data_19988 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19988 _Entry.Title ; Solution structure of the PR domain of FOG-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-26 _Entry.Accession_date 2014-05-26 _Entry.Last_release_date 2014-09-29 _Entry.Original_release_date 2014-09-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Joel Mackay . P. . . 19988 2 Molly Clifton . K. . . 19988 3 Belinda Westman . J. . . 19988 4 Gerd Blobel . A. . . 19988 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' . 19988 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FOG-1 . 19988 GATA-1 . 19988 'PR domain' . 19988 transcription . 19988 'zinc-finger protein' . 19988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 19988 '15N chemical shifts' 109 19988 '1H chemical shifts' 740 19988 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-10-27 . original BMRB . 19988 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MPL 'BMRB Entry Tracking System' 19988 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19988 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25162672 _Citation.Full_citation . _Citation.Title ; The Identification and Structure of an N-Terminal PR Domain Show that FOG1 Is a Member of the PRDM Family of Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 8 _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 e106011 _Citation.Page_last e106011 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Molly Clifton . K. . . 19988 1 2 Belinda Westman . J. . . 19988 1 3 'Sock Yue' Thong . . . . 19988 1 4 Mitchell O'Connell . R . . 19988 1 5 Nicholas Shepherd . E. . . 19988 1 6 Kate Quinlan . G. . . 19988 1 7 Merlin Crossley . . . . 19988 1 8 Gerd Blobel . A. . . 19988 1 9 Joel Mackay . P. . . 19988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19988 _Assembly.ID 1 _Assembly.Name 'PR domain of FOG-1' _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 FOG-1_PR 1 $FOG-1_PR A . yes native no no . . . 19988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FOG-1_PR _Entity.Sf_category entity _Entity.Sf_framecode FOG-1_PR _Entity.Entry_ID 19988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FOG-1_PR _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 ; PWSGPEELELALQDGQRCVR ARLSLTEGLSWGPFYGSIQT RALSPEREEPGPAVTLMVDE SCWLRMLPQVLTEEAANSEI YRKDDALWCRVTKVVPSGGL LYVRLVTEPHGAPRHPVQEP VEPGGLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14061.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 100 PRO . 19988 1 2 101 TRP . 19988 1 3 102 SER . 19988 1 4 103 GLY . 19988 1 5 104 PRO . 19988 1 6 105 GLU . 19988 1 7 106 GLU . 19988 1 8 107 LEU . 19988 1 9 108 GLU . 19988 1 10 109 LEU . 19988 1 11 110 ALA . 19988 1 12 111 LEU . 19988 1 13 112 GLN . 19988 1 14 113 ASP . 19988 1 15 114 GLY . 19988 1 16 115 GLN . 19988 1 17 116 ARG . 19988 1 18 117 CYS . 19988 1 19 118 VAL . 19988 1 20 119 ARG . 19988 1 21 120 ALA . 19988 1 22 121 ARG . 19988 1 23 122 LEU . 19988 1 24 123 SER . 19988 1 25 124 LEU . 19988 1 26 125 THR . 19988 1 27 126 GLU . 19988 1 28 127 GLY . 19988 1 29 128 LEU . 19988 1 30 129 SER . 19988 1 31 130 TRP . 19988 1 32 131 GLY . 19988 1 33 132 PRO . 19988 1 34 133 PHE . 19988 1 35 134 TYR . 19988 1 36 135 GLY . 19988 1 37 136 SER . 19988 1 38 137 ILE . 19988 1 39 138 GLN . 19988 1 40 139 THR . 19988 1 41 140 ARG . 19988 1 42 141 ALA . 19988 1 43 142 LEU . 19988 1 44 143 SER . 19988 1 45 144 PRO . 19988 1 46 145 GLU . 19988 1 47 146 ARG . 19988 1 48 147 GLU . 19988 1 49 148 GLU . 19988 1 50 149 PRO . 19988 1 51 150 GLY . 19988 1 52 151 PRO . 19988 1 53 152 ALA . 19988 1 54 153 VAL . 19988 1 55 154 THR . 19988 1 56 155 LEU . 19988 1 57 156 MET . 19988 1 58 157 VAL . 19988 1 59 158 ASP . 19988 1 60 159 GLU . 19988 1 61 160 SER . 19988 1 62 161 CYS . 19988 1 63 162 TRP . 19988 1 64 163 LEU . 19988 1 65 164 ARG . 19988 1 66 165 MET . 19988 1 67 166 LEU . 19988 1 68 167 PRO . 19988 1 69 168 GLN . 19988 1 70 169 VAL . 19988 1 71 170 LEU . 19988 1 72 171 THR . 19988 1 73 172 GLU . 19988 1 74 173 GLU . 19988 1 75 174 ALA . 19988 1 76 175 ALA . 19988 1 77 176 ASN . 19988 1 78 177 SER . 19988 1 79 178 GLU . 19988 1 80 179 ILE . 19988 1 81 180 TYR . 19988 1 82 181 ARG . 19988 1 83 182 LYS . 19988 1 84 183 ASP . 19988 1 85 184 ASP . 19988 1 86 185 ALA . 19988 1 87 186 LEU . 19988 1 88 187 TRP . 19988 1 89 188 CYS . 19988 1 90 189 ARG . 19988 1 91 190 VAL . 19988 1 92 191 THR . 19988 1 93 192 LYS . 19988 1 94 193 VAL . 19988 1 95 194 VAL . 19988 1 96 195 PRO . 19988 1 97 196 SER . 19988 1 98 197 GLY . 19988 1 99 198 GLY . 19988 1 100 199 LEU . 19988 1 101 200 LEU . 19988 1 102 201 TYR . 19988 1 103 202 VAL . 19988 1 104 203 ARG . 19988 1 105 204 LEU . 19988 1 106 205 VAL . 19988 1 107 206 THR . 19988 1 108 207 GLU . 19988 1 109 208 PRO . 19988 1 110 209 HIS . 19988 1 111 210 GLY . 19988 1 112 211 ALA . 19988 1 113 212 PRO . 19988 1 114 213 ARG . 19988 1 115 214 HIS . 19988 1 116 215 PRO . 19988 1 117 216 VAL . 19988 1 118 217 GLN . 19988 1 119 218 GLU . 19988 1 120 219 PRO . 19988 1 121 220 VAL . 19988 1 122 221 GLU . 19988 1 123 222 PRO . 19988 1 124 223 GLY . 19988 1 125 224 GLY . 19988 1 126 225 LEU . 19988 1 127 226 ALA . 19988 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 . PRO 1 1 19988 1 . TRP 2 2 19988 1 . SER 3 3 19988 1 . GLY 4 4 19988 1 . PRO 5 5 19988 1 . GLU 6 6 19988 1 . GLU 7 7 19988 1 . LEU 8 8 19988 1 . GLU 9 9 19988 1 . LEU 10 10 19988 1 . ALA 11 11 19988 1 . LEU 12 12 19988 1 . GLN 13 13 19988 1 . ASP 14 14 19988 1 . GLY 15 15 19988 1 . GLN 16 16 19988 1 . ARG 17 17 19988 1 . CYS 18 18 19988 1 . VAL 19 19 19988 1 . ARG 20 20 19988 1 . ALA 21 21 19988 1 . ARG 22 22 19988 1 . LEU 23 23 19988 1 . SER 24 24 19988 1 . LEU 25 25 19988 1 . THR 26 26 19988 1 . GLU 27 27 19988 1 . GLY 28 28 19988 1 . LEU 29 29 19988 1 . SER 30 30 19988 1 . TRP 31 31 19988 1 . GLY 32 32 19988 1 . PRO 33 33 19988 1 . PHE 34 34 19988 1 . TYR 35 35 19988 1 . GLY 36 36 19988 1 . SER 37 37 19988 1 . ILE 38 38 19988 1 . GLN 39 39 19988 1 . THR 40 40 19988 1 . ARG 41 41 19988 1 . ALA 42 42 19988 1 . LEU 43 43 19988 1 . SER 44 44 19988 1 . PRO 45 45 19988 1 . GLU 46 46 19988 1 . ARG 47 47 19988 1 . GLU 48 48 19988 1 . GLU 49 49 19988 1 . PRO 50 50 19988 1 . GLY 51 51 19988 1 . PRO 52 52 19988 1 . ALA 53 53 19988 1 . VAL 54 54 19988 1 . THR 55 55 19988 1 . LEU 56 56 19988 1 . MET 57 57 19988 1 . VAL 58 58 19988 1 . ASP 59 59 19988 1 . GLU 60 60 19988 1 . SER 61 61 19988 1 . CYS 62 62 19988 1 . TRP 63 63 19988 1 . LEU 64 64 19988 1 . ARG 65 65 19988 1 . MET 66 66 19988 1 . LEU 67 67 19988 1 . PRO 68 68 19988 1 . GLN 69 69 19988 1 . VAL 70 70 19988 1 . LEU 71 71 19988 1 . THR 72 72 19988 1 . GLU 73 73 19988 1 . GLU 74 74 19988 1 . ALA 75 75 19988 1 . ALA 76 76 19988 1 . ASN 77 77 19988 1 . SER 78 78 19988 1 . GLU 79 79 19988 1 . ILE 80 80 19988 1 . TYR 81 81 19988 1 . ARG 82 82 19988 1 . LYS 83 83 19988 1 . ASP 84 84 19988 1 . ASP 85 85 19988 1 . ALA 86 86 19988 1 . LEU 87 87 19988 1 . TRP 88 88 19988 1 . CYS 89 89 19988 1 . ARG 90 90 19988 1 . VAL 91 91 19988 1 . THR 92 92 19988 1 . LYS 93 93 19988 1 . VAL 94 94 19988 1 . VAL 95 95 19988 1 . PRO 96 96 19988 1 . SER 97 97 19988 1 . GLY 98 98 19988 1 . GLY 99 99 19988 1 . LEU 100 100 19988 1 . LEU 101 101 19988 1 . TYR 102 102 19988 1 . VAL 103 103 19988 1 . ARG 104 104 19988 1 . LEU 105 105 19988 1 . VAL 106 106 19988 1 . THR 107 107 19988 1 . GLU 108 108 19988 1 . PRO 109 109 19988 1 . HIS 110 110 19988 1 . GLY 111 111 19988 1 . ALA 112 112 19988 1 . PRO 113 113 19988 1 . ARG 114 114 19988 1 . HIS 115 115 19988 1 . PRO 116 116 19988 1 . VAL 117 117 19988 1 . GLN 118 118 19988 1 . GLU 119 119 19988 1 . PRO 120 120 19988 1 . VAL 121 121 19988 1 . GLU 122 122 19988 1 . PRO 123 123 19988 1 . GLY 124 124 19988 1 . GLY 125 125 19988 1 . LEU 126 126 19988 1 . ALA 127 127 19988 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 19988 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FOG-1_PR . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . zfpm1 . 19988 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 19988 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FOG-1_PR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pGEX-2T . . . 19988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled _Sample.Sf_category sample _Sample.Sf_framecode unlabelled _Sample.Entry_ID 19988 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'FOG-1 PR' 'natural abundance' . . 1 $FOG-1_PR . . 0.5-1 . . mM . . . . 19988 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19988 1 3 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 19988 1 stop_ save_ save_15N_labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N_labeled _Sample.Entry_ID 19988 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'FOG-1 PR' '[U-100% 15N]' . . 1 $FOG-1_PR . . 0.5-1 . . mM . . . . 19988 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19988 2 3 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 19988 2 stop_ save_ save_15N-13C_labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C_labeled _Sample.Entry_ID 19988 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5-1 mM in 20 mM Na2HPO4/NaH2PO4, pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'FOG-1 PR' '[U-100% 13C; U-100% 15N]' . . 1 $FOG-1_PR . . 0.5-1 . . mM . . . . 19988 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19988 3 3 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 19988 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 19988 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 19988 1 pH 7 . pH 19988 1 pressure 1 . atm 19988 1 temperature 298 . K 19988 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19988 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19988 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19988 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19988 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19988 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19988 2 'peak picking' 19988 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19988 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19988 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19988 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19988 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19988 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19988 4 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 19988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19988 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19988 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 19988 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $unlabelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 4 '3D HNCO' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 5 '3D HNCACB' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 7 '3D HN(CO)CA' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 8 '3D HNCA' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 10 '3D HNHA' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 13 '3D HCCH-COSY' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 1 14 '3D HNHB' no . . . . . . . . . . 3 $15N-13C_labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19988 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 19988 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.2514495 . . . . . 19988 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 19988 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.1013291 . . . . . 19988 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 19988 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19988 1 2 '2D 1H-1H NOESY' . . . 