB2 H 1 3.218 0.020 . 2 . . . . 92 ASP HB2 . 17246 1 805 . 1 1 74 74 ASP HB3 H 1 2.604 0.020 . 2 . . . . 92 ASP HB3 . 17246 1 806 . 1 1 74 74 ASP C C 13 178.035 0.400 . 1 . . . . 92 ASP C . 17246 1 807 . 1 1 74 74 ASP CA C 13 52.241 0.400 . 1 . . . . 92 ASP CA . 17246 1 808 . 1 1 74 74 ASP CB C 13 42.902 0.400 . 1 . . . . 92 ASP CB . 17246 1 809 . 1 1 74 74 ASP N N 15 117.668 0.400 . 1 . . . . 92 ASP N . 17246 1 810 . 1 1 75 75 GLU H H 1 8.224 0.020 . 1 . . . . 93 GLU H . 17246 1 811 . 1 1 75 75 GLU HA H 1 4.453 0.020 . 1 . . . . 93 GLU HA . 17246 1 812 . 1 1 75 75 GLU HB2 H 1 1.903 0.020 . 2 . . . . 93 GLU HB2 . 17246 1 813 . 1 1 75 75 GLU HB3 H 1 1.834 0.020 . 2 . . . . 93 GLU HB3 . 17246 1 814 . 1 1 75 75 GLU HG2 H 1 2.216 0.020 . 2 . . . . 93 GLU HG2 . 17246 1 815 . 1 1 75 75 GLU HG3 H 1 2.040 0.020 . 2 . . . . 93 GLU HG3 . 17246 1 816 . 1 1 75 75 GLU C C 13 175.460 0.400 . 1 . . . . 93 GLU C . 17246 1 817 . 1 1 75 75 GLU CA C 13 57.640 0.400 . 1 . . . . 93 GLU CA . 17246 1 818 . 1 1 75 75 GLU CB C 13 29.377 0.400 . 1 . . . . 93 GLU CB . 17246 1 819 . 1 1 75 75 GLU CG C 13 36.083 0.400 . 1 . . . . 93 GLU CG . 17246 1 820 . 1 1 75 75 GLU N N 15 114.039 0.400 . 1 . . . . 93 GLU N . 17246 1 821 . 1 1 76 76 ASN H H 1 8.040 0.020 . 1 . . . . 94 ASN H . 17246 1 822 . 1 1 76 76 ASN HA H 1 4.800 0.020 . 1 . . . . 94 ASN HA . 17246 1 823 . 1 1 76 76 ASN HB2 H 1 2.829 0.020 . 2 . . . . 94 ASN HB2 . 17246 1 824 . 1 1 76 76 ASN HB3 H 1 2.640 0.020 . 2 . . . . 94 ASN HB3 . 17246 1 825 . 1 1 76 76 ASN HD21 H 1 6.734 0.020 . 2 . . . . 94 ASN HD21 . 17246 1 826 . 1 1 76 76 ASN HD22 H 1 7.588 0.020 . 2 . . . . 94 ASN HD22 . 17246 1 827 . 1 1 76 76 ASN C C 13 176.345 0.400 . 1 . . . . 94 ASN C . 17246 1 828 . 1 1 76 76 ASN CA C 13 52.833 0.400 . 1 . . . . 94 ASN CA . 17246 1 829 . 1 1 76 76 ASN CB C 13 39.633 0.400 . 1 . . . . 94 ASN CB . 17246 1 830 . 1 1 76 76 ASN N N 15 115.052 0.400 . 1 . . . . 94 ASN N . 17246 1 831 . 1 1 76 76 ASN ND2 N 15 113.946 0.400 . 1 . . . . 94 ASN ND2 . 17246 1 832 . 1 1 77 77 GLY H H 1 8.408 0.020 . 1 . . . . 95 GLY H . 17246 1 833 . 1 1 77 77 GLY HA2 H 1 4.004 0.020 . 2 . . . . 95 GLY HA2 . 17246 1 834 . 1 1 77 77 GLY HA3 H 1 3.517 0.020 . 2 . . . . 95 GLY HA3 . 17246 1 835 . 1 1 77 77 GLY C C 13 173.488 0.400 . 1 . . . . 95 GLY C . 17246 1 836 . 1 1 77 77 GLY CA C 13 45.704 0.400 . 1 . . . . 95 GLY CA . 17246 1 837 . 1 1 77 77 GLY N N 15 110.059 0.400 . 1 . . . . 95 GLY N . 17246 1 838 . 1 1 78 78 GLN H H 1 8.478 0.020 . 1 . . . . 96 GLN H . 17246 1 839 . 1 1 78 78 GLN HA H 1 4.320 0.020 . 1 . . . . 96 GLN HA . 17246 1 840 . 1 1 78 78 GLN HB2 H 1 2.069 0.020 . 2 . . . . 96 GLN HB2 . 17246 1 841 . 1 1 78 78 GLN HB3 H 1 2.069 0.020 . 2 . . . . 96 GLN HB3 . 17246 1 842 . 1 1 78 78 GLN HE21 H 1 6.880 0.020 . 2 . . . . 96 GLN HE21 . 17246 1 843 . 1 1 78 78 GLN HE22 H 1 7.605 0.020 . 2 . . . . 96 GLN HE22 . 17246 1 844 . 1 1 78 78 GLN HG2 H 1 2.288 0.020 . 2 . . . . 96 GLN HG2 . 17246 1 845 . 1 1 78 78 GLN HG3 H 1 2.170 0.020 . 2 . . . . 96 GLN HG3 . 17246 1 846 . 1 1 78 78 GLN C C 13 175.903 0.400 . 1 . . . . 96 GLN C . 17246 1 847 . 1 1 78 78 GLN CA C 13 54.934 0.400 . 1 . . . . 96 GLN CA . 17246 1 848 . 1 1 78 78 GLN CB C 13 28.781 0.400 . 1 . . . . 96 GLN CB . 17246 1 849 . 1 1 78 78 GLN CG C 13 34.117 0.400 . 1 . . . . 96 GLN CG . 17246 1 850 . 1 1 78 78 GLN N N 15 121.989 0.400 . 1 . . . . 96 GLN N . 17246 1 851 . 1 1 78 78 GLN NE2 N 15 113.504 0.400 . 1 . . . . 96 GLN NE2 . 17246 1 852 . 1 1 79 79 THR H H 1 8.128 0.020 . 1 . . . . 97 THR H . 17246 1 853 . 1 1 79 79 THR HA H 1 4.468 0.020 . 1 . . . . 97 THR HA . 17246 1 854 . 1 1 79 79 THR HB H 1 4.351 0.020 . 1 . . . . 97 THR HB . 17246 1 855 . 1 1 79 79 THR HG21 H 1 1.140 0.020 . 1 . . . . 97 THR HG2 . 17246 1 856 . 1 1 79 79 THR HG22 H 1 1.140 0.020 . 1 . . . . 97 THR HG2 . 17246 1 857 . 1 1 79 79 THR HG23 H 1 1.140 0.020 . 1 . . . . 97 THR HG2 . 17246 1 858 . 1 1 79 79 THR C C 13 177.391 0.400 . 1 . . . . 97 THR C . 17246 1 859 . 1 1 79 79 THR CA C 13 61.463 0.400 . 1 . . . . 97 THR CA . 17246 1 860 . 1 1 79 79 THR CB C 13 68.806 0.400 . 1 . . . . 97 THR CB . 17246 1 861 . 1 1 79 79 THR CG2 C 13 23.374 0.400 . 1 . . . . 97 THR CG2 . 17246 1 862 . 1 1 79 79 THR N N 15 112.961 0.400 . 1 . . . . 97 THR N . 17246 1 863 . 1 1 80 80 LEU H H 1 8.188 0.020 . 1 . . . . 98 LEU H . 17246 1 864 . 1 1 80 80 LEU HA H 1 4.527 0.020 . 1 . . . . 98 LEU HA . 17246 1 865 . 1 1 80 80 LEU HB2 H 1 1.613 0.020 . 2 . . . . 98 LEU HB2 . 17246 1 866 . 1 1 80 80 LEU HB3 H 1 1.173 0.020 . 2 . . . . 98 LEU HB3 . 17246 1 867 . 1 1 80 80 LEU HD11 H 1 1.658 0.020 . 2 . . . . 98 LEU HD1 . 17246 1 868 . 1 1 80 80 LEU HD12 H 1 1.658 0.020 . 2 . . . . 98 LEU HD1 . 17246 1 869 . 1 1 80 80 LEU HD13 H 1 1.658 0.020 . 2 . . . . 98 LEU HD1 . 17246 1 870 . 1 1 80 80 LEU HD21 H 1 0.588 0.020 . 2 . . . . 98 LEU HD2 . 17246 1 871 . 1 1 80 80 LEU HD22 H 1 0.588 0.020 . 2 . . . . 98 LEU HD2 . 17246 1 872 . 1 1 80 80 LEU HD23 H 1 0.588 0.020 . 2 . . . . 98 LEU HD2 . 17246 1 873 . 1 1 80 80 LEU HG H 1 0.526 0.020 . 1 . . . . 98 LEU HG . 17246 1 874 . 1 1 80 80 LEU C C 13 178.438 0.400 . 1 . . . . 98 LEU C . 17246 1 875 . 1 1 80 80 LEU CA C 13 54.599 0.400 . 1 . . . . 98 LEU CA . 17246 1 876 . 1 1 80 80 LEU CB C 13 43.814 0.400 . 1 . . . . 98 LEU CB . 17246 1 877 . 1 1 80 80 LEU CD1 C 13 25.937 0.400 . 1 . . . . 98 LEU CD1 . 17246 1 878 . 1 1 80 80 LEU CD2 C 13 21.713 0.400 . 1 . . . . 98 LEU CD2 . 17246 1 879 . 1 1 80 80 LEU CG C 13 26.186 0.400 . 1 . . . . 98 LEU CG . 17246 1 880 . 1 1 80 80 LEU N N 15 118.350 0.400 . 1 . . . . 98 LEU N . 17246 1 881 . 1 1 81 81 GLY H H 1 8.857 0.020 . 1 . . . . 99 GLY H . 17246 1 882 . 1 1 81 81 GLY HA2 H 1 3.981 0.020 . 2 . . . . 99 GLY HA2 . 17246 1 883 . 1 1 81 81 GLY HA3 H 1 3.672 0.020 . 2 . . . . 99 GLY HA3 . 17246 1 884 . 1 1 81 81 GLY C C 13 173.488 0.400 . 1 . . . . 99 GLY C . 17246 1 885 . 1 1 81 81 GLY CA C 13 46.600 0.400 . 1 . . . . 99 GLY CA . 17246 1 886 . 1 1 81 81 GLY N N 15 109.079 0.400 . 1 . . . . 99 GLY N . 17246 1 887 . 1 1 82 82 VAL H H 1 6.784 0.020 . 1 . . . . 10 VAL H . 17246 1 888 . 1 1 82 82 VAL HA H 1 3.843 0.020 . 1 . . . . 10 VAL HA . 17246 1 889 . 1 1 82 82 VAL HB H 1 1.296 0.020 . 1 . . . . 10 VAL HB . 17246 1 890 . 1 1 82 82 VAL HG11 H 1 0.831 0.020 . 2 . . . . 10 VAL HG1 . 17246 1 891 . 1 1 82 82 VAL HG12 H 1 0.831 0.020 . 2 . . . . 10 VAL HG1 . 17246 1 892 . 1 1 82 82 VAL HG13 H 1 0.831 0.020 . 2 . . . . 10 VAL HG1 . 17246 1 893 . 1 1 82 82 VAL HG21 H 1 0.831 0.020 . 2 . . . . 10 VAL HG2 . 17246 1 894 . 1 1 82 82 VAL HG22 H 1 0.831 0.020 . 2 . . . . 10 VAL HG2 . 17246 1 895 . 1 1 82 82 VAL HG23 H 1 0.831 0.020 . 2 . . . . 10 VAL HG2 . 17246 1 896 . 1 1 82 82 VAL C C 13 172.523 0.400 . 1 . . . . 10 VAL C . 17246 1 897 . 1 1 82 82 VAL CA C 13 61.263 0.400 . 1 . . . . 10 VAL CA . 17246 1 898 . 1 1 82 82 VAL CB C 13 35.765 0.400 . 1 . . . . 10 VAL CB . 17246 1 899 . 1 1 82 82 VAL CG1 C 13 21.506 0.400 . 1 . . . . 10 VAL CG1 . 17246 1 900 . 1 1 82 82 VAL N N 15 117.231 0.400 . 1 . . . . 10 VAL N . 17246 1 901 . 1 1 83 83 ASN H H 1 8.888 0.020 . 1 . . . . 10 ASN H . 17246 1 902 . 1 1 83 83 ASN HA H 1 5.459 0.020 . 1 . . . . 10 ASN HA . 17246 1 903 . 1 1 83 83 ASN HB2 H 1 2.542 0.020 . 2 . . . . 10 ASN HB2 . 17246 1 904 . 1 1 83 83 ASN HB3 H 1 2.409 0.020 . 2 . . . . 10 ASN HB3 . 17246 1 905 . 1 1 83 83 ASN HD21 H 1 7.220 0.020 . 2 . . . . 10 ASN HD21 . 17246 1 906 . 1 1 83 83 ASN HD22 H 1 6.760 0.020 . 2 . . . . 10 ASN HD22 . 17246 1 907 . 1 1 83 83 ASN C C 13 173.529 0.400 . 1 . . . . 10 ASN C . 17246 1 908 . 1 1 83 83 ASN CA C 13 51.614 0.400 . 1 . . . . 10 ASN CA . 17246 1 909 . 1 1 83 83 ASN CB C 13 42.123 0.400 . 1 . . . . 10 ASN CB . 17246 1 910 . 1 1 83 83 ASN N N 15 125.399 0.400 . 1 . . . . 10 ASN N . 17246 1 911 . 1 1 83 83 ASN ND2 N 15 112.509 0.400 . 1 . . . . 10 ASN ND2 . 17246 1 912 . 1 1 84 84 ILE H H 1 8.178 0.020 . 1 . . . . 10 ILE H . 17246 1 913 . 1 1 84 84 ILE HA H 1 4.155 0.020 . 1 . . . . 10 ILE HA . 17246 1 914 . 1 1 84 84 ILE HB H 1 0.680 0.020 . 1 . . . . 10 ILE HB . 17246 1 915 . 1 1 84 84 ILE HD11 H 1 0.134 0.020 . 1 . . . . 10 ILE HD1 . 17246 1 916 . 1 1 84 84 ILE HD12 H 1 0.134 0.020 . 1 . . . . 10 ILE HD1 . 17246 1 917 . 1 1 84 84 ILE HD13 H 1 0.134 0.020 . 1 . . . . 10 ILE HD1 . 17246 1 918 . 1 1 84 84 ILE HG12 H 1 1.083 0.020 . 2 . . . . 10 ILE HG12 . 17246 1 919 . 1 1 84 84 ILE HG13 H 1 0.421 0.020 . 2 . . . . 10 ILE HG13 . 17246 1 920 . 1 1 84 84 ILE HG21 H 1 -0.238 0.020 . 1 . . . . 10 ILE HG2 . 17246 1 921 . 1 1 84 84 ILE HG22 H 1 -0.238 0.020 . 1 . . . . 10 ILE HG2 . 17246 1 922 . 1 1 84 84 ILE HG23 H 1 -0.238 0.020 . 1 . . . . 10 ILE HG2 . 17246 1 923 . 1 1 84 84 ILE C C 13 175.058 0.400 . 1 . . . . 10 ILE C . 17246 1 924 . 1 1 84 84 ILE CA C 13 60.031 0.400 . 1 . . . . 10 ILE CA . 17246 1 925 . 1 1 84 84 ILE CB C 13 40.127 0.400 . 1 . . . . 10 ILE CB . 17246 1 926 . 1 1 84 84 ILE CD1 C 13 13.131 0.400 . 1 . . . . 10 ILE CD1 . 17246 1 927 . 1 1 84 84 ILE CG1 C 13 27.569 0.400 . 1 . . . . 10 ILE CG1 . 17246 1 928 . 1 1 84 84 ILE CG2 C 13 15.482 0.400 . 1 . . . . 10 ILE CG2 . 17246 1 929 . 1 1 84 84 ILE N N 15 118.551 0.400 . 1 . . . . 10 ILE N . 17246 1 930 . 1 1 85 85 ASP H H 1 8.055 0.020 . 1 . . . . 10 ASP H . 17246 1 931 . 1 1 85 85 ASP HA H 1 4.603 0.020 . 1 . . . . 10 ASP HA . 17246 1 932 . 1 1 85 85 ASP HB2 H 1 2.903 0.020 . 2 . . . . 10 ASP HB2 . 17246 1 933 . 1 1 85 85 ASP HB3 H 1 2.526 0.020 . 2 . . . . 10 ASP HB3 . 17246 1 934 . 1 1 85 85 ASP C C 13 175.782 0.400 . 1 . . . . 10 ASP C . 17246 1 935 . 1 1 85 85 ASP CA C 13 51.576 0.400 . 1 . . . . 10 ASP CA . 17246 1 936 . 1 1 85 85 ASP CB C 13 42.972 0.400 . 1 . . . . 10 ASP CB . 17246 1 937 . 1 1 85 85 ASP N N 15 128.378 0.400 . 1 . . . . 10 ASP N . 17246 1 938 . 1 1 86 86 PRO HA H 1 4.492 0.020 . 1 . . . . 10 PRO HA . 17246 1 939 . 1 1 86 86 PRO HB2 H 1 2.232 0.020 . 2 . . . . 10 PRO HB2 . 17246 1 940 . 1 1 86 86 PRO HB3 H 1 2.037 0.020 . 2 . . . . 10 PRO HB3 . 17246 1 941 . 1 1 86 86 PRO HD2 H 1 3.823 0.020 . 2 . . . . 10 PRO HD2 . 17246 1 942 . 1 1 86 86 PRO HD3 H 1 3.757 0.020 . 2 . . . . 10 PRO HD3 . 17246 1 943 . 1 1 86 86 PRO HG2 H 1 1.917 0.020 . 2 . . . . 10 PRO HG2 . 17246 1 944 . 1 1 86 86 PRO HG3 H 1 1.917 0.020 . 2 . . . . 10 PRO HG3 . 17246 1 945 . 1 1 86 86 PRO C C 13 176.305 0.400 . 1 . . . . 10 PRO C . 17246 1 946 . 1 1 86 86 PRO CA C 13 64.430 0.400 . 1 . . . . 10 PRO CA . 17246 1 947 . 1 1 86 86 PRO CB C 13 32.062 0.400 . 1 . . . . 10 PRO CB . 17246 1 948 . 1 1 86 86 PRO CD C 13 50.705 0.400 . 1 . . . . 10 PRO CD . 17246 1 949 . 1 1 86 86 PRO CG C 13 27.175 0.400 . 1 . . . . 10 PRO CG . 17246 1 950 . 1 1 87 87 GLN H H 1 8.438 0.020 . 1 . . . . 10 GLN H . 17246 1 951 . 1 1 87 87 GLN HA H 1 4.342 0.020 . 1 . . . . 10 GLN HA . 17246 1 952 . 1 1 87 87 GLN HB2 H 1 2.076 0.020 . 2 . . . . 10 GLN HB2 . 17246 1 953 . 1 1 87 87 GLN HB3 H 1 2.015 0.020 . 2 . . . . 10 GLN HB3 . 17246 1 954 . 1 1 87 87 GLN HE21 H 1 7.533 0.020 . 2 . . . . 10 GLN HE21 . 17246 1 955 . 1 1 87 87 GLN HE22 H 1 6.813 0.020 . 2 . . . . 10 GLN HE22 . 17246 1 956 . 1 1 87 87 GLN HG2 H 1 2.290 0.020 . 2 . . . . 10 GLN HG2 . 17246 1 957 . 1 1 87 87 GLN HG3 H 1 2.216 0.020 . 2 . . . . 10 GLN HG3 . 17246 1 958 . 1 1 87 87 GLN C C 13 177.150 0.400 . 1 . . . . 10 GLN C . 17246 1 959 . 1 1 87 87 GLN CA C 13 57.409 0.400 . 1 . . . . 10 GLN CA . 17246 1 960 . 1 1 87 87 GLN CB C 13 29.945 0.400 . 1 . . . . 10 GLN CB . 17246 1 961 . 1 1 87 87 GLN CG C 13 34.486 0.400 . 1 . . . . 10 GLN CG . 17246 1 962 . 1 1 87 87 GLN N N 15 115.676 0.400 . 1 . . . . 10 GLN N . 17246 1 963 . 1 1 87 87 GLN NE2 N 15 112.207 0.400 . 1 . . . . 10 GLN NE2 . 17246 1 964 . 1 1 88 88 THR H H 1 8.071 0.020 . 1 . . . . 106 THR H . 17246 1 965 . 1 1 88 88 THR HA H 1 4.025 0.020 . 1 . . . . 106 THR HA . 17246 1 966 . 1 1 88 88 THR HB H 1 4.216 0.020 . 1 . . . . 106 THR HB . 17246 1 967 . 1 1 88 88 THR HG21 H 1 1.060 0.020 . 1 . . . . 106 THR HG2 . 17246 1 968 . 1 1 88 88 THR HG22 H 1 1.060 0.020 . 1 . . . . 106 THR HG2 . 17246 1 969 . 1 1 88 88 THR HG23 H 1 1.060 0.020 . 1 . . . . 106 THR HG2 . 17246 1 970 . 1 1 88 88 THR C C 13 175.581 0.400 . 1 . . . . 106 THR C . 17246 1 971 . 1 1 88 88 THR CA C 13 61.553 0.400 . 1 . . . . 106 THR CA . 17246 1 972 . 1 1 88 88 THR CB C 13 70.776 0.400 . 1 . . . . 106 THR CB . 17246 1 973 . 1 1 88 88 THR CG2 C 13 21.124 0.400 . 1 . . . . 106 THR CG2 . 17246 1 974 . 1 1 88 88 THR N N 15 107.550 0.400 . 1 . . . . 106 THR N . 17246 1 975 . 1 1 89 89 PHE H H 1 8.387 0.020 . 1 . . . . 107 PHE H . 17246 1 976 . 1 1 89 89 PHE HA H 1 4.189 0.020 . 1 . . . . 107 PHE HA . 17246 1 977 . 1 1 89 89 PHE HB2 H 1 3.417 0.020 . 2 . . . . 107 PHE HB2 . 17246 1 978 . 1 1 89 89 PHE HB3 H 1 3.287 0.020 . 2 . . . . 107 PHE HB3 . 17246 1 979 . 1 1 89 89 PHE HD1 H 1 7.240 0.020 . 1 . . . . 107 PHE HD1 . 17246 1 980 . 1 1 89 89 PHE HD2 H 1 7.240 0.020 . 1 . . . . 107 PHE HD2 . 17246 1 981 . 1 1 89 89 PHE HE1 H 1 7.443 0.020 . 1 . . . . 107 PHE HE1 . 17246 1 982 . 1 1 89 89 PHE HE2 H 1 7.443 0.020 . 1 . . . . 107 PHE HE2 . 17246 1 983 . 1 1 89 89 PHE C C 13 174.092 0.400 . 1 . . . . 107 PHE C . 17246 1 984 . 1 1 89 89 PHE CA C 13 57.318 0.400 . 1 . . . . 107 PHE CA . 17246 1 985 . 1 1 89 89 PHE CB C 13 35.057 0.400 . 1 . . . . 107 PHE CB . 17246 1 986 . 1 1 89 89 PHE N N 15 117.991 0.400 . 1 . . . . 107 PHE N . 17246 1 987 . 1 1 90 90 LYS H H 1 7.400 0.020 . 1 . . . . 108 LYS H . 17246 1 988 . 1 1 90 90 LYS HA H 1 4.178 0.020 . 1 . . . . 108 LYS HA . 17246 1 989 . 1 1 90 90 LYS HB2 H 1 1.556 0.020 . 2 . . . . 108 LYS HB2 . 17246 1 990 . 1 1 90 90 LYS HB3 H 1 1.556 0.020 . 2 . . . . 108 LYS HB3 . 17246 1 991 . 1 1 90 90 LYS HD2 H 1 1.583 0.020 . 2 . . . . 108 LYS HD2 . 17246 1 992 . 1 1 90 90 LYS HD3 H 1 1.583 0.020 . 2 . . . . 108 LYS HD3 . 17246 1 993 . 1 1 90 90 LYS HE2 H 1 2.900 0.020 . 2 . . . . 108 LYS HE2 . 17246 1 994 . 1 1 90 90 LYS HE3 H 1 2.900 0.020 . 2 . . . . 108 LYS HE3 . 17246 1 995 . 1 1 90 90 LYS HG2 H 1 1.359 0.020 . 2 . . . . 108 LYS HG2 . 17246 1 996 . 1 1 90 90 LYS HG3 H 1 1.315 0.020 . 2 . . . . 108 LYS HG3 . 17246 1 997 . 1 1 90 90 LYS C C 13 177.351 0.400 . 1 . . . . 108 LYS C . 17246 1 998 . 1 1 90 90 LYS CA C 13 56.539 0.400 . 1 . . . . 108 LYS CA . 17246 1 999 . 1 1 90 90 LYS CB C 13 32.889 0.400 . 1 . . . . 108 LYS CB . 17246 1 1000 . 1 1 90 90 LYS CD C 13 29.024 0.400 . 1 . . . . 108 LYS CD . 17246 1 1001 . 1 1 90 90 LYS CE C 13 42.217 0.400 . 1 . . . . 108 LYS CE . 17246 1 1002 . 1 1 90 90 LYS CG C 13 24.822 0.400 . 1 . . . . 108 LYS CG . 17246 1 1003 . 1 1 90 90 LYS N N 15 117.417 0.400 . 1 . . . . 108 LYS N . 17246 1 1004 . 1 1 91 91 LEU H H 1 8.623 0.020 . 1 . . . . 109 LEU H . 17246 1 1005 . 1 1 91 91 LEU HA H 1 4.877 0.020 . 1 . . . . 109 LEU HA . 17246 1 1006 . 1 1 91 91 LEU HB2 H 1 1.872 0.020 . 2 . . . . 109 LEU HB2 . 17246 1 1007 . 1 1 91 91 LEU HB3 H 1 1.623 0.020 . 2 . . . . 109 LEU HB3 . 17246 1 1008 . 1 1 91 91 LEU HD11 H 1 0.742 0.020 . 2 . . . . 109 LEU HD1 . 17246 1 1009 . 1 1 91 91 LEU HD12 H 1 0.742 0.020 . 2 . . . . 109 LEU HD1 . 17246 1 1010 . 1 1 91 91 LEU HD13 H 1 0.742 0.020 . 2 . . . . 109 LEU HD1 . 17246 1 1011 . 1 1 91 91 LEU HD21 H 1 0.816 0.020 . 2 . . . . 109 LEU HD2 . 17246 1 1012 . 1 1 91 91 LEU HD22 H 1 0.816 0.020 . 2 . . . . 109 LEU HD2 . 17246 1 1013 . 1 1 91 91 LEU HD23 H 1 0.816 0.020 . 2 . . . . 109 LEU HD2 . 17246 1 1014 . 1 1 91 91 LEU HG H 1 1.575 0.020 . 1 . . . . 109 LEU HG . 17246 1 1015 . 1 1 91 91 LEU C C 13 179.363 0.400 . 1 . . . . 109 LEU C . 17246 1 1016 . 1 1 91 91 LEU CA C 13 55.643 0.400 . 1 . . . . 109 LEU CA . 17246 1 1017 . 1 1 91 91 LEU CB C 13 43.645 0.400 . 1 . . . . 109 LEU CB . 17246 1 1018 . 1 1 91 91 LEU CD1 C 13 25.572 0.400 . 1 . . . . 109 LEU CD1 . 17246 1 1019 . 1 1 91 91 LEU CD2 C 13 24.325 0.400 . 1 . . . . 109 LEU CD2 . 17246 1 1020 . 1 1 91 91 LEU CG C 13 30.728 0.400 . 1 . . . . 109 LEU CG . 17246 1 1021 . 1 1 91 91 LEU N N 15 127.155 0.400 . 1 . . . . 109 LEU N . 17246 1 1022 . 1 1 92 92 SER H H 1 8.819 0.020 . 1 . . . . 110 SER H . 17246 1 1023 . 1 1 92 92 SER HA H 1 4.153 0.020 . 1 . . . . 110 SER HA . 17246 1 1024 . 1 1 92 92 SER HB2 H 1 4.211 0.020 . 2 . . . . 110 SER HB2 . 17246 1 1025 . 1 1 92 92 SER HB3 H 1 3.822 0.020 . 2 . . . . 110 SER HB3 . 17246 1 1026 . 1 1 92 92 SER C C 13 173.529 0.400 . 1 . . . . 110 SER C . 17246 1 1027 . 1 1 92 92 SER CA C 13 60.002 0.400 . 1 . . . . 110 SER CA . 17246 1 1028 . 1 1 92 92 SER CB C 13 63.396 0.400 . 1 . . . . 110 SER CB . 17246 1 1029 . 1 1 92 92 SER N N 15 116.103 0.400 . 1 . . . . 110 SER N . 17246 1 1030 . 1 1 93 93 GLY H H 1 7.101 0.020 . 1 . . . . 111 GLY H . 17246 1 1031 . 1 1 93 93 GLY HA2 H 1 4.090 0.020 . 2 . . . . 111 GLY HA2 . 17246 1 1032 . 1 1 93 93 GLY HA3 H 1 3.822 0.020 . 2 . . . . 111 GLY HA3 . 17246 1 1033 . 1 1 93 93 GLY C C 13 171.235 0.400 . 1 . . . . 111 GLY C . 17246 1 1034 . 1 1 93 93 GLY CA C 13 43.824 0.400 . 1 . . . . 111 GLY CA . 17246 1 1035 . 1 1 93 93 GLY N N 15 108.972 0.400 . 1 . . . . 111 GLY N . 17246 1 1036 . 1 1 94 94 ALA H H 1 8.265 0.020 . 1 . . . . 112 ALA H . 17246 1 1037 . 1 1 94 94 ALA HA H 1 4.042 0.020 . 1 . . . . 112 ALA HA . 17246 1 1038 . 1 1 94 94 ALA HB1 H 1 1.225 0.020 . 1 . . . . 112 ALA HB . 17246 1 1039 . 1 1 94 94 ALA HB2 H 1 1.225 0.020 . 1 . . . . 112 ALA HB . 17246 1 1040 . 1 1 94 94 ALA HB3 H 1 1.225 0.020 . 1 . . . . 112 ALA HB . 17246 1 1041 . 1 1 94 94 ALA C C 13 177.167 0.400 . 1 . . . . 112 ALA C . 17246 1 1042 . 1 1 94 94 ALA CA C 13 51.967 0.400 . 1 . . . . 112 ALA CA . 17246 1 1043 . 1 1 94 94 ALA CB C 13 18.589 0.400 . 1 . . . . 112 ALA CB . 17246 1 1044 . 1 1 94 94 ALA N N 15 122.207 0.400 . 1 . . . . 112 ALA N . 17246 1 1045 . 1 1 95 95 MET H H 1 8.474 0.020 . 1 . . . . 113 MET H . 17246 1 1046 . 1 1 95 95 MET HA H 1 4.286 0.020 . 1 . . . . 113 MET HA . 17246 1 1047 . 1 1 95 95 MET HB2 H 1 1.817 0.020 . 2 . . . . 113 MET HB2 . 17246 1 1048 . 1 1 95 95 MET HB3 H 1 1.945 0.020 . 2 . . . . 113 MET HB3 . 17246 1 1049 . 1 1 95 95 MET HE1 H 1 1.816 0.020 . 1 . . . . 113 MET HE . 17246 1 1050 . 1 1 95 95 MET HE2 H 1 1.816 0.020 . 1 . . . . 113 MET HE . 17246 1 1051 . 1 1 95 95 MET HE3 H 1 1.816 0.020 . 1 . . . . 113 MET HE . 17246 1 1052 . 1 1 95 95 MET HG2 H 1 2.346 0.020 . 2 . . . . 113 MET HG2 . 17246 1 1053 . 1 1 95 95 MET HG3 H 1 2.346 0.020 . 2 . . . . 113 MET HG3 . 17246 1 1054 . 1 1 95 95 MET C C 13 174.897 0.400 . 1 . . . . 113 MET C . 17246 1 1055 . 1 1 95 95 MET CA C 13 52.692 0.400 . 1 . . . . 113 MET CA . 17246 1 1056 . 1 1 95 95 MET CB C 13 31.566 0.400 . 1 . . . . 113 MET CB . 17246 1 1057 . 1 1 95 95 MET CE C 13 17.245 0.400 . 1 . . . . 113 MET CE . 17246 1 1058 . 1 1 95 95 MET CG C 13 31.592 0.400 . 1 . . . . 113 MET CG . 17246 1 1059 . 1 1 95 95 MET N N 15 121.349 0.400 . 1 . . . . 113 MET N . 17246 1 1060 . 1 1 96 96 PRO HA H 1 4.365 0.020 . 1 . . . . 114 PRO HA . 17246 1 1061 . 1 1 96 96 PRO HB2 H 1 2.490 0.020 . 2 . . . . 114 PRO HB2 . 17246 1 1062 . 1 1 96 96 PRO HB3 H 1 2.490 0.020 . 2 . . . . 114 PRO HB3 . 17246 1 1063 . 1 1 96 96 PRO HD2 H 1 4.127 0.020 . 2 . . . . 114 PRO HD2 . 17246 1 1064 . 1 1 96 96 PRO HD3 H 1 3.475 0.020 . 2 . . . . 114 PRO HD3 . 17246 1 1065 . 1 1 96 96 PRO HG2 H 1 1.849 0.020 . 2 . . . . 114 PRO HG2 . 17246 1 1066 . 1 1 96 96 PRO HG3 H 1 1.692 0.020 . 2 . . . . 114 PRO HG3 . 17246 1 1067 . 1 1 96 96 PRO CA C 13 62.772 0.400 . 1 . . . . 114 PRO CA . 17246 1 1068 . 1 1 96 96 PRO CB C 13 33.260 0.400 . 1 . . . . 114 PRO CB . 17246 1 1069 . 1 1 96 96 PRO CD C 13 51.169 0.400 . 1 . . . . 114 PRO CD . 17246 1 1070 . 1 1 96 96 PRO CG C 13 27.722 0.400 . 1 . . . . 114 PRO CG . 17246 1 1071 . 1 1 97 97 ALA H H 1 9.036 0.020 . 1 . . . . 115 ALA H . 17246 1 1072 . 1 1 97 97 ALA HA H 1 4.080 0.020 . 1 . . . . 115 ALA HA . 17246 1 1073 . 1 1 97 97 ALA HB1 H 1 1.460 0.020 . 1 . . . . 115 ALA HB . 17246 1 1074 . 1 1 97 97 ALA HB2 H 1 1.460 0.020 . 1 . . . . 115 ALA HB . 17246 1 1075 . 1 1 97 97 ALA HB3 H 1 1.460 0.020 . 1 . . . . 115 ALA HB . 17246 1 1076 . 1 1 97 97 ALA CA C 13 54.969 0.400 . 1 . . . . 115 ALA CA . 17246 1 1077 . 1 1 97 97 ALA CB C 13 18.710 0.400 . 1 . . . . 115 ALA CB . 17246 1 1078 . 1 1 97 97 ALA N N 15 127.160 0.400 . 1 . . . . 115 ALA N . 17246 1 1079 . 1 1 98 98 THR H H 1 7.599 0.020 . 1 . . . . 116 THR H . 17246 1 1080 . 1 1 98 98 THR HA H 1 4.496 0.020 . 1 . . . . 116 THR HA . 17246 1 1081 . 1 1 98 98 THR HB H 1 4.622 0.020 . 1 . . . . 116 THR HB . 17246 1 1082 . 1 1 98 98 THR HG21 H 1 1.089 0.020 . 1 . . . . 116 THR HG2 . 17246 1 1083 . 1 1 98 98 THR HG22 H 1 1.089 0.020 . 1 . . . . 116 THR HG2 . 17246 1 1084 . 1 1 98 98 THR HG23 H 1 1.089 0.020 . 1 . . . . 116 THR HG2 . 17246 1 1085 . 1 1 98 98 THR C C 13 173.690 0.400 . 1 . . . . 116 THR C . 17246 1 1086 . 1 1 98 98 THR CA C 13 60.479 0.400 . 1 . . . . 116 THR CA . 17246 1 1087 . 1 1 98 98 THR CB C 13 67.821 0.400 . 1 . . . . 116 THR CB . 17246 1 1088 . 1 1 98 98 THR CG2 C 13 21.924 0.400 . 1 . . . . 116 THR CG2 . 17246 1 1089 . 1 1 98 98 THR N N 15 103.337 0.400 . 1 . . . . 116 THR N . 17246 1 1090 . 1 1 99 99 ALA H H 1 6.899 0.020 . 1 . . . . 117 ALA H . 17246 1 1091 . 1 1 99 99 ALA HA H 1 3.744 0.020 . 1 . . . . 117 ALA HA . 17246 1 1092 . 1 1 99 99 ALA HB1 H 1 1.146 0.020 . 1 . . . . 117 ALA HB . 17246 1 1093 . 1 1 99 99 ALA HB2 H 1 1.146 0.020 . 1 . . . . 117 ALA HB . 17246 1 1094 . 1 1 99 99 ALA HB3 H 1 1.146 0.020 . 1 . . . . 117 ALA HB . 17246 1 1095 . 1 1 99 99 ALA C C 13 177.351 0.400 . 1 . . . . 117 ALA C . 17246 1 1096 . 1 1 99 99 ALA CA C 13 52.688 0.400 . 1 . . . . 117 ALA CA . 17246 1 1097 . 1 1 99 99 ALA CB C 13 21.618 0.400 . 1 . . . . 117 ALA CB . 17246 1 1098 . 1 1 99 99 ALA N N 15 120.383 0.400 . 1 . . . . 117 ALA N . 17246 1 1099 . 1 1 100 100 MET H H 1 9.088 0.020 . 1 . . . . 118 MET H . 17246 1 1100 . 1 1 100 100 MET HA H 1 4.515 0.020 . 1 . . . . 118 MET HA . 17246 1 1101 . 1 1 100 100 MET HB2 H 1 1.970 0.020 . 2 . . . . 118 MET HB2 . 17246 1 1102 . 1 1 100 100 MET HB3 H 1 1.303 0.020 . 2 . . . . 118 MET HB3 . 17246 1 1103 . 1 1 100 100 MET HE1 H 1 0.323 0.020 . 1 . . . . 118 MET HE . 17246 1 1104 . 1 1 100 100 MET HE2 H 1 0.323 0.020 . 1 . . . . 118 MET HE . 17246 1 1105 . 1 1 100 100 MET HE3 H 1 0.323 0.020 . 1 . . . . 118 MET HE . 17246 1 1106 . 1 1 100 100 MET HG2 H 1 2.099 0.020 . 2 . . . . 118 MET HG2 . 17246 1 1107 . 1 1 100 100 MET HG3 H 1 1.818 0.020 . 2 . . . . 118 MET HG3 . 17246 1 1108 . 1 1 100 100 MET C C 13 171.638 0.400 . 1 . . . . 118 MET C . 17246 1 1109 . 1 1 100 100 MET CA C 13 56.270 0.400 . 1 . . . . 118 MET CA . 17246 1 1110 . 1 1 100 100 MET CB C 13 31.243 0.400 . 1 . . . . 118 MET CB . 17246 1 1111 . 1 1 100 100 MET CE C 13 17.047 0.400 . 1 . . . . 118 MET CE . 17246 1 1112 . 1 1 100 100 MET CG C 13 33.263 0.400 . 1 . . . . 118 MET CG . 17246 1 1113 . 1 1 100 100 MET N N 15 123.008 0.400 . 1 . . . . 118 MET N . 17246 1 1114 . 1 1 101 101 LYS H H 1 7.767 0.020 . 1 . . . . 119 LYS H . 17246 1 1115 . 1 1 101 101 LYS HA H 1 6.106 0.020 . 1 . . . . 119 LYS HA . 17246 1 1116 . 1 1 101 101 LYS HB2 H 1 2.303 0.020 . 2 . . . . 119 LYS HB2 . 17246 1 1117 . 1 1 101 101 LYS HB3 H 1 1.583 0.020 . 2 . . . . 119 LYS HB3 . 17246 1 1118 . 1 1 101 101 LYS HD2 H 1 1.598 0.020 . 2 . . . . 119 LYS HD2 . 17246 1 1119 . 1 1 101 101 LYS HD3 H 1 1.505 0.020 . 2 . . . . 119 LYS HD3 . 17246 1 1120 . 1 1 101 101 LYS HE2 H 1 2.975 0.020 . 2 . . . . 119 LYS HE2 . 17246 1 1121 . 1 1 101 101 LYS HE3 H 1 2.975 0.020 . 2 . . . . 119 LYS HE3 . 17246 1 1122 . 1 1 101 101 LYS HG2 H 1 1.469 0.020 . 2 . . . . 119 LYS HG2 . 17246 1 1123 . 1 1 101 101 LYS HG3 H 1 1.283 0.020 . 2 . . . . 119 LYS HG3 . 17246 1 1124 . 1 1 101 101 LYS C C 13 174.816 0.400 . 1 . . . . 119 LYS C . 17246 1 1125 . 1 1 101 101 LYS CA C 13 53.226 0.400 . 1 . . . . 119 LYS CA . 17246 1 1126 . 1 1 101 101 LYS CB C 13 35.662 0.400 . 1 . . . . 119 LYS CB . 17246 1 1127 . 1 1 101 101 LYS CD C 13 29.599 0.400 . 1 . . . . 119 LYS CD . 17246 1 1128 . 1 1 101 101 LYS CE C 13 42.932 0.400 . 1 . . . . 119 LYS CE . 17246 1 1129 . 1 1 101 101 LYS CG C 13 23.420 0.400 . 1 . . . . 119 LYS CG . 17246 1 1130 . 1 1 101 101 LYS N N 15 124.758 0.400 . 1 . . . . 119 LYS N . 17246 1 1131 . 1 1 102 102 LYS H H 1 9.099 0.020 . 1 . . . . 120 LYS H . 17246 1 1132 . 1 1 102 102 LYS HA H 1 4.206 0.020 . 1 . . . . 120 LYS HA . 17246 1 1133 . 1 1 102 102 LYS HB2 H 1 1.112 0.020 . 2 . . . . 120 LYS HB2 . 17246 1 1134 . 1 1 102 102 LYS HB3 H 1 0.988 0.020 . 2 . . . . 120 LYS HB3 . 17246 1 1135 . 1 1 102 102 LYS HD2 H 1 1.093 0.020 . 2 . . . . 120 LYS HD2 . 17246 1 1136 . 1 1 102 102 LYS HD3 H 1 1.093 0.020 . 2 . . . . 120 LYS HD3 . 17246 1 1137 . 1 1 102 102 LYS HE2 H 1 2.876 0.020 . 2 . . . . 120 LYS HE2 . 17246 1 1138 . 1 1 102 102 LYS HE3 H 1 2.876 0.020 . 2 . . . . 120 LYS HE3 . 17246 1 1139 . 1 1 102 102 LYS HG2 H 1 1.077 0.020 . 2 . . . . 120 LYS HG2 . 17246 1 1140 . 1 1 102 102 LYS HG3 H 1 1.077 0.020 . 2 . . . . 120 LYS HG3 . 17246 1 1141 . 1 1 102 102 LYS C C 13 174.213 0.400 . 1 . . . . 120 LYS C . 17246 1 1142 . 1 1 102 102 LYS CA C 13 56.897 0.400 . 1 . . . . 120 LYS CA . 17246 1 1143 . 1 1 102 102 LYS CB C 13 37.108 0.400 . 1 . . . . 120 LYS CB . 17246 1 1144 . 1 1 102 102 LYS CD C 13 28.557 0.400 . 1 . . . . 120 LYS CD . 17246 1 1145 . 1 1 102 102 LYS CE C 13 42.170 0.400 . 1 . . . . 120 LYS CE . 17246 1 1146 . 1 1 102 102 LYS CG C 13 24.771 0.400 . 1 . . . . 120 LYS CG . 17246 1 1147 . 1 1 102 102 LYS N N 15 123.717 0.400 . 1 . . . . 120 LYS N . 17246 1 1148 . 1 1 103 103 LEU H H 1 8.007 0.020 . 1 . . . . 121 LEU H . 17246 1 1149 . 1 1 103 103 LEU HA H 1 4.955 0.020 . 1 . . . . 121 LEU HA . 17246 1 1150 . 1 1 103 103 LEU HB2 H 1 1.618 0.020 . 2 . . . . 121 LEU HB2 . 17246 1 1151 . 1 1 103 103 LEU HB3 H 1 1.114 0.020 . 2 . . . . 121 LEU HB3 . 17246 1 1152 . 1 1 103 103 LEU HD11 H 1 0.839 0.020 . 2 . . . . 121 LEU HD1 . 17246 1 1153 . 1 1 103 103 LEU HD12 H 1 0.839 0.020 . 2 . . . . 121 LEU HD1 . 17246 1 1154 . 1 1 103 103 LEU HD13 H 1 0.839 0.020 . 2 . . . . 121 LEU HD1 . 17246 1 1155 . 1 1 103 103 LEU HD21 H 1 0.839 0.020 . 2 . . . . 121 LEU HD2 . 17246 1 1156 . 1 1 103 103 LEU HD22 H 1 0.839 0.020 . 2 . . . . 121 LEU HD2 . 17246 1 1157 . 1 1 103 103 LEU HD23 H 1 0.839 0.020 . 2 . . . . 121 LEU HD2 . 17246 1 1158 . 1 1 103 103 LEU HG H 1 0.882 0.020 . 1 . . . . 121 LEU HG . 17246 1 1159 . 1 1 103 103 LEU C C 13 179.122 0.400 . 1 . . . . 121 LEU C . 17246 1 1160 . 1 1 103 103 LEU CA C 13 53.689 0.400 . 1 . . . . 121 LEU CA . 17246 1 1161 . 1 1 103 103 LEU CB C 13 44.092 0.400 . 1 . . . . 121 LEU CB . 17246 1 1162 . 1 1 103 103 LEU CD1 C 13 24.245 0.400 . 1 . . . . 121 LEU CD1 . 17246 1 1163 . 1 1 103 103 LEU CG C 13 25.922 0.400 . 1 . . . . 121 LEU CG . 17246 1 1164 . 1 1 103 103 LEU N N 15 123.009 0.400 . 1 . . . . 121 LEU N . 17246 1 1165 . 1 1 104 104 THR H H 1 9.513 0.020 . 1 . . . . 122 THR H . 17246 1 1166 . 1 1 104 104 THR HA H 1 3.633 0.020 . 1 . . . . 122 THR HA . 17246 1 1167 . 1 1 104 104 THR HB H 1 4.889 0.020 . 1 . . . . 122 THR HB . 17246 1 1168 . 1 1 104 104 THR HG1 H 1 5.800 0.020 . 1 . . . . 122 THR HG1 . 17246 1 1169 . 1 1 104 104 THR HG21 H 1 1.667 0.020 . 1 . . . . 122 THR HG2 . 17246 1 1170 . 1 1 104 104 THR HG22 H 1 1.667 0.020 . 1 . . . . 122 THR HG2 . 17246 1 1171 . 1 1 104 104 THR HG23 H 1 1.667 0.020 . 1 . . . . 122 THR HG2 . 17246 1 1172 . 1 1 104 104 THR C C 13 176.868 0.400 . 1 . . . . 122 THR C . 17246 1 1173 . 1 1 104 104 THR CA C 13 63.165 0.400 . 1 . . . . 122 THR CA . 17246 1 1174 . 1 1 104 104 THR CB C 13 69.640 0.400 . 1 . . . . 122 THR CB . 17246 1 1175 . 1 1 104 104 THR CG2 C 13 25.437 0.400 . 1 . . . . 122 THR CG2 . 17246 1 1176 . 1 1 104 104 THR N N 15 112.083 0.400 . 1 . . . . 122 THR N . 17246 1 1177 . 1 1 105 105 GLU H H 1 7.327 0.020 . 1 . . . . 123 GLU H . 17246 1 1178 . 1 1 105 105 GLU HA H 1 4.515 0.020 . 1 . . . . 123 GLU HA . 17246 1 1179 . 1 1 105 105 GLU HB2 H 1 2.447 0.020 . 2 . . . . 123 GLU HB2 . 17246 1 1180 . 1 1 105 105 GLU HB3 H 1 1.964 0.020 . 2 . . . . 123 GLU HB3 . 17246 1 1181 . 1 1 105 105 GLU HG2 H 1 2.344 0.020 . 2 . . . . 123 GLU HG2 . 17246 1 1182 . 1 1 105 105 GLU HG3 H 1 2.270 0.020 . 2 . . . . 123 GLU HG3 . 17246 1 1183 . 1 1 105 105 GLU C C 13 176.184 0.400 . 1 . . . . 123 GLU C . 17246 1 1184 . 1 1 105 105 GLU CA C 13 55.678 0.400 . 1 . . . . 123 GLU CA . 17246 1 1185 . 1 1 105 105 GLU CB C 13 30.393 0.400 . 1 . . . . 123 GLU CB . 17246 1 1186 . 1 1 105 105 GLU CG C 13 37.259 0.400 . 1 . . . . 123 GLU CG . 17246 1 1187 . 1 1 105 105 GLU N N 15 125.216 0.400 . 1 . . . . 123 GLU N . 17246 1 1188 . 1 1 106 106 ALA H H 1 8.474 0.020 . 1 . . . . 124 ALA H . 17246 1 1189 . 1 1 106 106 ALA HA H 1 3.877 0.020 . 1 . . . . 124 ALA HA . 17246 1 1190 . 1 1 106 106 ALA HB1 H 1 1.398 0.020 . 1 . . . . 124 ALA HB . 17246 1 1191 . 1 1 106 106 ALA HB2 H 1 1.398 0.020 . 1 . . . . 124 ALA HB . 17246 1 1192 . 1 1 106 106 ALA HB3 H 1 1.398 0.020 . 1 . . . . 124 ALA HB . 17246 1 1193 . 1 1 106 106 ALA C C 13 178.317 0.400 . 1 . . . . 124 ALA C . 17246 1 1194 . 1 1 106 106 ALA CA C 13 55.543 0.400 . 1 . . . . 124 ALA CA . 17246 1 1195 . 1 1 106 106 ALA CB C 13 18.126 0.400 . 1 . . . . 124 ALA CB . 17246 1 1196 . 1 1 106 106 ALA N N 15 121.874 0.400 . 1 . . . . 124 ALA N . 17246 1 1197 . 1 1 107 107 GLU H H 1 7.589 0.020 . 1 . . . . 125 GLU H . 17246 1 1198 . 1 1 107 107 GLU HA H 1 4.625 0.020 . 1 . . . . 125 GLU HA . 17246 1 1199 . 1 1 107 107 GLU HB2 H 1 2.311 0.020 . 2 . . . . 125 GLU HB2 . 17246 1 1200 . 1 1 107 107 GLU HB3 H 1 1.728 0.020 . 2 . . . . 125 GLU HB3 . 17246 1 1201 . 1 1 107 107 GLU HG2 H 1 2.063 0.020 . 2 . . . . 125 GLU HG2 . 17246 1 1202 . 1 1 107 107 GLU HG3 H 1 2.063 0.020 . 2 . . . . 125 GLU HG3 . 17246 1 1203 . 1 1 107 107 GLU C C 13 176.345 0.400 . 1 . . . . 125 GLU C . 17246 1 1204 . 1 1 107 107 GLU CA C 13 54.520 0.400 . 1 . . . . 125 GLU CA . 17246 1 1205 . 1 1 107 107 GLU CB C 13 29.229 0.400 . 1 . . . . 125 GLU CB . 17246 1 1206 . 1 1 107 107 GLU CG C 13 36.755 0.400 . 1 . . . . 125 GLU CG . 17246 1 1207 . 1 1 107 107 GLU N N 15 110.339 0.400 . 1 . . . . 125 GLU N . 17246 1 1208 . 1 1 108 108 GLY H H 1 7.156 0.020 . 1 . . . . 126 GLY H . 17246 1 1209 . 1 1 108 108 GLY HA2 H 1 4.117 0.020 . 2 . . . . 126 GLY HA2 . 17246 1 1210 . 1 1 108 108 GLY HA3 H 1 3.728 0.020 . 2 . . . . 126 GLY HA3 . 17246 1 1211 . 1 1 108 108 GLY C C 13 175.299 0.400 . 1 . . . . 126 GLY C . 17246 1 1212 . 1 1 108 108 GLY CA C 13 44.303 0.400 . 1 . . . . 126 GLY CA . 17246 1 1213 . 1 1 108 108 GLY N N 15 106.163 0.400 . 1 . . . . 126 GLY N . 17246 1 1214 . 1 1 109 109 ALA H H 1 8.935 0.020 . 1 . . . . 127 ALA H . 17246 1 1215 . 1 1 109 109 ALA HA H 1 4.499 0.020 . 1 . . . . 127 ALA HA . 17246 1 1216 . 1 1 109 109 ALA HB1 H 1 0.910 0.020 . 1 . . . . 127 ALA HB . 17246 1 1217 . 1 1 109 109 ALA HB2 H 1 0.910 0.020 . 1 . . . . 127 ALA HB . 17246 1 1218 . 1 1 109 109 ALA HB3 H 1 0.910 0.020 . 1 . . . . 127 ALA HB . 17246 1 1219 . 1 1 109 109 ALA C C 13 173.327 0.400 . 1 . . . . 127 ALA C . 17246 1 1220 . 1 1 109 109 ALA CA C 13 50.271 0.400 . 1 . . . . 127 ALA CA . 17246 1 1221 . 1 1 109 109 ALA CB C 13 19.648 0.400 . 1 . . . . 127 ALA CB . 17246 1 1222 . 1 1 109 109 ALA N N 15 124.852 0.400 . 1 . . . . 127 ALA N . 17246 1 1223 . 1 1 110 110 LYS H H 1 8.673 0.020 . 1 . . . . 128 LYS H . 17246 1 1224 . 1 1 110 110 LYS HA H 1 4.295 0.020 . 1 . . . . 128 LYS HA . 17246 1 1225 . 1 1 110 110 LYS HB2 H 1 1.294 0.020 . 2 . . . . 128 LYS HB2 . 17246 1 1226 . 1 1 110 110 LYS HB3 H 1 1.594 0.020 . 2 . . . . 128 LYS HB3 . 17246 1 1227 . 1 1 110 110 LYS HD2 H 1 1.383 0.020 . 2 . . . . 128 LYS HD2 . 17246 1 1228 . 1 1 110 110 LYS HD3 H 1 1.383 0.020 . 2 . . . . 128 LYS HD3 . 17246 1 1229 . 1 1 110 110 LYS HE2 H 1 2.828 0.020 . 2 . . . . 128 LYS HE2 . 17246 1 1230 . 1 1 110 110 LYS HE3 H 1 2.828 0.020 . 2 . . . . 128 LYS HE3 . 17246 1 1231 . 1 1 110 110 LYS HG2 H 1 1.586 0.020 . 2 . . . . 128 LYS HG2 . 17246 1 1232 . 1 1 110 110 LYS HG3 H 1 1.586 0.020 . 2 . . . . 128 LYS HG3 . 17246 1 1233 . 1 1 110 110 LYS C C 13 174.454 0.400 . 1 . . . . 128 LYS C . 17246 1 1234 . 1 1 110 110 LYS CA C 13 56.147 0.400 . 1 . . . . 128 LYS CA . 17246 1 1235 . 1 1 110 110 LYS CB C 13 33.030 0.400 . 1 . . . . 128 LYS CB . 17246 1 1236 . 1 1 110 110 LYS CD C 13 29.010 0.400 . 1 . . . . 128 LYS CD . 17246 1 1237 . 1 1 110 110 LYS CE C 13 42.044 0.400 . 1 . . . . 128 LYS CE . 17246 1 1238 . 1 1 110 110 LYS CG C 13 24.747 0.400 . 1 . . . . 128 LYS CG . 17246 1 1239 . 1 1 110 110 LYS N N 15 126.239 0.400 . 1 . . . . 128 LYS N . 17246 1 1240 . 1 1 111 111 PHE H H 1 9.122 0.020 . 1 . . . . 129 PHE H . 17246 1 1241 . 1 1 111 111 PHE HA H 1 4.272 0.020 . 1 . . . . 129 PHE HA . 17246 1 1242 . 1 1 111 111 PHE HB2 H 1 3.035 0.020 . 2 . . . . 129 PHE HB2 . 17246 1 1243 . 1 1 111 111 PHE HB3 H 1 2.121 0.020 . 2 . . . . 129 PHE HB3 . 17246 1 1244 . 1 1 111 111 PHE HD1 H 1 7.010 0.020 . 1 . . . . 129 PHE HD1 . 17246 1 1245 . 1 1 111 111 PHE HD2 H 1 7.010 0.020 . 1 . . . . 129 PHE HD2 . 17246 1 1246 . 1 1 111 111 PHE HE1 H 1 7.584 0.020 . 1 . . . . 129 PHE HE1 . 17246 1 1247 . 1 1 111 111 PHE HE2 H 1 7.584 0.020 . 1 . . . . 129 PHE HE2 . 17246 1 1248 . 1 1 111 111 PHE HZ H 1 6.159 0.020 . 1 . . . . 129 PHE HZ . 17246 1 1249 . 1 1 111 111 PHE C C 13 174.937 0.400 . 1 . . . . 129 PHE C . 17246 1 1250 . 1 1 111 111 PHE CA C 13 57.703 0.400 . 1 . . . . 129 PHE CA . 17246 1 1251 . 1 1 111 111 PHE CB C 13 39.795 0.400 . 1 . . . . 129 PHE CB . 17246 1 1252 . 1 1 111 111 PHE N N 15 126.389 0.400 . 1 . . . . 129 PHE N . 17246 1 1253 . 1 1 112 112 ASN H H 1 8.721 0.020 . 1 . . . . 130 ASN H . 17246 1 1254 . 1 1 112 112 ASN HA H 1 4.676 0.020 . 1 . . . . 130 ASN HA . 17246 1 1255 . 1 1 112 112 ASN HB2 H 1 3.008 0.020 . 2 . . . . 130 ASN HB2 . 17246 1 1256 . 1 1 112 112 ASN HB3 H 1 2.659 0.020 . 2 . . . . 130 ASN HB3 . 17246 1 1257 . 1 1 112 112 ASN HD21 H 1 6.568 0.020 . 2 . . . . 130 ASN HD21 . 17246 1 1258 . 1 1 112 112 ASN HD22 H 1 7.381 0.020 . 2 . . . . 130 ASN HD22 . 17246 1 1259 . 1 1 112 112 ASN CA C 13 52.859 0.400 . 1 . . . . 130 ASN CA . 17246 1 1260 . 1 1 112 112 ASN CB C 13 37.837 0.400 . 1 . . . . 130 ASN CB . 17246 1 1261 . 1 1 112 112 ASN N N 15 120.938 0.400 . 1 . . . . 130 ASN N . 17246 1 1262 . 1 1 112 112 ASN ND2 N 15 110.327 0.400 . 1 . . . . 130 ASN ND2 . 17246 1 1263 . 1 1 113 113 THR H H 1 7.857 0.020 . 1 . . . . 131 THR H . 17246 1 1264 . 1 1 113 113 THR HA H 1 3.905 0.020 . 1 . . . . 131 THR HA . 17246 1 1265 . 1 1 113 113 THR HB H 1 4.204 0.020 . 1 . . . . 131 THR HB . 17246 1 1266 . 1 1 113 113 THR HG21 H 1 0.357 0.020 . 1 . . . . 131 THR HG2 . 17246 1 1267 . 1 1 113 113 THR HG22 H 1 0.357 0.020 . 1 . . . . 131 THR HG2 . 17246 1 1268 . 1 1 113 113 THR HG23 H 1 0.357 0.020 . 1 . . . . 131 THR HG2 . 