19988 1 3 '3D CBCA(CO)NH' . . . 19988 1 4 '3D HNCO' . . . 19988 1 5 '3D HNCACB' . . . 19988 1 6 '3D HBHA(CO)NH' . . . 19988 1 8 '3D HNCA' . . . 19988 1 9 '3D HCCH-TOCSY' . . . 19988 1 10 '3D HNHA' . . . 19988 1 11 '3D 1H-15N NOESY' . . . 19988 1 13 '3D HCCH-COSY' . . . 19988 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 19988 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.561 0.012 . . . . . . A 100 PRO HA . 19988 1 2 . 1 1 1 1 PRO HB2 H 1 2.360 0.000 . . . . . . A 100 PRO HB2 . 19988 1 3 . 1 1 1 1 PRO HB3 H 1 1.980 0.000 . . . . . . A 100 PRO HB3 . 19988 1 4 . 1 1 1 1 PRO C C 13 176.422 0.000 . . . . . . A 100 PRO C . 19988 1 5 . 1 1 1 1 PRO CA C 13 63.403 0.059 . . . . . . A 100 PRO CA . 19988 1 6 . 1 1 1 1 PRO CB C 13 32.050 0.027 . . . . . . A 100 PRO CB . 19988 1 7 . 1 1 1 1 PRO CG C 13 27.368 0.000 . . . . . . A 100 PRO CG . 19988 1 8 . 1 1 1 1 PRO CD C 13 50.737 0.000 . . . . . . A 100 PRO CD . 19988 1 9 . 1 1 2 2 TRP H H 1 8.581 0.008 . . . . . . A 101 TRP H . 19988 1 10 . 1 1 2 2 TRP HA H 1 4.939 0.003 . . . . . . A 101 TRP HA . 19988 1 11 . 1 1 2 2 TRP HB2 H 1 3.379 0.009 . . . . . . A 101 TRP HB2 . 19988 1 12 . 1 1 2 2 TRP HB3 H 1 3.227 0.014 . . . . . . A 101 TRP HB3 . 19988 1 13 . 1 1 2 2 TRP HD1 H 1 7.239 0.005 . . . . . . A 101 TRP HD1 . 19988 1 14 . 1 1 2 2 TRP HE1 H 1 9.829 0.021 . . . . . . A 101 TRP HE1 . 19988 1 15 . 1 1 2 2 TRP HE3 H 1 7.688 0.009 . . . . . . A 101 TRP HE3 . 19988 1 16 . 1 1 2 2 TRP HZ2 H 1 6.760 0.009 . . . . . . A 101 TRP HZ2 . 19988 1 17 . 1 1 2 2 TRP HZ3 H 1 7.010 0.003 . . . . . . A 101 TRP HZ3 . 19988 1 18 . 1 1 2 2 TRP HH2 H 1 6.600 0.011 . . . . . . A 101 TRP HH2 . 19988 1 19 . 1 1 2 2 TRP C C 13 175.716 0.000 . . . . . . A 101 TRP C . 19988 1 20 . 1 1 2 2 TRP CA C 13 56.771 0.138 . . . . . . A 101 TRP CA . 19988 1 21 . 1 1 2 2 TRP CB C 13 29.973 0.039 . . . . . . A 101 TRP CB . 19988 1 22 . 1 1 2 2 TRP CD1 C 13 127.920 0.015 . . . . . . A 101 TRP CD1 . 19988 1 23 . 1 1 2 2 TRP CE3 C 13 121.818 0.000 . . . . . . A 101 TRP CE3 . 19988 1 24 . 1 1 2 2 TRP CZ2 C 13 113.559 0.000 . . . . . . A 101 TRP CZ2 . 19988 1 25 . 1 1 2 2 TRP CZ3 C 13 121.924 0.000 . . . . . . A 101 TRP CZ3 . 19988 1 26 . 1 1 2 2 TRP CH2 C 13 123.980 0.000 . . . . . . A 101 TRP CH2 . 19988 1 27 . 1 1 2 2 TRP N N 15 121.689 0.128 . . . . . . A 101 TRP N . 19988 1 28 . 1 1 2 2 TRP NE1 N 15 130.876 0.020 . . . . . . A 101 TRP NE1 . 19988 1 29 . 1 1 5 5 PRO HA H 1 4.226 0.008 . . . . . . A 104 PRO HA . 19988 1 30 . 1 1 5 5 PRO HB2 H 1 2.122 0.005 . . . . . . A 104 PRO HB2 . 19988 1 31 . 1 1 5 5 PRO HB3 H 1 1.840 0.010 . . . . . . A 104 PRO HB3 . 19988 1 32 . 1 1 5 5 PRO HG2 H 1 0.505 0.016 . . . . . . A 104 PRO HG2 . 19988 1 33 . 1 1 5 5 PRO HG3 H 1 0.365 0.027 . . . . . . A 104 PRO HG3 . 19988 1 34 . 1 1 5 5 PRO HD2 H 1 1.223 0.017 . . . . . . A 104 PRO HD2 . 19988 1 35 . 1 1 5 5 PRO C C 13 177.413 0.000 . . . . . . A 104 PRO C . 19988 1 36 . 1 1 5 5 PRO CA C 13 62.522 0.182 . . . . . . A 104 PRO CA . 19988 1 37 . 1 1 5 5 PRO CB C 13 32.719 0.149 . . . . . . A 104 PRO CB . 19988 1 38 . 1 1 5 5 PRO CG C 13 26.448 0.109 . . . . . . A 104 PRO CG . 19988 1 39 . 1 1 5 5 PRO CD C 13 47.811 0.052 . . . . . . A 104 PRO CD . 19988 1 40 . 1 1 6 6 GLU H H 1 8.673 0.007 . . . . . . A 105 GLU H . 19988 1 41 . 1 1 6 6 GLU HA H 1 4.149 0.010 . . . . . . A 105 GLU HA . 19988 1 42 . 1 1 6 6 GLU HB2 H 1 2.068 0.006 . . . . . . A 105 GLU HB2 . 19988 1 43 . 1 1 6 6 GLU HB3 H 1 2.068 0.006 . . . . . . A 105 GLU HB3 . 19988 1 44 . 1 1 6 6 GLU HG2 H 1 2.370 0.015 . . . . . . A 105 GLU HG2 . 19988 1 45 . 1 1 6 6 GLU HG3 H 1 2.370 0.015 . . . . . . A 105 GLU HG3 . 19988 1 46 . 1 1 6 6 GLU C C 13 177.649 0.052 . . . . . . A 105 GLU C . 19988 1 47 . 1 1 6 6 GLU CA C 13 58.786 0.066 . . . . . . A 105 GLU CA . 19988 1 48 . 1 1 6 6 GLU CB C 13 29.973 0.259 . . . . . . A 105 GLU CB . 19988 1 49 . 1 1 6 6 GLU CG C 13 36.434 0.054 . . . . . . A 105 GLU CG . 19988 1 50 . 1 1 6 6 GLU N N 15 119.946 0.123 . . . . . . A 105 GLU N . 19988 1 51 . 1 1 7 7 GLU H H 1 9.385 0.006 . . . . . . A 106 GLU H . 19988 1 52 . 1 1 7 7 GLU HA H 1 4.052 0.019 . . . . . . A 106 GLU HA . 19988 1 53 . 1 1 7 7 GLU HB2 H 1 2.343 0.008 . . . . . . A 106 GLU HB2 . 19988 1 54 . 1 1 7 7 GLU HB3 H 1 2.219 0.014 . . . . . . A 106 GLU HB3 . 19988 1 55 . 1 1 7 7 GLU HG2 H 1 2.608 0.010 . . . . . . A 106 GLU HG2 . 19988 1 56 . 1 1 7 7 GLU HG3 H 1 2.420 0.012 . . . . . . A 106 GLU HG3 . 19988 1 57 . 1 1 7 7 GLU C C 13 174.918 0.006 . . . . . . A 106 GLU C . 19988 1 58 . 1 1 7 7 GLU CA C 13 59.459 0.116 . . . . . . A 106 GLU CA . 19988 1 59 . 1 1 7 7 GLU CB C 13 32.021 3.609 . . . . . . A 106 GLU CB . 19988 1 60 . 1 1 7 7 GLU CG C 13 36.178 2.421 . . . . . . A 106 GLU CG . 19988 1 61 . 1 1 7 7 GLU N N 15 116.207 0.120 . . . . . . A 106 GLU N . 19988 1 62 . 1 1 8 8 LEU H H 1 7.713 0.007 . . . . . . A 107 LEU H . 19988 1 63 . 1 1 8 8 LEU HA H 1 5.163 0.010 . . . . . . A 107 LEU HA . 19988 1 64 . 1 1 8 8 LEU HB2 H 1 1.118 0.009 . . . . . . A 107 LEU HB2 . 19988 1 65 . 1 1 8 8 LEU HB3 H 1 1.408 0.012 . . . . . . A 107 LEU HB3 . 19988 1 66 . 1 1 8 8 LEU HG H 1 1.124 0.006 . . . . . . A 107 LEU HG . 19988 1 67 . 1 1 8 8 LEU HD11 H 1 0.837 0.008 . . . . . . A 107 LEU HD11 . 19988 1 68 . 1 1 8 8 LEU HD12 H 1 0.837 0.008 . . . . . . A 107 LEU HD12 . 19988 1 69 . 1 1 8 8 LEU HD13 H 1 0.837 0.008 . . . . . . A 107 LEU HD13 . 19988 1 70 . 1 1 8 8 LEU HD21 H 1 -0.124 0.007 . . . . . . A 107 LEU HD21 . 19988 1 71 . 1 1 8 8 LEU HD22 H 1 -0.124 0.007 . . . . . . A 107 LEU HD22 . 19988 1 72 . 1 1 8 8 LEU HD23 H 1 -0.124 0.007 . . . . . . A 107 LEU HD23 . 19988 1 73 . 1 1 8 8 LEU C C 13 174.044 0.098 . . . . . . A 107 LEU C . 19988 1 74 . 1 1 8 8 LEU CA C 13 52.618 0.085 . . . . . . A 107 LEU CA . 19988 1 75 . 1 1 8 8 LEU CB C 13 46.059 0.179 . . . . . . A 107 LEU CB . 19988 1 76 . 1 1 8 8 LEU CG C 13 27.337 0.091 . . . . . . A 107 LEU CG . 19988 1 77 . 1 1 8 8 LEU CD1 C 13 23.783 0.200 . . . . . . A 107 LEU CD1 . 19988 1 78 . 1 1 8 8 LEU CD2 C 13 25.984 0.192 . . . . . . A 107 LEU CD2 . 19988 1 79 . 1 1 8 8 LEU N N 15 117.569 0.122 . . . . . . A 107 LEU N . 19988 1 80 . 1 1 9 9 GLU H H 1 8.756 0.010 . . . . . . A 108 GLU H . 19988 1 81 . 1 1 9 9 GLU HA H 1 4.045 0.022 . . . . . . A 108 GLU HA . 19988 1 82 . 1 1 9 9 GLU HB2 H 1 1.752 0.000 . . . . . . A 108 GLU HB2 . 19988 1 83 . 1 1 9 9 GLU HB3 H 1 1.683 0.016 . . . . . . A 108 GLU HB3 . 19988 1 84 . 1 1 9 9 GLU HG2 H 1 1.874 0.006 . . . . . . A 108 GLU HG2 . 19988 1 85 . 1 1 9 9 GLU HG3 H 1 1.779 0.000 . . . . . . A 108 GLU HG3 . 19988 1 86 . 1 1 9 9 GLU C C 13 173.046 0.031 . . . . . . A 108 GLU C . 19988 1 87 . 1 1 9 9 GLU CA C 13 53.654 0.092 . . . . . . A 108 GLU CA . 19988 1 88 . 1 1 9 9 GLU CB C 13 32.770 0.092 . . . . . . A 108 GLU CB . 19988 1 89 . 1 1 9 9 GLU CG C 13 34.606 0.008 . . . . . . A 108 GLU CG . 19988 1 90 . 1 1 9 9 GLU N N 15 115.925 0.167 . . . . . . A 108 GLU N . 19988 1 91 . 1 1 10 10 LEU H H 1 7.578 0.007 . . . . . . A 109 LEU H . 19988 1 92 . 1 1 10 10 LEU HA H 1 4.394 0.015 . . . . . . A 109 LEU HA . 19988 1 93 . 1 1 10 10 LEU HB2 H 1 1.144 0.019 . . . . . . A 109 LEU HB2 . 19988 1 94 . 1 1 10 10 LEU HB3 H 1 0.492 0.019 . . . . . . A 109 LEU HB3 . 19988 1 95 . 1 1 10 10 LEU HG H 1 0.992 0.012 . . . . . . A 109 LEU HG . 19988 1 96 . 1 1 10 10 LEU HD21 H 1 0.665 0.010 . . . . . . A 109 LEU HD21 . 19988 1 97 . 1 1 10 10 LEU HD22 H 1 0.665 0.010 . . . . . . A 109 LEU HD22 . 19988 1 98 . 1 1 10 10 LEU HD23 H 1 0.665 0.010 . . . . . . A 109 LEU HD23 . 19988 1 99 . 1 1 10 10 LEU C C 13 175.840 0.003 . . . . . . A 109 LEU C . 19988 1 100 . 1 1 10 10 LEU CA C 13 52.430 3.311 . . . . . . A 109 LEU CA . 19988 1 101 . 1 1 10 10 LEU CB C 13 41.969 0.150 . . . . . . A 109 LEU CB . 19988 1 102 . 1 1 10 10 LEU CG C 13 26.851 0.061 . . . . . . A 109 LEU CG . 19988 1 103 . 1 1 10 10 LEU CD2 C 13 25.165 0.183 . . . . . . A 109 LEU CD2 . 19988 1 104 . 1 1 10 10 LEU N N 15 123.332 0.112 . . . . . . A 109 LEU N . 19988 1 105 . 1 1 11 11 ALA H H 1 8.682 0.010 . . . . . . A 110 ALA H . 19988 1 106 . 1 1 11 11 ALA HA H 1 4.503 0.013 . . . . . . A 110 ALA HA . 19988 1 107 . 1 1 11 11 ALA HB1 H 1 1.080 0.006 . . . . . . A 110 ALA HB1 . 19988 1 108 . 1 1 11 11 ALA HB2 H 1 1.080 0.006 . . . . . . A 110 ALA HB2 . 19988 1 109 . 1 1 11 11 ALA HB3 H 1 1.080 0.006 . . . . . . A 110 ALA HB3 . 19988 1 110 . 1 1 11 11 ALA C C 13 175.118 0.028 . . . . . . A 110 ALA C . 19988 1 111 . 1 1 11 11 ALA CA C 13 50.489 0.111 . . . . . . A 110 ALA CA . 19988 1 112 . 1 1 11 11 ALA CB C 13 21.980 0.096 . . . . . . A 110 ALA CB . 19988 1 113 . 1 1 11 11 ALA N N 15 128.901 0.136 . . . . . . A 110 ALA N . 19988 1 114 . 1 1 12 12 LEU H H 1 8.152 0.010 . . . . . . A 111 LEU H . 19988 1 115 . 1 1 12 12 LEU HA H 1 4.912 0.014 . . . . . . A 111 LEU HA . 19988 1 116 . 1 1 12 12 LEU HB2 H 1 1.466 0.008 . . . . . . A 111 LEU HB2 . 19988 1 117 . 1 1 12 12 LEU HB3 H 1 1.386 0.010 . . . . . . A 111 LEU HB3 . 19988 1 118 . 1 1 12 12 LEU HG H 1 1.377 0.008 . . . . . . A 111 LEU HG . 19988 1 119 . 1 1 12 12 LEU HD11 H 1 0.716 0.014 . . . . . . A 111 LEU HD11 . 19988 1 120 . 1 1 12 12 LEU HD12 H 1 0.716 0.014 . . . . . . A 111 LEU HD12 . 19988 1 121 . 1 1 12 12 LEU HD13 H 1 0.716 0.014 . . . . . . A 111 LEU HD13 . 19988 1 122 . 1 1 12 12 LEU HD21 H 1 0.716 0.014 . . . . . . A 111 LEU HD21 . 19988 1 123 . 1 1 12 12 LEU HD22 H 1 0.716 0.014 . . . . . . A 111 LEU HD22 . 19988 1 124 . 1 1 12 12 LEU HD23 H 1 0.716 0.014 . . . . . . A 111 LEU HD23 . 19988 1 125 . 1 1 12 12 LEU C C 13 176.659 0.014 . . . . . . A 111 LEU C . 19988 1 126 . 1 1 12 12 LEU CA C 13 53.987 0.016 . . . . . . A 111 LEU CA . 19988 1 127 . 1 1 12 12 LEU CB C 13 44.021 0.047 . . . . . . A 111 LEU CB . 19988 1 128 . 1 1 12 12 LEU CG C 13 27.078 0.110 . . . . . . A 111 LEU CG . 19988 1 129 . 1 1 12 12 LEU CD1 C 13 24.303 0.165 . . . . . . A 111 LEU CD1 . 19988 1 130 . 1 1 12 12 LEU N N 15 121.899 0.079 . . . . . . A 111 LEU N . 19988 1 131 . 1 1 13 13 GLN H H 1 8.824 0.007 . . . . . . A 112 GLN H . 19988 1 132 . 1 1 13 13 GLN HA H 1 4.516 0.003 . . . . . . A 112 GLN HA . 19988 1 133 . 1 1 13 13 GLN HB2 H 1 1.977 0.011 . . . . . . A 112 GLN HB2 . 19988 1 134 . 1 1 13 13 GLN HB3 H 1 1.938 0.002 . . . . . . A 112 GLN HB3 . 19988 1 135 . 1 1 13 13 GLN HG2 H 1 2.190 0.009 . . . . . . A 112 GLN HG2 . 19988 1 136 . 1 1 13 13 GLN HG3 H 1 2.190 0.009 . . . . . . A 112 GLN HG3 . 19988 1 137 . 1 1 13 13 GLN C C 13 175.433 0.001 . . . . . . A 112 GLN C . 19988 1 138 . 1 1 13 13 GLN CA C 13 55.219 0.044 . . . . . . A 112 GLN CA . 19988 1 139 . 1 1 13 13 GLN CB C 13 31.022 0.043 . . . . . . A 112 GLN CB . 19988 1 140 . 1 1 13 13 GLN CG C 13 33.709 0.015 . . . . . . A 112 GLN CG . 19988 1 141 . 1 1 13 13 GLN N N 15 124.125 0.105 . . . . . . A 112 GLN N . 19988 1 142 . 1 1 14 14 ASP H H 1 9.515 0.009 . . . . . . A 113 ASP H . 19988 1 143 . 1 1 14 14 ASP HA H 1 4.300 0.010 . . . . . . A 113 ASP HA . 19988 1 144 . 1 1 14 14 ASP HB2 H 1 2.942 0.009 . . . . . . A 113 ASP HB2 . 19988 1 145 . 1 1 14 14 ASP HB3 H 1 2.652 0.008 . . . . . . A 113 ASP HB3 . 19988 1 146 . 1 1 14 14 ASP C C 13 176.072 0.000 . . . . . . A 113 ASP C . 19988 1 147 . 1 1 14 14 ASP CA C 13 55.627 0.053 . . . . . . A 113 ASP CA . 19988 1 148 . 1 1 14 14 ASP CB C 13 39.773 0.071 . . . . . . A 113 ASP CB . 19988 1 149 . 1 1 14 14 ASP N N 15 128.737 0.090 . . . . . . A 113 ASP N . 19988 1 150 . 1 1 15 15 GLY H H 1 8.530 0.007 . . . . . . A 114 GLY H . 19988 1 151 . 1 1 15 15 GLY HA2 H 1 4.180 0.017 . . . . . . A 114 GLY HA2 . 19988 1 152 . 1 1 15 15 GLY HA3 H 1 3.567 0.005 . . . . . . A 114 GLY HA3 . 19988 1 153 . 1 1 15 15 GLY C C 13 173.692 0.032 . . . . . . A 114 GLY C . 19988 1 154 . 1 1 15 15 GLY CA C 13 45.514 0.076 . . . . . . A 114 GLY CA . 19988 1 155 . 1 1 15 15 GLY N N 15 103.271 0.065 . . . . . . A 114 GLY N . 19988 1 156 . 1 1 16 16 GLN H H 1 7.842 0.006 . . . . . . A 115 GLN H . 19988 1 157 . 1 1 16 16 GLN HA H 1 4.649 0.014 . . . . . . A 115 GLN HA . 19988 1 158 . 1 1 16 16 GLN HB2 H 1 2.172 0.015 . . . . . . A 115 GLN HB2 . 19988 1 159 . 1 1 16 16 GLN HB3 H 1 2.016 0.018 . . . . . . A 115 GLN HB3 . 19988 1 160 . 1 1 16 16 GLN HG2 H 1 2.391 0.011 . . . . . . A 115 GLN HG2 . 19988 1 161 . 1 1 16 16 GLN HG3 H 1 2.356 0.007 . . . . . . A 115 GLN HG3 . 19988 1 162 . 1 1 16 16 GLN C C 13 175.094 0.010 . . . . . . A 115 GLN C . 19988 1 163 . 1 1 16 16 GLN CA C 13 53.785 0.070 . . . . . . A 115 GLN CA . 19988 1 164 . 1 1 16 16 GLN CB C 13 31.045 0.075 . . . . . . A 115 GLN CB . 19988 1 165 . 1 1 16 16 GLN CG C 13 33.200 0.044 . . . . . . A 115 GLN CG . 19988 1 166 . 1 1 16 16 GLN N N 15 119.635 0.089 . . . . . . A 115 GLN N . 19988 1 167 . 1 1 17 17 ARG H H 1 8.727 0.006 . . . . . . A 116 ARG H . 19988 1 168 . 1 1 17 17 ARG HA H 1 4.718 0.014 . . . . . . A 116 ARG HA . 19988 1 169 . 1 1 17 17 ARG HB2 H 1 1.831 0.022 . . . . . . A 116 ARG HB2 . 19988 1 170 . 1 1 17 17 ARG HB3 H 1 1.751 0.014 . . . . . . A 116 ARG HB3 . 19988 1 171 . 1 1 17 17 ARG HG2 H 1 1.575 0.000 . . . . . . A 116 ARG HG2 . 19988 1 172 . 1 1 17 17 ARG HG3 H 1 1.575 0.000 . . . . . . A 116 ARG HG3 . 19988 1 173 . 1 1 17 17 ARG C C 13 175.702 0.051 . . . . . . A 116 ARG C . 19988 1 174 . 1 1 17 17 ARG CA C 13 56.621 0.019 . . . . . . A 116 ARG CA . 19988 1 175 . 1 1 17 17 ARG CB C 13 30.348 0.112 . . . . . . A 116 ARG CB . 19988 1 176 . 1 1 17 17 ARG CG C 13 27.280 0.000 . . . . . . A 116 ARG CG . 19988 1 177 . 1 1 17 17 ARG CD C 13 43.717 0.000 . . . . . . A 116 ARG CD . 19988 1 178 . 1 1 17 17 ARG N N 15 124.694 0.088 . . . . . . A 116 ARG N . 19988 1 179 . 1 1 18 18 CYS H H 1 8.893 0.009 . . . . . . A 117 CYS H . 19988 1 180 . 1 1 18 18 CYS HA H 1 4.950 0.013 . . . . . . A 117 CYS HA . 19988 1 181 . 1 1 18 18 CYS HB2 H 1 3.010 0.018 . . . . . . A 117 CYS HB2 . 19988 1 182 . 1 1 18 18 CYS HB3 H 1 2.831 0.015 . . . . . . A 117 CYS HB3 . 19988 1 183 . 1 1 18 18 CYS C C 13 171.624 0.008 . . . . . . A 117 CYS C . 19988 1 184 . 1 1 18 18 CYS CA C 13 56.249 0.073 . . . . . . A 117 CYS CA . 19988 1 185 . 1 1 18 18 CYS CB C 13 30.804 0.062 . . . . . . A 117 CYS CB . 19988 1 186 . 1 1 18 18 CYS N N 15 121.704 0.125 . . . . . . A 117 CYS N . 19988 1 187 . 1 1 19 19 VAL H H 1 8.236 0.010 . . . . . . A 118 VAL H . 19988 1 188 . 1 1 19 19 VAL HA H 1 4.562 0.007 . . . . . . A 118 VAL HA . 19988 1 189 . 1 1 19 19 VAL HB H 1 1.869 0.013 . . . . . . A 118 VAL HB . 19988 1 190 . 1 1 19 19 VAL HG11 H 1 0.847 0.005 . . . . . . A 118 VAL HG11 . 19988 1 191 . 1 1 19 19 VAL HG12 H 1 0.847 0.005 . . . . . . A 118 VAL HG12 . 19988 1 192 . 1 1 19 19 VAL HG13 H 1 0.847 0.005 . . . . . . A 118 VAL HG13 . 19988 1 193 . 1 1 19 19 VAL HG21 H 1 0.847 0.005 . . . . . . A 118 VAL HG21 . 19988 1 194 . 1 1 19 19 VAL HG22 H 1 0.847 0.005 . . . . . . A 118 VAL HG22 . 19988 1 195 . 1 1 19 19 VAL HG23 H 1 0.847 0.005 . . . . . . A 118 VAL HG23 . 19988 1 196 . 1 1 19 19 VAL C C 13 174.374 0.014 . . . . . . A 118 VAL C . 19988 1 197 . 1 1 19 19 VAL CA C 13 61.711 0.068 . . . . . . A 118 VAL CA . 19988 1 198 . 1 1 19 19 VAL CB C 13 33.294 0.032 . . . . . . A 118 VAL CB . 19988 1 199 . 1 1 19 19 VAL CG1 C 13 23.605 0.000 . . . . . . A 118 VAL CG1 . 19988 1 200 . 1 1 19 19 VAL CG2 C 13 22.130 0.139 . . . . . . A 118 VAL CG2 . 19988 1 201 . 1 1 19 19 VAL N N 15 120.210 0.068 . . . . . . A 118 VAL N . 19988 1 202 . 1 1 20 20 ARG H H 1 9.065 0.007 . . . . . . A 119 ARG H . 19988 1 203 . 1 1 20 20 ARG HA H 1 5.185 0.010 . . . . . . A 119 ARG HA . 19988 1 204 . 1 1 20 20 ARG HB2 H 1 1.432 0.021 . . . . . . A 119 ARG HB2 . 19988 1 205 . 1 1 20 20 ARG HB3 H 1 1.317 0.015 . . . . . . A 119 ARG HB3 . 19988 1 206 . 1 1 20 20 ARG HG2 H 1 1.282 0.017 . . . . . . A 119 ARG HG2 . 19988 1 207 . 1 1 20 20 ARG HG3 H 1 1.282 0.017 . . . . . . A 119 ARG HG3 . 19988 1 208 . 1 1 20 20 ARG HD2 H 1 3.027 0.020 . . . . . . A 119 ARG HD2 . 19988 1 209 . 1 1 20 20 ARG HD3 H 1 2.907 0.016 . . . . . . A 119 ARG HD3 . 19988 1 210 . 1 1 20 20 ARG C C 13 174.449 0.013 . . . . . . A 119 ARG C . 19988 1 211 . 1 1 20 20 ARG CA C 13 53.298 0.255 . . . . . . A 119 ARG CA . 19988 1 212 . 1 1 20 20 ARG CB C 13 35.028 0.092 . . . . . . A 119 ARG CB . 19988 1 213 . 1 1 20 20 ARG CG C 13 26.282 0.047 . . . . . . A 119 ARG CG . 19988 1 214 . 1 1 20 20 ARG CD C 13 43.895 0.064 . . . . . . A 119 ARG CD . 19988 1 215 . 1 1 20 20 ARG N N 15 127.170 0.098 . . . . . . A 119 ARG N . 19988 1 216 . 1 1 21 21 ALA H H 1 8.799 0.010 . . . . . . A 120 ALA H . 19988 1 217 . 1 1 21 21 ALA HA H 1 4.552 0.010 . . . . . . A 120 ALA HA . 19988 1 218 . 1 1 21 21 ALA HB1 H 1 1.618 0.005 . . . . . . A 120 ALA HB1 . 19988 1 219 . 1 1 21 21 ALA HB2 H 1 1.618 0.005 . . . . . . A 120 ALA HB2 . 19988 1 220 . 1 1 21 21 ALA HB3 H 1 1.618 0.005 . . . . . . A 120 ALA HB3 . 19988 1 221 . 1 1 21 21 ALA C C 13 178.901 0.027 . . . . . . A 120 ALA C . 19988 1 222 . 1 1 21 21 ALA CA C 13 52.523 0.079 . . . . . . A 120 ALA CA . 19988 1 223 . 1 1 21 21 ALA CB C 13 18.751 0.055 . . . . . . A 120 ALA CB . 19988 1 224 . 1 1 21 21 ALA N N 15 125.495 0.109 . . . . . . A 120 ALA N . 19988 1 225 . 1 1 22 22 ARG H H 1 9.321 0.006 . . . . . . A 121 ARG H . 19988 1 226 . 1 1 22 22 ARG HA H 1 4.170 0.014 . . . . . . A 121 ARG HA . 19988 1 227 . 1 1 22 22 ARG HB2 H 1 1.809 0.017 . . . . . . A 121 ARG HB2 . 19988 1 228 . 1 1 22 22 ARG HB3 H 1 1.425 0.017 . . . . . . A 121 ARG HB3 . 19988 1 229 . 1 1 22 22 ARG HG2 H 1 1.613 0.007 . . . . . . A 121 ARG HG2 . 19988 1 230 . 1 1 22 22 ARG HG3 H 1 1.368 0.009 . . . . . . A 121 ARG HG3 . 19988 1 231 . 1 1 22 22 ARG HD2 H 1 3.202 0.009 . . . . . . A 121 ARG HD2 . 19988 1 232 . 1 1 22 22 ARG HD3 H 1 3.202 0.009 . . . . . . A 121 ARG HD3 . 19988 1 233 . 1 1 22 22 ARG C C 13 175.255 0.015 . . . . . . A 121 ARG C . 19988 1 234 . 1 1 22 22 ARG CA C 13 57.952 0.070 . . . . . . A 121 ARG CA . 19988 1 235 . 1 1 22 22 ARG CB C 13 31.133 0.163 . . . . . . A 121 ARG CB . 19988 1 236 . 1 1 22 22 ARG CG C 13 28.057 0.099 . . . . . . A 121 ARG CG . 19988 1 237 . 1 1 22 22 ARG CD C 13 43.449 0.113 . . . . . . A 121 ARG CD . 19988 1 238 . 1 1 22 22 ARG N N 15 125.858 0.080 . . . . . . A 121 ARG N . 19988 1 239 . 1 1 23 23 LEU H H 1 7.687 0.006 . . . . . . A 122 LEU H . 19988 1 240 . 1 1 23 23 LEU HA H 1 4.582 0.007 . . . . . . A 122 LEU HA . 19988 1 241 . 1 1 23 23 LEU HB2 H 1 1.790 0.006 . . . . . . A 122 LEU HB2 . 19988 1 242 . 1 1 23 23 LEU HB3 H 1 1.658 0.017 . . . . . . A 122 LEU HB3 . 19988 1 243 . 1 1 23 23 LEU HD11 H 1 0.941 0.011 . . . . . . A 122 LEU HD11 . 19988 1 244 . 1 1 23 23 LEU HD12 H 1 0.941 0.011 . . . . . . A 122 LEU HD12 . 19988 1 245 . 1 1 23 23 LEU HD13 H 1 0.941 0.011 . . . . . . A 122 LEU HD13 . 19988 1 246 . 1 1 23 23 LEU HD21 H 1 0.941 0.011 . . . . . . A 122 LEU HD21 . 19988 1 247 . 1 1 23 23 LEU HD22 H 1 0.941 0.011 . . . . . . A 122 LEU HD22 . 19988 1 248 . 1 1 23 23 LEU HD23 H 1 0.941 0.011 . . . . . . A 122 LEU HD23 . 19988 1 249 . 1 1 23 23 LEU C C 13 174.106 0.004 . . . . . . A 122 LEU C . 19988 1 250 . 1 1 23 23 LEU CA C 13 53.163 0.105 . . . . . . A 122 LEU CA . 19988 1 251 . 1 1 23 23 LEU CB C 13 43.568 0.051 . . . . . . A 122 LEU CB . 19988 1 252 . 1 1 23 23 LEU CG C 13 26.404 0.323 . . . . . . A 122 LEU CG . 19988 1 253 . 1 1 23 23 LEU CD1 C 13 25.621 0.132 . . . . . . A 122 LEU CD1 . 19988 1 254 . 1 1 23 23 LEU N N 15 118.332 0.125 . . . . . . A 122 LEU N . 19988 1 255 . 1 1 24 24 SER H H 1 8.177 0.007 . . . . . . A 123 SER H . 19988 1 256 . 1 1 24 24 SER HA H 1 4.765 0.012 . . . . . . A 123 SER HA . 19988 1 257 . 1 1 24 24 SER HB2 H 1 3.851 0.005 . . . . . . A 123 SER HB2 . 19988 1 258 . 1 1 24 24 SER HB3 H 1 3.851 0.005 . . . . . . A 123 SER HB3 . 19988 1 259 . 1 1 24 24 SER C C 13 174.796 0.000 . . . . . . A 123 SER C . 19988 1 260 . 1 1 24 24 SER CA C 13 58.708 0.113 . . . . . . A 123 SER CA . 19988 1 261 . 1 1 24 24 SER CB C 13 63.021 0.077 . . . . . . A 123 SER CB . 19988 1 262 . 1 1 24 24 SER N N 15 112.317 0.208 . . . . . . A 123 SER N . 19988 1 263 . 1 1 25 25 LEU H H 1 9.345 0.007 . . . . . . A 124 LEU H . 19988 1 264 . 1 1 25 25 LEU HA H 1 4.740 0.017 . . . . . . A 124 LEU HA . 19988 1 265 . 1 1 25 25 LEU HB2 H 1 2.005 0.010 . . . . . . A 124 LEU HB2 . 19988 1 266 . 1 1 25 25 LEU HB3 H 1 1.605 0.007 . . . . . . A 124 LEU HB3 . 19988 1 267 . 1 1 25 25 LEU HD11 H 1 1.151 0.007 . . . . . . A 124 LEU HD11 . 19988 1 268 . 1 1 25 25 LEU HD12 H 1 1.151 0.007 . . . . . . A 124 LEU HD12 . 19988 1 269 . 1 1 25 25 LEU HD13 H 1 1.151 0.007 . . . . . . A 124 LEU HD13 . 19988 1 270 . 1 1 25 25 LEU HD21 H 1 0.949 0.008 . . . . . . A 124 LEU HD21 . 19988 1 271 . 1 1 25 25 LEU HD22 H 1 0.949 0.008 . . . . . . A 124 LEU HD22 . 19988 1 272 . 1 1 25 25 LEU HD23 H 1 0.949 0.008 . . . . . . A 124 LEU HD23 . 19988 1 273 . 1 1 25 25 LEU C C 13 176.310 0.027 . . . . . . A 124 LEU C . 19988 1 274 . 1 1 25 25 LEU CA C 13 53.137 0.128 . . . . . . A 124 LEU CA . 19988 1 275 . 1 1 25 25 LEU CB C 13 43.051 0.041 . . . . . . A 124 LEU CB . 19988 1 276 . 1 1 25 25 LEU CG C 13 26.861 0.000 . . . . . . A 124 LEU CG . 19988 1 277 . 1 1 25 25 LEU CD1 C 13 23.630 0.000 . . . . . . A 124 LEU CD1 . 19988 1 278 . 1 1 25 25 LEU CD2 C 13 22.805 0.000 . . . . . . A 124 LEU CD2 . 19988 1 279 . 1 1 25 25 LEU N N 15 125.721 0.093 . . . . . . A 124 LEU N . 19988 1 280 . 1 1 26 26 THR H H 1 7.415 0.009 . . . . . . A 125 THR H . 19988 1 281 . 1 1 26 26 THR HA H 1 4.234 0.024 . . . . . . A 125 THR HA . 19988 1 282 . 1 1 26 26 THR HB H 1 4.170 0.041 . . . . . . A 125 THR HB . 19988 1 283 . 1 1 26 26 THR HG21 H 1 1.222 0.015 . . . . . . A 125 THR HG21 . 19988 1 284 . 1 1 26 26 THR HG22 H 1 1.222 0.015 . . . . . . A 125 THR HG22 . 19988 1 285 . 1 1 26 26 THR HG23 H 1 1.222 0.015 . . . . . . A 125 THR HG23 . 19988 1 286 . 1 1 26 26 THR C C 13 173.231 0.036 . . . . . . A 125 THR C . 19988 1 287 . 1 1 26 26 THR CA C 13 60.434 0.116 . . . . . . A 125 THR CA . 19988 1 288 . 1 1 26 26 THR CB C 13 70.534 0.279 . . . . . . A 125 THR CB . 19988 1 289 . 1 1 26 26 THR CG2 C 13 21.884 0.150 . . . . . . A 125 THR CG2 . 19988 1 290 . 1 1 26 26 THR N N 15 113.632 0.195 . . . . . . A 125 THR N . 19988 1 291 . 1 1 27 27 GLU H H 1 8.252 0.006 . . . . . . A 126 GLU H . 19988 1 292 . 1 1 27 27 GLU HA H 1 3.449 0.011 . . . . . . A 126 GLU HA . 19988 1 293 . 1 1 27 27 GLU HB2 H 1 1.821 0.021 . . . . . . A 126 GLU HB2 . 19988 1 294 . 1 1 27 27 GLU HB3 H 1 1.734 0.024 . . . . . . A 126 GLU HB3 . 19988 1 295 . 1 1 27 27 GLU HG2 H 1 2.080 0.005 . . . . . . A 126 GLU HG2 . 19988 1 296 . 1 1 27 27 GLU HG3 H 1 2.010 0.006 . . . . . . A 126 GLU HG3 . 19988 1 297 . 1 1 27 27 GLU C C 13 177.541 0.028 . . . . . . A 126 GLU C . 19988 1 298 . 1 1 27 27 GLU CA C 13 58.258 0.109 . . . . . . A 126 GLU CA . 19988 1 299 . 1 1 27 27 GLU CB C 13 29.257 0.180 . . . . . . A 126 GLU CB . 19988 1 300 . 1 1 27 27 GLU CG C 13 35.778 0.053 . . . . . . A 126 GLU CG . 19988 1 301 . 1 1 27 27 GLU N N 15 121.126 0.131 . . . . . . A 126 GLU N . 19988 1 302 . 1 1 28 28 GLY H H 1 8.747 0.010 . . . . . . A 127 GLY H . 19988 1 303 . 1 1 28 28 GLY HA2 H 1 4.359 0.012 . . . . . . A 127 GLY HA2 . 19988 1 304 . 1 1 28 28 GLY HA3 H 1 3.434 0.008 . . . . . . A 127 GLY HA3 . 19988 1 305 . 1 1 28 28 GLY C C 13 174.618 0.018 . . . . . . A 127 GLY C . 19988 1 306 . 1 1 28 28 GLY CA C 13 44.839 0.106 . . . . . . A 127 GLY CA . 