17246 1 1269 . 1 1 113 113 THR C C 13 176.305 0.400 . 1 . . . . 131 THR C . 17246 1 1270 . 1 1 113 113 THR CA C 13 61.553 0.400 . 1 . . . . 131 THR CA . 17246 1 1271 . 1 1 113 113 THR CB C 13 67.463 0.400 . 1 . . . . 131 THR CB . 17246 1 1272 . 1 1 113 113 THR CG2 C 13 21.881 0.400 . 1 . . . . 131 THR CG2 . 17246 1 1273 . 1 1 113 113 THR N N 15 116.959 0.400 . 1 . . . . 131 THR N . 17246 1 1274 . 1 1 114 114 ALA H H 1 8.092 0.020 . 1 . . . . 132 ALA H . 17246 1 1275 . 1 1 114 114 ALA HA H 1 3.775 0.020 . 1 . . . . 132 ALA HA . 17246 1 1276 . 1 1 114 114 ALA HB1 H 1 1.413 0.020 . 1 . . . . 132 ALA HB . 17246 1 1277 . 1 1 114 114 ALA HB2 H 1 1.413 0.020 . 1 . . . . 132 ALA HB . 17246 1 1278 . 1 1 114 114 ALA HB3 H 1 1.413 0.020 . 1 . . . . 132 ALA HB . 17246 1 1279 . 1 1 114 114 ALA C C 13 177.110 0.400 . 1 . . . . 132 ALA C . 17246 1 1280 . 1 1 114 114 ALA CA C 13 55.247 0.400 . 1 . . . . 132 ALA CA . 17246 1 1281 . 1 1 114 114 ALA CB C 13 19.111 0.400 . 1 . . . . 132 ALA CB . 17246 1 1282 . 1 1 114 114 ALA N N 15 125.534 0.400 . 1 . . . . 132 ALA N . 17246 1 1283 . 1 1 115 115 ASN H H 1 8.571 0.020 . 1 . . . . 133 ASN H . 17246 1 1284 . 1 1 115 115 ASN HA H 1 4.735 0.020 . 1 . . . . 133 ASN HA . 17246 1 1285 . 1 1 115 115 ASN HB2 H 1 2.988 0.020 . 2 . . . . 133 ASN HB2 . 17246 1 1286 . 1 1 115 115 ASN HB3 H 1 2.468 0.020 . 2 . . . . 133 ASN HB3 . 17246 1 1287 . 1 1 115 115 ASN HD21 H 1 6.631 0.020 . 2 . . . . 133 ASN HD21 . 17246 1 1288 . 1 1 115 115 ASN HD22 H 1 7.282 0.020 . 2 . . . . 133 ASN HD22 . 17246 1 1289 . 1 1 115 115 ASN C C 13 174.374 0.400 . 1 . . . . 133 ASN C . 17246 1 1290 . 1 1 115 115 ASN CA C 13 51.883 0.400 . 1 . . . . 133 ASN CA . 17246 1 1291 . 1 1 115 115 ASN CB C 13 39.257 0.400 . 1 . . . . 133 ASN CB . 17246 1 1292 . 1 1 115 115 ASN N N 15 112.358 0.400 . 1 . . . . 133 ASN N . 17246 1 1293 . 1 1 115 115 ASN ND2 N 15 112.464 0.400 . 1 . . . . 133 ASN ND2 . 17246 1 1294 . 1 1 116 116 LEU H H 1 6.966 0.020 . 1 . . . . 134 LEU H . 17246 1 1295 . 1 1 116 116 LEU HA H 1 4.247 0.020 . 1 . . . . 134 LEU HA . 17246 1 1296 . 1 1 116 116 LEU HB2 H 1 1.372 0.020 . 2 . . . . 134 LEU HB2 . 17246 1 1297 . 1 1 116 116 LEU HB3 H 1 1.002 0.020 . 2 . . . . 134 LEU HB3 . 17246 1 1298 . 1 1 116 116 LEU HD11 H 1 0.236 0.020 . 2 . . . . 134 LEU HD1 . 17246 1 1299 . 1 1 116 116 LEU HD12 H 1 0.236 0.020 . 2 . . . . 134 LEU HD1 . 17246 1 1300 . 1 1 116 116 LEU HD13 H 1 0.236 0.020 . 2 . . . . 134 LEU HD1 . 17246 1 1301 . 1 1 116 116 LEU HD21 H 1 -0.380 0.020 . 2 . . . . 134 LEU HD2 . 17246 1 1302 . 1 1 116 116 LEU HD22 H 1 -0.380 0.020 . 2 . . . . 134 LEU HD2 . 17246 1 1303 . 1 1 116 116 LEU HD23 H 1 -0.380 0.020 . 2 . . . . 134 LEU HD2 . 17246 1 1304 . 1 1 116 116 LEU HG H 1 1.021 0.020 . 1 . . . . 134 LEU HG . 17246 1 1305 . 1 1 116 116 LEU CA C 13 52.151 0.400 . 1 . . . . 134 LEU CA . 17246 1 1306 . 1 1 116 116 LEU CB C 13 41.406 0.400 . 1 . . . . 134 LEU CB . 17246 1 1307 . 1 1 116 116 LEU CD1 C 13 23.252 0.400 . 1 . . . . 134 LEU CD1 . 17246 1 1308 . 1 1 116 116 LEU CD2 C 13 25.688 0.400 . 1 . . . . 134 LEU CD2 . 17246 1 1309 . 1 1 116 116 LEU CG C 13 26.189 0.400 . 1 . . . . 134 LEU CG . 17246 1 1310 . 1 1 116 116 LEU N N 15 120.121 0.400 . 1 . . . . 134 LEU N . 17246 1 1311 . 1 1 117 117 PRO HA H 1 4.473 0.020 . 1 . . . . 135 PRO HA . 17246 1 1312 . 1 1 117 117 PRO HB2 H 1 2.280 0.020 . 2 . . . . 135 PRO HB2 . 17246 1 1313 . 1 1 117 117 PRO HB3 H 1 1.712 0.020 . 2 . . . . 135 PRO HB3 . 17246 1 1314 . 1 1 117 117 PRO HD2 H 1 4.001 0.020 . 2 . . . . 135 PRO HD2 . 17246 1 1315 . 1 1 117 117 PRO HD3 H 1 3.529 0.020 . 2 . . . . 135 PRO HD3 . 17246 1 1316 . 1 1 117 117 PRO HG2 H 1 1.952 0.020 . 2 . . . . 135 PRO HG2 . 17246 1 1317 . 1 1 117 117 PRO HG3 H 1 1.890 0.020 . 2 . . . . 135 PRO HG3 . 17246 1 1318 . 1 1 117 117 PRO C C 13 176.506 0.400 . 1 . . . . 135 PRO C . 17246 1 1319 . 1 1 117 117 PRO CA C 13 61.550 0.400 . 1 . . . . 135 PRO CA . 17246 1 1320 . 1 1 117 117 PRO CB C 13 33.180 0.400 . 1 . . . . 135 PRO CB . 17246 1 1321 . 1 1 117 117 PRO CD C 13 50.789 0.400 . 1 . . . . 135 PRO CD . 17246 1 1322 . 1 1 117 117 PRO CG C 13 27.343 0.400 . 1 . . . . 135 PRO CG . 17246 1 1323 . 1 1 118 118 ALA H H 1 8.357 0.020 . 1 . . . . 136 ALA H . 17246 1 1324 . 1 1 118 118 ALA HA H 1 4.063 0.020 . 1 . . . . 136 ALA HA . 17246 1 1325 . 1 1 118 118 ALA HB1 H 1 1.322 0.020 . 1 . . . . 136 ALA HB . 17246 1 1326 . 1 1 118 118 ALA HB2 H 1 1.322 0.020 . 1 . . . . 136 ALA HB . 17246 1 1327 . 1 1 118 118 ALA HB3 H 1 1.322 0.020 . 1 . . . . 136 ALA HB . 17246 1 1328 . 1 1 118 118 ALA C C 13 176.748 0.400 . 1 . . . . 136 ALA C . 17246 1 1329 . 1 1 118 118 ALA CA C 13 53.886 0.400 . 1 . . . . 136 ALA CA . 17246 1 1330 . 1 1 118 118 ALA CB C 13 18.036 0.400 . 1 . . . . 136 ALA CB . 17246 1 1331 . 1 1 118 118 ALA N N 15 123.890 0.400 . 1 . . . . 136 ALA N . 17246 1 1332 . 1 1 119 119 ALA H H 1 8.058 0.020 . 1 . . . . 137 ALA H . 17246 1 1333 . 1 1 119 119 ALA HA H 1 4.263 0.020 . 1 . . . . 137 ALA HA . 17246 1 1334 . 1 1 119 119 ALA HB1 H 1 1.146 0.020 . 1 . . . . 137 ALA HB . 17246 1 1335 . 1 1 119 119 ALA HB2 H 1 1.146 0.020 . 1 . . . . 137 ALA HB . 17246 1 1336 . 1 1 119 119 ALA HB3 H 1 1.146 0.020 . 1 . . . . 137 ALA HB . 17246 1 1337 . 1 1 119 119 ALA C C 13 174.414 0.400 . 1 . . . . 137 ALA C . 17246 1 1338 . 1 1 119 119 ALA CA C 13 51.524 0.400 . 1 . . . . 137 ALA CA . 17246 1 1339 . 1 1 119 119 ALA CB C 13 19.016 0.400 . 1 . . . . 137 ALA CB . 17246 1 1340 . 1 1 119 119 ALA N N 15 125.590 0.400 . 1 . . . . 137 ALA N . 17246 1 1341 . 1 1 120 120 LYS H H 1 7.664 0.020 . 1 . . . . 138 LYS H . 17246 1 1342 . 1 1 120 120 LYS HA H 1 4.814 0.020 . 1 . . . . 138 LYS HA . 17246 1 1343 . 1 1 120 120 LYS HB2 H 1 1.640 0.020 . 2 . . . . 138 LYS HB2 . 17246 1 1344 . 1 1 120 120 LYS HB3 H 1 1.376 0.020 . 2 . . . . 138 LYS HB3 . 17246 1 1345 . 1 1 120 120 LYS HD2 H 1 1.497 0.020 . 2 . . . . 138 LYS HD2 . 17246 1 1346 . 1 1 120 120 LYS HD3 H 1 1.497 0.020 . 2 . . . . 138 LYS HD3 . 17246 1 1347 . 1 1 120 120 LYS HE2 H 1 2.797 0.020 . 2 . . . . 138 LYS HE2 . 17246 1 1348 . 1 1 120 120 LYS HE3 H 1 2.797 0.020 . 2 . . . . 138 LYS HE3 . 17246 1 1349 . 1 1 120 120 LYS HG2 H 1 1.298 0.020 . 2 . . . . 138 LYS HG2 . 17246 1 1350 . 1 1 120 120 LYS HG3 H 1 1.124 0.020 . 2 . . . . 138 LYS HG3 . 17246 1 1351 . 1 1 120 120 LYS C C 13 174.052 0.400 . 1 . . . . 138 LYS C . 17246 1 1352 . 1 1 120 120 LYS CA C 13 55.996 0.400 . 1 . . . . 138 LYS CA . 17246 1 1353 . 1 1 120 120 LYS CB C 13 34.064 0.400 . 1 . . . . 138 LYS CB . 17246 1 1354 . 1 1 120 120 LYS CD C 13 29.225 0.400 . 1 . . . . 138 LYS CD . 17246 1 1355 . 1 1 120 120 LYS CE C 13 42.103 0.400 . 1 . . . . 138 LYS CE . 17246 1 1356 . 1 1 120 120 LYS CG C 13 25.785 0.400 . 1 . . . . 138 LYS CG . 17246 1 1357 . 1 1 120 120 LYS N N 15 117.233 0.400 . 1 . . . . 138 LYS N . 17246 1 1358 . 1 1 121 121 TYR H H 1 8.924 0.020 . 1 . . . . 139 TYR H . 17246 1 1359 . 1 1 121 121 TYR HA H 1 4.716 0.020 . 1 . . . . 139 TYR HA . 17246 1 1360 . 1 1 121 121 TYR HB2 H 1 3.367 0.020 . 2 . . . . 139 TYR HB2 . 17246 1 1361 . 1 1 121 121 TYR HB3 H 1 2.322 0.020 . 2 . . . . 139 TYR HB3 . 17246 1 1362 . 1 1 121 121 TYR HD1 H 1 6.858 0.020 . 1 . . . . 139 TYR HD1 . 17246 1 1363 . 1 1 121 121 TYR HD2 H 1 6.858 0.020 . 1 . . . . 139 TYR HD2 . 17246 1 1364 . 1 1 121 121 TYR HE1 H 1 6.646 0.020 . 1 . . . . 139 TYR HE1 . 17246 1 1365 . 1 1 121 121 TYR HE2 H 1 6.687 0.020 . 1 . . . . 139 TYR HE2 . 17246 1 1366 . 1 1 121 121 TYR HH H 1 9.895 0.020 . 1 . . . . 139 TYR HH . 17246 1 1367 . 1 1 121 121 TYR C C 13 174.333 0.400 . 1 . . . . 139 TYR C . 17246 1 1368 . 1 1 121 121 TYR CA C 13 57.512 0.400 . 1 . . . . 139 TYR CA . 17246 1 1369 . 1 1 121 121 TYR CB C 13 43.908 0.400 . 1 . . . . 139 TYR CB . 17246 1 1370 . 1 1 121 121 TYR N N 15 119.108 0.400 . 1 . . . . 139 TYR N . 17246 1 1371 . 1 1 122 122 LYS H H 1 8.412 0.020 . 1 . . . . 140 LYS H . 17246 1 1372 . 1 1 122 122 LYS HA H 1 5.166 0.020 . 1 . . . . 140 LYS HA . 17246 1 1373 . 1 1 122 122 LYS HB2 H 1 1.826 0.020 . 2 . . . . 140 LYS HB2 . 17246 1 1374 . 1 1 122 122 LYS HB3 H 1 1.042 0.020 . 2 . . . . 140 LYS HB3 . 17246 1 1375 . 1 1 122 122 LYS HD2 H 1 1.638 0.020 . 2 . . . . 140 LYS HD2 . 17246 1 1376 . 1 1 122 122 LYS HD3 H 1 1.459 0.020 . 2 . . . . 140 LYS HD3 . 17246 1 1377 . 1 1 122 122 LYS HE2 H 1 2.760 0.020 . 2 . . . . 140 LYS HE2 . 17246 1 1378 . 1 1 122 122 LYS HE3 H 1 2.760 0.020 . 2 . . . . 140 LYS HE3 . 17246 1 1379 . 1 1 122 122 LYS HG2 H 1 0.993 0.020 . 2 . . . . 140 LYS HG2 . 17246 1 1380 . 1 1 122 122 LYS HG3 H 1 0.993 0.020 . 2 . . . . 140 LYS HG3 . 17246 1 1381 . 1 1 122 122 LYS CA C 13 54.093 0.400 . 1 . . . . 140 LYS CA . 17246 1 1382 . 1 1 122 122 LYS CB C 13 36.200 0.400 . 1 . . . . 140 LYS CB . 17246 1 1383 . 1 1 122 122 LYS CD C 13 30.122 0.400 . 1 . . . . 140 LYS CD . 17246 1 1384 . 1 1 122 122 LYS CE C 13 42.583 0.400 . 1 . . . . 140 LYS CE . 17246 1 1385 . 1 1 122 122 LYS CG C 13 25.968 0.400 . 1 . . . . 140 LYS CG . 17246 1 1386 . 1 1 122 122 LYS N N 15 118.315 0.400 . 1 . . . . 140 LYS N . 17246 1 1387 . 1 1 123 123 ILE H H 1 8.151 0.020 . 1 . . . . 141 ILE H . 17246 1 1388 . 1 1 123 123 ILE HA H 1 4.288 0.020 . 1 . . . . 141 ILE HA . 17246 1 1389 . 1 1 123 123 ILE HB H 1 1.016 0.020 . 1 . . . . 141 ILE HB . 17246 1 1390 . 1 1 123 123 ILE HD11 H 1 -0.526 0.020 . 1 . . . . 141 ILE HD1 . 17246 1 1391 . 1 1 123 123 ILE HD12 H 1 -0.526 0.020 . 1 . . . . 141 ILE HD1 . 17246 1 1392 . 1 1 123 123 ILE HD13 H 1 -0.526 0.020 . 1 . . . . 141 ILE HD1 . 17246 1 1393 . 1 1 123 123 ILE HG12 H 1 0.056 0.020 . 2 . . . . 141 ILE HG12 . 17246 1 1394 . 1 1 123 123 ILE HG13 H 1 -1.658 0.020 . 2 . . . . 141 ILE HG13 . 17246 1 1395 . 1 1 123 123 ILE HG21 H 1 0.218 0.020 . 1 . . . . 141 ILE HG2 . 17246 1 1396 . 1 1 123 123 ILE HG22 H 1 0.218 0.020 . 1 . . . . 141 ILE HG2 . 17246 1 1397 . 1 1 123 123 ILE HG23 H 1 0.218 0.020 . 1 . . . . 141 ILE HG2 . 17246 1 1398 . 1 1 123 123 ILE C C 13 176.144 0.400 . 1 . . . . 141 ILE C . 17246 1 1399 . 1 1 123 123 ILE CA C 13 59.847 0.400 . 1 . . . . 141 ILE CA . 17246 1 1400 . 1 1 123 123 ILE CB C 13 39.387 0.400 . 1 . . . . 141 ILE CB . 17246 1 1401 . 1 1 123 123 ILE CD1 C 13 13.981 0.400 . 1 . . . . 141 ILE CD1 . 17246 1 1402 . 1 1 123 123 ILE CG1 C 13 24.486 0.400 . 1 . . . . 141 ILE CG1 . 17246 1 1403 . 1 1 123 123 ILE CG2 C 13 18.856 0.400 . 1 . . . . 141 ILE CG2 . 17246 1 1404 . 1 1 123 123 ILE N N 15 117.226 0.400 . 1 . . . . 141 ILE N . 17246 1 1405 . 1 1 124 124 TYR H H 1 9.315 0.020 . 1 . . . . 142 TYR H . 17246 1 1406 . 1 1 124 124 TYR HA H 1 4.297 0.020 . 1 . . . . 142 TYR HA . 17246 1 1407 . 1 1 124 124 TYR HB2 H 1 2.476 0.020 . 2 . . . . 142 TYR HB2 . 17246 1 1408 . 1 1 124 124 TYR HB3 H 1 2.337 0.020 . 2 . . . . 142 TYR HB3 . 17246 1 1409 . 1 1 124 124 TYR HD1 H 1 6.511 0.020 . 1 . . . . 142 TYR HD1 . 17246 1 1410 . 1 1 124 124 TYR HD2 H 1 6.511 0.020 . 1 . . . . 142 TYR HD2 . 17246 1 1411 . 1 1 124 124 TYR HE1 H 1 6.694 0.020 . 1 . . . . 142 TYR HE1 . 17246 1 1412 . 1 1 124 124 TYR HE2 H 1 6.694 0.020 . 1 . . . . 142 TYR HE2 . 17246 1 1413 . 1 1 124 124 TYR CA C 13 58.131 0.400 . 1 . . . . 142 TYR CA . 17246 1 1414 . 1 1 124 124 TYR CB C 13 42.391 0.400 . 1 . . . . 142 TYR CB . 17246 1 1415 . 1 1 124 124 TYR N N 15 126.083 0.400 . 1 . . . . 142 TYR N . 17246 1 1416 . 1 1 125 125 GLU HA H 1 4.141 0.020 . 1 . . . . 143 GLU HA . 17246 1 1417 . 1 1 125 125 GLU HB2 H 1 1.716 0.020 . 2 . . . . 143 GLU HB2 . 17246 1 1418 . 1 1 125 125 GLU HB3 H 1 1.589 0.020 . 2 . . . . 143 GLU HB3 . 17246 1 1419 . 1 1 125 125 GLU HG2 H 1 1.330 0.020 . 2 . . . . 143 GLU HG2 . 17246 1 1420 . 1 1 125 125 GLU HG3 H 1 1.408 0.020 . 2 . . . . 143 GLU HG3 . 17246 1 1421 . 1 1 125 125 GLU CA C 13 54.570 0.400 . 1 . . . . 143 GLU CA . 17246 1 1422 . 1 1 125 125 GLU CB C 13 31.041 0.400 . 1 . . . . 143 GLU CB . 17246 1 1423 . 1 1 125 125 GLU CG C 13 35.336 0.400 . 1 . . . . 143 GLU CG . 17246 1 1424 . 1 1 126 126 ILE H H 1 8.254 0.020 . 1 . . . . 144 ILE H . 17246 1 1425 . 1 1 126 126 ILE HA H 1 4.394 0.020 . 1 . . . . 144 ILE HA . 17246 1 1426 . 1 1 126 126 ILE HB H 1 1.703 0.020 . 1 . . . . 144 ILE HB . 17246 1 1427 . 1 1 126 126 ILE HD11 H 1 0.586 0.020 . 1 . . . . 144 ILE HD1 . 17246 1 1428 . 1 1 126 126 ILE HD12 H 1 0.586 0.020 . 1 . . . . 144 ILE HD1 . 17246 1 1429 . 1 1 126 126 ILE HD13 H 1 0.586 0.020 . 1 . . . . 144 ILE HD1 . 17246 1 1430 . 1 1 126 126 ILE HG12 H 1 1.331 0.020 . 2 . . . . 144 ILE HG12 . 17246 1 1431 . 1 1 126 126 ILE HG13 H 1 0.884 0.020 . 2 . . . . 144 ILE HG13 . 17246 1 1432 . 1 1 126 126 ILE HG21 H 1 0.789 0.020 . 1 . . . . 144 ILE HG2 . 17246 1 1433 . 1 1 126 126 ILE HG22 H 1 0.789 0.020 . 1 . . . . 144 ILE HG2 . 17246 1 1434 . 1 1 126 126 ILE HG23 H 1 0.789 0.020 . 1 . . . . 144 ILE HG2 . 17246 1 1435 . 1 1 126 126 ILE CA C 13 56.698 0.400 . 1 . . . . 144 ILE CA . 17246 1 1436 . 1 1 126 126 ILE CB C 13 35.946 0.400 . 1 . . . . 144 ILE CB . 17246 1 1437 . 1 1 126 126 ILE CD1 C 13 9.643 0.400 . 1 . . . . 144 ILE CD1 . 17246 1 1438 . 1 1 126 126 ILE CG1 C 13 26.468 0.400 . 1 . . . . 144 ILE CG1 . 17246 1 1439 . 1 1 126 126 ILE CG2 C 13 17.718 0.400 . 1 . . . . 144 ILE CG2 . 17246 1 1440 . 1 1 126 126 ILE N N 15 126.291 0.400 . 1 . . . . 144 ILE N . 17246 1 1441 . 1 1 127 127 HIS HA H 1 4.420 0.020 . 1 . . . . 145 HIS HA . 17246 1 1442 . 1 1 127 127 HIS HB2 H 1 3.070 0.020 . 2 . . . . 145 HIS HB2 . 17246 1 1443 . 1 1 127 127 HIS HB3 H 1 3.070 0.020 . 2 . . . . 145 HIS HB3 . 17246 1 1444 . 1 1 127 127 HIS HD2 H 1 6.620 0.020 . 1 . . . . 145 HIS HD2 . 17246 1 1445 . 1 1 127 127 HIS HE1 H 1 7.586 0.020 . 1 . . . . 145 HIS HE1 . 17246 1 1446 . 1 1 128 128 SER HA H 1 4.204 0.020 . 1 . . . . 146 SER HA . 17246 1 1447 . 1 1 128 128 SER HB2 H 1 3.883 0.020 . 2 . . . . 146 SER HB2 . 17246 1 1448 . 1 1 128 128 SER HB3 H 1 3.839 0.020 . 2 . . . . 146 SER HB3 . 17246 1 1449 . 1 1 128 128 SER C C 13 174.655 0.400 . 1 . . . . 146 SER C . 17246 1 1450 . 1 1 128 128 SER CA C 13 60.484 0.400 . 1 . . . . 146 SER CA . 17246 1 1451 . 1 1 128 128 SER CB C 13 62.294 0.400 . 1 . . . . 146 SER CB . 17246 1 1452 . 1 1 129 129 LEU H H 1 6.681 0.020 . 1 . . . . 147 LEU H . 17246 1 1453 . 1 1 129 129 LEU HA H 1 4.594 0.020 . 1 . . . . 147 LEU HA . 17246 1 1454 . 1 1 129 129 LEU HB2 H 1 1.721 0.020 . 2 . . . . 147 LEU HB2 . 17246 1 1455 . 1 1 129 129 LEU HB3 H 1 1.178 0.020 . 2 . . . . 147 LEU HB3 . 17246 1 1456 . 1 1 129 129 LEU HD11 H 1 0.798 0.020 . 2 . . . . 147 LEU HD1 . 17246 1 1457 . 1 1 129 129 LEU HD12 H 1 0.798 0.020 . 2 . . . . 147 LEU HD1 . 17246 1 1458 . 1 1 129 129 LEU HD13 H 1 0.798 0.020 . 2 . . . . 147 LEU HD1 . 17246 1 1459 . 1 1 129 129 LEU HD21 H 1 0.777 0.020 . 2 . . . . 147 LEU HD2 . 17246 1 1460 . 1 1 129 129 LEU HD22 H 1 0.777 0.020 . 2 . . . . 147 LEU HD2 . 17246 1 1461 . 1 1 129 129 LEU HD23 H 1 0.777 0.020 . 2 . . . . 147 LEU HD2 . 17246 1 1462 . 1 1 129 129 LEU HG H 1 1.492 0.020 . 1 . . . . 147 LEU HG . 17246 1 1463 . 1 1 129 129 LEU CA C 13 53.942 0.400 . 1 . . . . 147 LEU CA . 17246 1 1464 . 1 1 129 129 LEU CB C 13 44.272 0.400 . 1 . . . . 147 LEU CB . 17246 1 1465 . 1 1 129 129 LEU CD1 C 13 22.259 0.400 . 1 . . . . 147 LEU CD1 . 17246 1 1466 . 1 1 129 129 LEU CD2 C 13 26.190 0.400 . 1 . . . . 147 LEU CD2 . 17246 1 1467 . 1 1 129 129 LEU CG C 13 26.662 0.400 . 1 . . . . 147 LEU CG . 17246 1 1468 . 1 1 129 129 LEU N N 15 119.056 0.400 . 1 . . . . 147 LEU N . 17246 1 1469 . 1 1 132 132 TYR HA H 1 4.253 0.020 . 1 . . . . 150 TYR HA . 17246 1 1470 . 1 1 132 132 TYR HB2 H 1 2.419 0.020 . 2 . . . . 150 TYR HB2 . 17246 1 1471 . 1 1 132 132 TYR HB3 H 1 3.080 0.020 . 2 . . . . 150 TYR HB3 . 17246 1 1472 . 1 1 132 132 TYR HD1 H 1 6.915 0.020 . 1 . . . . 150 TYR HD1 . 17246 1 1473 . 1 1 132 132 TYR HD2 H 1 6.915 0.020 . 1 . . . . 150 TYR HD2 . 17246 1 1474 . 1 1 132 132 TYR HE1 H 1 6.470 0.020 . 1 . . . . 150 TYR HE1 . 17246 1 1475 . 1 1 132 132 TYR HE2 H 1 6.470 0.020 . 1 . . . . 150 TYR HE2 . 17246 1 1476 . 1 1 132 132 TYR CA C 13 59.035 0.400 . 1 . . . . 150 TYR CA . 17246 1 1477 . 1 1 132 132 TYR CB C 13 38.519 0.400 . 1 . . . . 150 TYR CB . 17246 1 1478 . 1 1 133 133 VAL H H 1 7.625 0.020 . 1 . . . . 151 VAL H . 17246 1 1479 . 1 1 133 133 VAL HA H 1 3.910 0.020 . 1 . . . . 151 VAL HA . 17246 1 1480 . 1 1 133 133 VAL HB H 1 1.721 0.020 . 1 . . . . 151 VAL HB . 17246 1 1481 . 1 1 133 133 VAL HG11 H 1 0.745 0.020 . 2 . . . . 151 VAL HG1 . 17246 1 1482 . 1 1 133 133 VAL HG12 H 1 0.745 0.020 . 2 . . . . 151 VAL HG1 . 17246 1 1483 . 1 1 133 133 VAL HG13 H 1 0.745 0.020 . 2 . . . . 151 VAL HG1 . 17246 1 1484 . 1 1 133 133 VAL C C 13 175.900 0.400 . 1 . . . . 151 VAL C . 17246 1 1485 . 1 1 133 133 VAL CA C 13 61.330 0.400 . 1 . . . . 151 VAL CA . 17246 1 1486 . 1 1 133 133 VAL CB C 13 33.807 0.400 . 1 . . . . 151 VAL CB . 17246 1 1487 . 1 1 133 133 VAL CG1 C 13 20.788 0.400 . 1 . . . . 151 VAL CG1 . 17246 1 1488 . 1 1 134 134 GLY H H 1 8.073 0.020 . 1 . . . . 152 GLY H . 17246 1 1489 . 1 1 134 134 GLY HA2 H 1 3.903 0.020 . 2 . . . . 152 GLY HA2 . 17246 1 1490 . 1 1 134 134 GLY HA3 H 1 3.790 0.020 . 2 . . . . 152 GLY HA3 . 17246 1 1491 . 1 1 134 134 GLY C C 13 174.172 0.400 . 1 . . . . 152 GLY C . 17246 1 1492 . 1 1 134 134 GLY CA C 13 44.533 0.400 . 1 . . . . 152 GLY CA . 17246 1 1493 . 1 1 134 134 GLY N N 15 111.557 0.400 . 1 . . . . 152 GLY N . 17246 1 1494 . 1 1 135 135 GLU H H 1 8.395 0.020 . 