19988 1 307 . 1 1 28 28 GLY N N 15 114.185 0.089 . . . . . . A 127 GLY N . 19988 1 308 . 1 1 29 29 LEU H H 1 7.386 0.007 . . . . . . A 128 LEU H . 19988 1 309 . 1 1 29 29 LEU HA H 1 4.002 0.015 . . . . . . A 128 LEU HA . 19988 1 310 . 1 1 29 29 LEU HB2 H 1 1.532 0.014 . . . . . . A 128 LEU HB2 . 19988 1 311 . 1 1 29 29 LEU HB3 H 1 1.408 0.012 . . . . . . A 128 LEU HB3 . 19988 1 312 . 1 1 29 29 LEU HG H 1 0.861 0.016 . . . . . . A 128 LEU HG . 19988 1 313 . 1 1 29 29 LEU HD11 H 1 0.992 0.000 . . . . . . A 128 LEU HD11 . 19988 1 314 . 1 1 29 29 LEU HD12 H 1 0.992 0.000 . . . . . . A 128 LEU HD12 . 19988 1 315 . 1 1 29 29 LEU HD13 H 1 0.992 0.000 . . . . . . A 128 LEU HD13 . 19988 1 316 . 1 1 29 29 LEU HD21 H 1 0.878 0.000 . . . . . . A 128 LEU HD21 . 19988 1 317 . 1 1 29 29 LEU HD22 H 1 0.878 0.000 . . . . . . A 128 LEU HD22 . 19988 1 318 . 1 1 29 29 LEU HD23 H 1 0.878 0.000 . . . . . . A 128 LEU HD23 . 19988 1 319 . 1 1 29 29 LEU C C 13 175.097 0.027 . . . . . . A 128 LEU C . 19988 1 320 . 1 1 29 29 LEU CA C 13 56.743 0.079 . . . . . . A 128 LEU CA . 19988 1 321 . 1 1 29 29 LEU CB C 13 41.777 0.063 . . . . . . A 128 LEU CB . 19988 1 322 . 1 1 29 29 LEU CG C 13 26.944 0.018 . . . . . . A 128 LEU CG . 19988 1 323 . 1 1 29 29 LEU CD1 C 13 24.275 0.000 . . . . . . A 128 LEU CD1 . 19988 1 324 . 1 1 29 29 LEU N N 15 125.575 0.119 . . . . . . A 128 LEU N . 19988 1 325 . 1 1 30 30 SER H H 1 7.844 0.006 . . . . . . A 129 SER H . 19988 1 326 . 1 1 30 30 SER HA H 1 5.632 0.010 . . . . . . A 129 SER HA . 19988 1 327 . 1 1 30 30 SER HB2 H 1 3.846 0.010 . . . . . . A 129 SER HB2 . 19988 1 328 . 1 1 30 30 SER HB3 H 1 3.800 0.014 . . . . . . A 129 SER HB3 . 19988 1 329 . 1 1 30 30 SER C C 13 172.463 0.031 . . . . . . A 129 SER C . 19988 1 330 . 1 1 30 30 SER CA C 13 56.679 0.072 . . . . . . A 129 SER CA . 19988 1 331 . 1 1 30 30 SER CB C 13 67.201 0.080 . . . . . . A 129 SER CB . 19988 1 332 . 1 1 30 30 SER N N 15 117.876 0.058 . . . . . . A 129 SER N . 19988 1 333 . 1 1 31 31 TRP H H 1 9.715 0.006 . . . . . . A 130 TRP H . 19988 1 334 . 1 1 31 31 TRP HA H 1 5.277 0.009 . . . . . . A 130 TRP HA . 19988 1 335 . 1 1 31 31 TRP HB2 H 1 3.880 0.011 . . . . . . A 130 TRP HB2 . 19988 1 336 . 1 1 31 31 TRP HB3 H 1 3.429 0.009 . . . . . . A 130 TRP HB3 . 19988 1 337 . 1 1 31 31 TRP HD1 H 1 7.525 0.008 . . . . . . A 130 TRP HD1 . 19988 1 338 . 1 1 31 31 TRP HE1 H 1 10.281 0.004 . . . . . . A 130 TRP HE1 . 19988 1 339 . 1 1 31 31 TRP HE3 H 1 7.709 0.002 . . . . . . A 130 TRP HE3 . 19988 1 340 . 1 1 31 31 TRP HZ2 H 1 7.149 0.008 . . . . . . A 130 TRP HZ2 . 19988 1 341 . 1 1 31 31 TRP HZ3 H 1 7.024 0.010 . . . . . . A 130 TRP HZ3 . 19988 1 342 . 1 1 31 31 TRP HH2 H 1 6.924 0.007 . . . . . . A 130 TRP HH2 . 19988 1 343 . 1 1 31 31 TRP C C 13 173.949 0.025 . . . . . . A 130 TRP C . 19988 1 344 . 1 1 31 31 TRP CA C 13 58.001 0.092 . . . . . . A 130 TRP CA . 19988 1 345 . 1 1 31 31 TRP CB C 13 32.937 0.102 . . . . . . A 130 TRP CB . 19988 1 346 . 1 1 31 31 TRP CD1 C 13 126.853 0.004 . . . . . . A 130 TRP CD1 . 19988 1 347 . 1 1 31 31 TRP CE3 C 13 121.055 0.012 . . . . . . A 130 TRP CE3 . 19988 1 348 . 1 1 31 31 TRP CZ2 C 13 113.189 0.006 . . . . . . A 130 TRP CZ2 . 19988 1 349 . 1 1 31 31 TRP CH2 C 13 123.607 0.019 . . . . . . A 130 TRP CH2 . 19988 1 350 . 1 1 31 31 TRP N N 15 121.053 0.114 . . . . . . A 130 TRP N . 19988 1 351 . 1 1 31 31 TRP NE1 N 15 130.508 0.017 . . . . . . A 130 TRP NE1 . 19988 1 352 . 1 1 32 32 GLY H H 1 8.040 0.006 . . . . . . A 131 GLY H . 19988 1 353 . 1 1 32 32 GLY HA2 H 1 3.410 0.003 . . . . . . A 131 GLY HA2 . 19988 1 354 . 1 1 32 32 GLY C C 13 169.780 0.000 . . . . . . A 131 GLY C . 19988 1 355 . 1 1 32 32 GLY CA C 13 43.517 0.010 . . . . . . A 131 GLY CA . 19988 1 356 . 1 1 32 32 GLY N N 15 109.234 0.090 . . . . . . A 131 GLY N . 19988 1 357 . 1 1 33 33 PRO HA H 1 2.708 0.010 . . . . . . A 132 PRO HA . 19988 1 358 . 1 1 33 33 PRO HB2 H 1 1.558 0.012 . . . . . . A 132 PRO HB2 . 19988 1 359 . 1 1 33 33 PRO HB3 H 1 1.265 0.007 . . . . . . A 132 PRO HB3 . 19988 1 360 . 1 1 33 33 PRO HG2 H 1 1.831 0.001 . . . . . . A 132 PRO HG2 . 19988 1 361 . 1 1 33 33 PRO HG3 H 1 1.831 0.001 . . . . . . A 132 PRO HG3 . 19988 1 362 . 1 1 33 33 PRO HD2 H 1 3.326 0.002 . . . . . . A 132 PRO HD2 . 19988 1 363 . 1 1 33 33 PRO HD3 H 1 3.176 0.007 . . . . . . A 132 PRO HD3 . 19988 1 364 . 1 1 33 33 PRO C C 13 175.245 0.000 . . . . . . A 132 PRO C . 19988 1 365 . 1 1 33 33 PRO CA C 13 60.742 0.170 . . . . . . A 132 PRO CA . 19988 1 366 . 1 1 33 33 PRO CB C 13 35.037 0.051 . . . . . . A 132 PRO CB . 19988 1 367 . 1 1 33 33 PRO CD C 13 49.998 0.093 . . . . . . A 132 PRO CD . 19988 1 368 . 1 1 34 34 PHE H H 1 8.854 0.012 . . . . . . A 133 PHE H . 19988 1 369 . 1 1 34 34 PHE HA H 1 4.556 0.013 . . . . . . A 133 PHE HA . 19988 1 370 . 1 1 34 34 PHE HB2 H 1 2.795 0.013 . . . . . . A 133 PHE HB2 . 19988 1 371 . 1 1 34 34 PHE HB3 H 1 2.228 0.004 . . . . . . A 133 PHE HB3 . 19988 1 372 . 1 1 34 34 PHE HD1 H 1 6.926 0.009 . . . . . . A 133 PHE HD1 . 19988 1 373 . 1 1 34 34 PHE HD2 H 1 6.926 0.009 . . . . . . A 133 PHE HD2 . 19988 1 374 . 1 1 34 34 PHE HE1 H 1 7.133 0.008 . . . . . . A 133 PHE HE1 . 19988 1 375 . 1 1 34 34 PHE HE2 H 1 7.133 0.008 . . . . . . A 133 PHE HE2 . 19988 1 376 . 1 1 34 34 PHE HZ H 1 7.291 0.014 . . . . . . A 133 PHE HZ . 19988 1 377 . 1 1 34 34 PHE C C 13 174.561 0.017 . . . . . . A 133 PHE C . 19988 1 378 . 1 1 34 34 PHE CA C 13 55.647 0.110 . . . . . . A 133 PHE CA . 19988 1 379 . 1 1 34 34 PHE CB C 13 41.031 0.117 . . . . . . A 133 PHE CB . 19988 1 380 . 1 1 34 34 PHE CD2 C 13 132.671 0.067 . . . . . . A 133 PHE CD2 . 19988 1 381 . 1 1 34 34 PHE CE2 C 13 130.846 0.050 . . . . . . A 133 PHE CE2 . 19988 1 382 . 1 1 34 34 PHE CZ C 13 129.354 0.020 . . . . . . A 133 PHE CZ . 19988 1 383 . 1 1 34 34 PHE N N 15 118.611 0.188 . . . . . . A 133 PHE N . 19988 1 384 . 1 1 35 35 TYR H H 1 8.735 0.007 . . . . . . A 134 TYR H . 19988 1 385 . 1 1 35 35 TYR HA H 1 4.753 0.011 . . . . . . A 134 TYR HA . 19988 1 386 . 1 1 35 35 TYR HB2 H 1 2.896 0.062 . . . . . . A 134 TYR HB2 . 19988 1 387 . 1 1 35 35 TYR HB3 H 1 3.049 0.051 . . . . . . A 134 TYR HB3 . 19988 1 388 . 1 1 35 35 TYR HD1 H 1 7.222 0.007 . . . . . . A 134 TYR HD1 . 19988 1 389 . 1 1 35 35 TYR HD2 H 1 7.222 0.007 . . . . . . A 134 TYR HD2 . 19988 1 390 . 1 1 35 35 TYR HE1 H 1 6.793 0.015 . . . . . . A 134 TYR HE1 . 19988 1 391 . 1 1 35 35 TYR HE2 H 1 6.793 0.015 . . . . . . A 134 TYR HE2 . 19988 1 392 . 1 1 35 35 TYR C C 13 175.261 0.027 . . . . . . A 134 TYR C . 19988 1 393 . 1 1 35 35 TYR CA C 13 58.290 0.084 . . . . . . A 134 TYR CA . 19988 1 394 . 1 1 35 35 TYR CB C 13 38.154 0.088 . . . . . . A 134 TYR CB . 19988 1 395 . 1 1 35 35 TYR CD1 C 13 133.403 0.011 . . . . . . A 134 TYR CD1 . 19988 1 396 . 1 1 35 35 TYR CE1 C 13 117.983 0.020 . . . . . . A 134 TYR CE1 . 19988 1 397 . 1 1 35 35 TYR N N 15 122.925 0.197 . . . . . . A 134 TYR N . 19988 1 398 . 1 1 36 36 GLY H H 1 7.892 0.007 . . . . . . A 135 GLY H . 19988 1 399 . 1 1 36 36 GLY HA2 H 1 4.700 0.007 . . . . . . A 135 GLY HA2 . 19988 1 400 . 1 1 36 36 GLY HA3 H 1 3.776 0.012 . . . . . . A 135 GLY HA3 . 19988 1 401 . 1 1 36 36 GLY C C 13 171.876 0.001 . . . . . . A 135 GLY C . 19988 1 402 . 1 1 36 36 GLY CA C 13 44.964 0.032 . . . . . . A 135 GLY CA . 19988 1 403 . 1 1 36 36 GLY N N 15 111.845 0.109 . . . . . . A 135 GLY N . 19988 1 404 . 1 1 37 37 SER H H 1 8.719 0.008 . . . . . . A 136 SER H . 19988 1 405 . 1 1 37 37 SER HA H 1 4.603 0.013 . . . . . . A 136 SER HA . 19988 1 406 . 1 1 37 37 SER HB2 H 1 3.771 0.011 . . . . . . A 136 SER HB2 . 19988 1 407 . 1 1 37 37 SER HB3 H 1 3.705 0.015 . . . . . . A 136 SER HB3 . 19988 1 408 . 1 1 37 37 SER C C 13 171.887 0.026 . . . . . . A 136 SER C . 19988 1 409 . 1 1 37 37 SER CA C 13 57.276 0.092 . . . . . . A 136 SER CA . 19988 1 410 . 1 1 37 37 SER CB C 13 65.882 0.090 . . . . . . A 136 SER CB . 19988 1 411 . 1 1 37 37 SER N N 15 111.553 0.073 . . . . . . A 136 SER N . 19988 1 412 . 1 1 38 38 ILE H H 1 8.609 0.009 . . . . . . A 137 ILE H . 19988 1 413 . 1 1 38 38 ILE HA H 1 4.559 0.010 . . . . . . A 137 ILE HA . 19988 1 414 . 1 1 38 38 ILE HB H 1 1.616 0.009 . . . . . . A 137 ILE HB . 19988 1 415 . 1 1 38 38 ILE HG12 H 1 1.508 0.006 . . . . . . A 137 ILE HG12 . 19988 1 416 . 1 1 38 38 ILE HG13 H 1 0.683 0.013 . . . . . . A 137 ILE HG13 . 19988 1 417 . 1 1 38 38 ILE HG21 H 1 0.658 0.010 . . . . . . A 137 ILE HG21 . 19988 1 418 . 1 1 38 38 ILE HG22 H 1 0.658 0.010 . . . . . . A 137 ILE HG22 . 19988 1 419 . 1 1 38 38 ILE HG23 H 1 0.658 0.010 . . . . . . A 137 ILE HG23 . 19988 1 420 . 1 1 38 38 ILE HD11 H 1 0.787 0.012 . . . . . . A 137 ILE HD11 . 19988 1 421 . 1 1 38 38 ILE HD12 H 1 0.787 0.012 . . . . . . A 137 ILE HD12 . 19988 1 422 . 1 1 38 38 ILE HD13 H 1 0.787 0.012 . . . . . . A 137 ILE HD13 . 19988 1 423 . 1 1 38 38 ILE C C 13 175.751 0.043 . . . . . . A 137 ILE C . 19988 1 424 . 1 1 38 38 ILE CA C 13 60.788 0.093 . . . . . . A 137 ILE CA . 19988 1 425 . 1 1 38 38 ILE CB C 13 39.372 0.091 . . . . . . A 137 ILE CB . 19988 1 426 . 1 1 38 38 ILE CG1 C 13 28.151 0.169 . . . . . . A 137 ILE CG1 . 19988 1 427 . 1 1 38 38 ILE CG2 C 13 18.955 0.069 . . . . . . A 137 ILE CG2 . 19988 1 428 . 1 1 38 38 ILE CD1 C 13 14.469 0.107 . . . . . . A 137 ILE CD1 . 19988 1 429 . 1 1 38 38 ILE N N 15 122.010 0.083 . . . . . . A 137 ILE N . 19988 1 430 . 1 1 39 39 GLN H H 1 8.897 0.008 . . . . . . A 138 GLN H . 19988 1 431 . 1 1 39 39 GLN HA H 1 4.686 0.000 . . . . . . A 138 GLN HA . 19988 1 432 . 1 1 39 39 GLN C C 13 175.218 0.008 . . . . . . A 138 GLN C . 19988 1 433 . 1 1 39 39 GLN CA C 13 54.394 0.131 . . . . . . A 138 GLN CA . 19988 1 434 . 1 1 39 39 GLN CB C 13 31.463 0.081 . . . . . . A 138 GLN CB . 19988 1 435 . 1 1 39 39 GLN N N 15 127.192 0.201 . . . . . . A 138 GLN N . 19988 1 436 . 1 1 40 40 THR H H 1 8.614 0.007 . . . . . . A 139 THR H . 19988 1 437 . 1 1 40 40 THR HA H 1 4.822 0.012 . . . . . . A 139 THR HA . 19988 1 438 . 1 1 40 40 THR HB H 1 4.201 0.009 . . . . . . A 139 THR HB . 19988 1 439 . 1 1 40 40 THR HG21 H 1 1.237 0.002 . . . . . . A 139 THR HG21 . 19988 1 440 . 1 1 40 40 THR HG22 H 1 1.237 0.002 . . . . . . A 139 THR HG22 . 19988 1 441 . 1 1 40 40 THR HG23 H 1 1.237 0.002 . . . . . . A 139 THR HG23 . 19988 1 442 . 1 1 40 40 THR C C 13 174.453 0.036 . . . . . . A 139 THR C . 19988 1 443 . 1 1 40 40 THR CA C 13 61.273 0.104 . . . . . . A 139 THR CA . 19988 1 444 . 1 1 40 40 THR CB C 13 69.879 0.124 . . . . . . A 139 THR CB . 19988 1 445 . 1 1 40 40 THR CG2 C 13 21.842 0.000 . . . . . . A 139 THR CG2 . 19988 1 446 . 1 1 40 40 THR N N 15 118.272 0.130 . . . . . . A 139 THR N . 19988 1 447 . 1 1 41 41 ARG H H 1 8.427 0.009 . . . . . . A 140 ARG H . 19988 1 448 . 1 1 41 41 ARG HA H 1 4.368 0.007 . . . . . . A 140 ARG HA . 19988 1 449 . 1 1 41 41 ARG HB2 H 1 1.787 0.007 . . . . . . A 140 ARG HB2 . 19988 1 450 . 1 1 41 41 ARG HB3 H 1 1.650 0.000 . . . . . . A 140 ARG HB3 . 19988 1 451 . 1 1 41 41 ARG HD2 H 1 3.190 0.000 . . . . . . A 140 ARG HD2 . 19988 1 452 . 1 1 41 41 ARG HD3 H 1 3.190 0.000 . . . . . . A 140 ARG HD3 . 19988 1 453 . 1 1 41 41 ARG C C 13 175.791 0.009 . . . . . . A 140 ARG C . 19988 1 454 . 1 1 41 41 ARG CA C 13 56.130 0.095 . . . . . . A 140 ARG CA . 19988 1 455 . 1 1 41 41 ARG CB C 13 31.394 0.072 . . . . . . A 140 ARG CB . 19988 1 456 . 1 1 41 41 ARG CG C 13 27.114 0.000 . . . . . . A 140 ARG CG . 19988 1 457 . 1 1 41 41 ARG CD C 13 43.593 0.156 . . . . . . A 140 ARG CD . 19988 1 458 . 1 1 41 41 ARG N N 15 125.609 0.026 . . . . . . A 140 ARG N . 19988 1 459 . 1 1 42 42 ALA H H 1 8.514 0.007 . . . . . . A 141 ALA H . 19988 1 460 . 1 1 42 42 ALA HA H 1 4.321 0.016 . . . . . . A 141 ALA HA . 19988 1 461 . 1 1 42 42 ALA HB1 H 1 1.385 0.012 . . . . . . A 141 ALA HB1 . 19988 1 462 . 1 1 42 42 ALA HB2 H 1 1.385 0.012 . . . . . . A 141 ALA HB2 . 19988 1 463 . 1 1 42 42 ALA HB3 H 1 1.385 0.012 . . . . . . A 141 ALA HB3 . 19988 1 464 . 1 1 42 42 ALA C C 13 177.438 0.015 . . . . . . A 141 ALA C . 19988 1 465 . 1 1 42 42 ALA CA C 13 52.549 0.073 . . . . . . A 141 ALA CA . 19988 1 466 . 1 1 42 42 ALA CB C 13 19.065 0.140 . . . . . . A 141 ALA CB . 19988 1 467 . 1 1 42 42 ALA N N 15 126.259 0.074 . . . . . . A 141 ALA N . 19988 1 468 . 1 1 43 43 LEU H H 1 8.197 0.007 . . . . . . A 142 LEU H . 19988 1 469 . 1 1 43 43 LEU HA H 1 4.366 0.013 . . . . . . A 142 LEU HA . 19988 1 470 . 1 1 43 43 LEU HB2 H 1 1.601 0.018 . . . . . . A 142 LEU HB2 . 19988 1 471 . 1 1 43 43 LEU HB3 H 1 1.601 0.018 . . . . . . A 142 LEU HB3 . 19988 1 472 . 1 1 43 43 LEU HG H 1 1.609 0.020 . . . . . . A 142 LEU HG . 19988 1 473 . 1 1 43 43 LEU HD11 H 1 0.921 0.017 . . . . . . A 142 LEU HD11 . 19988 1 474 . 1 1 43 43 LEU HD12 H 1 0.921 0.017 . . . . . . A 142 LEU HD12 . 19988 1 475 . 1 1 43 43 LEU HD13 H 1 0.921 0.017 . . . . . . A 142 LEU HD13 . 19988 1 476 . 1 1 43 43 LEU HD21 H 1 0.884 0.008 . . . . . . A 142 LEU HD21 . 19988 1 477 . 1 1 43 43 LEU HD22 H 1 0.884 0.008 . . . . . . A 142 LEU HD22 . 19988 1 478 . 1 1 43 43 LEU HD23 H 1 0.884 0.008 . . . . . . A 142 LEU HD23 . 19988 1 479 . 1 1 43 43 LEU C C 13 177.090 0.012 . . . . . . A 142 LEU C . 19988 1 480 . 1 1 43 43 LEU CA C 13 54.990 0.018 . . . . . . A 142 LEU CA . 19988 1 481 . 1 1 43 43 LEU CB C 13 42.582 0.193 . . . . . . A 142 LEU CB . 19988 1 482 . 1 1 43 43 LEU CG C 13 27.034 0.030 . . . . . . A 142 LEU CG . 19988 1 483 . 1 1 43 43 LEU CD1 C 13 24.846 0.053 . . . . . . A 142 LEU CD1 . 19988 1 484 . 1 1 43 43 LEU CD2 C 13 23.597 0.204 . . . . . . A 142 LEU CD2 . 19988 1 485 . 1 1 43 43 LEU N N 15 121.708 0.018 . . . . . . A 142 LEU N . 19988 1 486 . 1 1 44 44 SER H H 1 8.418 0.005 . . . . . . A 143 SER H . 19988 1 487 . 1 1 44 44 SER HA H 1 4.845 0.015 . . . . . . A 143 SER HA . 19988 1 488 . 1 1 44 44 SER HB2 H 1 3.928 0.013 . . . . . . A 143 SER HB2 . 19988 1 489 . 1 1 44 44 SER HB3 H 1 3.857 0.016 . . . . . . A 143 SER HB3 . 19988 1 490 . 1 1 44 44 SER C C 13 173.493 0.000 . . . . . . A 143 SER C . 19988 1 491 . 1 1 44 44 SER CA C 13 55.931 0.197 . . . . . . A 143 SER CA . 19988 1 492 . 1 1 44 44 SER CB C 13 64.046 0.047 . . . . . . A 143 SER CB . 19988 1 493 . 1 1 44 44 SER N N 15 118.236 0.129 . . . . . . A 143 SER N . 19988 1 494 . 1 1 45 45 PRO HA H 1 4.425 0.013 . . . . . . A 144 PRO HA . 19988 1 495 . 1 1 45 45 PRO HB2 H 1 2.331 0.009 . . . . . . A 144 PRO HB2 . 19988 1 496 . 1 1 45 45 PRO HB3 H 1 1.999 0.008 . . . . . . A 144 PRO HB3 . 19988 1 497 . 1 1 45 45 PRO HG2 H 1 2.032 0.005 . . . . . . A 144 PRO HG2 . 19988 1 498 . 1 1 45 45 PRO HG3 H 1 2.032 0.005 . . . . . . A 144 PRO HG3 . 19988 1 499 . 1 1 45 45 PRO HD2 H 1 3.854 0.010 . . . . . . A 144 PRO HD2 . 19988 1 500 . 1 1 45 45 PRO HD3 H 1 3.746 0.000 . . . . . . A 144 PRO HD3 . 19988 1 501 . 1 1 45 45 PRO C C 13 177.228 0.000 . . . . . . A 144 PRO C . 19988 1 502 . 1 1 45 45 PRO CA C 13 64.026 0.046 . . . . . . A 144 PRO CA . 19988 1 503 . 1 1 45 45 PRO CB C 13 32.005 0.072 . . . . . . A 144 PRO CB . 19988 1 504 . 1 1 45 45 PRO CG C 13 27.514 0.012 . . . . . . A 144 PRO CG . 19988 1 505 . 1 1 45 45 PRO CD C 13 50.970 0.000 . . . . . . A 144 PRO CD . 19988 1 506 . 1 1 46 46 GLU H H 1 8.479 0.007 . . . . . . A 145 GLU H . 19988 1 507 . 1 1 46 46 GLU HA H 1 4.264 0.024 . . . . . . A 145 GLU HA . 19988 1 508 . 1 1 46 46 GLU HB2 H 1 2.053 0.022 . . . . . . A 145 GLU HB2 . 19988 1 509 . 1 1 46 46 GLU HB3 H 1 1.938 0.018 . . . . . . A 145 GLU HB3 . 19988 1 510 . 1 1 46 46 GLU HG2 H 1 2.274 0.016 . . . . . . A 145 GLU HG2 . 19988 1 511 . 1 1 46 46 GLU HG3 H 1 2.274 0.016 . . . . . . A 145 GLU HG3 . 19988 1 512 . 1 1 46 46 GLU C C 13 176.258 0.021 . . . . . . A 145 GLU C . 19988 1 513 . 1 1 46 46 GLU CA C 13 57.105 0.028 . . . . . . A 145 GLU CA . 19988 1 514 . 1 1 46 46 GLU CB C 13 29.558 0.147 . . . . . . A 145 GLU CB . 19988 1 515 . 1 1 46 46 GLU CG C 13 36.213 0.045 . . . . . . A 145 GLU CG . 19988 1 516 . 1 1 46 46 GLU N N 15 118.249 0.127 . . . . . . A 145 GLU N . 19988 1 517 . 1 1 47 47 ARG H H 1 7.814 0.007 . . . . . . A 146 ARG H . 19988 1 518 . 1 1 47 47 ARG HA H 1 4.357 0.023 . . . . . . A 146 ARG HA . 19988 1 519 . 1 1 47 47 ARG HB2 H 1 1.912 0.000 . . . . . . A 146 ARG HB2 . 19988 1 520 . 1 1 47 47 ARG HB3 H 1 1.784 0.009 . . . . . . A 146 ARG HB3 . 19988 1 521 . 1 1 47 47 ARG HG2 H 1 1.596 0.014 . . . . . . A 146 ARG HG2 . 19988 1 522 . 1 1 47 47 ARG HG3 H 1 1.596 0.014 . . . . . . A 146 ARG HG3 . 19988 1 523 . 1 1 47 47 ARG HD2 H 1 3.219 0.000 . . . . . . A 146 ARG HD2 . 19988 1 524 . 1 1 47 47 ARG HD3 H 1 3.219 0.000 . . . . . . A 146 ARG HD3 . 19988 1 525 . 1 1 47 47 ARG C C 13 175.537 0.000 . . . . . . A 146 ARG C . 19988 1 526 . 1 1 47 47 ARG CA C 13 55.963 0.081 . . . . . . A 146 ARG CA . 19988 1 527 . 1 1 47 47 ARG CB C 13 29.289 0.000 . . . . . . A 146 ARG CB . 19988 1 528 . 1 1 47 47 ARG N N 15 119.556 0.131 . . . . . . A 146 ARG N . 19988 1 529 . 1 1 50 50 PRO HA H 1 4.467 0.018 . . . . . . A 149 PRO HA . 19988 1 530 . 1 1 50 50 PRO HB2 H 1 2.303 0.015 . . . . . . A 149 PRO HB2 . 19988 1 531 . 1 1 50 50 PRO HB3 H 1 1.976 0.022 . . . . . . A 149 PRO HB3 . 19988 1 532 . 1 1 50 50 PRO HD2 H 1 3.753 0.000 . . . . . . A 149 PRO HD2 . 19988 1 533 . 1 1 50 50 PRO HD3 H 1 3.595 0.000 . . . . . . A 149 PRO HD3 . 19988 1 534 . 1 1 50 50 PRO C C 13 177.074 0.038 . . . . . . A 149 PRO C . 19988 1 535 . 1 1 50 50 PRO CA C 13 63.412 0.021 . . . . . . A 149 PRO CA . 19988 1 536 . 1 1 50 50 PRO CB C 13 32.238 0.107 . . . . . . A 149 PRO CB . 19988 1 537 . 1 1 50 50 PRO CG C 13 27.317 0.000 . . . . . . A 149 PRO CG . 19988 1 538 . 1 1 50 50 PRO CD C 13 50.686 0.000 . . . . . . A 149 PRO CD . 19988 1 539 . 1 1 51 51 GLY H H 1 8.139 0.007 . . . . . . A 150 GLY H . 19988 1 540 . 1 1 51 51 GLY HA2 H 1 4.098 0.011 . . . . . . A 150 GLY HA2 . 19988 1 541 . 1 1 51 51 GLY C C 13 171.221 0.000 . . . . . . A 150 GLY C . 19988 1 542 . 1 1 51 51 GLY CA C 13 44.560 0.069 . . . . . . A 150 GLY CA . 19988 1 543 . 1 1 51 51 GLY N N 15 108.783 0.159 . . . . . . A 150 GLY N . 19988 1 544 . 1 1 52 52 PRO HA H 1 4.481 0.005 . . . . . . A 151 PRO HA . 19988 1 545 . 1 1 52 52 PRO HB2 H 1 2.326 0.004 . . . . . . A 151 PRO HB2 . 19988 1 546 . 1 1 52 52 PRO HB3 H 1 1.977 0.010 . . . . . . A 151 PRO HB3 . 19988 1 547 . 1 1 52 52 PRO C C 13 176.909 0.002 . . . . . . A 151 PRO C . 19988 1 548 . 1 1 52 52 PRO CA C 13 62.663 0.275 . . . . . . A 151 PRO CA . 19988 1 549 . 1 1 52 52 PRO CB C 13 32.428 0.074 . . . . . . A 151 PRO CB . 19988 1 550 . 1 1 52 52 PRO CG C 13 27.407 0.000 . . . . . . A 151 PRO CG . 19988 1 551 . 1 1 52 52 PRO CD C 13 49.622 0.000 . . . . . . A 151 PRO CD . 19988 1 552 . 1 1 53 53 ALA H H 1 8.638 0.006 . . . . . . A 152 ALA H . 19988 1 553 . 1 1 53 53 ALA HA H 1 4.250 0.012 . . . . . . A 152 ALA HA . 19988 1 554 . 1 1 53 53 ALA HB1 H 1 1.496 0.007 . . . . . . A 152 ALA HB1 . 19988 1 555 . 1 1 53 53 ALA HB2 H 1 1.496 0.007 . . . . . . A 152 ALA HB2 . 19988 1 556 . 1 1 53 53 ALA HB3 H 1 1.496 0.007 . . . . . . A 152 ALA HB3 . 19988 1 557 . 1 1 53 53 ALA C C 13 177.242 0.017 . . . . . . A 152 ALA C . 19988 1 558 . 1 1 53 53 ALA CA C 13 53.534 0.120 . . . . . . A 152 ALA CA . 19988 1 559 . 1 1 53 53 ALA CB C 13 19.332 0.074 . . . . . . A 152 ALA CB . 19988 1 560 . 1 1 53 53 ALA N N 15 124.176 0.088 . . . . . . A 152 ALA N . 19988 1 561 . 1 1 54 54 VAL H H 1 7.655 0.005 . . . . . . A 153 VAL H . 19988 1 562 . 1 1 54 54 VAL HA H 1 4.906 0.015 . . . . . . A 153 VAL HA . 19988 1 563 . 1 1 54 54 VAL HB H 1 1.903 0.014 . . . . . . A 153 VAL HB . 19988 1 564 . 1 1 54 54 VAL HG11 H 1 0.879 0.013 . . . . . . A 153 VAL HG11 . 19988 1 565 . 1 1 54 54 VAL HG12 H 1 0.879 0.013 . . . . . . A 153 VAL HG12 . 19988 1 566 . 1 1 54 54 VAL HG13 H 1 0.879 0.013 . . . . . . A 153 VAL HG13 . 19988 1 567 . 1 1 54 54 VAL HG21 H 1 0.798 0.010 . . . . . . A 153 VAL HG21 . 19988 1 568 . 1 1 54 54 VAL HG22 H 1 0.798 0.010 . . . . . . A 153 VAL HG22 . 19988 1 569 . 1 1 54 54 VAL HG23 H 1 0.798 0.010 . . . . . . A 153 VAL HG23 . 19988 1 570 . 1 1 54 54 VAL C C 13 175.243 0.032 . . . . . . A 153 VAL C . 19988 1 571 . 1 1 54 54 VAL CA C 13 60.323 0.115 . . . . . . A 153 VAL CA . 19988 1 572 . 1 1 54 54 VAL CB C 13 34.073 0.067 . . . . . . A 153 VAL CB . 19988 1 573 . 1 1 54 54 VAL CG1 C 13 20.952 0.098 . . . . . . A 153 VAL CG1 . 19988 1 574 . 1 1 54 54 VAL CG2 C 13 22.521 0.054 . . . . . . A 153 VAL CG2 . 19988 1 575 . 1 1 54 54 VAL N N 15 116.171 0.138 . . . . . . A 153 VAL N . 19988 1 576 . 1 1 55 55 THR H H 1 8.834 0.008 . . . . . . A 154 THR H . 19988 1 577 . 1 1 55 55 THR HA H 1 4.547 0.014 . . . . . . A 154 THR HA . 19988 1 578 . 1 1 55 55 THR HB H 1 3.919 0.013 . . . . . . A 154 THR HB . 19988 1 579 . 1 1 55 55 THR HG21 H 1 1.074 0.013 . . . . . . A 154 THR HG21 . 19988 1 580 . 1 1 55 55 THR HG22 H 1 1.074 0.013 . . . . . . A 154 THR HG22 . 19988 1 581 . 1 1 55 55 THR HG23 H 1 1.074 0.013 . . . . . . A 154 THR HG23 . 19988 1 582 . 1 1 55 55 THR C C 13 172.201 0.053 . . . . . . A 154 THR C . 19988 1 583 . 1 1 55 55 THR CA C 13 60.572 0.096 . . . . . . A 154 THR CA . 19988 1 584 . 1 1 55 55 THR CB C 13 71.880 0.085 . . . . . . A 154 THR CB . 19988 1 585 . 1 1 55 55 THR CG2 C 13 21.735 0.159 . . . . . . A 154 THR CG2 . 19988 1 586 . 1 1 55 55 THR N N 15 117.976 0.140 . . . . . . A 154 THR N . 19988 1 587 . 1 1 56 56 LEU H H 1 8.725 0.007 . . . . . . A 155 LEU H . 19988 1 588 . 1 1 56 56 LEU HA H 1 4.435 0.015 . . . . . . A 155 LEU HA . 19988 1 589 . 1 1 56 56 LEU HB2 H 1 1.804 0.006 . . . . . . A 155 LEU HB2 . 19988 1 590 . 1 1 56 56 LEU HB3 H 1 1.285 0.013 . . . . . . A 155 LEU HB3 . 19988 1 591 . 1 1 56 56 LEU HG H 1 1.299 0.011 . . . . . . A 155 LEU HG . 19988 1 592 . 1 1 56 56 LEU HD11 H 1 0.564 0.010 . . . . . . A 155 LEU HD11 . 19988 1 593 . 1 1 56 56 LEU HD12 H 1 0.564 0.010 . . . . . . A 155 LEU HD12 . 19988 1 594 . 1 1 56 56 LEU HD13 H 1 0.564 0.010 . . . . . . A 155 LEU HD13 . 19988 1 595 . 1 1 56 56 LEU HD21 H 1 0.485 0.010 . . . . . . A 155 LEU HD21 . 19988 1 596 . 1 1 56 56 LEU HD22 H 1 0.485 0.010 . . . . . . A 155 LEU HD22 . 19988 1 597 . 1 1 56 56 LEU HD23 H 1 0.485 0.010 . . . . . . A 155 LEU HD23 . 19988 1 598 . 1 1 56 56 LEU C C 13 174.919 0.015 . . . . . . A 155 LEU C . 19988 1 599 . 1 1 56 56 LEU CA C 13 54.200 0.040 . . . . . . A 155 LEU CA . 19988 1 600 . 1 1 56 56 LEU CB C 13 43.344 0.050 . . . . . . A 155 LEU CB . 19988 1 601 . 1 1 56 56 LEU CG C 13 26.626 0.198 . . . . . . A 155 LEU CG . 19988 1 602 . 1 1 56 56 LEU CD1 C 13 24.016 0.111 . . . . . . A 155 LEU CD1 . 19988 1 603 . 1 1 56 56 LEU CD2 C 13 25.601 0.141 . . . . . . A 155 LEU CD2 . 19988 1 604 . 1 1 56 56 LEU N N 15 125.573 0.141 . . . . . . A 155 LEU N . 19988 1 605 . 1 1 57 57 MET H H 1 9.046 0.009 . . . . . . A 156 MET H . 19988 1 606 . 1 1 57 57 MET HA H 1 4.831 0.012 . . . . . . A 156 MET HA . 19988 1 607 . 1 1 57 57 MET HB2 H 1 1.977 0.011 . . . . . . A 156 MET HB2 . 19988 1 608 . 1 1 57 57 MET HB3 H 1 1.977 0.011 . . . . . . A 156 MET HB3 . 19988 1 609 . 1 1 57 57 MET HG2 H 1 2.375 0.002 . . . . . . A 156 MET HG2 . 19988 1 610 . 1 1 57 57 MET HG3 H 1 2.338 0.004 . . . . . . A 156 MET HG3 . 19988 1 611 . 1 1 57 57 MET C C 13 174.332 0.004 . . . . . . A 156 MET C . 19988 1 612 . 1 1 57 57 MET CA C 13 54.277 0.101 . . . . . . A 156 MET CA . 19988 1 613 . 