1 . . . . 153 GLU H . 17246 1 1495 . 1 1 135 135 GLU HA H 1 4.095 0.020 . 1 . . . . 153 GLU HA . 17246 1 1496 . 1 1 135 135 GLU HB2 H 1 1.989 0.020 . 2 . . . . 153 GLU HB2 . 17246 1 1497 . 1 1 135 135 GLU HB3 H 1 1.877 0.020 . 2 . . . . 153 GLU HB3 . 17246 1 1498 . 1 1 135 135 GLU HG2 H 1 2.212 0.020 . 2 . . . . 153 GLU HG2 . 17246 1 1499 . 1 1 135 135 GLU HG3 H 1 2.212 0.020 . 2 . . . . 153 GLU HG3 . 17246 1 1500 . 1 1 135 135 GLU C C 13 176.546 0.400 . 1 . . . . 153 GLU C . 17246 1 1501 . 1 1 135 135 GLU CA C 13 57.503 0.400 . 1 . . . . 153 GLU CA . 17246 1 1502 . 1 1 135 135 GLU CB C 13 30.035 0.400 . 1 . . . . 153 GLU CB . 17246 1 1503 . 1 1 135 135 GLU CG C 13 36.167 0.400 . 1 . . . . 153 GLU CG . 17246 1 1504 . 1 1 135 135 GLU N N 15 120.371 0.400 . 1 . . . . 153 GLU N . 17246 1 1505 . 1 1 136 136 ASP H H 1 8.421 0.020 . 1 . . . . 154 ASP H . 17246 1 1506 . 1 1 136 136 ASP HA H 1 4.408 0.020 . 1 . . . . 154 ASP HA . 17246 1 1507 . 1 1 136 136 ASP HB2 H 1 2.742 0.020 . 2 . . . . 154 ASP HB2 . 17246 1 1508 . 1 1 136 136 ASP HB3 H 1 2.594 0.020 . 2 . . . . 154 ASP HB3 . 17246 1 1509 . 1 1 136 136 ASP C C 13 176.748 0.400 . 1 . . . . 154 ASP C . 17246 1 1510 . 1 1 136 136 ASP CA C 13 53.899 0.400 . 1 . . . . 154 ASP CA . 17246 1 1511 . 1 1 136 136 ASP CB C 13 40.242 0.400 . 1 . . . . 154 ASP CB . 17246 1 1512 . 1 1 136 136 ASP N N 15 118.126 0.400 . 1 . . . . 154 ASP N . 17246 1 1513 . 1 1 137 137 GLY H H 1 8.124 0.020 . 1 . . . . 155 GLY H . 17246 1 1514 . 1 1 137 137 GLY HA2 H 1 4.027 0.020 . 2 . . . . 155 GLY HA2 . 17246 1 1515 . 1 1 137 137 GLY HA3 H 1 3.507 0.020 . 2 . . . . 155 GLY HA3 . 17246 1 1516 . 1 1 137 137 GLY C C 13 173.971 0.400 . 1 . . . . 155 GLY C . 17246 1 1517 . 1 1 137 137 GLY CA C 13 45.615 0.400 . 1 . . . . 155 GLY CA . 17246 1 1518 . 1 1 137 137 GLY N N 15 108.407 0.400 . 1 . . . . 155 GLY N . 17246 1 1519 . 1 1 138 138 ALA H H 1 7.789 0.020 . 1 . . . . 156 ALA H . 17246 1 1520 . 1 1 138 138 ALA HA H 1 4.373 0.020 . 1 . . . . 156 ALA HA . 17246 1 1521 . 1 1 138 138 ALA HB1 H 1 1.319 0.020 . 1 . . . . 156 ALA HB . 17246 1 1522 . 1 1 138 138 ALA HB2 H 1 1.319 0.020 . 1 . . . . 156 ALA HB . 17246 1 1523 . 1 1 138 138 ALA HB3 H 1 1.319 0.020 . 1 . . . . 156 ALA HB . 17246 1 1524 . 1 1 138 138 ALA C C 13 177.593 0.400 . 1 . . . . 156 ALA C . 17246 1 1525 . 1 1 138 138 ALA CA C 13 52.420 0.400 . 1 . . . . 156 ALA CA . 17246 1 1526 . 1 1 138 138 ALA CB C 13 19.111 0.400 . 1 . . . . 156 ALA CB . 17246 1 1527 . 1 1 138 138 ALA N N 15 123.548 0.400 . 1 . . . . 156 ALA N . 17246 1 1528 . 1 1 139 139 THR H H 1 8.095 0.020 . 1 . . . . 157 THR H . 17246 1 1529 . 1 1 139 139 THR HA H 1 4.464 0.020 . 1 . . . . 157 THR HA . 17246 1 1530 . 1 1 139 139 THR HB H 1 4.294 0.020 . 1 . . . . 157 THR HB . 17246 1 1531 . 1 1 139 139 THR HG21 H 1 1.165 0.020 . 1 . . . . 157 THR HG2 . 17246 1 1532 . 1 1 139 139 THR HG22 H 1 1.165 0.020 . 1 . . . . 157 THR HG2 . 17246 1 1533 . 1 1 139 139 THR HG23 H 1 1.165 0.020 . 1 . . . . 157 THR HG2 . 17246 1 1534 . 1 1 139 139 THR C C 13 174.857 0.400 . 1 . . . . 157 THR C . 17246 1 1535 . 1 1 139 139 THR CA C 13 61.287 0.400 . 1 . . . . 157 THR CA . 17246 1 1536 . 1 1 139 139 THR CB C 13 70.238 0.400 . 1 . . . . 157 THR CB . 17246 1 1537 . 1 1 139 139 THR CG2 C 13 21.713 0.400 . 1 . . . . 157 THR CG2 . 17246 1 1538 . 1 1 139 139 THR N N 15 113.031 0.400 . 1 . . . . 157 THR N . 17246 1 1539 . 1 1 140 140 LEU H H 1 8.663 0.020 . 1 . . . . 158 LEU H . 17246 1 1540 . 1 1 140 140 LEU HA H 1 4.203 0.020 . 1 . . . . 158 LEU HA . 17246 1 1541 . 1 1 140 140 LEU HB2 H 1 1.172 0.020 . 2 . . . . 158 LEU HB2 . 17246 1 1542 . 1 1 140 140 LEU HB3 H 1 1.172 0.020 . 2 . . . . 158 LEU HB3 . 17246 1 1543 . 1 1 140 140 LEU HD11 H 1 0.657 0.020 . 2 . . . . 158 LEU HD1 . 17246 1 1544 . 1 1 140 140 LEU HD12 H 1 0.657 0.020 . 2 . . . . 158 LEU HD1 . 17246 1 1545 . 1 1 140 140 LEU HD13 H 1 0.657 0.020 . 2 . . . . 158 LEU HD1 . 17246 1 1546 . 1 1 140 140 LEU HD21 H 1 0.633 0.020 . 2 . . . . 158 LEU HD2 . 17246 1 1547 . 1 1 140 140 LEU HD22 H 1 0.633 0.020 . 2 . . . . 158 LEU HD2 . 17246 1 1548 . 1 1 140 140 LEU HD23 H 1 0.633 0.020 . 2 . . . . 158 LEU HD2 . 17246 1 1549 . 1 1 140 140 LEU HG H 1 0.658 0.020 . 1 . . . . 158 LEU HG . 17246 1 1550 . 1 1 140 140 LEU C C 13 177.470 0.400 . 1 . . . . 158 LEU C . 17246 1 1551 . 1 1 140 140 LEU CA C 13 55.417 0.400 . 1 . . . . 158 LEU CA . 17246 1 1552 . 1 1 140 140 LEU CB C 13 42.000 0.400 . 1 . . . . 158 LEU CB . 17246 1 1553 . 1 1 140 140 LEU CD1 C 13 25.571 0.400 . 1 . . . . 158 LEU CD1 . 17246 1 1554 . 1 1 140 140 LEU CD2 C 13 23.469 0.400 . 1 . . . . 158 LEU CD2 . 17246 1 1555 . 1 1 140 140 LEU CG C 13 26.772 0.400 . 1 . . . . 158 LEU CG . 17246 1 1556 . 1 1 140 140 LEU N N 15 122.167 0.400 . 1 . . . . 158 LEU N . 17246 1 1557 . 1 1 141 141 THR H H 1 7.914 0.020 . 1 . . . . 159 THR H . 17246 1 1558 . 1 1 141 141 THR HA H 1 4.697 0.020 . 1 . . . . 159 THR HA . 17246 1 1559 . 1 1 141 141 THR HB H 1 4.064 0.020 . 1 . . . . 159 THR HB . 17246 1 1560 . 1 1 141 141 THR HG21 H 1 1.131 0.020 . 1 . . . . 159 THR HG2 . 17246 1 1561 . 1 1 141 141 THR HG22 H 1 1.131 0.020 . 1 . . . . 159 THR HG2 . 17246 1 1562 . 1 1 141 141 THR HG23 H 1 1.131 0.020 . 1 . . . . 159 THR HG2 . 17246 1 1563 . 1 1 141 141 THR CA C 13 63.295 0.400 . 1 . . . . 159 THR CA . 17246 1 1564 . 1 1 141 141 THR CB C 13 69.132 0.400 . 1 . . . . 159 THR CB . 17246 1 1565 . 1 1 141 141 THR CG2 C 13 21.717 0.400 . 1 . . . . 159 THR CG2 . 17246 1 1566 . 1 1 141 141 THR N N 15 113.457 0.400 . 1 . . . . 159 THR N . 17246 1 1567 . 1 1 142 142 GLY C C 13 173.770 0.400 . 1 . . . . 160 GLY C . 17246 1 1568 . 1 1 142 142 GLY CA C 13 45.525 0.400 . 1 . . . . 160 GLY CA . 17246 1 1569 . 1 1 143 143 SER H H 1 7.902 0.020 . 1 . . . . 161 SER H . 17246 1 1570 . 1 1 143 143 SER HA H 1 3.754 0.020 . 1 . . . . 161 SER HA . 17246 1 1571 . 1 1 143 143 SER HB2 H 1 3.798 0.020 . 2 . . . . 161 SER HB2 . 17246 1 1572 . 1 1 143 143 SER HB3 H 1 3.798 0.020 . 2 . . . . 161 SER HB3 . 17246 1 1573 . 1 1 143 143 SER C C 13 173.690 0.400 . 1 . . . . 161 SER C . 17246 1 1574 . 1 1 143 143 SER CA C 13 57.882 0.400 . 1 . . . . 161 SER CA . 17246 1 1575 . 1 1 143 143 SER CB C 13 64.896 0.400 . 1 . . . . 161 SER CB . 17246 1 1576 . 1 1 143 143 SER N N 15 115.983 0.400 . 1 . . . . 161 SER N . 17246 1 1577 . 1 1 144 144 LYS H H 1 8.392 0.020 . 1 . . . . 162 LYS H . 17246 1 1578 . 1 1 144 144 LYS HA H 1 4.247 0.020 . 1 . . . . 162 LYS HA . 17246 1 1579 . 1 1 144 144 LYS HB2 H 1 1.662 0.020 . 2 . . . . 162 LYS HB2 . 17246 1 1580 . 1 1 144 144 LYS HB3 H 1 1.662 0.020 . 2 . . . . 162 LYS HB3 . 17246 1 1581 . 1 1 144 144 LYS HD2 H 1 1.422 0.020 . 2 . . . . 162 LYS HD2 . 17246 1 1582 . 1 1 144 144 LYS HD3 H 1 1.422 0.020 . 2 . . . . 162 LYS HD3 . 17246 1 1583 . 1 1 144 144 LYS HE2 H 1 2.711 0.020 . 2 . . . . 162 LYS HE2 . 17246 1 1584 . 1 1 144 144 LYS HE3 H 1 2.711 0.020 . 2 . . . . 162 LYS HE3 . 17246 1 1585 . 1 1 144 144 LYS HG2 H 1 0.958 0.020 . 2 . . . . 162 LYS HG2 . 17246 1 1586 . 1 1 144 144 LYS HG3 H 1 0.958 0.020 . 2 . . . . 162 LYS HG3 . 17246 1 1587 . 1 1 144 144 LYS C C 13 175.742 0.400 . 1 . . . . 162 LYS C . 17246 1 1588 . 1 1 144 144 LYS CA C 13 56.225 0.400 . 1 . . . . 162 LYS CA . 17246 1 1589 . 1 1 144 144 LYS CB C 13 33.168 0.400 . 1 . . . . 162 LYS CB . 17246 1 1590 . 1 1 144 144 LYS CD C 13 29.485 0.400 . 1 . . . . 162 LYS CD . 17246 1 1591 . 1 1 144 144 LYS CE C 13 42.103 0.400 . 1 . . . . 162 LYS CE . 17246 1 1592 . 1 1 144 144 LYS CG C 13 24.978 0.400 . 1 . . . . 162 LYS CG . 17246 1 1593 . 1 1 144 144 LYS N N 15 122.576 0.400 . 1 . . . . 162 LYS N . 17246 1 1594 . 1 1 145 145 ALA H H 1 8.365 0.020 . 1 . . . . 163 ALA H . 17246 1 1595 . 1 1 145 145 ALA HA H 1 4.506 0.020 . 1 . . . . 163 ALA HA . 17246 1 1596 . 1 1 145 145 ALA HB1 H 1 1.104 0.020 . 1 . . . . 163 ALA HB . 17246 1 1597 . 1 1 145 145 ALA HB2 H 1 1.104 0.020 . 1 . . . . 163 ALA HB . 17246 1 1598 . 1 1 145 145 ALA HB3 H 1 1.104 0.020 . 1 . . . . 163 ALA HB . 17246 1 1599 . 1 1 145 145 ALA C C 13 176.587 0.400 . 1 . . . . 163 ALA C . 17246 1 1600 . 1 1 145 145 ALA CA C 13 51.536 0.400 . 1 . . . . 163 ALA CA . 17246 1 1601 . 1 1 145 145 ALA CB C 13 19.693 0.400 . 1 . . . . 163 ALA CB . 17246 1 1602 . 1 1 145 145 ALA N N 15 127.244 0.400 . 1 . . . . 163 ALA N . 17246 1 1603 . 1 1 146 146 VAL H H 1 8.198 0.020 . 1 . . . . 164 VAL H . 17246 1 1604 . 1 1 146 146 VAL HA H 1 4.486 0.020 . 1 . . . . 164 VAL HA . 17246 1 1605 . 1 1 146 146 VAL HB H 1 2.028 0.020 . 1 . . . . 164 VAL HB . 17246 1 1606 . 1 1 146 146 VAL HG11 H 1 0.937 0.020 . 2 . . . . 164 VAL HG1 . 17246 1 1607 . 1 1 146 146 VAL HG12 H 1 0.937 0.020 . 2 . . . . 164 VAL HG1 . 17246 1 1608 . 1 1 146 146 VAL HG13 H 1 0.937 0.020 . 2 . . . . 164 VAL HG1 . 17246 1 1609 . 1 1 146 146 VAL HG21 H 1 0.812 0.020 . 2 . . . . 164 VAL HG2 . 17246 1 1610 . 1 1 146 146 VAL HG22 H 1 0.812 0.020 . 2 . . . . 164 VAL HG2 . 17246 1 1611 . 1 1 146 146 VAL HG23 H 1 0.812 0.020 . 2 . . . . 164 VAL HG2 . 17246 1 1612 . 1 1 146 146 VAL CA C 13 59.667 0.400 . 1 . . . . 164 VAL CA . 17246 1 1613 . 1 1 146 146 VAL CB C 13 33.381 0.400 . 1 . . . . 164 VAL CB . 17246 1 1614 . 1 1 146 146 VAL CG1 C 13 20.809 0.400 . 1 . . . . 164 VAL CG1 . 17246 1 1615 . 1 1 146 146 VAL CG2 C 13 20.537 0.400 . 1 . . . . 164 VAL CG2 . 17246 1 1616 . 1 1 146 146 VAL N N 15 120.303 0.400 . 1 . . . . 164 VAL N . 17246 1 1617 . 1 1 147 147 PRO HA H 1 4.198 0.020 . 1 . . . . 165 PRO HA . 17246 1 1618 . 1 1 147 147 PRO HB2 H 1 1.107 0.020 . 2 . . . . 165 PRO HB2 . 17246 1 1619 . 1 1 147 147 PRO HB3 H 1 0.825 0.020 . 2 . . . . 165 PRO HB3 . 17246 1 1620 . 1 1 147 147 PRO HD2 H 1 3.786 0.020 . 2 . . . . 165 PRO HD2 . 17246 1 1621 . 1 1 147 147 PRO HD3 H 1 3.662 0.020 . 2 . . . . 165 PRO HD3 . 17246 1 1622 . 1 1 147 147 PRO HG2 H 1 1.864 0.020 . 2 . . . . 165 PRO HG2 . 17246 1 1623 . 1 1 147 147 PRO HG3 H 1 1.624 0.020 . 2 . . . . 165 PRO HG3 . 17246 1 1624 . 1 1 147 147 PRO CA C 13 62.886 0.400 . 1 . . . . 165 PRO CA . 17246 1 1625 . 1 1 147 147 PRO CB C 13 30.798 0.400 . 1 . . . . 165 PRO CB . 17246 1 1626 . 1 1 147 147 PRO CD C 13 50.986 0.400 . 1 . . . . 165 PRO CD . 17246 1 1627 . 1 1 147 147 PRO CG C 13 28.126 0.400 . 1 . . . . 165 PRO CG . 17246 1 1628 . 1 1 148 148 ILE H H 1 8.146 0.020 . 1 . . . . 166 ILE H . 17246 1 1629 . 1 1 148 148 ILE HA H 1 3.967 0.020 . 1 . . . . 166 ILE HA . 17246 1 1630 . 1 1 148 148 ILE HB H 1 1.424 0.020 . 1 . . . . 166 ILE HB . 17246 1 1631 . 1 1 148 148 ILE HD11 H 1 0.457 0.020 . 1 . . . . 166 ILE HD1 . 17246 1 1632 . 1 1 148 148 ILE HD12 H 1 0.457 0.020 . 1 . . . . 166 ILE HD1 . 17246 1 1633 . 1 1 148 148 ILE HD13 H 1 0.457 0.020 . 1 . . . . 166 ILE HD1 . 17246 1 1634 . 1 1 148 148 ILE HG12 H 1 1.522 0.020 . 2 . . . . 166 ILE HG12 . 17246 1 1635 . 1 1 148 148 ILE HG13 H 1 0.874 0.020 . 2 . . . . 166 ILE HG13 . 17246 1 1636 . 1 1 148 148 ILE HG21 H 1 0.486 0.020 . 1 . . . . 166 ILE HG2 . 17246 1 1637 . 1 1 148 148 ILE HG22 H 1 0.486 0.020 . 1 . . . . 166 ILE HG2 . 17246 1 1638 . 1 1 148 148 ILE HG23 H 1 0.486 0.020 . 1 . . . . 166 ILE HG2 . 17246 1 1639 . 1 1 148 148 ILE C C 13 174.615 0.400 . 1 . . . . 166 ILE C . 17246 1 1640 . 1 1 148 148 ILE CA C 13 60.037 0.400 . 1 . . . . 166 ILE CA . 17246 1 1641 . 1 1 148 148 ILE CB C 13 40.010 0.400 . 1 . . . . 166 ILE CB . 17246 1 1642 . 1 1 148 148 ILE CD1 C 13 14.178 0.400 . 1 . . . . 166 ILE CD1 . 17246 1 1643 . 1 1 148 148 ILE CG1 C 13 27.681 0.400 . 1 . . . . 166 ILE CG1 . 17246 1 1644 . 1 1 148 148 ILE CG2 C 13 17.165 0.400 . 1 . . . . 166 ILE CG2 . 17246 1 1645 . 1 1 148 148 ILE N N 15 123.018 0.400 . 1 . . . . 166 ILE N . 17246 1 1646 . 1 1 149 149 GLU H H 1 8.217 0.020 . 1 . . . . 167 GLU H . 17246 1 1647 . 1 1 149 149 GLU HA H 1 4.735 0.020 . 1 . . . . 167 GLU HA . 17246 1 1648 . 1 1 149 149 GLU HB2 H 1 1.857 0.020 . 2 . . . . 167 GLU HB2 . 17246 1 1649 . 1 1 149 149 GLU HB3 H 1 1.733 0.020 . 2 . . . . 167 GLU HB3 . 17246 1 1650 . 1 1 149 149 GLU HG2 H 1 2.036 0.020 . 2 . . . . 167 GLU HG2 . 17246 1 1651 . 1 1 149 149 GLU HG3 H 1 2.036 0.020 . 2 . . . . 167 GLU HG3 . 17246 1 1652 . 1 1 149 149 GLU C C 13 175.098 0.400 . 1 . . . . 167 GLU C . 17246 1 1653 . 1 1 149 149 GLU CA C 13 55.334 0.400 . 1 . . . . 167 GLU CA . 17246 1 1654 . 1 1 149 149 GLU CB C 13 30.930 0.400 . 1 . . . . 167 GLU CB . 17246 1 1655 . 1 1 149 149 GLU CG C 13 35.897 0.400 . 1 . . . . 167 GLU CG . 17246 1 1656 . 1 1 149 149 GLU N N 15 125.856 0.400 . 1 . . . . 167 GLU N . 17246 1 1657 . 1 1 150 150 ILE H H 1 8.493 0.020 . 1 . . . . 168 ILE H . 17246 1 1658 . 1 1 150 150 ILE HA H 1 4.514 0.020 . 1 . . . . 168 ILE HA . 17246 1 1659 . 1 1 150 150 ILE HB H 1 1.292 0.020 . 1 . . . . 168 ILE HB . 17246 1 1660 . 1 1 150 150 ILE HD11 H 1 0.567 0.020 . 1 . . . . 168 ILE HD1 . 17246 1 1661 . 1 1 150 150 ILE HD12 H 1 0.567 0.020 . 1 . . . . 168 ILE HD1 . 17246 1 1662 . 1 1 150 150 ILE HD13 H 1 0.567 0.020 . 1 . . . . 168 ILE HD1 . 17246 1 1663 . 1 1 150 150 ILE HG12 H 1 1.288 0.020 . 2 . . . . 168 ILE HG12 . 17246 1 1664 . 1 1 150 150 ILE HG13 H 1 0.708 0.020 . 2 . . . . 168 ILE HG13 . 17246 1 1665 . 1 1 150 150 ILE HG21 H 1 0.444 0.020 . 1 . . . . 168 ILE HG2 . 17246 1 1666 . 1 1 150 150 ILE HG22 H 1 0.444 0.020 . 1 . . . . 168 ILE HG2 . 17246 1 1667 . 1 1 150 150 ILE HG23 H 1 0.444 0.020 . 1 . . . . 168 ILE HG2 . 17246 1 1668 . 1 1 150 150 ILE C C 13 171.678 0.400 . 1 . . . . 168 ILE C . 17246 1 1669 . 1 1 150 150 ILE CA C 13 59.135 0.400 . 1 . . . . 168 ILE CA . 17246 1 1670 . 1 1 150 150 ILE CB C 13 42.481 0.400 . 1 . . . . 168 ILE CB . 17246 1 1671 . 1 1 150 150 ILE CD1 C 13 15.067 0.400 . 1 . . . . 168 ILE CD1 . 17246 1 1672 . 1 1 150 150 ILE CG1 C 13 27.820 0.400 . 1 . . . . 168 ILE CG1 . 17246 1 1673 . 1 1 150 150 ILE CG2 C 13 16.282 0.400 . 1 . . . . 168 ILE CG2 . 17246 1 1674 . 1 1 150 150 ILE N N 15 122.487 0.400 . 1 . . . . 168 ILE N . 17246 1 1675 . 1 1 151 151 GLU H H 1 7.982 0.020 . 1 . . . . 169 GLU H . 17246 1 1676 . 1 1 151 151 GLU HA H 1 4.987 0.020 . 1 . . . . 169 GLU HA . 17246 1 1677 . 1 1 151 151 GLU HB2 H 1 1.841 0.020 . 2 . . . . 169 GLU HB2 . 17246 1 1678 . 1 1 151 151 GLU HB3 H 1 1.703 0.020 . 2 . . . . 169 GLU HB3 . 17246 1 1679 . 1 1 151 151 GLU HG2 H 1 1.950 0.020 . 2 . . . . 169 GLU HG2 . 17246 1 1680 . 1 1 151 151 GLU HG3 H 1 1.950 0.020 . 2 . . . . 169 GLU HG3 . 17246 1 1681 . 1 1 151 151 GLU C C 13 173.810 0.400 . 1 . . . . 169 GLU C . 17246 1 1682 . 1 1 151 151 GLU CA C 13 54.658 0.400 . 1 . . . . 169 GLU CA . 17246 1 1683 . 1 1 151 151 GLU CB C 13 31.736 0.400 . 1 . . . . 169 GLU CB . 17246 1 1684 . 1 1 151 151 GLU CG C 13 36.207 0.400 . 1 . . . . 169 GLU CG . 17246 1 1685 . 1 1 151 151 GLU N N 15 126.128 0.400 . 1 . . . . 169 GLU N . 17246 1 1686 . 1 1 152 152 LEU H H 1 8.104 0.020 . 1 . . . . 170 LEU H . 17246 1 1687 . 1 1 152 152 LEU HA H 1 4.660 0.020 . 1 . . . . 170 LEU HA . 17246 1 1688 . 1 1 152 152 LEU HB2 H 1 1.775 0.020 . 2 . . . . 170 LEU HB2 . 17246 1 1689 . 1 1 152 152 LEU HB3 H 1 1.559 0.020 . 2 . . . . 170 LEU HB3 . 17246 1 1690 . 1 1 152 152 LEU HD11 H 1 0.830 0.020 . 2 . . . . 170 LEU HD1 . 17246 1 1691 . 1 1 152 152 LEU HD12 H 1 0.830 0.020 . 2 . . . . 170 LEU HD1 . 17246 1 1692 . 1 1 152 152 LEU HD13 H 1 0.830 0.020 . 2 . . . . 170 LEU HD1 . 17246 1 1693 . 1 1 152 152 LEU HD21 H 1 0.878 0.020 . 2 . . . . 170 LEU HD2 . 17246 1 1694 . 1 1 152 152 LEU HD22 H 1 0.878 0.020 . 2 . . . . 170 LEU HD2 . 17246 1 1695 . 1 1 152 152 LEU HD23 H 1 0.878 0.020 . 2 . . . . 170 LEU HD2 . 17246 1 1696 . 1 1 152 152 LEU HG H 1 1.762 0.020 . 1 . . . . 170 LEU HG . 17246 1 1697 . 1 1 152 152 LEU C C 13 176.144 0.400 . 1 . . . . 170 LEU C . 17246 1 1698 . 1 1 152 152 LEU CA C 13 51.280 0.400 . 1 . . . . 170 LEU CA . 17246 1 1699 . 1 1 152 152 LEU CB C 13 42.839 0.400 . 1 . . . . 170 LEU CB . 17246 1 1700 . 1 1 152 152 LEU CD1 C 13 23.479 0.400 . 1 . . . . 170 LEU CD1 . 17246 1 1701 . 1 1 152 152 LEU CD2 C 13 27.112 0.400 . 1 . . . . 170 LEU CD2 . 17246 1 1702 . 1 1 152 152 LEU CG C 13 27.521 0.400 . 1 . . . . 170 LEU CG . 17246 1 1703 . 1 1 152 152 LEU N N 15 120.279 0.400 . 1 . . . . 170 LEU N . 17246 1 1704 . 1 1 153 153 PRO HA H 1 4.272 0.020 . 1 . . . . 171 PRO HA . 17246 1 1705 . 1 1 153 153 PRO HB2 H 1 2.319 0.020 . 2 . . . . 171 PRO HB2 . 17246 1 1706 . 1 1 153 153 PRO HB3 H 1 2.085 0.020 . 2 . . . . 171 PRO HB3 . 17246 1 1707 . 1 1 153 153 PRO HD2 H 1 3.839 0.020 . 2 . . . . 171 PRO HD2 . 17246 1 1708 . 1 1 153 153 PRO HD3 H 1 3.317 0.020 . 2 . . . . 171 PRO HD3 . 17246 1 1709 . 1 1 153 153 PRO HG2 H 1 2.042 0.020 . 2 . . . . 171 PRO HG2 . 17246 1 1710 . 1 1 153 153 PRO HG3 H 1 1.921 0.020 . 2 . . . . 171 PRO HG3 . 17246 1 1711 . 1 1 153 153 PRO C C 13 175.339 0.400 . 1 . . . . 171 PRO C . 17246 1 1712 . 1 1 153 153 PRO CA C 13 62.979 0.400 . 1 . . . . 171 PRO CA . 17246 1 1713 . 1 1 153 153 PRO CB C 13 34.742 0.400 . 1 . . . . 171 PRO CB . 17246 1 1714 . 1 1 153 153 PRO CD C 13 50.074 0.400 . 1 . . . . 171 PRO CD . 17246 1 1715 . 1 1 153 153 PRO CG C 13 24.411 0.400 . 1 . . . . 171 PRO CG . 17246 1 1716 . 1 1 154 154 LEU H H 1 8.664 0.020 . 1 . . . . 172 LEU H . 17246 1 1717 . 1 1 154 154 LEU HA H 1 4.512 0.020 . 1 . . . . 172 LEU HA . 17246 1 1718 . 1 1 154 154 LEU HB2 H 1 1.737 0.020 . 2 . . . . 172 LEU HB2 . 17246 1 1719 . 1 1 154 154 LEU HB3 H 1 1.358 0.020 . 2 . . . . 172 LEU HB3 . 17246 1 1720 . 1 1 154 154 LEU HD11 H 1 0.800 0.020 . 2 . . . . 172 LEU HD1 . 17246 1 1721 . 1 1 154 154 LEU HD12 H 1 0.800 0.020 . 2 . . . . 172 LEU HD1 . 17246 1 1722 . 1 1 154 154 LEU HD13 H 1 0.800 0.020 . 2 . . . . 172 LEU HD1 . 17246 1 1723 . 1 1 154 154 LEU HD21 H 1 0.800 0.020 . 2 . . . . 172 LEU HD2 . 17246 1 1724 . 1 1 154 154 LEU HD22 H 1 0.800 0.020 . 2 . . . . 172 LEU HD2 . 17246 1 1725 . 1 1 154 154 LEU HD23 H 1 0.800 0.020 . 2 . . . . 172 LEU HD2 . 17246 1 1726 . 1 1 154 154 LEU HG H 1 1.683 0.020 . 1 . . . . 172 LEU HG . 17246 1 1727 . 1 1 154 154 LEU C C 13 174.857 0.400 . 1 . . . . 172 LEU C . 17246 1 1728 . 1 1 154 154 LEU CA C 13 53.798 0.400 . 1 . . . . 172 LEU CA . 17246 1 1729 . 1 1 154 154 LEU CB C 13 41.317 0.400 . 1 . . . . 172 LEU CB . 17246 1 1730 . 1 1 154 154 LEU CD1 C 13 25.257 0.400 . 1 . . . . 172 LEU CD1 . 17246 1 1731 . 1 1 154 154 LEU CG C 13 28.099 0.400 . 1 . . . . 172 LEU CG . 17246 1 1732 . 1 1 154 154 LEU N N 15 124.554 0.400 . 1 . . . . 172 LEU N . 17246 1 1733 . 1 1 155 155 ASN H H 1 8.258 0.020 . 1 . . . . 173 ASN H . 17246 1 1734 . 1 1 155 155 ASN HA H 1 4.132 0.020 . 1 . . . . 173 ASN HA . 17246 1 1735 . 1 1 155 155 ASN HB2 H 1 2.824 0.020 . 2 . . . . 173 ASN HB2 . 17246 1 1736 . 1 1 155 155 ASN HB3 H 1 2.782 0.020 . 2 . . . . 173 ASN HB3 . 17246 1 1737 . 1 1 155 155 ASN HD21 H 1 7.511 0.020 . 2 . . . . 173 ASN HD21 . 17246 1 1738 . 1 1 155 155 ASN HD22 H 1 6.976 0.020 . 2 . . . . 173 ASN HD22 . 17246 1 1739 . 1 1 155 155 ASN C C 13 174.293 0.400 . 1 . . . . 173 ASN C . 17246 1 1740 . 1 1 155 155 ASN CA C 13 54.892 0.400 . 1 . . . . 173 ASN CA . 17246 1 1741 . 1 1 155 155 ASN CB C 13 37.914 0.400 . 1 . . . . 173 ASN CB . 17246 1 1742 . 1 1 155 155 ASN N N 15 120.487 0.400 . 1 . . . . 173 ASN N . 17246 1 1743 . 1 1 155 155 ASN ND2 N 15 113.868 0.400 . 1 . . . . 173 ASN ND2 . 17246 1 1744 . 1 1 156 156 ASP H H 1 8.365 0.020 . 1 . . . . 174 ASP H . 17246 1 1745 . 1 1 156 156 ASP HA H 1 4.432 0.020 . 1 . . . . 174 ASP HA . 17246 1 1746 . 1 1 156 156 ASP HB2 H 1 2.704 0.020 . 2 . . . . 174 ASP HB2 . 17246 1 1747 . 1 1 156 156 ASP HB3 H 1 2.704 0.020 . 2 . . . . 174 ASP HB3 . 17246 1 1748 . 1 1 156 156 ASP C C 13 175.339 0.400 . 1 . . . . 174 ASP C . 17246 1 1749 . 1 1 156 156 ASP CA C 13 54.347 0.400 . 1 . . . . 174 ASP CA . 17246 1 1750 . 1 1 156 156 ASP CB C 13 40.227 0.400 . 1 . . . . 174 ASP CB . 17246 1 1751 . 1 1 156 156 ASP N N 15 119.872 0.400 . 1 . . . . 174 ASP N . 17246 1 1752 . 1 1 157 157 VAL H H 1 8.139 0.020 . 1 . . . . 175 VAL H . 17246 1 1753 . 1 1 157 157 VAL HA H 1 3.842 0.020 . 1 . . . . 175 VAL HA . 17246 1 1754 . 1 1 157 157 VAL HB H 1 2.190 0.020 . 1 . . . . 175 VAL HB . 17246 1 1755 . 1 1 157 157 VAL HG11 H 1 1.018 0.020 . 2 . . . . 175 VAL HG1 . 17246 1 1756 . 1 1 157 157 VAL HG12 H 1 1.018 0.020 . 2 . . . . 175 VAL HG1 . 17246 1 1757 . 1 1 157 157 VAL HG13 H 1 1.018 0.020 . 2 . . . . 175 VAL HG1 . 17246 1 1758 . 1 1 157 157 VAL HG21 H 1 0.812 0.020 . 2 . . . . 175 VAL HG2 . 17246 1 1759 . 1 1 157 157 VAL HG22 H 1 0.812 0.020 . 2 . . . . 175 VAL HG2 . 17246 1 1760 . 1 1 157 157 VAL HG23 H 1 0.812 0.020 . 2 . . . . 175 VAL HG2 . 17246 1 1761 . 1 1 157 157 VAL C C 13 175.299 0.400 . 1 . . . . 175 VAL C . 17246 1 1762 . 1 1 157 157 VAL CA C 13 63.217 0.400 . 1 . . . . 175 VAL CA . 17246 1 1763 . 1 1 157 157 VAL CB C 13 32.363 0.400 . 1 . . . . 175 VAL CB . 17246 1 1764 . 1 1 157 157 VAL CG1 C 13 21.918 0.400 . 1 . . . . 175 VAL CG1 . 17246 1 1765 . 1 1 157 157 VAL CG2 C 13 22.173 0.400 . 1 . . . . 175 VAL CG2 . 17246 1 1766 . 1 1 157 157 VAL N N 15 121.308 0.400 . 1 . . . . 175 VAL N . 17246 1 1767 . 1 1 158 158 VAL H H 1 8.307 0.020 . 1 . . . . 176 VAL H . 17246 1 1768 . 1 1 158 158 VAL HA H 1 4.474 0.020 . 1 . . . . 176 VAL HA . 17246 1 1769 . 1 1 158 158 VAL HB H 1 1.865 0.020 . 1 . . . . 176 VAL HB . 17246 1 1770 . 1 1 158 158 VAL HG11 H 1 0.980 0.020 . 2 . . . . 176 VAL HG1 . 17246 1 1771 . 1 1 158 158 VAL HG12 H 1 0.980 0.020 . 2 . . . . 176 VAL HG1 . 17246 1 1772 . 1 1 158 158 VAL HG13 H 1 0.980 0.020 . 2 . . . . 176 VAL HG1 . 17246 1 1773 . 1 1 158 158 VAL HG21 H 1 0.980 0.020 . 2 . . . . 176 VAL HG2 . 17246 1 1774 . 1 1 158 158 VAL HG22 H 1 0.980 0.020 . 2 . . . . 176 VAL HG2 . 17246 1 1775 . 1 1 158 158 VAL HG23 H 1 0.980 0.020 . 2 . . . . 176 VAL HG2 . 17246 1 1776 . 1 1 158 158 VAL C C 13 174.374 0.400 . 1 . . . . 176 VAL C . 17246 1 1777 . 1 1 158 158 VAL CA C 13 64.877 0.400 . 1 . . . . 176 VAL CA . 17246 1 1778 . 1 1 158 158 VAL CB C 13 32.810 0.400 . 1 . . . . 176 VAL CB . 17246 1 1779 . 1 1 158 158 VAL CG1 C 13 21.482 0.400 . 1 . . . . 176 VAL CG1 . 17246 1 1780 . 1 1 158 158 VAL N N 15 130.600 0.400 . 1 . . . . 176 VAL N . 17246 1 1781 . 1 1 159 159 ASP H H 1 7.510 0.020 . 1 . . . . 177 ASP H . 17246 1 1782 . 1 1 159 159 ASP HA H 1 5.066 0.020 . 1 . . . . 177 ASP HA . 17246 1 1783 . 1 1 159 159 ASP HB2 H 1 2.445 0.020 . 2 . . . . 177 ASP HB2 . 17246 1 1784 . 1 1 159 159 ASP HB3 H 1 2.445 0.020 . 2 . . . . 177 ASP HB3 . 17246 1 1785 . 1 1 159 159 ASP C C 13 173.971 0.400 . 1 . . . . 177 ASP C . 17246 1 1786 . 1 1 159 159 ASP CA C 13 52.121 0.400 . 1 . . . . 177 ASP CA . 17246 1 1787 . 1 1 159 159 ASP CB C 13 41.764 0.400 . 1 . . . . 177 ASP CB . 17246 1 1788 . 1 1 159 159 ASP N N 15 117.329 0.400 . 1 . . . . 177 ASP N . 17246 1 1789 . 1 1 160 160 ALA H H 1 8.210 0.020 . 1 . . . . 178 ALA H . 17246 1 1790 . 1 1 160 160 ALA HA H 1 4.851 0.020 . 1 . . . . 178 ALA HA . 17246 1 1791 . 1 1 160 160 ALA HB1 H 1 1.340 0.020 . 1 . . . . 178 ALA HB . 17246 1 1792 . 1 1 160 160 ALA HB2 H 1 1.340 0.020 . 1 . . . . 178 ALA HB . 17246 1 1793 . 1 1 160 160 ALA HB3 H 1 1.340 0.020 . 1 . . . . 178 ALA HB . 17246 1 1794 . 1 1 160 160 ALA C C 13 177.955 0.400 . 1 . . . . 178 ALA C . 17246 1 1795 . 1 1 160 160 ALA CA C 13 51.227 0.400 . 1 . . . . 178 ALA CA . 17246 1 1796 . 1 1 160 160 ALA CB C 13 22.692 0.400 . 1 . . . . 178 ALA CB . 17246 1 1797 . 1 1 160 160 ALA N N 15 122.740 0.400 . 1 . . . . 178 ALA N . 17246 1 1798 . 1 1 161 161 HIS H H 1 9.197 0.020 . 1 . . . . 179 HIS H . 17246 1 1799 . 1 1 161 161 HIS HA H 1 5.079 0.020 . 1 . . . . 179 HIS HA . 17246 1 1800 . 1 1 161 161 HIS HB2 H 1 2.713 0.020 . 2 . . . . 179 HIS HB2 . 17246 1 1801 . 1 1 161 161 HIS HB3 H 1 2.634 0.020 . 2 . . . . 179 HIS HB3 . 17246 1 1802 . 1 1 161 161 HIS HD2 H 1 7.075 0.020 . 1 . . . . 179 HIS HD2 . 17246 1 1803 . 1 1 161 161 HIS HE1 H 1 7.891 0.020 . 1 . . . . 179 HIS HE1 . 17246 1 1804 . 1 1 161 161 HIS C C 13 174.132 0.400 . 1 . . . . 179 HIS C . 17246 1 1805 . 1 1 161 161 HIS CA C 13 56.628 0.400 . 1 . . . . 179 HIS CA . 17246 1 1806 . 1 1 161 161 HIS CB C 13 34.870 0.400 . 1 . . . . 179 HIS CB . 17246 1 1807 . 1 1 161 161 HIS N N 15 123.235 0.400 . 1 . . . . 179 HIS N . 17246 1 1808 . 1 1 161 161 HIS ND1 N 15 244.138 0.400 . 1 . . . . 179 HIS ND1 . 17246 1 1809 . 1 1 161 161 HIS NE2 N 15 167.440 0.400 . 1 . . . . 179 HIS NE2 . 17246 1 1810 . 1 1 162 162 VAL H H 1 8.715 0.020 . 1 . . . . 180 VAL H . 17246 1 1811 . 1 1 162 162 VAL HA H 1 4.657 0.020 . 1 . . . . 180 VAL HA . 17246 1 1812 . 1 1 162 162 VAL HB H 1 1.757 0.020 . 1 . . . . 180 VAL HB . 17246 1 1813 . 1 1 162 162 VAL HG11 H 1 0.637 0.020 . 2 . . . . 180 VAL HG1 . 17246 1 1814 . 1 1 162 162 VAL HG12 H 1 0.637 0.020 . 2 . . . . 180 VAL HG1 . 17246 1 1815 . 1 1 162 162 VAL HG13 H 1 0.637 0.020 . 2 . . . . 180 VAL HG1 . 17246 1 1816 . 1 1 162 162 VAL HG21 H 1 0.425 0.020 . 2 . . . . 180 VAL HG2 . 17246 1 1817 . 1 1 162 162 VAL HG22 H 1 0.425 0.020 . 2 . . . . 180 VAL HG2 . 17246 1 1818 . 1 1 162 162 VAL HG23 H 1 0.425 0.020 . 2 . . . . 180 VAL HG2 . 17246 1 1819 . 1 1 162 162 VAL C C 13 173.287 0.400 . 1 . . . . 180 VAL C . 17246 1 1820 . 1 1 162 162 VAL CA C 13 59.807 0.400 . 1 . . . . 180 VAL CA . 17246 1 1821 . 1 1 162 162 VAL CB C 13 35.251 0.400 . 1 . . . . 180 VAL CB . 17246 1 1822 . 1 1 162 162 VAL CG1 C 13 21.461 0.400 . 1 . . . . 180 VAL CG1 . 17246 1 1823 . 1 1 162 162 VAL CG2 C 13 20.536 0.400 . 1 . . . . 180 VAL CG2 . 17246 1 1824 . 1 1 162 162 VAL N N 15 116.784 0.400 . 1 . . . . 180 VAL N . 17246 1 1825 . 1 1 163 163 TYR H H 1 8.602 0.020 . 1 . . . . 181 TYR H . 17246 1 1826 . 1 1 163 163 TYR HA H 1 4.987 0.020 . 1 . . . . 181 TYR HA . 17246 1 1827 . 1 1 163 163 TYR HB2 H 1 2.728 0.020 . 2 . . . . 181 TYR HB2 . 17246 1 1828 . 1 1 163 163 TYR HB3 H 1 2.635 0.020 . 2 . . . . 181 TYR HB3 . 17246 1 1829 . 1 1 163 163 TYR HD1 H 1 6.795 0.020 . 1 . . . . 181 TYR HD1 . 17246 1 1830 . 1 1 163 163 TYR HD2 H 1 6.795 0.020 . 1 . . . . 181 TYR HD2 . 17246 1 1831 . 1 1 163 163 TYR HE1 H 1 6.281 0.020 . 1 . . . . 181 TYR HE1 . 17246 1 1832 . 1 1 163 163 TYR HE2 H 1 6.281 0.020 . 1 . . . . 181 TYR HE2 . 17246 1 1833 . 1 1 163 163 TYR C C 13 172.764 0.400 . 1 . . . . 181 TYR C . 17246 1 1834 . 1 1 163 163 TYR CA C 13 54.927 0.400 . 1 . . . . 181 TYR CA . 17246 1 1835 . 1 1 163 163 TYR CB C 13 39.857 0.400 . 1 . . . . 181 TYR CB . 17246 1 1836 . 1 1 163 163 TYR N N 15 122.413 0.400 . 1 . . . . 181 TYR N . 17246 1 1837 . 1 1 164 164 PRO HA H 1 4.312 0.020 . 1 . . . . 182 PRO HA . 17246 1 1838 . 1 1 164 164 PRO HB2 H 1 2.268 0.020 . 2 . . . . 182 PRO HB2 . 17246 1 1839 . 1 1 164 164 PRO HB3 H 1 2.004 0.020 . 2 . . . . 182 PRO HB3 . 17246 1 1840 . 1 1 164 164 PRO HD2 H 1 4.117 0.020 . 2 . . . . 182 PRO HD2 . 17246 1 1841 . 1 1 164 164 PRO HD3 H 1 3.308 0.020 . 2 . . . . 182 PRO HD3 . 17246 1 1842 . 1 1 164 164 PRO HG2 H 1 2.023 0.020 . 2 . . . . 182 PRO HG2 . 17246 1 1843 . 1 1 164 164 PRO HG3 H 1 1.696 0.020 . 2 . . . . 182 PRO HG3 . 17246 1 1844 . 1 1 164 164 PRO C C 13 176.506 0.400 . 1 . . . . 182 PRO C . 17246 1 1845 . 1 1 164 164 PRO CA C 13 62.896 0.400 . 1 . . . . 182 PRO CA . 17246 1 1846 . 1 1 164 164 PRO CB C 13 32.094 0.400 . 1 . . . . 182 PRO CB . 17246 1 1847 . 1 1 164 164 PRO CD C 13 50.382 0.400 . 1 . . . . 182 PRO CD . 17246 1 1848 . 1 1 164 164 PRO CG C 13 27.549 0.400 . 1 . . . . 182 PRO CG . 17246 1 1849 . 1 1 165 165 LYS H H 1 8.619 0.020 . 1 . . . . 183 LYS H . 17246 1 1850 . 1 1 165 165 LYS HA H 1 4.447 0.020 . 1 . . . . 183 LYS HA . 17246 1 1851 . 1 1 165 165 LYS HB2 H 1 1.839 0.020 . 2 . . . . 183 LYS HB2 . 17246 1 1852 . 1 1 165 165 LYS HB3 H 1 1.701 0.020 . 2 . . . . 183 LYS HB3 . 17246 1 1853 . 1 1 165 165 LYS HD2 H 1 1.636 0.020 . 2 . . . . 183 LYS HD2 . 17246 1 1854 . 1 1 165 165 LYS HD3 H 1 1.636 0.020 . 2 . . . . 183 LYS HD3 . 17246 1 1855 . 1 1 165 165 LYS HE2 H 1 2.941 0.020 . 2 . . . . 183 LYS HE2 . 17246 1 1856 . 1 1 165 165 LYS HE3 H 1 2.941 0.020 . 2 . . . . 183 LYS HE3 . 17246 1 1857 . 1 1 165 165 LYS HG2 H 1 1.434 0.020 . 2 . . . . 183 LYS HG2 . 17246 1 1858 . 1 1 165 165 LYS HG3 H 1 1.434 0.020 . 2 . . . . 183 LYS HG3 . 17246 1 1859 . 1 1 165 165 LYS C C 13 175.339 0.400 . 1 . . . . 183 LYS C . 17246 1 1860 . 1 1 165 165 LYS CA C 13 55.527 0.400 . 1 . . . . 183 LYS CA . 17246 1 1861 . 1 1 165 165 LYS CB C 13 33.885 0.400 . 1 . . . . 183 LYS CB . 17246 1 1862 . 1 1 165 165 LYS CD C 13 29.387 0.400 . 1 . . . . 183 LYS CD . 17246 1 1863 . 1 1 165 165 LYS CE C 13 42.097 0.400 . 1 . . . . 183 LYS CE . 17246 1 1864 . 1 1 165 165 LYS CG C 13 24.551 0.400 . 1 . . . . 183 LYS CG . 17246 1 1865 . 1 1 165 165 LYS N N 15 121.902 0.400 . 1 . . . . 183 LYS N . 17246 1 1866 . 1 1 166 166 ASN H H 1 8.476 0.020 . 1 . . . . 184 ASN H . 17246 1 1867 . 1 1 166 166 ASN HA H 1 4.913 0.020 . 1 . . . . 184 ASN HA . 17246 1 1868 . 1 1 166 166 ASN HB2 H 1 2.753 0.020 . 2 . . . . 184 ASN HB2 . 17246 1 1869 . 1 1 166 166 ASN HB3 H 1 2.662 0.020 . 2 . . . . 184 ASN HB3 . 17246 1 1870 . 1 1 166 166 ASN HD21 H 1 7.579 0.020 . 2 . . . . 184 ASN HD21 . 17246 1 1871 . 1 1 166 166 ASN HD22 H 1 7.090 0.020 . 2 . . . . 184 ASN HD22 . 17246 1 1872 . 1 1 166 166 ASN C C 13 175.178 0.400 . 1 . . . . 184 ASN C . 17246 1 1873 . 1 1 166 166 ASN CA C 13 52.836 0.400 . 1 . . . . 184 ASN CA . 17246 1 1874 . 1 1 166 166 ASN CB C 13 39.681 0.400 . 1 . . . . 184 ASN CB . 17246 1 1875 . 1 1 166 166 ASN N N 15 118.654 0.400 . 1 . . . . 184 ASN N . 17246 1 1876 . 1 1 166 166 ASN ND2 N 15 112.968 0.400 . 1 . . . . 184 ASN ND2 . 17246 1 1877 . 1 1 167 167 THR H H 1 8.100 0.020 . 1 . . . . 185 THR H . 17246 1 1878 . 1 1 167 167 THR HA H 1 4.276 0.020 . 1 . . . . 185 THR HA . 17246 1 1879 . 1 1 167 167 THR HB H 1 4.164 0.020 . 1 . . . . 185 THR HB . 17246 1 1880 . 1 1 167 167 THR HG21 H 1 1.122 0.020 . 1 . . . . 185 THR HG2 . 17246 1 1881 . 1 1 167 167 THR HG22 H 1 1.122 0.020 . 1 . . . . 185 THR HG2 . 17246 1 1882 . 1 1 167 167 THR HG23 H 1 1.122 0.020 . 1 . . . . 185 THR HG2 . 17246 1 1883 . 1 1 167 167 THR C C 13 173.971 0.400 . 1 . . . . 185 THR C . 17246 1 1884 . 1 1 167 167 THR CA C 13 61.643 0.400 . 1 . . . . 185 THR CA . 17246 1 1885 . 1 1 167 167 THR CB C 13 69.880 0.400 . 1 . . . . 185 THR CB . 17246 1 1886 . 1 1 167 167 THR CG2 C 13 21.564 0.400 . 1 . . . . 185 THR CG2 . 17246 1 1887 . 1 1 167 167 THR N N 15 113.648 0.400 . 1 . . . . 185 THR N . 17246 1 1888 . 1 1 168 168 GLU H H 1 8.447 0.020 . 1 . . . . 186 GLU H . 17246 1 1889 . 1 1 168 168 GLU HA H 1 4.242 0.020 . 1 . . . . 186 GLU HA . 17246 1 1890 . 1 1 168 168 GLU HB2 H 1 1.980 0.020 . 2 . . . . 186 GLU HB2 . 17246 1 1891 . 1 1 168 168 GLU HB3 H 1 1.877 0.020 . 2 . . . . 186 GLU HB3 . 17246 1 1892 . 1 1 168 168 GLU HG2 H 1 2.199 0.020 . 2 . . . . 186 GLU HG2 . 17246 1 1893 . 1 1 168 168 GLU HG3 H 1 2.199 0.020 . 2 . . . . 186 GLU HG3 . 17246 1 1894 . 1 1 168 168 GLU C C 13 175.943 0.400 . 1 . . . . 186 GLU C . 17246 1 1895 . 1 1 168 168 GLU CA C 13 56.259 0.400 . 1 . . . . 186 GLU CA . 17246 1 1896 . 1 1 168 168 GLU CB C 13 30.661 0.400 . 1 . . . . 186 GLU CB . 17246 1 1897 . 1 1 168 168 GLU CG C 13 36.354 0.400 . 1 . . . . 186 GLU CG . 17246 1 1898 . 1 1 168 168 GLU N N 15 123.054 0.400 . 1 . . . . 186 GLU N . 17246 1 1899 . 1 1 169 169 ALA H H 1 8.390 0.020 . 1 . . . . 187 ALA H . 17246 1 1900 . 1 1 169 169 ALA HA H 1 4.187 0.020 . 1 . . . . 187 ALA HA . 17246 1 1901 . 1 1 169 169 ALA HB1 H 1 1.300 0.020 . 1 . . . . 187 ALA HB . 17246 1 1902 . 1 1 169 169 ALA HB2 H 1 1.300 0.020 . 1 . . . . 187 ALA HB . 17246 1 1903 . 1 1 169 169 ALA HB3 H 1 1.300 0.020 . 1 . . . . 187 ALA HB . 17246 1 1904 . 1 1 169 169 ALA C C 13 177.351 0.400 . 1 . . . . 187 ALA C . 17246 1 1905 . 1 1 169 169 ALA CA C 13 52.509 0.400 . 1 . . . . 187 ALA CA . 17246 1 1906 . 1 1 169 169 ALA CB C 13 19.200 0.400 . 1 . . . . 187 ALA CB . 17246 1 1907 . 1 1 169 169 ALA N N 15 126.182 0.400 . 1 . . . . 187 ALA N . 17246 1 1908 . 1 1 170 170 LYS H H 1 8.290 0.020 . 1 . . . . 188 LYS H . 17246 1 1909 . 1 1 170 170 LYS HA H 1 4.533 0.020 . 1 . . . . 188 LYS HA . 17246 1 1910 . 1 1 170 170 LYS HB2 H 1 1.733 0.020 . 2 . . . . 188 LYS HB2 . 17246 1 1911 . 1 1 170 170 LYS HB3 H 1 1.616 0.020 . 2 . . . . 188 LYS HB3 . 17246 1 1912 . 1 1 170 170 LYS HD2 H 1 1.600 0.020 . 2 . . . . 188 LYS HD2 . 17246 1 1913 . 1 1 170 170 LYS HD3 H 1 1.600 0.020 . 2 . . . . 188 LYS HD3 . 17246 1 1914 . 1 1 170 170 LYS HE2 H 1 2.913 0.020 . 2 . . . . 188 LYS HE2 . 17246 1 1915 . 1 1 170 170 LYS HE3 H 1 2.913 0.020 . 2 . . . . 188 LYS HE3 . 17246 1 1916 . 1 1 170 170 LYS HG2 H 1 1.380 0.020 . 2 . . . . 188 LYS HG2 . 17246 1 1917 . 1 1 170 170 LYS HG3 H 1 1.380 0.020 . 2 . . . . 188 LYS HG3 . 17246 1 1918 . 1 1 170 170 LYS C C 13 174.333 0.400 . 1 . . . . 188 LYS C . 17246 1 1919 . 1 1 170 170 LYS CA C 13 54.032 0.400 . 1 . . . . 188 LYS CA . 17246 1 1920 . 1 1 170 170 LYS CB C 13 32.452 0.400 . 1 . . . . 188 LYS CB . 17246 1 1921 . 1 1 170 170 LYS CD C 13 29.030 0.400 . 1 . . . . 188 LYS CD . 17246 1 1922 . 1 1 170 170 LYS CE C 13 42.161 0.400 . 1 . . . . 188 LYS CE . 17246 1 1923 . 1 1 170 170 LYS CG C 13 24.561 0.400 . 1 . . . . 188 LYS CG . 17246 1 1924 . 1 1 170 170 LYS N N 15 121.948 0.400 . 1 . . . . 188 LYS N . 17246 1 1925 . 1 1 171 171 PRO HA H 1 4.313 0.020 . 1 . . . . 189 PRO HA . 17246 1 1926 . 1 1 171 171 PRO HB2 H 1 2.161 0.020 . 2 . . . . 189 PRO HB2 . 17246 1 1927 . 1 1 171 171 PRO HB3 H 1 1.757 0.020 . 2 . . . . 189 PRO HB3 . 17246 1 1928 . 1 1 171 171 PRO HD2 H 1 3.725 0.020 . 2 . . . . 189 PRO HD2 . 17246 1 1929 . 1 1 171 171 PRO HD3 H 1 3.539 0.020 . 2 . . . . 189 PRO HD3 . 17246 1 1930 . 1 1 171 171 PRO HG2 H 1 1.915 0.020 . 2 . . . . 189 PRO HG2 . 17246 1 1931 . 1 1 171 171 PRO HG3 H 1 1.915 0.020 . 2 . . . . 189 PRO HG3 . 17246 1 1932 . 1 1 171 171 PRO C C 13 176.670 0.400 . 1 . . . . 189 PRO C . 17246 1 1933 . 1 1 171 171 PRO CA C 13 63.100 0.400 . 1 . . . . 189 PRO CA . 17246 1 1934 . 1 1 171 171 PRO CB C 13 32.171 0.400 . 1 . . . . 189 PRO CB . 17246 1 1935 . 1 1 171 171 PRO CD C 13 50.621 0.400 . 1 . . . . 189 PRO CD . 17246 1 1936 . 1 1 171 171 PRO CG C 13 27.343 0.400 . 1 . . . . 189 PRO CG . 17246 1 1937 . 1 1 172 172 LYS H H 1 8.375 0.020 . 1 . . . . 190 LYS H . 17246 1 1938 . 1 1 172 172 LYS HA H 1 4.169 0.020 . 1 . . . . 190 LYS HA . 17246 1 1939 . 1 1 172 172 LYS HB2 H 1 1.636 0.020 . 2 . . . . 190 LYS HB2 . 17246 1 1940 . 1 1 172 172 LYS HB3 H 1 1.636 0.020 . 2 . . . . 190 LYS HB3 . 17246 1 1941 . 1 1 172 172 LYS HD2 H 1 1.581 0.020 . 2 . . . . 190 LYS HD2 . 17246 1 1942 . 1 1 172 172 LYS HD3 H 1 1.581 0.020 . 2 . . . . 190 LYS HD3 . 17246 1 1943 . 1 1 172 172 LYS HE2 H 1 2.896 0.020 . 2 . . . . 190 LYS HE2 . 17246 1 1944 . 1 1 172 172 LYS HE3 H 1 2.896 0.020 . 2 . . . . 190 LYS HE3 . 17246 1 1945 . 1 1 172 172 LYS HG2 H 1 1.365 0.020 . 2 . . . . 190 LYS HG2 . 17246 1 1946 . 