1 1 57 57 MET CB C 13 30.842 0.087 . . . . . . A 156 MET CB . 19988 1 614 . 1 1 57 57 MET CG C 13 31.896 0.000 . . . . . . A 156 MET CG . 19988 1 615 . 1 1 57 57 MET N N 15 129.631 0.076 . . . . . . A 156 MET N . 19988 1 616 . 1 1 58 58 VAL H H 1 7.392 0.007 . . . . . . A 157 VAL H . 19988 1 617 . 1 1 58 58 VAL HA H 1 4.781 0.018 . . . . . . A 157 VAL HA . 19988 1 618 . 1 1 58 58 VAL HB H 1 2.355 0.014 . . . . . . A 157 VAL HB . 19988 1 619 . 1 1 58 58 VAL HG11 H 1 0.723 0.009 . . . . . . A 157 VAL HG11 . 19988 1 620 . 1 1 58 58 VAL HG12 H 1 0.723 0.009 . . . . . . A 157 VAL HG12 . 19988 1 621 . 1 1 58 58 VAL HG13 H 1 0.723 0.009 . . . . . . A 157 VAL HG13 . 19988 1 622 . 1 1 58 58 VAL HG21 H 1 0.570 0.015 . . . . . . A 157 VAL HG21 . 19988 1 623 . 1 1 58 58 VAL HG22 H 1 0.570 0.015 . . . . . . A 157 VAL HG22 . 19988 1 624 . 1 1 58 58 VAL HG23 H 1 0.570 0.015 . . . . . . A 157 VAL HG23 . 19988 1 625 . 1 1 58 58 VAL C C 13 175.150 0.026 . . . . . . A 157 VAL C . 19988 1 626 . 1 1 58 58 VAL CA C 13 58.419 0.080 . . . . . . A 157 VAL CA . 19988 1 627 . 1 1 58 58 VAL CB C 13 36.266 0.204 . . . . . . A 157 VAL CB . 19988 1 628 . 1 1 58 58 VAL CG1 C 13 22.607 0.137 . . . . . . A 157 VAL CG1 . 19988 1 629 . 1 1 58 58 VAL CG2 C 13 18.733 0.096 . . . . . . A 157 VAL CG2 . 19988 1 630 . 1 1 58 58 VAL N N 15 114.943 0.116 . . . . . . A 157 VAL N . 19988 1 631 . 1 1 59 59 ASP H H 1 8.917 0.005 . . . . . . A 158 ASP H . 19988 1 632 . 1 1 59 59 ASP HA H 1 4.490 0.011 . . . . . . A 158 ASP HA . 19988 1 633 . 1 1 59 59 ASP HB2 H 1 2.756 0.020 . . . . . . A 158 ASP HB2 . 19988 1 634 . 1 1 59 59 ASP HB3 H 1 2.625 0.021 . . . . . . A 158 ASP HB3 . 19988 1 635 . 1 1 59 59 ASP C C 13 177.393 0.051 . . . . . . A 158 ASP C . 19988 1 636 . 1 1 59 59 ASP CA C 13 55.171 0.102 . . . . . . A 158 ASP CA . 19988 1 637 . 1 1 59 59 ASP CB C 13 42.484 0.075 . . . . . . A 158 ASP CB . 19988 1 638 . 1 1 59 59 ASP N N 15 121.797 0.029 . . . . . . A 158 ASP N . 19988 1 639 . 1 1 60 60 GLU H H 1 8.778 0.005 . . . . . . A 159 GLU H . 19988 1 640 . 1 1 60 60 GLU HA H 1 3.867 0.007 . . . . . . A 159 GLU HA . 19988 1 641 . 1 1 60 60 GLU HB2 H 1 2.042 0.019 . . . . . . A 159 GLU HB2 . 19988 1 642 . 1 1 60 60 GLU HB3 H 1 2.042 0.019 . . . . . . A 159 GLU HB3 . 19988 1 643 . 1 1 60 60 GLU HG2 H 1 2.313 0.004 . . . . . . A 159 GLU HG2 . 19988 1 644 . 1 1 60 60 GLU HG3 H 1 2.313 0.004 . . . . . . A 159 GLU HG3 . 19988 1 645 . 1 1 60 60 GLU C C 13 177.007 0.038 . . . . . . A 159 GLU C . 19988 1 646 . 1 1 60 60 GLU CA C 13 59.472 0.115 . . . . . . A 159 GLU CA . 19988 1 647 . 1 1 60 60 GLU CB C 13 29.512 0.130 . . . . . . A 159 GLU CB . 19988 1 648 . 1 1 60 60 GLU CG C 13 36.213 0.018 . . . . . . A 159 GLU CG . 19988 1 649 . 1 1 60 60 GLU N N 15 122.457 0.114 . . . . . . A 159 GLU N . 19988 1 650 . 1 1 61 61 SER H H 1 8.346 0.006 . . . . . . A 160 SER H . 19988 1 651 . 1 1 61 61 SER HA H 1 4.369 0.016 . . . . . . A 160 SER HA . 19988 1 652 . 1 1 61 61 SER HB2 H 1 4.051 0.007 . . . . . . A 160 SER HB2 . 19988 1 653 . 1 1 61 61 SER HB3 H 1 3.906 0.016 . . . . . . A 160 SER HB3 . 19988 1 654 . 1 1 61 61 SER C C 13 174.257 0.032 . . . . . . A 160 SER C . 19988 1 655 . 1 1 61 61 SER CA C 13 58.486 0.087 . . . . . . A 160 SER CA . 19988 1 656 . 1 1 61 61 SER CB C 13 63.796 0.094 . . . . . . A 160 SER CB . 19988 1 657 . 1 1 61 61 SER N N 15 111.958 0.057 . . . . . . A 160 SER N . 19988 1 658 . 1 1 62 62 CYS H H 1 7.860 0.007 . . . . . . A 161 CYS H . 19988 1 659 . 1 1 62 62 CYS HA H 1 4.325 0.017 . . . . . . A 161 CYS HA . 19988 1 660 . 1 1 62 62 CYS HB2 H 1 3.135 0.008 . . . . . . A 161 CYS HB2 . 19988 1 661 . 1 1 62 62 CYS HB3 H 1 2.677 0.015 . . . . . . A 161 CYS HB3 . 19988 1 662 . 1 1 62 62 CYS C C 13 177.266 0.013 . . . . . . A 161 CYS C . 19988 1 663 . 1 1 62 62 CYS CA C 13 59.255 0.118 . . . . . . A 161 CYS CA . 19988 1 664 . 1 1 62 62 CYS CB C 13 27.776 0.071 . . . . . . A 161 CYS CB . 19988 1 665 . 1 1 62 62 CYS N N 15 124.230 0.030 . . . . . . A 161 CYS N . 19988 1 666 . 1 1 63 63 TRP H H 1 8.297 0.010 . . . . . . A 162 TRP H . 19988 1 667 . 1 1 63 63 TRP HA H 1 4.261 0.019 . . . . . . A 162 TRP HA . 19988 1 668 . 1 1 63 63 TRP HB2 H 1 3.183 0.013 . . . . . . A 162 TRP HB2 . 19988 1 669 . 1 1 63 63 TRP HB3 H 1 2.661 0.014 . . . . . . A 162 TRP HB3 . 19988 1 670 . 1 1 63 63 TRP HD1 H 1 7.233 0.009 . . . . . . A 162 TRP HD1 . 19988 1 671 . 1 1 63 63 TRP HE1 H 1 10.026 0.010 . . . . . . A 162 TRP HE1 . 19988 1 672 . 1 1 63 63 TRP HE3 H 1 7.170 0.012 . . . . . . A 162 TRP HE3 . 19988 1 673 . 1 1 63 63 TRP HZ2 H 1 6.676 0.007 . . . . . . A 162 TRP HZ2 . 19988 1 674 . 1 1 63 63 TRP HZ3 H 1 6.458 0.007 . . . . . . A 162 TRP HZ3 . 19988 1 675 . 1 1 63 63 TRP HH2 H 1 6.224 0.008 . . . . . . A 162 TRP HH2 . 19988 1 676 . 1 1 63 63 TRP C C 13 176.655 0.028 . . . . . . A 162 TRP C . 19988 1 677 . 1 1 63 63 TRP CA C 13 59.570 0.093 . . . . . . A 162 TRP CA . 19988 1 678 . 1 1 63 63 TRP CB C 13 27.763 0.087 . . . . . . A 162 TRP CB . 19988 1 679 . 1 1 63 63 TRP CD1 C 13 127.570 0.004 . . . . . . A 162 TRP CD1 . 19988 1 680 . 1 1 63 63 TRP CE3 C 13 119.666 0.002 . . . . . . A 162 TRP CE3 . 19988 1 681 . 1 1 63 63 TRP CZ2 C 13 114.262 0.019 . . . . . . A 162 TRP CZ2 . 19988 1 682 . 1 1 63 63 TRP CZ3 C 13 121.824 0.009 . . . . . . A 162 TRP CZ3 . 19988 1 683 . 1 1 63 63 TRP CH2 C 13 125.052 0.008 . . . . . . A 162 TRP CH2 . 19988 1 684 . 1 1 63 63 TRP N N 15 132.216 0.125 . . . . . . A 162 TRP N . 19988 1 685 . 1 1 63 63 TRP NE1 N 15 130.680 0.020 . . . . . . A 162 TRP NE1 . 19988 1 686 . 1 1 64 64 LEU H H 1 6.557 0.007 . . . . . . A 163 LEU H . 19988 1 687 . 1 1 64 64 LEU HA H 1 3.156 0.014 . . . . . . A 163 LEU HA . 19988 1 688 . 1 1 64 64 LEU HB2 H 1 0.944 0.015 . . . . . . A 163 LEU HB2 . 19988 1 689 . 1 1 64 64 LEU HB3 H 1 0.846 0.018 . . . . . . A 163 LEU HB3 . 19988 1 690 . 1 1 64 64 LEU HG H 1 -0.317 0.013 . . . . . . A 163 LEU HG . 19988 1 691 . 1 1 64 64 LEU HD11 H 1 -0.279 0.007 . . . . . . A 163 LEU HD11 . 19988 1 692 . 1 1 64 64 LEU HD12 H 1 -0.279 0.007 . . . . . . A 163 LEU HD12 . 19988 1 693 . 1 1 64 64 LEU HD13 H 1 -0.279 0.007 . . . . . . A 163 LEU HD13 . 19988 1 694 . 1 1 64 64 LEU HD21 H 1 -0.789 0.008 . . . . . . A 163 LEU HD21 . 19988 1 695 . 1 1 64 64 LEU HD22 H 1 -0.789 0.008 . . . . . . A 163 LEU HD22 . 19988 1 696 . 1 1 64 64 LEU HD23 H 1 -0.789 0.008 . . . . . . A 163 LEU HD23 . 19988 1 697 . 1 1 64 64 LEU C C 13 179.052 0.024 . . . . . . A 163 LEU C . 19988 1 698 . 1 1 64 64 LEU CA C 13 56.800 0.051 . . . . . . A 163 LEU CA . 19988 1 699 . 1 1 64 64 LEU CB C 13 41.697 0.045 . . . . . . A 163 LEU CB . 19988 1 700 . 1 1 64 64 LEU CG C 13 26.165 0.076 . . . . . . A 163 LEU CG . 19988 1 701 . 1 1 64 64 LEU CD1 C 13 23.763 0.061 . . . . . . A 163 LEU CD1 . 19988 1 702 . 1 1 64 64 LEU CD2 C 13 20.098 0.071 . . . . . . A 163 LEU CD2 . 19988 1 703 . 1 1 64 64 LEU N N 15 118.647 0.060 . . . . . . A 163 LEU N . 19988 1 704 . 1 1 65 65 ARG H H 1 7.380 0.007 . . . . . . A 164 ARG H . 19988 1 705 . 1 1 65 65 ARG HA H 1 3.842 0.017 . . . . . . A 164 ARG HA . 19988 1 706 . 1 1 65 65 ARG HB2 H 1 1.777 0.015 . . . . . . A 164 ARG HB2 . 19988 1 707 . 1 1 65 65 ARG HB3 H 1 1.777 0.015 . . . . . . A 164 ARG HB3 . 19988 1 708 . 1 1 65 65 ARG HG2 H 1 1.505 0.000 . . . . . . A 164 ARG HG2 . 19988 1 709 . 1 1 65 65 ARG HG3 H 1 1.577 0.002 . . . . . . A 164 ARG HG3 . 19988 1 710 . 1 1 65 65 ARG HD2 H 1 3.188 0.006 . . . . . . A 164 ARG HD2 . 19988 1 711 . 1 1 65 65 ARG HD3 H 1 3.188 0.006 . . . . . . A 164 ARG HD3 . 19988 1 712 . 1 1 65 65 ARG C C 13 176.507 0.003 . . . . . . A 164 ARG C . 19988 1 713 . 1 1 65 65 ARG CA C 13 58.043 0.089 . . . . . . A 164 ARG CA . 19988 1 714 . 1 1 65 65 ARG CB C 13 30.289 0.089 . . . . . . A 164 ARG CB . 19988 1 715 . 1 1 65 65 ARG CG C 13 28.128 0.000 . . . . . . A 164 ARG CG . 19988 1 716 . 1 1 65 65 ARG CD C 13 43.922 0.304 . . . . . . A 164 ARG CD . 19988 1 717 . 1 1 65 65 ARG N N 15 114.192 0.069 . . . . . . A 164 ARG N . 19988 1 718 . 1 1 66 66 MET H H 1 7.893 0.007 . . . . . . A 165 MET H . 19988 1 719 . 1 1 66 66 MET HA H 1 4.394 0.010 . . . . . . A 165 MET HA . 19988 1 720 . 1 1 66 66 MET HB2 H 1 2.740 0.000 . . . . . . A 165 MET HB2 . 19988 1 721 . 1 1 66 66 MET HB3 H 1 2.271 0.000 . . . . . . A 165 MET HB3 . 19988 1 722 . 1 1 66 66 MET HG2 H 1 2.786 0.011 . . . . . . A 165 MET HG2 . 19988 1 723 . 1 1 66 66 MET HG3 H 1 2.665 0.007 . . . . . . A 165 MET HG3 . 19988 1 724 . 1 1 66 66 MET C C 13 176.330 0.034 . . . . . . A 165 MET C . 19988 1 725 . 1 1 66 66 MET CA C 13 55.206 0.148 . . . . . . A 165 MET CA . 19988 1 726 . 1 1 66 66 MET CB C 13 33.038 0.171 . . . . . . A 165 MET CB . 19988 1 727 . 1 1 66 66 MET CG C 13 33.341 0.036 . . . . . . A 165 MET CG . 19988 1 728 . 1 1 66 66 MET N N 15 115.197 0.141 . . . . . . A 165 MET N . 19988 1 729 . 1 1 67 67 LEU H H 1 6.970 0.009 . . . . . . A 166 LEU H . 19988 1 730 . 1 1 67 67 LEU HA H 1 4.432 0.013 . . . . . . A 166 LEU HA . 19988 1 731 . 1 1 67 67 LEU HB2 H 1 1.822 0.000 . . . . . . A 166 LEU HB2 . 19988 1 732 . 1 1 67 67 LEU HB3 H 1 1.086 0.001 . . . . . . A 166 LEU HB3 . 19988 1 733 . 1 1 67 67 LEU HD11 H 1 0.916 0.000 . . . . . . A 166 LEU HD11 . 19988 1 734 . 1 1 67 67 LEU HD12 H 1 0.916 0.000 . . . . . . A 166 LEU HD12 . 19988 1 735 . 1 1 67 67 LEU HD13 H 1 0.916 0.000 . . . . . . A 166 LEU HD13 . 19988 1 736 . 1 1 67 67 LEU HD21 H 1 0.846 0.000 . . . . . . A 166 LEU HD21 . 19988 1 737 . 1 1 67 67 LEU HD22 H 1 0.846 0.000 . . . . . . A 166 LEU HD22 . 19988 1 738 . 1 1 67 67 LEU HD23 H 1 0.846 0.000 . . . . . . A 166 LEU HD23 . 19988 1 739 . 1 1 67 67 LEU C C 13 174.419 0.000 . . . . . . A 166 LEU C . 19988 1 740 . 1 1 67 67 LEU CA C 13 52.573 0.065 . . . . . . A 166 LEU CA . 19988 1 741 . 1 1 67 67 LEU CB C 13 42.127 0.000 . . . . . . A 166 LEU CB . 19988 1 742 . 1 1 67 67 LEU N N 15 118.629 0.036 . . . . . . A 166 LEU N . 19988 1 743 . 1 1 68 68 PRO HA H 1 4.540 0.006 . . . . . . A 167 PRO HA . 19988 1 744 . 1 1 68 68 PRO HB2 H 1 2.333 0.014 . . . . . . A 167 PRO HB2 . 19988 1 745 . 1 1 68 68 PRO HB3 H 1 1.985 0.113 . . . . . . A 167 PRO HB3 . 19988 1 746 . 1 1 68 68 PRO HG2 H 1 2.014 0.020 . . . . . . A 167 PRO HG2 . 19988 1 747 . 1 1 68 68 PRO HG3 H 1 2.014 0.020 . . . . . . A 167 PRO HG3 . 19988 1 748 . 1 1 68 68 PRO HD2 H 1 3.748 0.011 . . . . . . A 167 PRO HD2 . 19988 1 749 . 1 1 68 68 PRO HD3 H 1 3.664 0.034 . . . . . . A 167 PRO HD3 . 19988 1 750 . 1 1 68 68 PRO C C 13 175.900 0.071 . . . . . . A 167 PRO C . 19988 1 751 . 1 1 68 68 PRO CA C 13 63.100 0.087 . . . . . . A 167 PRO CA . 19988 1 752 . 1 1 68 68 PRO CB C 13 31.647 0.101 . . . . . . A 167 PRO CB . 19988 1 753 . 1 1 68 68 PRO CG C 13 27.380 0.072 . . . . . . A 167 PRO CG . 19988 1 754 . 1 1 68 68 PRO CD C 13 50.875 0.000 . . . . . . A 167 PRO CD . 19988 1 755 . 1 1 69 69 GLN H H 1 8.520 0.011 . . . . . . A 168 GLN H . 19988 1 756 . 1 1 69 69 GLN HA H 1 5.512 0.013 . . . . . . A 168 GLN HA . 19988 1 757 . 1 1 69 69 GLN HB2 H 1 2.024 0.008 . . . . . . A 168 GLN HB2 . 19988 1 758 . 1 1 69 69 GLN HB3 H 1 1.945 0.014 . . . . . . A 168 GLN HB3 . 19988 1 759 . 1 1 69 69 GLN HG2 H 1 2.156 0.011 . . . . . . A 168 GLN HG2 . 19988 1 760 . 1 1 69 69 GLN HG3 H 1 2.493 0.020 . . . . . . A 168 GLN HG3 . 19988 1 761 . 1 1 69 69 GLN HE21 H 1 8.188 0.005 . . . . . . A 168 GLN HE21 . 19988 1 762 . 1 1 69 69 GLN HE22 H 1 6.698 0.003 . . . . . . A 168 GLN HE22 . 19988 1 763 . 1 1 69 69 GLN C C 13 177.666 0.034 . . . . . . A 168 GLN C . 19988 1 764 . 1 1 69 69 GLN CA C 13 54.104 0.166 . . . . . . A 168 GLN CA . 19988 1 765 . 1 1 69 69 GLN CB C 13 29.767 0.065 . . . . . . A 168 GLN CB . 19988 1 766 . 