1 1 172 172 LYS HG3 H 1 1.311 0.020 . 2 . . . . 190 LYS HG3 . 17246 1 1947 . 1 1 172 172 LYS C C 13 176.426 0.400 . 1 . . . . 190 LYS C . 17246 1 1948 . 1 1 172 172 LYS CA C 13 56.405 0.400 . 1 . . . . 190 LYS CA . 17246 1 1949 . 1 1 172 172 LYS CB C 13 32.721 0.400 . 1 . . . . 190 LYS CB . 17246 1 1950 . 1 1 172 172 LYS CD C 13 28.928 0.400 . 1 . . . . 190 LYS CD . 17246 1 1951 . 1 1 172 172 LYS CE C 13 42.151 0.400 . 1 . . . . 190 LYS CE . 17246 1 1952 . 1 1 172 172 LYS CG C 13 24.807 0.400 . 1 . . . . 190 LYS CG . 17246 1 1953 . 1 1 172 172 LYS N N 15 122.313 0.400 . 1 . . . . 190 LYS N . 17246 1 1954 . 1 1 173 173 ILE H H 1 8.110 0.020 . 1 . . . . 191 ILE H . 17246 1 1955 . 1 1 173 173 ILE HA H 1 4.057 0.020 . 1 . . . . 191 ILE HA . 17246 1 1956 . 1 1 173 173 ILE HB H 1 1.717 0.020 . 1 . . . . 191 ILE HB . 17246 1 1957 . 1 1 173 173 ILE HD11 H 1 0.738 0.020 . 1 . . . . 191 ILE HD1 . 17246 1 1958 . 1 1 173 173 ILE HD12 H 1 0.738 0.020 . 1 . . . . 191 ILE HD1 . 17246 1 1959 . 1 1 173 173 ILE HD13 H 1 0.738 0.020 . 1 . . . . 191 ILE HD1 . 17246 1 1960 . 1 1 173 173 ILE HG12 H 1 1.352 0.020 . 2 . . . . 191 ILE HG12 . 17246 1 1961 . 1 1 173 173 ILE HG13 H 1 1.066 0.020 . 2 . . . . 191 ILE HG13 . 17246 1 1962 . 1 1 173 173 ILE HG21 H 1 0.761 0.020 . 1 . . . . 191 ILE HG2 . 17246 1 1963 . 1 1 173 173 ILE HG22 H 1 0.761 0.020 . 1 . . . . 191 ILE HG2 . 17246 1 1964 . 1 1 173 173 ILE HG23 H 1 0.761 0.020 . 1 . . . . 191 ILE HG2 . 17246 1 1965 . 1 1 173 173 ILE C C 13 175.903 0.400 . 1 . . . . 191 ILE C . 17246 1 1966 . 1 1 173 173 ILE CA C 13 60.926 0.400 . 1 . . . . 191 ILE CA . 17246 1 1967 . 1 1 173 173 ILE CB C 13 38.541 0.400 . 1 . . . . 191 ILE CB . 17246 1 1968 . 1 1 173 173 ILE CD1 C 13 12.647 0.400 . 1 . . . . 191 ILE CD1 . 17246 1 1969 . 1 1 173 173 ILE CG1 C 13 27.118 0.400 . 1 . . . . 191 ILE CG1 . 17246 1 1970 . 1 1 173 173 ILE CG2 C 13 17.382 0.400 . 1 . . . . 191 ILE CG2 . 17246 1 1971 . 1 1 173 173 ILE N N 15 122.626 0.400 . 1 . . . . 191 ILE N . 17246 1 1972 . 1 1 174 174 LEU H H 1 8.298 0.020 . 1 . . . . 192 LEU H . 17246 1 1973 . 1 1 174 174 LEU HA H 1 4.232 0.020 . 1 . . . . 192 LEU HA . 17246 1 1974 . 1 1 174 174 LEU HB2 H 1 1.463 0.020 . 2 . . . . 192 LEU HB2 . 17246 1 1975 . 1 1 174 174 LEU HB3 H 1 1.384 0.020 . 2 . . . . 192 LEU HB3 . 17246 1 1976 . 1 1 174 174 LEU HD11 H 1 0.797 0.020 . 2 . . . . 192 LEU HD1 . 17246 1 1977 . 1 1 174 174 LEU HD12 H 1 0.797 0.020 . 2 . . . . 192 LEU HD1 . 17246 1 1978 . 1 1 174 174 LEU HD13 H 1 0.797 0.020 . 2 . . . . 192 LEU HD1 . 17246 1 1979 . 1 1 174 174 LEU HD21 H 1 0.727 0.020 . 2 . . . . 192 LEU HD2 . 17246 1 1980 . 1 1 174 174 LEU HD22 H 1 0.727 0.020 . 2 . . . . 192 LEU HD2 . 17246 1 1981 . 1 1 174 174 LEU HD23 H 1 0.727 0.020 . 2 . . . . 192 LEU HD2 . 17246 1 1982 . 1 1 174 174 LEU HG H 1 1.468 0.020 . 1 . . . . 192 LEU HG . 17246 1 1983 . 1 1 174 174 LEU C C 13 176.949 0.400 . 1 . . . . 192 LEU C . 17246 1 1984 . 1 1 174 174 LEU CA C 13 54.754 0.400 . 1 . . . . 192 LEU CA . 17246 1 1985 . 1 1 174 174 LEU CB C 13 42.302 0.400 . 1 . . . . 192 LEU CB . 17246 1 1986 . 1 1 174 174 LEU CD1 C 13 24.813 0.400 . 1 . . . . 192 LEU CD1 . 17246 1 1987 . 1 1 174 174 LEU CD2 C 13 23.449 0.400 . 1 . . . . 192 LEU CD2 . 17246 1 1988 . 1 1 174 174 LEU CG C 13 26.957 0.400 . 1 . . . . 192 LEU CG . 17246 1 1989 . 1 1 174 174 LEU N N 15 126.818 0.400 . 1 . . . . 192 LEU N . 17246 1 1990 . 1 1 175 175 GLU H H 1 8.269 0.020 . 1 . . . . 193 GLU H . 17246 1 1991 . 1 1 175 175 GLU HA H 1 4.107 0.020 . 1 . . . . 193 GLU HA . 17246 1 1992 . 1 1 175 175 GLU HB2 H 1 1.807 0.020 . 2 . . . . 193 GLU HB2 . 17246 1 1993 . 1 1 175 175 GLU HB3 H 1 1.738 0.020 . 2 . . . . 193 GLU HB3 . 17246 1 1994 . 1 1 175 175 GLU HG2 H 1 2.094 0.020 . 2 . . . . 193 GLU HG2 . 17246 1 1995 . 1 1 175 175 GLU HG3 H 1 2.035 0.020 . 2 . . . . 193 GLU HG3 . 17246 1 1996 . 1 1 175 175 GLU C C 13 175.964 0.400 . 1 . . . . 193 GLU C . 17246 1 1997 . 1 1 175 175 GLU CA C 13 56.449 0.400 . 1 . . . . 193 GLU CA . 17246 1 1998 . 1 1 175 175 GLU CB C 13 30.386 0.400 . 1 . . . . 193 GLU CB . 17246 1 1999 . 1 1 175 175 GLU CG C 13 36.324 0.400 . 1 . . . . 193 GLU CG . 17246 1 2000 . 1 1 175 175 GLU N N 15 121.826 0.400 . 1 . . . . 193 GLU N . 17246 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17246 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D 1H-15N HSQC' . . . 17246 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 -1.05 0.05 . . . 25 ALA N . 25 ALA H 17246 1 2 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 -0.84 0.04 . . . 26 THR N . 26 THR H 17246 1 3 . 1 1 9 9 VAL N N 15 . 1 1 9 9 VAL H H 1 -0.53 0.03 . . . 27 VAL N . 27 VAL H 17246 1 4 . 1 1 10 10 PHE N N 15 . 1 1 10 10 PHE H H 1 -0.47 0.02 . . . 28 PHE N . 28 PHE H 17246 1 5 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 -0.29 0.01 . . . 29 ALA N . 29 ALA H 17246 1 6 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 -0.08 0 . . . 30 ALA N . 30 ALA H 17246 1 7 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.09 0 . . . 31 GLY N . 31 GLY H 17246 1 8 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 0.69 0.03 . . . 32 THR N . 32 THR H 17246 1 9 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.84 0.04 . . . 33 THR N . 33 THR H 17246 1 10 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.73 0.04 . . . 34 THR N . 34 THR H 17246 1 11 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.86 0.04 . . . 35 THR N . 35 THR H 17246 1 12 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.8 0.04 . . . 36 SER N . 36 SER H 17246 1 13 . 1 1 19 19 VAL N N 15 . 1 1 19 19 VAL H H 1 0.83 0.04 . . . 37 VAL N . 37 VAL H 17246 1 14 . 1 1 20 20 THR N N 15 . 1 1 20 20 THR H H 1 0.73 0.04 . . . 38 THR N . 38 THR H 17246 1 15 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.8 0.04 . . . 39 VAL N . 39 VAL H 17246 1 16 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.83 0.04 . . . 40 HIS N . 40 HIS H 17246 1 17 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.74 0.04 . . . 41 LYS N . 41 LYS H 17246 1 18 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.76 0.04 . . . 42 LEU N . 42 LEU H 17246 1 19 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.66 0.03 . . . 43 LEU N . 43 LEU H 17246 1 20 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.86 0.04 . . . 45 THR N . 45 THR H 17246 1 21 . 1 1 28 28 ASP N N 15 . 1 1 28 28 ASP H H 1 0.76 0.03 . . . 46 ASP N . 46 ASP H 17246 1 22 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.6 0.04 . . . 47 GLY N . 47 GLY H 17246 1 23 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.73 0.03 . . . 48 ASP N . 48 ASP H 17246 1 24 . 1 1 31 31 MET N N 15 . 1 1 31 31 MET H H 1 0.66 0.03 . . . 49 MET N . 49 MET H 17246 1 25 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.7 0.03 . . . 50 ASP N . 50 ASP H 17246 1 26 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.69 0.04 . . . 51 LYS N . 51 LYS H 17246 1 27 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.83 0.03 . . . 52 ILE N . 52 ILE H 17246 1 28 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.58 0.04 . . . 53 ALA N . 53 ALA H 17246 1 29 . 1 1 36 36 ASN N N 15 . 1 1 36 36 ASN H H 1 0.71 0.03 . . . 54 ASN N . 54 ASN H 17246 1 30 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.64 0.03 . . . 55 GLU N . 55 GLU H 17246 1 31 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.67 0.03 . . . 56 LEU N . 56 LEU H 17246 1 32 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.68 0.03 . . . 57 GLU N . 57 GLU H 17246 1 33 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.61 0.03 . . . 58 THR N . 58 THR H 17246 1 34 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.64 0.03 . . . 59 GLY N . 59 GLY H 17246 1 35 . 1 1 42 42 ASN N N 15 . 1 1 42 42 ASN H H 1 0.67 0.03 . . . 60 ASN N . 60 ASN H 17246 1 36 . 1 1 43 43 TYR N N 15 . 1 1 43 43 TYR H H 1 0.61 0.02 . . . 61 TYR N . 61 TYR H 17246 1 37 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.49 0.03 . . . 62 ALA N . 62 ALA H 17246 1 38 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.61 0.03 . . . 63 GLY N . 63 GLY H 17246 1 39 . 1 1 46 46 ASN N N 15 . 1 1 46 46 ASN H H 1 0.67 0.03 . . . 64 ASN N . 64 ASN H 17246 1 40 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.68 0.08 . . . 65 LYS N . 65 LYS H 17246 1 41 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.78 0.03 . . . 66 VAL N . 66 VAL H 17246 1 42 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.58 0.03 . . . 67 GLY N . 67 GLY H 17246 1 43 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.57 0.03 . . . 68 VAL N . 68 VAL H 17246 1 44 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.62 0.04 . . . 69 LEU N . 69 LEU H 17246 1 45 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.84 0.03 . . . 71 ALA N . 71 ALA H 17246 1 46 . 1 1 54 54 ASN N N 15 . 1 1 54 54 ASN H H 1 0.7 0.03 . . . 72 ASN N . 72 ASN H 17246 1 47 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.67 0.04 . . . 73 ALA N . 73 ALA H 17246 1 48 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.74 0.04 . . . 74 LYS N . 74 LYS H 17246 1 49 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.72 0.04 . . . 75 GLU N . 75 GLU H 17246 1 50 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.78 0.03 . . . 77 ALA N . 77 ALA H 17246 1 51 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.69 0.04 . . . 78 GLY N . 78 GLY H 17246 1 52 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.88 0.04 . . . 79 VAL N . 79 VAL H 17246 1 53 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.75 0.04 . . . 80 MET N . 80 MET H 17246 1 54 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.77 0.04 . . . 81 PHE N . 81 PHE H 17246 1 55 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.79 0.04 . . . 82 VAL N . 82 VAL H 17246 1 56 . 1 1 65 65 TRP N N 15 . 1 1 65 65 TRP H H 1 0.85 0.04 . . . 83 TRP N . 83 TRP H 17246 1 57 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.81 0.04 . . . 84 THR N . 84 THR H 17246 1 58 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.82 0.04 . . . 85 ASN N . 85 ASN H 17246 1 59 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.82 0.04 . . . 86 THR N . 86 THR H 17246 1 60 . 1 1 69 69 ASN N N 15 . 1 1 69 69 ASN H H 1 0.76 0.04 . . . 87 ASN N . 87 ASN H 17246 1 61 . 1 1 70 70 ASN N N 15 . 1 1 70 70 ASN H H 1 0.79 0.04 . . . 88 ASN N . 88 ASN H 17246 1 62 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.84 0.04 . . . 89 GLU N . 89 GLU H 17246 1 63 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.79 0.04 . . . 90 ILE N . 90 ILE H 17246 1 64 . 1 1 73 73 ILE N N 15 . 1 1 73 73 ILE H H 1 0.8 0.04 . . . 91 ILE N . 91 ILE H 17246 1 65 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 0.88 0.04 . . . 92 ASP N . 92 ASP H 17246 1 66 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.79 0.04 . . . 93 GLU N . 93 GLU H 17246 1 67 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.89 0.04 . . . 94 ASN N . 94 ASN H 17246 1 68 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.78 0.04 . . . 95 GLY N . 95 GLY H 17246 1 69 . 1 1 78 78 GLN N N 15 . 1 1 78 78 GLN H H 1 0.74 0.03 . . . 96 GLN N . 96 GLN H 17246 1 70 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.68 0.04 . . . 97 THR N . 97 THR H 17246 1 71 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.77 0.04 . . . 98 LEU N . 98 LEU H 17246 1 72 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY H H 1 0.78 0.04 . . . 99 GLY N . 99 GLY H 17246 1 73 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.77 0.04 . . . 100 VAL N . 100 VAL H 17246 1 74 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.75 0.04 . . . 101 ASN N . 101 ASN H 17246 1 75 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.8 0.04 . . . 102 ILE N . 102 ILE H 17246 1 76 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.74 0.04 . . . 103 ASP N . 103 ASP H 17246 1 77 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.71 0.04 . . . 105 GLN N . 105 GLN H 17246 1 78 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.72 0.03 . . . 106 THR N . 106 THR H 17246 1 79 . 1 1 89 89 PHE N N 15 . 1 1 89 89 PHE H H 1 0.53 0.03 . . . 107 PHE N . 107 PHE H 17246 1 80 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.69 0.03 . . . 108 LYS N . 108 LYS H 17246 1 81 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.68 0.04 . . . 109 LEU N . 109 LEU H 17246 1 82 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.79 0.04 . . . 110 SER N . 110 SER H 17246 1 83 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.76 0.02 . . . 111 GLY N . 111 GLY H 17246 1 84 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.4 0.04 . . . 112 ALA N . 112 ALA H 17246 1 85 . 1 1 95 95 MET N N 15 . 1 1 95 95 MET H H 1 0.78 0.1 . . . 113 MET N . 113 MET H 17246 1 86 . 1 1 97 97 ALA N N 15 . 1 1 97 97 ALA H H 1 0.96 0.04 . . . 115 ALA N . 115 ALA H 17246 1 87 . 1 1 98 98 THR N N 15 . 1 1 98 98 THR H H 1 0.82 0.04 . . . 116 THR N . 116 THR H 17246 1 88 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.74 0.04 . . . 117 ALA N . 117 ALA H 17246 1 89 . 1 1 100 100 MET N N 15 . 1 1 100 100 MET H H 1 0.73 0.04 . . . 118 MET N . 118 MET H 17246 1 90 . 1 1 101 101 LYS N N 15 . 1 1 101 101 LYS H H 1 0.74 0.04 . . . 119 LYS N . 119 LYS H 17246 1 91 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.74 0.04 . . . 120 LYS N . 120 LYS H 17246 1 92 . 1 1 103 103 LEU N N 15 . 1 1 103 103 LEU H H 1 0.78 0.04 . . . 121 LEU N . 121 LEU H 17246 1 93 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.7 0.04 . . . 122 THR N . 122 THR H 17246 1 94 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 0.81 0.04 . . . 123 GLU N . 123 GLU H 17246 1 95 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.85 0.04 . . . 124 ALA N . 124 ALA H 17246 1 96 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.77 0.04 . . . 125 GLU N . 125 GLU H 17246 1 97 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.76 0.04 . . . 126 GLY N . 126 GLY H 17246 1 98 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.79 0.04 . . . 127 ALA N . 127 ALA H 17246 1 99 . 1 1 110 110 LYS N N 15 . 1 1 110 110 LYS H H 1 0.75 0.04 . . . 128 LYS N . 128 LYS H 17246 1 100 . 1 1 111 111 PHE N N 15 . 1 1 111 111 PHE H H 1 0.77 0.04 . . . 129 PHE N . 129 PHE H 17246 1 101 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.74 0.04 . . . 130 ASN N . 130 ASN H 17246 1 102 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.78 0.04 . . . 131 THR N . 131 THR H 17246 1 103 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 0.75 0.04 . . . 132 ALA N . 132 ALA H 17246 1 104 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 0.84 0.04 . . . 133 ASN N . 133 ASN H 17246 1 105 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.74 0.04 . . . 134 LEU N . 134 LEU H 17246 1 106 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.72 0.04 . . . 136 ALA N . 136 ALA H 17246 1 107 . 1 1 119 119 ALA N N 15 . 1 1 119 119 ALA H H 1 0.82 0.04 . . . 137 ALA N . 137 ALA H 17246 1 108 . 1 1 120 120 LYS N N 15 . 1 1 120 120 LYS H H 1 0.76 0.04 . . . 138 LYS N . 138 LYS H 17246 1 109 . 1 1 121 121 TYR N N 15 . 1 1 121 121 TYR H H 1 0.78 0.02 . . . 139 TYR N . 139 TYR H 17246 1 110 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 0.48 0.04 . . . 140 LYS N . 140 LYS H 17246 1 111 . 1 1 123 123 ILE N N 15 . 1 1 123 123 ILE H H 1 0.74 0.04 . . . 141 ILE N . 141 ILE H 17246 1 112 . 1 1 124 124 TYR N N 15 . 1 1 124 124 TYR H H 1 0.82 0.04 . . . 142 TYR N . 142 TYR H 17246 1 113 . 1 1 126 126 ILE N N 15 . 1 1 126 126 ILE H H 1 0.77 0.04 . . . 144 ILE N . 144 ILE H 17246 1 114 . 1 1 129 129 LEU N N 15 . 1 1 129 129 LEU H H 1 0.76 0.03 . . . 147 LEU N . 147 LEU H 17246 1 115 . 1 1 134 134 GLY N N 15 . 1 1 134 134 GLY H H 1 0.57 0.01 . . . 152 GLY N . 152 GLY H 17246 1 116 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.19 0.04 . . . 153 GLU N . 153 GLU H 17246 1 117 . 1 1 136 136 ASP N N 15 . 1 1 136 136 ASP H H 1 0.84 0.02 . . . 154 ASP N . 154 ASP H 17246 1 118 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.47 0.02 . . . 155 GLY N . 155 GLY H 17246 1 119 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 0.48 0.03 . . . 156 ALA N . 156 ALA H 17246 1 120 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.56 0.03 . . . 157 THR N . 157 THR H 17246 1 121 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.6 0.03 . . . 158 LEU N . 158 LEU H 17246 1 122 . 1 1 141 141 THR N N 15 . 1 1 141 141 THR H H 1 0.64 0.03 . . . 159 THR N . 159 THR H 17246 1 123 . 1 1 143 143 SER N N 15 . 1 1 143 143 SER H H 1 0.57 0.03 . . . 161 SER N . 161 SER H 17246 1 124 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.58 0.03 . . . 162 LYS N . 162 LYS H 17246 1 125 . 1 1 145 145 ALA N N 15 . 1 1 145 145 ALA H H 1 0.55 0.01 . . . 163 ALA N . 163 ALA H 17246 1 126 . 1 1 146 146 VAL N N 15 . 1 1 146 146 VAL H H 1 0.3 0.02 . . . 164 VAL N . 164 VAL H 17246 1 127 . 1 1 148 148 ILE N N 15 . 1 1 148 148 ILE H H 1 0.47 0.03 . . . 166 ILE N . 166 ILE H 17246 1 128 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.69 0.04 . . . 167 GLU N . 167 GLU H 17246 1 129 . 1 1 150 150 ILE N N 15 . 1 1 150 150 ILE H H 1 0.75 0.03 . . . 168 ILE N . 168 ILE H 17246 1 130 . 1 1 151 151 GLU N N 15 . 1 1 151 151 GLU H H 1 0.65 0.03 . . . 169 GLU N . 169 GLU H 17246 1 131 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 0.61 0.04 . . . 170 LEU N . 170 LEU H 17246 1 132 . 1 1 154 154 LEU N N 15 . 1 1 154 154 LEU H H 1 0.72 0.03 . . . 172 LEU N . 172 LEU H 17246 1 133 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 0.57 0.03 . . . 173 ASN N . 173 ASN H 17246 1 134 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.7 0.04 . . . 174 ASP N . 174 ASP H 17246 1 135 . 1 1 157 157 VAL N N 15 . 1 1 157 157 VAL H H 1 0.83 0.04 . . . 175 VAL N . 175 VAL H 17246 1 136 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 0.78 0.04 . . . 176 VAL N . 176 VAL H 17246 1 137 . 1 1 159 159 ASP N N 15 . 1 1 159 159 ASP H H 1 0.77 0.04 . . . 177 ASP N . 177 ASP H 17246 1 138 . 1 1 160 160 ALA N N 15 . 1 1 160 160 ALA H H 1 0.83 0.04 . . . 178 ALA N . 178 ALA H 17246 1 139 . 1 1 161 161 HIS N N 15 . 1 1 161 161 HIS H H 1 0.84 0.04 . . . 179 HIS N . 179 HIS H 17246 1 140 . 1 1 162 162 VAL N N 15 . 1 1 162 162 VAL H H 1 0.78 0.04 . . . 180 VAL N . 180 VAL H 17246 1 141 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.75 0.03 . . . 181 TYR N . 181 TYR H 17246 1 142 . 1 1 165 165 LYS N N 15 . 1 1 165 165 LYS H H 1 0.6 0.03 . . . 183 LYS N . 183 LYS H 17246 1 143 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.61 0.02 . . . 184 ASN N . 184 ASN H 17246 1 144 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.49 0.02 . . . 185 THR N . 185 THR H 17246 1 145 . 1 1 168 168 GLU N N 15 . 1 1 168 168 GLU H H 1 0.45 0.02 . . . 186 GLU N . 186 GLU H 17246 1 146 . 1 1 169 169 ALA N N 15 . 1 1 169 169 ALA H H 1 0.31 0.01 . . . 187 ALA N . 187 ALA H 17246 1 147 . 1 1 170 170 LYS N N 15 . 1 1 170 170 LYS H H 1 0.1 0.01 . . . 188 LYS N . 188 LYS H 17246 1 148 . 1 1 172 172 LYS N N 15 . 1 1 172 172 LYS H H 1 -0.09 0.01 . . . 190 LYS N . 190 LYS H 17246 1 149 . 1 1 173 173 ILE N N 15 . 1 1 173 173 ILE H H 1 -0.05 0.01 . . . 191 ILE N . 191 ILE H 17246 1 150 . 1 1 174 174 LEU N N 15 . 1 1 174 174 LEU H H 1 -0.17 0.01 . . . 192 LEU N . 192 LEU H 17246 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 17246 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '2D 1H-15N HSQC' . . . 17246 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 ALA N N 15 0.72 0.11 . . 25 ALA N 17246 1 2 . 1 1 8 8 THR N N 15 0.63 0.09 . . 26 THR N 17246 1 3 . 1 1 9 9 VAL N N 15 0.54 0.08 . . 27 VAL N 17246 1 4 . 1 1 10 10 PHE N N 15 0.51 0.08 . . 28 PHE N 17246 1 5 . 1 1 11 11 ALA N N 15 0.53 0.08 . . 29 ALA N 17246 1 6 . 1 1 12 12 ALA N N 15 0.6 0.09 . . 30 ALA N 17246 1 7 . 1 1 13 13 GLY N N 15 0.68 0.1 . . 31 GLY N 17246 1 8 . 1 1 14 14 THR N N 15 0.7 0.1 . . 32 THR N 17246 1 9 . 1 1 15 15 THR N N 15 0.69 0.1 . . 33 THR N 17246 1 10 . 1 1 16 16 THR N N 15 0.71 0.11 . . 34 THR N 17246 1 11 . 1 1 17 17 THR N N 15 0.91 0.14 . . 35 THR N 17246 1 12 . 1 1 18 18 SER N N 15 0.67 0.1 . . 36 SER N 17246 1 13 . 1 1 19 19 VAL N N 15 0.71 0.11 . . 37 VAL N 17246 1 14 . 1 1 20 20 THR N N 15 0.65 0.1 . . 38 THR N 17246 1 15 . 1 1 21 21 VAL N N 15 0.7 0.11 . . 39 VAL N 17246 1 16 . 1 1 22 22 HIS N N 15 0.72 0.11 . . 40 HIS N 17246 1 17 . 1 1 23 23 LYS N N 15 0.71 0.11 . . 41 LYS N 17246 1 18 . 1 1 24 24 LEU N N 15 0.76 0.11 . . 42 LEU N 17246 1 19 . 1 1 25 25 LEU N N 15 0.72 0.11 . . 43 LEU N 17246 1 20 . 1 1 27 27 THR N N 15 0.65 0.1 . . 45 THR N 17246 1 21 . 1 1 28 28 ASP N N 15 0.65 0.1 . . 46 ASP N 17246 1 22 . 1 1 29 29 GLY N N 15 0.58 0.09 . . 47 GLY N 17246 1 23 . 1 1 30 30 ASP N N 15 0.65 0.1 . . 48 ASP N 17246 1 24 . 1 1 31 31 MET N N 15 0.65 0.1 . . 49 MET N 17246 1 25 . 1 1 32 32 ASP N N 15 0.66 0.1 . . 50 ASP N 17246 1 26 . 1 1 33 33 LYS N N 15 0.7 0.11 . . 51 LYS N 17246 1 27 . 1 1 34 34 ILE N N 15 0.7 0.1 . . 52 ILE N 17246 1 28 . 1 1 35 35 ALA N N 15 0.74 0.11 . . 53 ALA N 17246 1 29 . 1 1 36 36 ASN N N 15 0.68 0.1 . . 54 ASN N 17246 1 30 . 1 1 37 37 GLU N N 15 0.69 0.1 . . 55 GLU N 17246 1 31 . 1 1 38 38 LEU N N 15 0.71 0.11 . . 56 LEU N 17246 1 32 . 1 1 39 39 GLU N N 15 0.7 0.11 . . 57 GLU N 17246 1 33 . 1 1 40 40 THR N N 15 0.62 0.09 . . 58 THR N 17246 1 34 . 1 1 41 41 GLY N N 15 0.57 0.09 . . 59 GLY N 17246 1 35 . 1 1 42 42 ASN N N 15 0.58 0.09 . . 60 ASN N 17246 1 36 . 1 1 43 43 TYR N N 15 0.67 0.1 . . 61 TYR N 17246 1 37 . 1 1 44 44 ALA N N 15 0.49 0.07 . . 62 ALA N 17246 1 38 . 1 1 45 45 GLY N N 15 0.69 0.1 . . 63 GLY N 17246 1 39 . 1 1 46 46 ASN N N 15 0.62 0.09 . . 64 ASN N 17246 1 40 . 1 1 47 47 LYS N N 15 0.67 0.1 . . 65 LYS N 17246 1 41 . 1 1 48 48 VAL N N 15 0.66 0.1 . . 66 VAL N 17246 1 42 . 1 1 49 49 GLY N N 15 0.61 0.09 . . 67 GLY N 17246 1 43 . 1 1 50 50 VAL N N 15 0.74 0.11 . . 68 VAL N 17246 1 44 . 1 1 51 51 LEU N N 15 0.69 0.1 . . 69 LEU N 17246 1 45 . 1 1 53 53 ALA N N 15 0.66 0.1 . . 71 ALA N 17246 1 46 . 1 1 54 54 ASN N N 15 0.65 0.1 . . 72 ASN N 17246 1 47 . 1 1 55 55 ALA N N 15 0.71 0.11 . . 73 ALA N 17246 1 48 . 1 1 56 56 LYS N N 15 0.7 0.11 . . 74 LYS N 17246 1 49 . 1 1 57 57 GLU N N 15 0.73 0.11 . . 75 GLU N 17246 1 50 . 1 1 59 59 ALA N N 15 0.79 0.12 . . 77 ALA N 17246 1 51 . 1 1 60 60 GLY N N 15 0.78 0.12 . . 78 GLY N 17246 1 52 . 1 1 61 61 VAL N N 15 0.62 0.09 . . 79 VAL N 17246 1 53 . 1 1 62 62 MET N N 15 0.74 0.11 . . 80 MET N 17246 1 54 . 1 1 63 63 PHE N N 15 0.7 0.11 . . 81 PHE N 17246 1 55 . 1 1 64 64 VAL N N 15 0.79 0.12 . . 82 VAL N 17246 1 56 . 1 1 65 65 TRP N N 15 0.72 0.11 . . 83 TRP N 17246 1 57 . 1 1 66 66 THR N N 15 0.76 0.11 . . 84 THR N 17246 1 58 . 1 1 67 67 ASN N N 15 0.74 0.11 . . 85 ASN N 17246 1 59 . 1 1 68 68 THR N N 15 0.72 0.11 . . 86 THR N 17246 1 60 . 1 1 69 69 ASN N N 15 0.77 0.12 . . 87 ASN N 17246 1 61 . 1 1 70 70 ASN N N 15 0.71 0.11 . . 88 ASN N 17246 1 62 . 1 1 71 71 GLU N N 15 0.71 0.11 . . 89 GLU N 17246 1 63 . 1 1 72 72 ILE N N 15 0.69 0.1 . . 90 ILE N 17246 1 64 . 1 1 73 73 ILE N N 15 0.78 0.12 . . 91 ILE N 17246 1 65 . 1 1 74 74 ASP N N 15 0.72 0.11 . . 92 ASP N 17246 1 66 . 1 1 75 75 GLU N N 15 0.7 0.11 . . 93 GLU N 17246 1 67 . 1 1 76 76 ASN N N 15 0.71 0.11 . . 94 ASN N 17246 1 68 . 1 1 77 77 GLY N N 15 0.75 0.11 . . 95 GLY N 17246 1 69 . 1 1 78 78 GLN N N 15 0.68 0.1 . . 96 GLN N 17246 1 70 . 1 1 79 79 THR N N 15 0.81 0.12 . . 97 THR N 17246 1 71 . 1 1 80 80 LEU N N 15 0.79 0.12 . . 98 LEU N 17246 1 72 . 1 1 81 81 GLY N N 15 0.65 0.1 . . 99 GLY N 17246 1 73 . 1 1 82 82 VAL N N 15 0.81 0.12 . . 100 VAL N 17246 1 74 . 1 1 83 83 ASN N N 15 0.71 0.11 . . 101 ASN N 17246 1 75 . 1 1 84 84 ILE N N 15 0.76 0.11 . . 102 ILE N 17246 1 76 . 1 1 85 85 ASP N N 15 0.72 0.11 . . 103 ASP N 17246 1 77 . 1 1 87 87 GLN N N 15 0.79 0.12 . . 105 GLN N 17246 1 78 . 1 1 88 88 THR N N 15 0.83 0.12 . . 106 THR N 17246 1 79 . 1 1 89 89 PHE N N 15 0.56 0.08 . . 107 PHE N 17246 1 80 . 1 1 90 90 LYS N N 15 0.74 0.11 . . 108 LYS N 17246 1 81 . 1 1 91 91 LEU N N 15 0.76 0.11 . . 109 LEU N 17246 1 82 . 1 1 92 92 SER N N 15 0.75 0.11 . . 110 SER N 17246 1 83 . 1 1 93 93 GLY N N 15 0.76 0.11 . . 111 GLY N 17246 1 84 . 1 1 94 94 ALA N N 15 0.81 0.12 . . 112 ALA N 17246 1 85 . 1 1 95 95 MET N N 15 0.74 0.11 . . 113 MET N 17246 1 86 . 1 1 97 97 ALA N N 15 0.71 0.11 . . 115 ALA N 17246 1 87 . 1 1 98 98 THR N N 15 0.7 0.11 . . 116 THR N 17246 1 88 . 1 1 99 99 ALA N N 15 0.7 0.11 . . 117 ALA N 17246 1 89 . 1 1 100 100 MET N N 15 0.72 0.11 . . 118 MET N 17246 1 90 . 1 1 101 101 LYS N N 15 0.79 0.12 . . 119 LYS N 17246 1 91 . 1 1 102 102 LYS N N 15 0.74 0.11 . . 120 LYS N 17246 1 92 . 1 1 103 103 LEU N N 15 0.73 0.11 . . 121 LEU N 17246 1 93 . 1 1 104 104 THR N N 15 0.73 0.11 . . 122 THR N 17246 1 94 . 1 1 105 105 GLU N N 15 0.74 0.11 . . 123 GLU N 17246 1 95 . 1 1 106 106 ALA N N 15 0.75 0.11 . . 124 ALA N 17246 1 96 . 1 1 107 107 GLU N N 15 0.78 0.12 . . 125 GLU N 17246 1 97 . 1 1 108 108 GLY N N 15 0.72 0.11 . . 126 GLY N 17246 1 98 . 1 1 109 109 ALA N N 15 0.69 0.1 . . 127 ALA N 17246 1 99 . 1 1 110 110 LYS N N 15 0.64 0.1 . . 128 LYS N 17246 1 100 . 1 1 111 111 PHE N N 15 0.74 0.11 . . 129 PHE N 17246 1 101 . 1 1 112 112 ASN N N 15 0.69 0.1 . . 130 ASN N 17246 1 102 . 1 1 113 113 THR N N 15 0.72 0.11 . . 131 THR N 17246 1 103 . 1 1 114 114 ALA N N 15 0.67 0.1 . . 132 ALA N 17246 1 104 . 1 1 115 115 ASN N N 15 0.78 0.12 . . 133 ASN N 17246 1 105 . 1 1 116 116 LEU N N 15 0.75 0.11 . . 134 LEU N 17246 1 106 . 1 1 118 118 ALA N N 15 0.87 0.13 . . 136 ALA N 17246 1 107 . 1 1 119 119 ALA N N 15 0.76 0.11 . . 137 ALA N 17246 1 108 . 1 1 120 120 LYS N N 15 0.77 0.12 . . 138 LYS N 17246 1 109 . 1 1 121 121 TYR N N 15 0.79 0.12 . . 139 TYR N 17246 1 110 . 1 1 122 122 LYS N N 15 0.44 0.07 . . 140 LYS N 17246 1 111 . 1 1 123 123 ILE N N 15 0.78 0.12 . . 141 ILE N 17246 1 112 . 1 1 124 124 TYR N N 15 0.79 0.12 . . 142 TYR N 17246 1 113 . 1 1 126 126 ILE N N 15 0.71 0.11 . . 144 ILE N 17246 1 114 . 1 1 129 129 LEU N N 15 0.61 0.09 . . 147 LEU N 17246 1 115 . 1 1 134 134 GLY N N 15 0.63 0.09 . . 152 GLY N 17246 1 116 . 1 1 135 135 GLU N N 15 0.61 0.09 . . 153 GLU N 17246 1 117 . 1 1 136 136 ASP N N 15 1.09 0.16 . . 154 ASP N 17246 1 118 . 1 1 137 137 GLY N N 15 0.55 0.08 . . 155 GLY N 17246 1 119 . 1 1 138 138 ALA N N 15 0.55 0.08 . . 156 ALA N 17246 1 120 . 1 1 139 139 THR N N 15 0.71 0.11 . . 157 THR N 17246 1 121 . 1 1 140 140 LEU N N 15 0.65 0.1 . . 158 LEU N 17246 1 122 . 1 1 141 141 THR N N 15 0.55 0.08 . . 159 THR N 17246 1 123 . 1 1 143 143 SER N N 15 0.55 0.08 . . 161 SER N 17246 1 124 . 1 1 144 144 LYS N N 15 0.57 0.09 . . 162 LYS N 17246 1 125 . 1 1 145 145 ALA N N 15 0.59 0.09 . . 163 ALA N 17246 1 126 . 1 1 146 146 VAL N N 15 0.66 0.1 . . 164 VAL N 17246 1 127 . 1 1 148 148 ILE N N 15 0.68 0.1 . . 166 ILE N 17246 1 128 . 1 1 149 149 GLU N N 15 0.85 0.13 . . 167 GLU N 17246 1 129 . 1 1 150 150 ILE N N 15 0.71 0.11 . . 168 ILE N 17246 1 130 . 1 1 151 151 GLU N N 15 0.81 0.12 . . 169 GLU N 17246 1 131 . 1 1 152 152 LEU N N 15 0.78 0.12 . . 170 LEU N 17246 1 132 . 1 1 154 154 LEU N N 15 0.74 0.11 . . 172 LEU N 17246 1 133 . 1 1 155 155 ASN N N 15 0.67 0.1 . . 173 ASN N 17246 1 134 . 1 1 156 156 ASP N N 15 0.67 0.1 . . 174 ASP N 17246 1 135 . 1 1 157 157 VAL N N 15 0.65 0.1 . . 175 VAL N 17246 1 136 . 1 1 158 158 VAL N N 15 0.72 0.11 . . 176 VAL N 17246 1 137 . 1 1 159 159 ASP N N 15 0.73 0.11 . . 177 ASP N 17246 1 138 . 1 1 160 160 ALA N N 15 0.77 0.12 . . 178 ALA N 17246 1 139 . 1 1 161 161 HIS N N 15 0.74 0.11 . . 179 HIS N 17246 1 140 . 1 1 162 162 VAL N N 15 0.72 0.11 . . 180 VAL N 17246 1 141 . 1 1 163 163 TYR N N 15 0.75 0.11 . . 181 TYR N 17246 1 142 . 1 1 165 165 LYS N N 15 0.63 0.09 . . 183 LYS N 17246 1 143 . 1 1 166 166 ASN N N 15 0.53 0.08 . . 184 ASN N 17246 1 144 . 1 1 167 167 THR N N 15 0.53 0.08 . . 185 THR N 17246 1 145 . 1 1 168 168 GLU N N 15 0.5 0.08 . . 186 GLU N 17246 1 146 . 1 1 169 169 ALA N N 15 0.51 0.08 . . 187 ALA N 17246 1 147 . 1 1 170 170 LYS N N 15 0.5 0.07 . . 188 LYS N 17246 1 148 . 1 1 172 172 LYS N N 15 0.5 0.08 . . 190 LYS N 17246 1 149 . 1 1 173 173 ILE N N 15 0.51 0.08 . . 191 ILE N 17246 1 150 . 1 1 174 174 LEU N N 15 0.5 0.08 . . 192 LEU N 17246 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 17246 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '2D 1H-15N HSQC' . . . 17246 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 ALA N N 15 0.26 0.04 . . . . 25 ALA N 17246 1 2 . 1 1 8 8 THR N N 15 0.27 0.04 . . . . 26 THR N 17246 1 3 . 1 1 9 9 VAL N N 15 0.25 0.04 . . . . 27 VAL N 17246 1 4 . 1 1 10 10 PHE N N 15 0.23 0.04 . . . . 28 PHE N 17246 1 5 . 1 1 11 11 ALA N N 15 0.19 0.03 . . . . 29 ALA N 17246 1 6 . 1 1 12 12 ALA N N 15 0.18 0.03 . . . . 30 ALA N 17246 1 7 . 1 1 13 13 GLY N N 15 0.12 0.02 . . . . 31 GLY N 17246 1 8 . 1 1 14 14 THR N N 15 0.06 0.01 . . . . 32 THR N 17246 1 9 . 1 1 15 15 THR N N 15 0.06 0.01 . . . . 33 THR N 17246 1 10 . 1 1 16 16 THR N N 15 0.08 0.01 . . . . 34 THR N 17246 1 11 . 1 1 17 17 THR N N 15 0.06 0.01 . . . . 35 THR N 17246 1 12 . 1 1 18 18 SER N N 15 0.06 0.01 . . . . 36 SER N 17246 1 13 . 1 1 19 19 VAL N N 15 0.06 0.01 . . . . 37 VAL N 17246 1 14 . 1 1 20 20 THR N N 15 0.06 0.01 . . . . 38 THR N 17246 1 15 . 1 1 21 21 VAL N N 15 0.06 0.01 . . . . 39 VAL N 17246 1 16 . 1 1 22 22 HIS N N 15 0.06 0.01 . . . . 40 HIS N 17246 1 17 . 1 1 23 23 LYS N N 15 0.06 0.01 . . . . 41 LYS N 17246 1 18 . 1 1 24 24 LEU N N 15 0.06 0.01 . . . . 42 LEU N 17246 1 19 . 1 1 25 25 LEU N N 15 0.05 0.01 . . . . 43 LEU N 17246 1 20 . 1 1 27 27 THR N N 15 0.05 0.01 . . . . 45 THR N 17246 1 21 . 1 1 28 28 ASP N N 15 0.05 0.01 . . . . 46 ASP N 17246 1 22 . 1 1 29 29 GLY N N 15 0.06 0.01 . . . . 47 GLY N 17246 1 23 . 1 1 30 30 ASP N N 15 0.06 0.01 . . . . 48 ASP N 17246 1 24 . 1 1 31 31 MET N N 15 0.08 0.01 . . . . 49 MET N 17246 1 25 . 1 1 32 32 ASP N N 15 0.06 0.01 . . . . 50 ASP N 17246 1 26 . 1 1 33 33 LYS N N 15 0.07 0.01 . . . . 51 LYS N 17246 1 27 . 1 1 34 34 ILE N N 15 0.05 0.01 . . . . 52 ILE N 17246 1 28 . 1 1 35 35 ALA N N 15 0.14 0.02 . . . . 53 ALA N 17246 1 29 . 1 1 36 36 ASN N N 15 0.06 0.01 . . . . 54 ASN N 17246 1 30 . 1 1 37 37 GLU N N 15 0.07 0.01 . . . . 55 GLU N 17246 1 31 . 1 1 38 38 LEU N N 15 0.06 0.01 . . . . 56 LEU N 17246 1 32 . 1 1 39 39 GLU N N 15 0.06 0.01 . . . . 57 GLU N 17246 1 33 . 1 1 40 40 THR N N 15 0.06 0.01 . . . . 58 THR N 17246 1 34 . 1 1 41 41 GLY N N 15 0.06 0.01 . . . . 59 GLY N 17246 1 35 . 1 1 42 42 ASN N N 15 0.06 0.01 . . . . 60 ASN N 17246 1 36 . 1 1 43 43 TYR N N 15 0.05 0.01 . . . . 61 TYR N 17246 1 37 . 1 1 44 44 ALA N N 15 0.1 0.01 . . . . 62 ALA N 17246 1 38 . 1 1 45 45 GLY N N 15 0.06 0.01 . . . . 63 GLY N 17246 1 39 . 1 1 46 46 ASN N N 15 0.05 0.01 . . . . 64 ASN N 17246 1 40 . 1 1 47 47 LYS N N 15 0.06 0.01 . . . . 65 LYS N 17246 1 41 . 1 1 48 48 VAL N N 15 0.05 0.01 . . . . 66 VAL N 17246 1 42 . 1 1 49 49 GLY N N 15 0.06 0.01 . . . . 67 GLY N 17246 1 43 . 1 1 50 50 VAL N N 15 0.08 0.01 . . . . 68 VAL N 17246 1 44 . 1 1 51 51 LEU N N 15 0.08 0.01 . . . . 69 LEU N 17246 1 45 . 1 1 53 53 ALA N N 15 0.07 0.01 . . . . 71 ALA N 17246 1 46 . 1 1 54 54 ASN N N 15 0.07 0.01 . . . . 72 ASN N 17246 1 47 . 1 1 55 55 ALA N N 15 0.06 0.01 . . . . 73 ALA N 17246 1 48 . 1 1 56 56 LYS N N 15 0.06 0.01 . . . . 74 LYS N 17246 1 49 . 1 1 57 57 GLU N N 15 0.06 0.01 . . . . 75 GLU N 17246 1 50 . 1 1 59 59 ALA N N 15 0.04 0.01 . . . . 77 ALA N 17246 1 51 . 1 1 60 60 GLY N N 15 0.05 0.01 . . . . 78 GLY N 17246 1 52 . 1 1 61 61 VAL N N 15 0.07 0.01 . . . . 79 VAL N 17246 1 53 . 1 1 62 62 MET N N 15 0.06 0.01 . . . . 80 MET N 17246 1 54 . 1 1 63 63 PHE N N 15 0.06 0.01 . . . . 81 PHE N 17246 1 55 . 1 1 64 64 VAL N N 15 0.05 0.01 . . . . 82 VAL N 17246 1 56 . 1 1 65 65 TRP N N 15 0.06 0.01 . . . . 83 TRP N 17246 1 57 . 1 1 66 66 THR N N 15 0.06 0.01 . . . . 84 THR N 17246 1 58 . 1 1 67 67 ASN N N 15 0.06 0.01 . . . . 85 ASN N 17246 1 59 . 1 1 68 68 THR N N 15 0.06 0.01 . . . . 86 THR N 17246 1 60 . 1 1 69 69 ASN N N 15 0.06 0.01 . . . . 87 ASN N 17246 1 61 . 1 1 70 70 ASN N N 15 0.07 0.01 . . . . 88 ASN N 17246 1 62 . 1 1 71 71 GLU N N 15 0.06 0.01 . . . . 89 GLU N 17246 1 63 . 1 1 72 72 ILE N N 15 0.06 0.01 . . . . 90 ILE N 17246 1 64 . 1 1 73 73 ILE N N 15 0.06 0.01 . . . . 91 ILE N 17246 1 65 . 1 1 74 74 ASP N N 15 0.06 0.01 . . . . 92 ASP N 17246 1 66 . 1 1 75 75 GLU N N 15 0.07 0.01 . . . . 93 GLU N 17246 1 67 . 1 1 76 76 ASN N N 15 0.06 0.01 . . . . 94 ASN N 17246 1 68 . 1 1 77 77 GLY N N 15 0.06 0.01 . . . . 95 GLY N 17246 1 69 . 1 1 78 78 GLN N N 15 0.06 0.01 . . . . 96 GLN N 17246 1 70 . 1 1 79 79 THR N N 15 0.06 0.01 . . . . 97 THR N 17246 1 71 . 1 1 80 80 LEU N N 15 0.06 0.01 . . . . 98 LEU N 17246 1 72 . 1 1 81 81 GLY N N 15 0.07 0.01 . . . . 99 GLY N 17246 1 73 . 1 1 82 82 VAL N N 15 0.07 0.01 . . . . 100 VAL N 17246 1 74 . 1 1 83 83 ASN N N 15 0.06 0.01 . . . . 101 ASN N 17246 1 75 . 1 1 84 84 ILE N N 15 0.06 0.01 . . . . 102 ILE N 17246 1 76 . 1 1 85 85 ASP N N 15 0.06 0.01 . . . . 103 ASP N 17246 1 77 . 1 1 87 87 GLN N N 15 0.06 0.01 . . . . 105 GLN N 17246 1 78 . 1 1 88 88 THR N N 15 0.07 0.01 . . . . 106 THR N 17246 1 79 . 1 1 89 89 PHE N N 15 0.07 0.01 . . . . 107 PHE N 17246 1 80 . 1 1 90 90 LYS N N 15 0.07 0.01 . . . . 108 LYS N 17246 1 81 . 1 1 91 91 LEU N N 15 0.07 0.01 . . . . 109 LEU N 17246 1 82 . 1 1 92 92 SER N N 15 0.06 0.01 . . . . 110 SER N 17246 1 83 . 1 1 93 93 GLY N N 15 0.07 0.01 . . . . 111 GLY N 17246 1 84 . 1 1 94 94 ALA N N 15 0.14 0.02 . . . . 112 ALA N 17246 1 85 . 1 1 95 95 MET N N 15 0.07 0.01 . . . . 113 MET N 17246 1 86 . 1 1 97 97 ALA N N 15 0.06 0.01 . . . . 115 ALA N 17246 1 87 . 1 1 98 98 THR N N 15 0.03 0 . . . . 116 THR N 17246 1 88 . 1 1 99 99 ALA N N 15 0.06 0.01 . . . . 117 ALA N 17246 1 89 . 1 1 100 100 MET N N 15 0.06 0.01 . . . . 118 MET N 17246 1 90 . 1 1 101 101 LYS N N 15 0.06 0.01 . . . . 119 LYS N 17246 1 91 . 1 1 102 102 LYS N N 15 0.06 0.01 . . . . 120 LYS N 17246 1 92 . 1 1 103 103 LEU N N 15 0.06 0.01 . . . . 121 LEU N 17246 1 93 . 1 1 104 104 THR N N 15 0.06 0.01 . . . . 122 THR N 17246 1 94 . 1 1 105 105 GLU N N 15 0.06 0.01 . . . . 123 GLU N 17246 1 95 . 1 1 106 106 ALA N N 15 0.06 0.01 . . . . 124 ALA N 17246 1 96 . 1 1 107 107 GLU N N 15 0.07 0.01 . . . . 125 GLU N 17246 1 97 . 1 1 108 108 GLY N N 15 0.06 0.01 . . . . 126 GLY N 17246 1 98 . 1 1 109 109 ALA N N 15 0.06 0.01 . . . . 127 ALA N 17246 1 99 . 1 1 110 110 LYS N N 15 0.06 0.01 . . . . 128 LYS N 17246 1 100 . 1 1 111 111 PHE N N 15 0.06 0.01 . . . . 129 PHE N 17246 1 101 . 1 1 112 112 ASN N N 15 0.07 0.01 . . . . 130 ASN N 17246 1 102 . 1 1 113 113 THR N N 15 0.06 0.01 . . . . 131 THR N 17246 1 103 . 1 1 114 114 ALA N N 15 0.06 0.01 . . . . 132 ALA N 17246 1 104 . 