1 1 69 69 GLN CG C 13 33.212 0.021 . . . . . . A 168 GLN CG . 19988 1 767 . 1 1 69 69 GLN N N 15 122.538 0.081 . . . . . . A 168 GLN N . 19988 1 768 . 1 1 69 69 GLN NE2 N 15 110.028 0.014 . . . . . . A 168 GLN NE2 . 19988 1 769 . 1 1 70 70 VAL H H 1 9.070 0.006 . . . . . . A 169 VAL H . 19988 1 770 . 1 1 70 70 VAL HA H 1 4.859 0.014 . . . . . . A 169 VAL HA . 19988 1 771 . 1 1 70 70 VAL HB H 1 2.275 0.015 . . . . . . A 169 VAL HB . 19988 1 772 . 1 1 70 70 VAL HG11 H 1 0.907 0.014 . . . . . . A 169 VAL HG11 . 19988 1 773 . 1 1 70 70 VAL HG12 H 1 0.907 0.014 . . . . . . A 169 VAL HG12 . 19988 1 774 . 1 1 70 70 VAL HG13 H 1 0.907 0.014 . . . . . . A 169 VAL HG13 . 19988 1 775 . 1 1 70 70 VAL HG21 H 1 0.669 0.006 . . . . . . A 169 VAL HG21 . 19988 1 776 . 1 1 70 70 VAL HG22 H 1 0.669 0.006 . . . . . . A 169 VAL HG22 . 19988 1 777 . 1 1 70 70 VAL HG23 H 1 0.669 0.006 . . . . . . A 169 VAL HG23 . 19988 1 778 . 1 1 70 70 VAL C C 13 176.343 0.025 . . . . . . A 169 VAL C . 19988 1 779 . 1 1 70 70 VAL CA C 13 58.940 0.141 . . . . . . A 169 VAL CA . 19988 1 780 . 1 1 70 70 VAL CB C 13 34.611 0.168 . . . . . . A 169 VAL CB . 19988 1 781 . 1 1 70 70 VAL CG1 C 13 22.825 0.064 . . . . . . A 169 VAL CG1 . 19988 1 782 . 1 1 70 70 VAL CG2 C 13 18.140 0.047 . . . . . . A 169 VAL CG2 . 19988 1 783 . 1 1 70 70 VAL N N 15 116.078 0.045 . . . . . . A 169 VAL N . 19988 1 784 . 1 1 71 71 LEU H H 1 8.616 0.007 . . . . . . A 170 LEU H . 19988 1 785 . 1 1 71 71 LEU HA H 1 4.592 0.009 . . . . . . A 170 LEU HA . 19988 1 786 . 1 1 71 71 LEU HB2 H 1 1.772 0.012 . . . . . . A 170 LEU HB2 . 19988 1 787 . 1 1 71 71 LEU HB3 H 1 1.772 0.012 . . . . . . A 170 LEU HB3 . 19988 1 788 . 1 1 71 71 LEU HG H 1 1.732 0.000 . . . . . . A 170 LEU HG . 19988 1 789 . 1 1 71 71 LEU HD11 H 1 0.990 0.019 . . . . . . A 170 LEU HD11 . 19988 1 790 . 1 1 71 71 LEU HD12 H 1 0.990 0.019 . . . . . . A 170 LEU HD12 . 19988 1 791 . 1 1 71 71 LEU HD13 H 1 0.990 0.019 . . . . . . A 170 LEU HD13 . 19988 1 792 . 1 1 71 71 LEU HD21 H 1 0.933 0.009 . . . . . . A 170 LEU HD21 . 19988 1 793 . 1 1 71 71 LEU HD22 H 1 0.933 0.009 . . . . . . A 170 LEU HD22 . 19988 1 794 . 1 1 71 71 LEU HD23 H 1 0.933 0.009 . . . . . . A 170 LEU HD23 . 19988 1 795 . 1 1 71 71 LEU C C 13 178.106 0.025 . . . . . . A 170 LEU C . 19988 1 796 . 1 1 71 71 LEU CA C 13 55.888 0.071 . . . . . . A 170 LEU CA . 19988 1 797 . 1 1 71 71 LEU CB C 13 43.934 0.180 . . . . . . A 170 LEU CB . 19988 1 798 . 1 1 71 71 LEU CG C 13 27.256 0.079 . . . . . . A 170 LEU CG . 19988 1 799 . 1 1 71 71 LEU CD1 C 13 25.208 0.130 . . . . . . A 170 LEU CD1 . 19988 1 800 . 1 1 71 71 LEU CD2 C 13 22.843 0.045 . . . . . . A 170 LEU CD2 . 19988 1 801 . 1 1 71 71 LEU N N 15 118.127 0.128 . . . . . . A 170 LEU N . 19988 1 802 . 1 1 72 72 THR H H 1 7.224 0.007 . . . . . . A 171 THR H . 19988 1 803 . 1 1 72 72 THR HA H 1 4.795 0.017 . . . . . . A 171 THR HA . 19988 1 804 . 1 1 72 72 THR HB H 1 4.641 0.018 . . . . . . A 171 THR HB . 19988 1 805 . 1 1 72 72 THR HG21 H 1 1.233 0.007 . . . . . . A 171 THR HG21 . 19988 1 806 . 1 1 72 72 THR HG22 H 1 1.233 0.007 . . . . . . A 171 THR HG22 . 19988 1 807 . 1 1 72 72 THR HG23 H 1 1.233 0.007 . . . . . . A 171 THR HG23 . 19988 1 808 . 1 1 72 72 THR C C 13 174.293 0.036 . . . . . . A 171 THR C . 19988 1 809 . 1 1 72 72 THR CA C 13 58.935 0.122 . . . . . . A 171 THR CA . 19988 1 810 . 1 1 72 72 THR CB C 13 71.215 0.075 . . . . . . A 171 THR CB . 19988 1 811 . 1 1 72 72 THR CG2 C 13 21.918 0.018 . . . . . . A 171 THR CG2 . 19988 1 812 . 1 1 72 72 THR N N 15 106.822 0.241 . . . . . . A 171 THR N . 19988 1 813 . 1 1 73 73 GLU H H 1 9.059 0.005 . . . . . . A 172 GLU H . 19988 1 814 . 1 1 73 73 GLU HA H 1 3.836 0.012 . . . . . . A 172 GLU HA . 19988 1 815 . 1 1 73 73 GLU HB2 H 1 2.035 0.018 . . . . . . A 172 GLU HB2 . 19988 1 816 . 1 1 73 73 GLU HB3 H 1 2.035 0.018 . . . . . . A 172 GLU HB3 . 19988 1 817 . 1 1 73 73 GLU HG2 H 1 2.303 0.005 . . . . . . A 172 GLU HG2 . 19988 1 818 . 1 1 73 73 GLU HG3 H 1 2.303 0.005 . . . . . . A 172 GLU HG3 . 19988 1 819 . 1 1 73 73 GLU C C 13 178.898 0.003 . . . . . . A 172 GLU C . 19988 1 820 . 1 1 73 73 GLU CA C 13 59.547 0.052 . . . . . . A 172 GLU CA . 19988 1 821 . 1 1 73 73 GLU CB C 13 29.759 0.233 . . . . . . A 172 GLU CB . 19988 1 822 . 1 1 73 73 GLU CG C 13 36.833 0.046 . . . . . . A 172 GLU CG . 19988 1 823 . 1 1 73 73 GLU N N 15 121.961 0.109 . . . . . . A 172 GLU N . 19988 1 824 . 1 1 74 74 GLU H H 1 8.683 0.010 . . . . . . A 173 GLU H . 19988 1 825 . 1 1 74 74 GLU HA H 1 3.977 0.016 . . . . . . A 173 GLU HA . 19988 1 826 . 1 1 74 74 GLU HB2 H 1 2.051 0.012 . . . . . . A 173 GLU HB2 . 19988 1 827 . 1 1 74 74 GLU HB3 H 1 1.929 0.010 . . . . . . A 173 GLU HB3 . 19988 1 828 . 1 1 74 74 GLU HG2 H 1 2.352 0.014 . . . . . . A 173 GLU HG2 . 19988 1 829 . 1 1 74 74 GLU HG3 H 1 2.277 0.011 . . . . . . A 173 GLU HG3 . 19988 1 830 . 1 1 74 74 GLU C C 13 177.243 0.002 . . . . . . A 173 GLU C . 19988 1 831 . 1 1 74 74 GLU CA C 13 59.538 0.098 . . . . . . A 173 GLU CA . 19988 1 832 . 1 1 74 74 GLU CB C 13 29.077 0.255 . . . . . . A 173 GLU CB . 19988 1 833 . 1 1 74 74 GLU CG C 13 36.481 0.027 . . . . . . A 173 GLU CG . 19988 1 834 . 1 1 74 74 GLU N N 15 117.271 0.085 . . . . . . A 173 GLU N . 19988 1 835 . 1 1 75 75 ALA H H 1 7.246 0.008 . . . . . . A 174 ALA H . 19988 1 836 . 1 1 75 75 ALA HA H 1 4.151 0.019 . . . . . . A 174 ALA HA . 19988 1 837 . 1 1 75 75 ALA HB1 H 1 1.244 0.009 . . . . . . A 174 ALA HB1 . 19988 1 838 . 1 1 75 75 ALA HB2 H 1 1.244 0.009 . . . . . . A 174 ALA HB2 . 19988 1 839 . 1 1 75 75 ALA HB3 H 1 1.244 0.009 . . . . . . A 174 ALA HB3 . 19988 1 840 . 1 1 75 75 ALA C C 13 177.191 0.015 . . . . . . A 174 ALA C . 19988 1 841 . 1 1 75 75 ALA CA C 13 52.406 0.096 . . . . . . A 174 ALA CA . 19988 1 842 . 1 1 75 75 ALA CB C 13 19.554 0.057 . . . . . . A 174 ALA CB . 19988 1 843 . 1 1 75 75 ALA N N 15 118.548 0.142 . . . . . . A 174 ALA N . 19988 1 844 . 1 1 76 76 ALA H H 1 7.251 0.006 . . . . . . A 175 ALA H . 19988 1 845 . 1 1 76 76 ALA HA H 1 4.277 0.012 . . . . . . A 175 ALA HA . 19988 1 846 . 1 1 76 76 ALA HB1 H 1 1.614 0.009 . . . . . . A 175 ALA HB1 . 19988 1 847 . 1 1 76 76 ALA HB2 H 1 1.614 0.009 . . . . . . A 175 ALA HB2 . 19988 1 848 . 1 1 76 76 ALA HB3 H 1 1.614 0.009 . . . . . . A 175 ALA HB3 . 19988 1 849 . 1 1 76 76 ALA C C 13 176.928 0.020 . . . . . . A 175 ALA C . 19988 1 850 . 1 1 76 76 ALA CA C 13 51.969 0.101 . . . . . . A 175 ALA CA . 19988 1 851 . 1 1 76 76 ALA CB C 13 21.709 0.081 . . . . . . A 175 ALA CB . 19988 1 852 . 1 1 76 76 ALA N N 15 121.587 0.193 . . . . . . A 175 ALA N . 19988 1 853 . 1 1 77 77 ASN H H 1 8.906 0.007 . . . . . . A 176 ASN H . 19988 1 854 . 1 1 77 77 ASN HA H 1 4.831 0.020 . . . . . . A 176 ASN HA . 19988 1 855 . 1 1 77 77 ASN HB2 H 1 3.421 0.024 . . . . . . A 176 ASN HB2 . 19988 1 856 . 1 1 77 77 ASN HB3 H 1 2.824 0.009 . . . . . . A 176 ASN HB3 . 19988 1 857 . 1 1 77 77 ASN HD21 H 1 7.905 0.007 . . . . . . A 176 ASN HD21 . 19988 1 858 . 1 1 77 77 ASN HD22 H 1 7.698 0.008 . . . . . . A 176 ASN HD22 . 19988 1 859 . 1 1 77 77 ASN C C 13 176.966 0.000 . . . . . . A 176 ASN C . 19988 1 860 . 1 1 77 77 ASN CA C 13 51.821 0.059 . . . . . . A 176 ASN CA . 19988 1 861 . 1 1 77 77 ASN CB C 13 38.915 0.147 . . . . . . A 176 ASN CB . 19988 1 862 . 1 1 77 77 ASN N N 15 115.090 0.084 . . . . . . A 176 ASN N . 19988 1 863 . 1 1 77 77 ASN ND2 N 15 110.226 0.063 . . . . . . A 176 ASN ND2 . 19988 1 864 . 1 1 78 78 SER H H 1 8.233 0.009 . . . . . . A 177 SER H . 19988 1 865 . 1 1 78 78 SER HA H 1 5.768 0.013 . . . . . . A 177 SER HA . 19988 1 866 . 1 1 78 78 SER HB2 H 1 4.213 0.020 . . . . . . A 177 SER HB2 . 19988 1 867 . 1 1 78 78 SER HB3 H 1 3.770 0.017 . . . . . . A 177 SER HB3 . 19988 1 868 . 1 1 78 78 SER C C 13 174.000 0.004 . . . . . . A 177 SER C . 19988 1 869 . 1 1 78 78 SER CA C 13 57.727 0.058 . . . . . . A 177 SER CA . 19988 1 870 . 1 1 78 78 SER CB C 13 66.424 0.085 . . . . . . A 177 SER CB . 19988 1 871 . 1 1 78 78 SER N N 15 108.922 0.030 . . . . . . A 177 SER N . 19988 1 872 . 1 1 79 79 GLU H H 1 9.621 0.008 . . . . . . A 178 GLU H . 19988 1 873 . 1 1 79 79 GLU HA H 1 5.781 0.016 . . . . . . A 178 GLU HA . 19988 1 874 . 1 1 79 79 GLU HB2 H 1 2.105 0.006 . . . . . . A 178 GLU HB2 . 19988 1 875 . 1 1 79 79 GLU HB3 H 1 2.053 0.008 . . . . . . A 178 GLU HB3 . 19988 1 876 . 1 1 79 79 GLU HG2 H 1 2.407 0.010 . . . . . . A 178 GLU HG2 . 19988 1 877 . 1 1 79 79 GLU HG3 H 1 2.286 0.010 . . . . . . A 178 GLU HG3 . 19988 1 878 . 1 1 79 79 GLU C C 13 174.864 0.026 . . . . . . A 178 GLU C . 19988 1 879 . 1 1 79 79 GLU CA C 13 54.313 0.044 . . . . . . A 178 GLU CA . 19988 1 880 . 1 1 79 79 GLU CB C 13 33.502 0.021 . . . . . . A 178 GLU CB . 19988 1 881 . 1 1 79 79 GLU CG C 13 35.475 0.000 . . . . . . A 178 GLU CG . 19988 1 882 . 1 1 79 79 GLU N N 15 119.202 0.123 . . . . . . A 178 GLU N . 19988 1 883 . 1 1 80 80 ILE H H 1 8.330 0.009 . . . . . . A 179 ILE H . 19988 1 884 . 1 1 80 80 ILE HA H 1 5.569 0.010 . . . . . . A 179 ILE HA . 19988 1 885 . 1 1 80 80 ILE HB H 1 1.376 0.014 . . . . . . A 179 ILE HB . 19988 1 886 . 1 1 80 80 ILE HG12 H 1 1.767 0.015 . . . . . . A 179 ILE HG12 . 19988 1 887 . 1 1 80 80 ILE HG21 H 1 0.742 0.007 . . . . . . A 179 ILE HG21 . 19988 1 888 . 1 1 80 80 ILE HG22 H 1 0.742 0.007 . . . . . . A 179 ILE HG22 . 19988 1 889 . 1 1 80 80 ILE HG23 H 1 0.742 0.007 . . . . . . A 179 ILE HG23 . 19988 1 890 . 1 1 80 80 ILE HD11 H 1 0.635 0.013 . . . . . . A 179 ILE HD11 . 19988 1 891 . 1 1 80 80 ILE HD12 H 1 0.635 0.013 . . . . . . A 179 ILE HD12 . 19988 1 892 . 1 1 80 80 ILE HD13 H 1 0.635 0.013 . . . . . . A 179 ILE HD13 . 19988 1 893 . 1 1 80 80 ILE C C 13 173.122 0.042 . . . . . . A 179 ILE C . 19988 1 894 . 1 1 80 80 ILE CA C 13 59.640 0.071 . . . . . . A 179 ILE CA . 19988 1 895 . 1 1 80 80 ILE CB C 13 40.847 0.073 . . . . . . A 179 ILE CB . 19988 1 896 . 1 1 80 80 ILE CG1 C 13 28.030 0.042 . . . . . . A 179 ILE CG1 . 19988 1 897 . 1 1 80 80 ILE CG2 C 13 18.451 0.106 . . . . . . A 179 ILE CG2 . 19988 1 898 . 1 1 80 80 ILE CD1 C 13 15.936 0.095 . . . . . . A 179 ILE CD1 . 19988 1 899 . 1 1 80 80 ILE N N 15 122.055 0.056 . . . . . . A 179 ILE N . 19988 1 900 . 1 1 81 81 TYR H H 1 8.485 0.014 . . . . . . A 180 TYR H . 19988 1 901 . 1 1 81 81 TYR HA H 1 5.146 0.016 . . . . . . A 180 TYR HA . 19988 1 902 . 1 1 81 81 TYR HB2 H 1 3.039 0.015 . . . . . . A 180 TYR HB2 . 19988 1 903 . 1 1 81 81 TYR HB3 H 1 2.773 0.021 . . . . . . A 180 TYR HB3 . 19988 1 904 . 1 1 81 81 TYR HD1 H 1 6.825 0.004 . . . . . . A 180 TYR HD1 . 19988 1 905 . 1 1 81 81 TYR HD2 H 1 6.825 0.004 . . . . . . A 180 TYR HD2 . 19988 1 906 . 1 1 81 81 TYR HE1 H 1 6.446 0.007 . . . . . . A 180 TYR HE1 . 19988 1 907 . 1 1 81 81 TYR HE2 H 1 6.446 0.007 . . . . . . A 180 TYR HE2 . 19988 1 908 . 1 1 81 81 TYR C C 13 171.960 0.001 . . . . . . A 180 TYR C . 19988 1 909 . 1 1 81 81 TYR CA C 13 54.643 0.161 . . . . . . A 180 TYR CA . 19988 1 910 . 1 1 81 81 TYR CB C 13 41.379 0.113 . . . . . . A 180 TYR CB . 19988 1 911 . 1 1 81 81 TYR CD2 C 13 133.324 0.001 . . . . . . A 180 TYR CD2 . 19988 1 912 . 1 1 81 81 TYR CE2 C 13 117.662 0.000 . . . . . . A 180 TYR CE2 . 19988 1 913 . 1 1 81 81 TYR N N 15 122.320 0.139 . . . . . . A 180 TYR N . 19988 1 914 . 1 1 82 82 ARG H H 1 8.982 0.009 . . . . . . A 181 ARG H . 19988 1 915 . 1 1 82 82 ARG HA H 1 5.237 0.016 . . . . . . A 181 ARG HA . 19988 1 916 . 1 1 82 82 ARG HB2 H 1 1.561 0.010 . . . . . . A 181 ARG HB2 . 19988 1 917 . 1 1 82 82 ARG HB3 H 1 1.924 0.008 . . . . . . A 181 ARG HB3 . 19988 1 918 . 1 1 82 82 ARG HD2 H 1 3.244 0.014 . . . . . . A 181 ARG HD2 . 19988 1 919 . 