1 1 115 115 ASN N N 15 0.06 0.01 . . . . 133 ASN N 17246 1 105 . 1 1 116 116 LEU N N 15 0.06 0.01 . . . . 134 LEU N 17246 1 106 . 1 1 118 118 ALA N N 15 0.06 0.01 . . . . 136 ALA N 17246 1 107 . 1 1 119 119 ALA N N 15 0.07 0.01 . . . . 137 ALA N 17246 1 108 . 1 1 120 120 LYS N N 15 0.06 0.01 . . . . 138 LYS N 17246 1 109 . 1 1 121 121 TYR N N 15 0.06 0.01 . . . . 139 TYR N 17246 1 110 . 1 1 122 122 LYS N N 15 0.07 0.01 . . . . 140 LYS N 17246 1 111 . 1 1 123 123 ILE N N 15 0.06 0.01 . . . . 141 ILE N 17246 1 112 . 1 1 124 124 TYR N N 15 0.06 0.01 . . . . 142 TYR N 17246 1 113 . 1 1 126 126 ILE N N 15 0.1 0.01 . . . . 144 ILE N 17246 1 114 . 1 1 129 129 LEU N N 15 0.05 0.01 . . . . 147 LEU N 17246 1 115 . 1 1 134 134 GLY N N 15 0.07 0.01 . . . . 152 GLY N 17246 1 116 . 1 1 135 135 GLU N N 15 0.23 0.04 . . . . 153 GLU N 17246 1 117 . 1 1 136 136 ASP N N 15 0.07 0.01 . . . . 154 ASP N 17246 1 118 . 1 1 137 137 GLY N N 15 0.08 0.01 . . . . 155 GLY N 17246 1 119 . 1 1 138 138 ALA N N 15 0.08 0.01 . . . . 156 ALA N 17246 1 120 . 1 1 139 139 THR N N 15 0.05 0.01 . . . . 157 THR N 17246 1 121 . 1 1 140 140 LEU N N 15 0.04 0.01 . . . . 158 LEU N 17246 1 122 . 1 1 141 141 THR N N 15 0.06 0.01 . . . . 159 THR N 17246 1 123 . 1 1 143 143 SER N N 15 0.06 0.01 . . . . 161 SER N 17246 1 124 . 1 1 144 144 LYS N N 15 0.06 0.01 . . . . 162 LYS N 17246 1 125 . 1 1 145 145 ALA N N 15 0.06 0.01 . . . . 163 ALA N 17246 1 126 . 1 1 146 146 VAL N N 15 0.09 0.01 . . . . 164 VAL N 17246 1 127 . 1 1 148 148 ILE N N 15 0.08 0.01 . . . . 166 ILE N 17246 1 128 . 1 1 149 149 GLU N N 15 0.07 0.01 . . . . 167 GLU N 17246 1 129 . 1 1 150 150 ILE N N 15 0.06 0.01 . . . . 168 ILE N 17246 1 130 . 1 1 151 151 GLU N N 15 0.07 0.01 . . . . 169 GLU N 17246 1 131 . 1 1 152 152 LEU N N 15 0.07 0.01 . . . . 170 LEU N 17246 1 132 . 1 1 154 154 LEU N N 15 0.06 0.01 . . . . 172 LEU N 17246 1 133 . 1 1 155 155 ASN N N 15 0.11 0.02 . . . . 173 ASN N 17246 1 134 . 1 1 156 156 ASP N N 15 0.03 0 . . . . 174 ASP N 17246 1 135 . 1 1 157 157 VAL N N 15 0.04 0.01 . . . . 175 VAL N 17246 1 136 . 1 1 158 158 VAL N N 15 0.05 0.01 . . . . 176 VAL N 17246 1 137 . 1 1 159 159 ASP N N 15 0.06 0.01 . . . . 177 ASP N 17246 1 138 . 1 1 160 160 ALA N N 15 0.06 0.01 . . . . 178 ALA N 17246 1 139 . 1 1 161 161 HIS N N 15 0.07 0.01 . . . . 179 HIS N 17246 1 140 . 1 1 162 162 VAL N N 15 0.05 0.01 . . . . 180 VAL N 17246 1 141 . 1 1 163 163 TYR N N 15 0.06 0.01 . . . . 181 TYR N 17246 1 142 . 1 1 165 165 LYS N N 15 0.07 0.01 . . . . 183 LYS N 17246 1 143 . 1 1 166 166 ASN N N 15 0.06 0.01 . . . . 184 ASN N 17246 1 144 . 1 1 167 167 THR N N 15 0.09 0.01 . . . . 185 THR N 17246 1 145 . 1 1 168 168 GLU N N 15 0.09 0.01 . . . . 186 GLU N 17246 1 146 . 1 1 169 169 ALA N N 15 0.12 0.02 . . . . 187 ALA N 17246 1 147 . 1 1 170 170 LYS N N 15 0.18 0.03 . . . . 188 LYS N 17246 1 148 . 1 1 172 172 LYS N N 15 0.16 0.02 . . . . 190 LYS N 17246 1 149 . 1 1 173 173 ILE N N 15 0.18 0.03 . . . . 191 ILE N 17246 1 150 . 1 1 174 174 LEU N N 15 0.2 0.03 . . . . 192 LEU N 17246 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 17246 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 3 '2D 1H-15N HSQC' . . . 17246 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 7 7 ALA N N 15 0.15 0.05 . . . . . . . . . . . . . . . . . . . . 25 ALA N 17246 1 2 . 1 1 8 8 THR N N 15 0.13 0.05 . . . . . . . . . . . . . . . . . . . . 26 THR N 17246 1 3 . 1 1 9 9 VAL N N 15 0.13 0.06 . . . . . . . . . . . . . . . . . . . . 27 VAL N 17246 1 4 . 1 1 10 10 PHE N N 15 0.14 0.07 . . . . . . . . . . . . . . . . . . . . 28 PHE N 17246 1 5 . 1 1 11 11 ALA N N 15 0.21 0.08 . . . . . . . . . . . . . . . . . . . . 29 ALA N 17246 1 6 . 1 1 12 12 ALA N N 15 0 0 . . . . . . . . . . . . . . . . . . . . 30 ALA N 17246 1 7 . 1 1 13 13 GLY N N 15 0 0 . . . . . . . . . . . . . . . . . . . . 31 GLY N 17246 1 8 . 1 1 14 14 THR N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 32 THR N 17246 1 9 . 1 1 15 15 THR N N 15 0.99 0.09 . . . . . . . . . . . . . . . . . . . . 33 THR N 17246 1 10 . 1 1 16 16 THR N N 15 0.83 0.1 . . . . . . . . . . . . . . . . . . . . 34 THR N 17246 1 11 . 1 1 17 17 THR N N 15 0.84 0.11 . . . . . . . . . . . . . . . . . . . . 35 THR N 17246 1 12 . 1 1 18 18 SER N N 15 1 0.09 . . . . . . . . . . . . . . . . . . . . 36 SER N 17246 1 13 . 1 1 19 19 VAL N N 15 0.99 0.08 . . . . . . . . . . . . . . . . . . . . 37 VAL N 17246 1 14 . 1 1 20 20 THR N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 38 THR N 17246 1 15 . 1 1 21 21 VAL N N 15 0.99 0.07 . . . . . . . . . . . . . . . . . . . . 39 VAL N 17246 1 16 . 1 1 22 22 HIS N N 15 0.97 0.08 . . . . . . . . . . . . . . . . . . . . 40 HIS N 17246 1 17 . 1 1 23 23 LYS N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 41 LYS N 17246 1 18 . 1 1 24 24 LEU N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 42 LEU N 17246 1 19 . 1 1 25 25 LEU N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 43 LEU N 17246 1 20 . 1 1 27 27 THR N N 15 1 0.11 . . . . . . . . . . . . . . . . . . . . 45 THR N 17246 1 21 . 1 1 28 28 ASP N N 15 1 0.07 . . . . . . . . . . . . . . . . . . . . 46 ASP N 17246 1 22 . 1 1 29 29 GLY N N 15 0.92 0.1 . . . . . . . . . . . . . . . . . . . . 47 GLY N 17246 1 23 . 1 1 30 30 ASP N N 15 1 0.09 . . . . . . . . . . . . . . . . . . . . 48 ASP N 17246 1 24 . 1 1 31 31 MET N N 15 0.88 0.11 . . . . . . . . . . . . . . . . . . . . 49 MET N 17246 1 25 . 1 1 32 32 ASP N N 15 0.96 0.11 . . . . . . . . . . . . . . . . . . . . 50 ASP N 17246 1 26 . 1 1 33 33 LYS N N 15 0.92 0.08 . . . . . . . . . . . . . . . . . . . . 51 LYS N 17246 1 27 . 1 1 34 34 ILE N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 52 ILE N 17246 1 28 . 1 1 35 35 ALA N N 15 0.61 0.15 . . . . . . . . . . . . . . . . . . . . 53 ALA N 17246 1 29 . 1 1 36 36 ASN N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 54 ASN N 17246 1 30 . 1 1 37 37 GLU N N 15 0.88 0.09 . . . . . . . . . . . . . . . . . . . . 55 GLU N 17246 1 31 . 1 1 38 38 LEU N N 15 0.95 0.08 . . . . . . . . . . . . . . . . . . . . 56 LEU N 17246 1 32 . 1 1 39 39 GLU N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 57 GLU N 17246 1 33 . 1 1 40 40 THR N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 58 THR N 17246 1 34 . 1 1 41 41 GLY N N 15 0.92 0.11 . . . . . . . . . . . . . . . . . . . . 59 GLY N 17246 1 35 . 1 1 42 42 ASN N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 60 ASN N 17246 1 36 . 1 1 43 43 TYR N N 15 0.93 0.11 . . . . . . . . . . . . . . . . . . . . 61 TYR N 17246 1 37 . 1 1 44 44 ALA N N 15 0.56 0.14 . . . . . . . . . . . . . . . . . . . . 62 ALA N 17246 1 38 . 1 1 45 45 GLY N N 15 0.93 0.09 . . . . . . . . . . . . . . . . . . . . 63 GLY N 17246 1 39 . 1 1 46 46 ASN N N 15 0.95 0.1 . . . . . . . . . . . . . . . . . . . . 64 ASN N 17246 1 40 . 1 1 47 47 LYS N N 15 0.96 0.09 . . . . . . . . . . . . . . . . . . . . 65 LYS N 17246 1 41 . 1 1 48 48 VAL N N 15 0.98 0.12 . . . . . . . . . . . . . . . . . . . . 66 VAL N 17246 1 42 . 1 1 49 49 GLY N N 15 0.92 0.09 . . . . . . . . . . . . . . . . . . . . 67 GLY N 17246 1 43 . 1 1 50 50 VAL N N 15 0.83 0.09 . . . . . . . . . . . . . . . . . . . . 68 VAL N 17246 1 44 . 1 1 51 51 LEU N N 15 0.85 0.09 . . . . . . . . . . . . . . . . . . . . 69 LEU N 17246 1 45 . 1 1 53 53 ALA N N 15 0.97 0.1 . . . . . . . . . . . . . . . . . . . . 71 ALA N 17246 1 46 . 1 1 54 54 ASN N N 15 0.91 0.1 . . . . . . . . . . . . . . . . . . . . 72 ASN N 17246 1 47 . 1 1 55 55 ALA N N 15 0.93 0.09 . . . . . . . . . . . . . . . . . . . . 73 ALA N 17246 1 48 . 1 1 56 56 LYS N N 15 0.96 0.1 . . . . . . . . . . . . . . . . . . . . 74 LYS N 17246 1 49 . 1 1 57 57 GLU N N 15 0.94 0.1 . . . . . . . . . . . . . . . . . . . . 75 GLU N 17246 1 50 . 1 1 59 59 ALA N N 15 0.98 0.11 . . . . . . . . . . . . . . . . . . . . 77 ALA N 17246 1 51 . 1 1 60 60 GLY N N 15 0.93 0.09 . . . . . . . . . . . . . . . . . . . . 78 GLY N 17246 1 52 . 1 1 61 61 VAL N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 79 VAL N 17246 1 53 . 1 1 62 62 MET N N 15 0.98 0.09 . . . . . . . . . . . . . . . . . . . . 80 MET N 17246 1 54 . 1 1 63 63 PHE N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 81 PHE N 17246 1 55 . 1 1 64 64 VAL N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 82 VAL N 17246 1 56 . 1 1 65 65 TRP N N 15 1 0.09 . . . . . . . . . . . . . . . . . . . . 83 TRP N 17246 1 57 . 1 1 66 66 THR N N 15 0.92 0.1 . . . . . . . . . . . . . . . . . . . . 84 THR N 17246 1 58 . 1 1 67 67 ASN N N 15 0.94 0.11 . . . . . . . . . . . . . . . . . . . . 85 ASN N 17246 1 59 . 1 1 68 68 THR N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 86 THR N 17246 1 60 . 1 1 69 69 ASN N N 15 0.92 0.11 . . . . . . . . . . . . . . . . . . . . 87 ASN N 17246 1 61 . 1 1 70 70 ASN N N 15 0.94 0.09 . . . . . . . . . . . . . . . . . . . . 88 ASN N 17246 1 62 . 1 1 71 71 GLU N N 15 0.99 0.07 . . . . . . . . . . . . . . . . . . . . 89 GLU N 17246 1 63 . 1 1 72 72 ILE N N 15 0.96 0.08 . . . . . . . . . . . . . . . . . . . . 90 ILE N 17246 1 64 . 1 1 73 73 ILE N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 91 ILE N 17246 1 65 . 1 1 74 74 ASP N N 15 0.98 0.07 . . . . . . . . . . . . . . . . . . . . 92 ASP N 17246 1 66 . 1 1 75 75 GLU N N 15 0.95 0.1 . . . . . . . . . . . . . . . . . . . . 93 GLU N 17246 1 67 . 1 1 76 76 ASN N N 15 0.96 0.11 . . . . . . . . . . . . . . . . . . . . 94 ASN N 17246 1 68 . 1 1 77 77 GLY N N 15 0.93 0.09 . . . . . . . . . . . . . . . . . . . . 95 GLY N 17246 1 69 . 1 1 78 78 GLN N N 15 0.99 0.09 . . . . . . . . . . . . . . . . . . . . 96 GLN N 17246 1 70 . 1 1 79 79 THR N N 15 0.86 0.09 . . . . . . . . . . . . . . . . . . . . 97 THR N 17246 1 71 . 1 1 80 80 LEU N N 15 0.93 0.08 . . . . . . . . . . . . . . . . . . . . 98 LEU N 17246 1 72 . 1 1 81 81 GLY N N 15 0.96 0.11 . . . . . . . . . . . . . . . . . . . . 99 GLY N 17246 1 73 . 1 1 82 82 VAL N N 15 0.87 0.11 . . . . . . . . . . . . . . . . . . . . 100 VAL N 17246 1 74 . 1 1 83 83 ASN N N 15 0.96 0.09 . . . . . . . . . . . . . . . . . . . . 101 ASN N 17246 1 75 . 1 1 84 84 ILE N N 15 0.92 0.1 . . . . . . . . . . . . . . . . . . . . 102 ILE N 17246 1 76 . 1 1 85 85 ASP N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 103 ASP N 17246 1 77 . 1 1 87 87 GLN N N 15 0.88 0.1 . . . . . . . . . . . . . . . . . . . . 105 GLN N 17246 1 78 . 1 1 88 88 THR N N 15 0.84 0.11 . . . . . . . . . . . . . . . . . . . . 106 THR N 17246 1 79 . 1 1 89 89 PHE N N 15 0.83 0.12 . . . . . . . . . . . . . . . . . . . . 107 PHE N 17246 1 80 . 1 1 90 90 LYS N N 15 0.91 0.09 . . . . . . . . . . . . . . . . . . . . 108 LYS N 17246 1 81 . 1 1 91 91 LEU N N 15 0.88 0.08 . . . . . . . . . . . . . . . . . . . . 109 LEU N 17246 1 82 . 1 1 92 92 SER N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 110 SER N 17246 1 83 . 1 1 93 93 GLY N N 15 0.86 0.09 . . . . . . . . . . . . . . . . . . . . 111 GLY N 17246 1 84 . 1 1 94 94 ALA N N 15 0.52 0.07 . . . . . . . . . . . . . . . . . . . . 112 ALA N 17246 1 85 . 1 1 95 95 MET N N 15 0.92 0.1 . . . . . . . . . . . . . . . . . . . . 113 MET N 17246 1 86 . 1 1 97 97 ALA N N 15 1 0.03 . . . . . . . . . . . . . . . . . . . . 115 ALA N 17246 1 87 . 1 1 98 98 THR N N 15 0.93 0.13 . . . . . . . . . . . . . . . . . . . . 116 THR N 17246 1 88 . 1 1 99 99 ALA N N 15 0.98 0.1 . . . . . . . . . . . . . . . . . . . . 117 ALA N 17246 1 89 . 1 1 100 100 MET N N 15 0.98 0.1 . . . . . . . . . . . . . . . . . . . . 118 MET N 17246 1 90 . 1 1 101 101 LYS N N 15 0.9 0.1 . . . . . . . . . . . . . . . . . . . . 119 LYS N 17246 1 91 . 1 1 102 102 LYS N N 15 0.98 0.08 . . . . . . . . . . . . . . . . . . . . 120 LYS N 17246 1 92 . 1 1 103 103 LEU N N 15 0.96 0.11 . . . . . . . . . . . . . . . . . . . . 121 LEU N 17246 1 93 . 1 1 104 104 THR N N 15 0.94 0.08 . . . . . . . . . . . . . . . . . . . . 122 THR N 17246 1 94 . 1 1 105 105 GLU N N 15 0.94 0.1 . . . . . . . . . . . . . . . . . . . . 123 GLU N 17246 1 95 . 1 1 106 106 ALA N N 15 0.92 0.1 . . . . . . . . . . . . . . . . . . . . 124 ALA N 17246 1 96 . 1 1 107 107 GLU N N 15 0.87 0.1 . . . . . . . . . . . . . . . . . . . . 125 GLU N 17246 1 97 . 1 1 108 108 GLY N N 15 0.96 0.1 . . . . . . . . . . . . . . . . . . . . 126 GLY N 17246 1 98 . 1 1 109 109 ALA N N 15 0.98 0.09 . . . . . . . . . . . . . . . . . . . . 127 ALA N 17246 1 99 . 1 1 110 110 LYS N N 15 1 0.09 . . . . . . . . . . . . . . . . . . . . 128 LYS N 17246 1 100 . 1 1 111 111 PHE N N 15 0.96 0.08 . . . . . . . . . . . . . . . . . . . . 129 PHE N 17246 1 101 . 1 1 112 112 ASN N N 15 0.96 0.1 . . . . . . . . . . . . . . . . . . . . 130 ASN N 17246 1 102 . 1 1 113 113 THR N N 15 0.95 0.09 . . . . . . . . . . . . . . . . . . . . 131 THR N 17246 1 103 . 1 1 114 114 ALA N N 15 1 0.1 . . . . . . . . . . . . . . . . . . . . 132 ALA N 17246 1 104 . 1 1 115 115 ASN N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 133 ASN N 17246 1 105 . 1 1 116 116 LEU N N 15 0.94 0.11 . . . . . . . . . . . . . . . . . . . . 134 LEU N 17246 1 106 . 1 1 118 118 ALA N N 15 0.83 0.1 . . . . . . . . . . . . . . . . . . . . 136 ALA N 17246 1 107 . 1 1 119 119 ALA N N 15 0.9 0.1 . . . . . . . . . . . . . . . . . . . . 137 ALA N 17246 1 108 . 1 1 120 120 LYS N N 15 0.91 0.09 . . . . . . . . . . . . . . . . . . . . 138 LYS N 17246 1 109 . 1 1 121 121 TYR N N 15 0.89 0.11 . . . . . . . . . . . . . . . . . . . . 139 TYR N 17246 1 110 . 1 1 122 122 LYS N N 15 0.68 0.16 . . . . . . . . . . . . . . . . . . . . 140 LYS N 17246 1 111 . 1 1 123 123 ILE N N 15 0.95 0.08 . . . . . . . . . . . . . . . . . . . . 141 ILE N 17246 1 112 . 1 1 124 124 TYR N N 15 0.91 0.1 . . . . . . . . . . . . . . . . . . . . 142 TYR N 17246 1 113 . 1 1 126 126 ILE N N 15 0.75 0.11 . . . . . . . . . . . . . . . . . . . . 144 ILE N 17246 1 114 . 1 1 129 129 LEU N N 15 1 0.09 . . . . . . . . . . . . . . . . . . . . 147 LEU N 17246 1 115 . 1 1 134 134 GLY N N 15 0.88 0.1 . . . . . . . . . . . . . . . . . . . . 152 GLY N 17246 1 116 . 1 1 135 135 GLU N N 15 0.22 0.11 . . . . . . . . . . . . . . . . . . . . 153 GLU N 17246 1 117 . 1 1 136 136 ASP N N 15 0.7 0.1 . . . . . . . . . . . . . . . . . . . . 154 ASP N 17246 1 118 . 1 1 137 137 GLY N N 15 0.75 0.13 . . . . . . . . . . . . . . . . . . . . 155 GLY N 17246 1 119 . 1 1 138 138 ALA N N 15 0.69 0.05 . . . . . . . . . . . . . . . . . . . . 156 ALA N 17246 1 120 . 1 1 139 139 THR N N 15 0.87 0.09 . . . . . . . . . . . . . . . . . . . . 157 THR N 17246 1 121 . 1 1 140 140 LEU N N 15 0.92 0.08 . . . . . . . . . . . . . . . . . . . . 158 LEU N 17246 1 122 . 1 1 141 141 THR N N 15 0.88 0.12 . . . . . . . . . . . . . . . . . . . . 159 THR N 17246 1 123 . 1 1 143 143 SER N N 15 0.88 0.1 . . . . . . . . . . . . . . . . . . . . 161 SER N 17246 1 124 . 1 1 144 144 LYS N N 15 0.92 0.11 . . . . . . . . . . . . . . . . . . . . 162 LYS N 17246 1 125 . 1 1 145 145 ALA N N 15 0.9 0.1 . . . . . . . . . . . . . . . . . . . . 163 ALA N 17246 1 126 . 1 1 146 146 VAL N N 15 0.73 0.12 . . . . . . . . . . . . . . . . . . . . 164 VAL N 17246 1 127 . 1 1 148 148 ILE N N 15 0.84 0.09 . . . . . . . . . . . . . . . . . . . . 166 ILE N 17246 1 128 . 1 1 149 149 GLU N N 15 0.81 0.11 . . . . . . . . . . . . . . . . . . . . 167 GLU N 17246 1 129 . 1 1 150 150 ILE N N 15 0.96 0.09 . . . . . . . . . . . . . . . . . . . . 168 ILE N 17246 1 130 . 1 1 151 151 GLU N N 15 0.83 0.1 . . . . . . . . . . . . . . . . . . . . 169 GLU N 17246 1 131 . 1 1 152 152 LEU N N 15 0.83 0.1 . . . . . . . . . . . . . . . . . . . . 170 LEU N 17246 1 132 . 1 1 154 154 LEU N N 15 0.97 0.09 . . . . . . . . . . . . . . . . . . . . 172 LEU N 17246 1 133 . 1 1 155 155 ASN N N 15 0.69 0.15 . . . . . . . . . . . . . . . . . . . . 173 ASN N 17246 1 134 . 1 1 156 156 ASP N N 15 0.95 0.11 . . . . . . . . . . . . . . . . . . . . 174 ASP N 17246 1 135 . 1 1 157 157 VAL N N 15 1 0.11 . . . . . . . . . . . . . . . . . . . . 175 VAL N 17246 1 136 . 1 1 158 158 VAL N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 176 VAL N 17246 1 137 . 1 1 159 159 ASP N N 15 0.94 0.08 . . . . . . . . . . . . . . . . . . . . 177 ASP N 17246 1 138 . 1 1 160 160 ALA N N 15 0.95 0.07 . . . . . . . . . . . . . . . . . . . . 178 ALA N 17246 1 139 . 1 1 161 161 HIS N N 15 0.93 0.1 . . . . . . . . . . . . . . . . . . . . 179 HIS N 17246 1 140 . 1 1 162 162 VAL N N 15 1 0.08 . . . . . . . . . . . . . . . . . . . . 180 VAL N 17246 1 141 . 1 1 163 163 TYR N N 15 0.97 0.1 . . . . . . . . . . . . . . . . . . . . 181 TYR N 17246 1 142 . 1 1 165 165 LYS N N 15 0.89 0.1 . . . . . . . . . . . . . . . . . . . . 183 LYS N 17246 1 143 . 1 1 166 166 ASN N N 15 0.87 0.11 . . . . . . . . . . . . . . . . . . . . 184 ASN N 17246 1 144 . 1 1 167 167 THR N N 15 0.64 0.14 . . . . . . . . . . . . . . . . . . . . 185 THR N 17246 1 145 . 1 1 168 168 GLU N N 15 0.62 0.14 . . . . . . . . . . . . . . . . . . . . 186 GLU N 17246 1 146 . 1 1 169 169 ALA N N 15 0.43 0.12 . . . . . . . . . . . . . . . . . . . . 187 ALA N 17246 1 147 . 1 1 170 170 LYS N N 15 0.21 0.08 . . . . . . . . . . . . . . . . . . . . 188 LYS N 17246 1 148 . 1 1 172 172 LYS N N 15 0.27 0.09 . . . . . . . . . . . . . . . . . . . . 190 LYS N 17246 1 149 . 1 1 173 173 ILE N N 15 0.22 0.09 . . . . . . . . . . . . . . . . . . . . 191 ILE N 17246 1 150 . 1 1 174 174 LEU N N 15 0.19 0.08 . . . . . . . . . . . . . . . . . . . . 192 LEU N 17246 1 stop_ save_