1 1 82 82 ARG HD3 H 1 3.244 0.014 . . . . . . A 181 ARG HD3 . 19988 1 920 . 1 1 82 82 ARG C C 13 176.254 0.018 . . . . . . A 181 ARG C . 19988 1 921 . 1 1 82 82 ARG CA C 13 54.638 0.098 . . . . . . A 181 ARG CA . 19988 1 922 . 1 1 82 82 ARG CB C 13 32.537 0.078 . . . . . . A 181 ARG CB . 19988 1 923 . 1 1 82 82 ARG CG C 13 27.570 0.000 . . . . . . A 181 ARG CG . 19988 1 924 . 1 1 82 82 ARG CD C 13 43.671 0.022 . . . . . . A 181 ARG CD . 19988 1 925 . 1 1 82 82 ARG N N 15 121.212 0.140 . . . . . . A 181 ARG N . 19988 1 926 . 1 1 83 83 LYS H H 1 9.295 0.010 . . . . . . A 182 LYS H . 19988 1 927 . 1 1 83 83 LYS HA H 1 4.527 0.010 . . . . . . A 182 LYS HA . 19988 1 928 . 1 1 83 83 LYS HB2 H 1 1.763 0.015 . . . . . . A 182 LYS HB2 . 19988 1 929 . 1 1 83 83 LYS HB3 H 1 1.679 0.009 . . . . . . A 182 LYS HB3 . 19988 1 930 . 1 1 83 83 LYS HG2 H 1 1.362 0.015 . . . . . . A 182 LYS HG2 . 19988 1 931 . 1 1 83 83 LYS HG3 H 1 1.179 0.015 . . . . . . A 182 LYS HG3 . 19988 1 932 . 1 1 83 83 LYS HD2 H 1 1.464 0.007 . . . . . . A 182 LYS HD2 . 19988 1 933 . 1 1 83 83 LYS HD3 H 1 1.234 0.012 . . . . . . A 182 LYS HD3 . 19988 1 934 . 1 1 83 83 LYS HE2 H 1 2.557 0.023 . . . . . . A 182 LYS HE2 . 19988 1 935 . 1 1 83 83 LYS HE3 H 1 2.557 0.023 . . . . . . A 182 LYS HE3 . 19988 1 936 . 1 1 83 83 LYS C C 13 175.574 0.138 . . . . . . A 182 LYS C . 19988 1 937 . 1 1 83 83 LYS CA C 13 56.775 0.065 . . . . . . A 182 LYS CA . 19988 1 938 . 1 1 83 83 LYS CB C 13 35.250 0.086 . . . . . . A 182 LYS CB . 19988 1 939 . 1 1 83 83 LYS CG C 13 24.628 0.078 . . . . . . A 182 LYS CG . 19988 1 940 . 1 1 83 83 LYS CD C 13 29.388 0.033 . . . . . . A 182 LYS CD . 19988 1 941 . 1 1 83 83 LYS CE C 13 41.683 0.121 . . . . . . A 182 LYS CE . 19988 1 942 . 1 1 83 83 LYS N N 15 127.593 0.071 . . . . . . A 182 LYS N . 19988 1 943 . 1 1 84 84 ASP H H 1 9.479 0.014 . . . . . . A 183 ASP H . 19988 1 944 . 1 1 84 84 ASP HA H 1 4.284 0.011 . . . . . . A 183 ASP HA . 19988 1 945 . 1 1 84 84 ASP HB2 H 1 2.955 0.010 . . . . . . A 183 ASP HB2 . 19988 1 946 . 1 1 84 84 ASP HB3 H 1 2.955 0.010 . . . . . . A 183 ASP HB3 . 19988 1 947 . 1 1 84 84 ASP C C 13 175.070 0.023 . . . . . . A 183 ASP C . 19988 1 948 . 1 1 84 84 ASP CA C 13 56.480 0.126 . . . . . . A 183 ASP CA . 19988 1 949 . 1 1 84 84 ASP CB C 13 39.068 0.049 . . . . . . A 183 ASP CB . 19988 1 950 . 1 1 84 84 ASP N N 15 127.652 0.189 . . . . . . A 183 ASP N . 19988 1 951 . 1 1 85 85 ASP H H 1 8.835 0.012 . . . . . . A 184 ASP H . 19988 1 952 . 1 1 85 85 ASP HA H 1 4.449 0.018 . . . . . . A 184 ASP HA . 19988 1 953 . 1 1 85 85 ASP HB2 H 1 2.996 0.017 . . . . . . A 184 ASP HB2 . 19988 1 954 . 1 1 85 85 ASP HB3 H 1 2.824 0.017 . . . . . . A 184 ASP HB3 . 19988 1 955 . 1 1 85 85 ASP C C 13 174.163 0.002 . . . . . . A 184 ASP C . 19988 1 956 . 1 1 85 85 ASP CA C 13 55.076 0.100 . . . . . . A 184 ASP CA . 19988 1 957 . 1 1 85 85 ASP CB C 13 40.167 0.053 . . . . . . A 184 ASP CB . 19988 1 958 . 1 1 85 85 ASP N N 15 115.373 0.135 . . . . . . A 184 ASP N . 19988 1 959 . 1 1 86 86 ALA H H 1 7.907 0.006 . . . . . . A 185 ALA H . 19988 1 960 . 1 1 86 86 ALA HA H 1 4.736 0.019 . . . . . . A 185 ALA HA . 19988 1 961 . 1 1 86 86 ALA HB1 H 1 1.261 0.013 . . . . . . A 185 ALA HB1 . 19988 1 962 . 1 1 86 86 ALA HB2 H 1 1.261 0.013 . . . . . . A 185 ALA HB2 . 19988 1 963 . 1 1 86 86 ALA HB3 H 1 1.261 0.013 . . . . . . A 185 ALA HB3 . 19988 1 964 . 1 1 86 86 ALA C C 13 174.769 0.030 . . . . . . A 185 ALA C . 19988 1 965 . 1 1 86 86 ALA CA C 13 50.953 0.150 . . . . . . A 185 ALA CA . 19988 1 966 . 1 1 86 86 ALA CB C 13 23.287 0.097 . . . . . . A 185 ALA CB . 19988 1 967 . 1 1 86 86 ALA N N 15 121.204 0.131 . . . . . . A 185 ALA N . 19988 1 968 . 1 1 87 87 LEU H H 1 8.700 0.008 . . . . . . A 186 LEU H . 19988 1 969 . 1 1 87 87 LEU HA H 1 5.202 0.019 . . . . . . A 186 LEU HA . 19988 1 970 . 1 1 87 87 LEU HB2 H 1 1.492 0.015 . . . . . . A 186 LEU HB2 . 19988 1 971 . 1 1 87 87 LEU HB3 H 1 0.877 0.020 . . . . . . A 186 LEU HB3 . 19988 1 972 . 1 1 87 87 LEU HG H 1 1.317 0.014 . . . . . . A 186 LEU HG . 19988 1 973 . 1 1 87 87 LEU HD11 H 1 0.499 0.012 . . . . . . A 186 LEU HD11 . 19988 1 974 . 1 1 87 87 LEU HD12 H 1 0.499 0.012 . . . . . . A 186 LEU HD12 . 19988 1 975 . 1 1 87 87 LEU HD13 H 1 0.499 0.012 . . . . . . A 186 LEU HD13 . 19988 1 976 . 1 1 87 87 LEU HD21 H 1 0.287 0.011 . . . . . . A 186 LEU HD21 . 19988 1 977 . 1 1 87 87 LEU HD22 H 1 0.287 0.011 . . . . . . A 186 LEU HD22 . 19988 1 978 . 1 1 87 87 LEU HD23 H 1 0.287 0.011 . . . . . . A 186 LEU HD23 . 19988 1 979 . 1 1 87 87 LEU C C 13 175.730 0.037 . . . . . . A 186 LEU C . 19988 1 980 . 1 1 87 87 LEU CA C 13 53.001 0.063 . . . . . . A 186 LEU CA . 19988 1 981 . 1 1 87 87 LEU CB C 13 44.217 0.064 . . . . . . A 186 LEU CB . 19988 1 982 . 1 1 87 87 LEU CG C 13 26.432 0.013 . . . . . . A 186 LEU CG . 19988 1 983 . 1 1 87 87 LEU CD1 C 13 22.362 0.089 . . . . . . A 186 LEU CD1 . 19988 1 984 . 1 1 87 87 LEU CD2 C 13 26.162 0.170 . . . . . . A 186 LEU CD2 . 19988 1 985 . 1 1 87 87 LEU N N 15 116.380 0.097 . . . . . . A 186 LEU N . 19988 1 986 . 1 1 88 88 TRP H H 1 8.502 0.008 . . . . . . A 187 TRP H . 19988 1 987 . 1 1 88 88 TRP HA H 1 4.899 0.017 . . . . . . A 187 TRP HA . 19988 1 988 . 1 1 88 88 TRP HB2 H 1 3.032 0.011 . . . . . . A 187 TRP HB2 . 19988 1 989 . 1 1 88 88 TRP HB3 H 1 1.835 0.006 . . . . . . A 187 TRP HB3 . 19988 1 990 . 1 1 88 88 TRP HD1 H 1 6.878 0.003 . . . . . . A 187 TRP HD1 . 19988 1 991 . 1 1 88 88 TRP HE1 H 1 10.240 0.011 . . . . . . A 187 TRP HE1 . 19988 1 992 . 1 1 88 88 TRP HE3 H 1 7.326 0.007 . . . . . . A 187 TRP HE3 . 19988 1 993 . 1 1 88 88 TRP HZ2 H 1 7.373 0.006 . . . . . . A 187 TRP HZ2 . 19988 1 994 . 1 1 88 88 TRP HZ3 H 1 6.809 0.009 . . . . . . A 187 TRP HZ3 . 19988 1 995 . 1 1 88 88 TRP HH2 H 1 7.048 0.005 . . . . . . A 187 TRP HH2 . 19988 1 996 . 1 1 88 88 TRP C C 13 173.711 0.023 . . . . . . A 187 TRP C . 19988 1 997 . 1 1 88 88 TRP CA C 13 55.619 0.082 . . . . . . A 187 TRP CA . 19988 1 998 . 1 1 88 88 TRP CB C 13 32.305 0.134 . . . . . . A 187 TRP CB . 19988 1 999 . 1 1 88 88 TRP CD1 C 13 127.215 0.001 . . . . . . A 187 TRP CD1 . 19988 1 1000 . 1 1 88 88 TRP CE3 C 13 120.005 0.000 . . . . . . A 187 TRP CE3 . 19988 1 1001 . 1 1 88 88 TRP CZ2 C 13 113.918 0.000 . . . . . . A 187 TRP CZ2 . 19988 1 1002 . 1 1 88 88 TRP CZ3 C 13 121.745 0.001 . . . . . . A 187 TRP CZ3 . 19988 1 1003 . 1 1 88 88 TRP CH2 C 13 124.300 0.016 . . . . . . A 187 TRP CH2 . 19988 1 1004 . 1 1 88 88 TRP N N 15 119.386 0.171 . . . . . . A 187 TRP N . 19988 1 1005 . 1 1 88 88 TRP NE1 N 15 129.708 0.008 . . . . . . A 187 TRP NE1 . 19988 1 1006 . 1 1 89 89 CYS H H 1 9.296 0.008 . . . . . . A 188 CYS H . 19988 1 1007 . 1 1 89 89 CYS HA H 1 5.980 0.010 . . . . . . A 188 CYS HA . 19988 1 1008 . 1 1 89 89 CYS HB2 H 1 3.114 0.010 . . . . . . A 188 CYS HB2 . 19988 1 1009 . 1 1 89 89 CYS HB3 H 1 2.602 0.011 . . . . . . A 188 CYS HB3 . 19988 1 1010 . 1 1 89 89 CYS C C 13 173.044 0.103 . . . . . . A 188 CYS C . 19988 1 1011 . 1 1 89 89 CYS CA C 13 55.965 0.170 . . . . . . A 188 CYS CA . 19988 1 1012 . 1 1 89 89 CYS CB C 13 30.255 0.120 . . . . . . A 188 CYS CB . 19988 1 1013 . 1 1 89 89 CYS N N 15 120.281 0.112 . . . . . . A 188 CYS N . 19988 1 1014 . 1 1 90 90 ARG H H 1 9.656 0.006 . . . . . . A 189 ARG H . 19988 1 1015 . 1 1 90 90 ARG HA H 1 5.763 0.012 . . . . . . A 189 ARG HA . 19988 1 1016 . 1 1 90 90 ARG HB2 H 1 2.046 0.013 . . . . . . A 189 ARG HB2 . 19988 1 1017 . 1 1 90 90 ARG HB3 H 1 1.855 0.030 . . . . . . A 189 ARG HB3 . 19988 1 1018 . 1 1 90 90 ARG HG2 H 1 1.617 0.002 . . . . . . A 189 ARG HG2 . 19988 1 1019 . 1 1 90 90 ARG HG3 H 1 1.451 0.011 . . . . . . A 189 ARG HG3 . 19988 1 1020 . 1 1 90 90 ARG HD2 H 1 3.121 0.000 . . . . . . A 189 ARG HD2 . 19988 1 1021 . 1 1 90 90 ARG HD3 H 1 3.071 0.014 . . . . . . A 189 ARG HD3 . 19988 1 1022 . 1 1 90 90 ARG C C 13 174.909 0.072 . . . . . . A 189 ARG C . 19988 1 1023 . 1 1 90 90 ARG CA C 13 53.595 0.129 . . . . . . A 189 ARG CA . 19988 1 1024 . 1 1 90 90 ARG CB C 13 35.422 0.092 . . . . . . A 189 ARG CB . 19988 1 1025 . 1 1 90 90 ARG CG C 13 27.114 0.000 . . . . . . A 189 ARG CG . 19988 1 1026 . 1 1 90 90 ARG CD C 13 43.530 0.042 . . . . . . A 189 ARG CD . 19988 1 1027 . 1 1 90 90 ARG N N 15 127.412 0.146 . . . . . . A 189 ARG N . 19988 1 1028 . 1 1 91 91 VAL H H 1 9.007 0.008 . . . . . . A 190 VAL H . 19988 1 1029 . 1 1 91 91 VAL HA H 1 4.385 0.018 . . . . . . A 190 VAL HA . 19988 1 1030 . 1 1 91 91 VAL HB H 1 2.180 0.014 . . . . . . A 190 VAL HB . 19988 1 1031 . 1 1 91 91 VAL HG11 H 1 1.159 0.010 . . . . . . A 190 VAL HG11 . 19988 1 1032 . 1 1 91 91 VAL HG12 H 1 1.159 0.010 . . . . . . A 190 VAL HG12 . 19988 1 1033 . 1 1 91 91 VAL HG13 H 1 1.159 0.010 . . . . . . A 190 VAL HG13 . 19988 1 1034 . 1 1 91 91 VAL HG21 H 1 1.159 0.010 . . . . . . A 190 VAL HG21 . 19988 1 1035 . 1 1 91 91 VAL HG22 H 1 1.159 0.010 . . . . . . A 190 VAL HG22 . 19988 1 1036 . 1 1 91 91 VAL HG23 H 1 1.159 0.010 . . . . . . A 190 VAL HG23 . 19988 1 1037 . 1 1 91 91 VAL C C 13 178.228 0.057 . . . . . . A 190 VAL C . 19988 1 1038 . 1 1 91 91 VAL CA C 13 63.620 0.098 . . . . . . A 190 VAL CA . 19988 1 1039 . 1 1 91 91 VAL CB C 13 32.536 0.162 . . . . . . A 190 VAL CB . 19988 1 1040 . 1 1 91 91 VAL CG1 C 13 23.950 0.314 . . . . . . A 190 VAL CG1 . 19988 1 1041 . 1 1 91 91 VAL CG2 C 13 24.062 0.000 . . . . . . A 190 VAL CG2 . 19988 1 1042 . 1 1 91 91 VAL N N 15 126.214 0.159 . . . . . . A 190 VAL N . 19988 1 1043 . 1 1 92 92 THR H H 1 8.978 0.012 . . . . . . A 191 THR H . 19988 1 1044 . 1 1 92 92 THR HA H 1 4.405 0.012 . . . . . . A 191 THR HA . 19988 1 1045 . 1 1 92 92 THR HB H 1 4.296 0.010 . . . . . . A 191 THR HB . 19988 1 1046 . 1 1 92 92 THR HG21 H 1 1.011 0.008 . . . . . . A 191 THR HG21 . 19988 1 1047 . 1 1 92 92 THR HG22 H 1 1.011 0.008 . . . . . . A 191 THR HG22 . 19988 1 1048 . 1 1 92 92 THR HG23 H 1 1.011 0.008 . . . . . . A 191 THR HG23 . 19988 1 1049 . 1 1 92 92 THR C C 13 174.280 0.021 . . . . . . A 191 THR C . 19988 1 1050 . 1 1 92 92 THR CA C 13 62.039 0.041 . . . . . . A 191 THR CA . 19988 1 1051 . 1 1 92 92 THR CB C 13 68.849 0.114 . . . . . . A 191 THR CB . 19988 1 1052 . 1 1 92 92 THR CG2 C 13 22.818 0.089 . . . . . . A 191 THR CG2 . 19988 1 1053 . 1 1 92 92 THR N N 15 120.028 0.123 . . . . . . A 191 THR N . 19988 1 1054 . 1 1 93 93 LYS H H 1 7.601 0.006 . . . . . . A 192 LYS H . 19988 1 1055 . 1 1 93 93 LYS HA H 1 4.611 0.015 . . . . . . A 192 LYS HA . 19988 1 1056 . 1 1 93 93 LYS HB2 H 1 2.061 0.011 . . . . . . A 192 LYS HB2 . 19988 1 1057 . 1 1 93 93 LYS HB3 H 1 1.525 0.018 . . . . . . A 192 LYS HB3 . 19988 1 1058 . 1 1 93 93 LYS HG2 H 1 1.470 0.006 . . . . . . A 192 LYS HG2 . 19988 1 1059 . 1 1 93 93 LYS HG3 H 1 1.470 0.006 . . . . . . A 192 LYS HG3 . 19988 1 1060 . 1 1 93 93 LYS HE2 H 1 3.159 0.000 . . . . . . A 192 LYS HE2 . 19988 1 1061 . 1 1 93 93 LYS HE3 H 1 3.159 0.000 . . . . . . A 192 LYS HE3 . 19988 1 1062 . 1 1 93 93 LYS C C 13 172.664 0.033 . . . . . . A 192 LYS C . 19988 1 1063 . 1 1 93 93 LYS CA C 13 54.687 0.182 . . . . . . A 192 LYS CA . 19988 1 1064 . 1 1 93 93 LYS CB C 13 36.283 0.216 . . . . . . A 192 LYS CB . 19988 1 1065 . 1 1 93 93 LYS CG C 13 24.602 0.003 . . . . . . A 192 LYS CG . 19988 1 1066 . 1 1 93 93 LYS CD C 13 29.373 0.000 . . . . . . A 192 LYS CD . 19988 1 1067 . 1 1 93 93 LYS CE C 13 42.819 0.000 . . . . . . A 192 LYS CE . 19988 1 1068 . 1 1 93 93 LYS N N 15 121.245 0.132 . . . . . . A 192 LYS N . 19988 1 1069 . 1 1 94 94 VAL H H 1 8.041 0.008 . . . . . . A 193 VAL H . 19988 1 1070 . 1 1 94 94 VAL HA H 1 4.072 0.013 . . . . . . A 193 VAL HA . 19988 1 1071 . 1 1 94 94 VAL HB H 1 1.956 0.015 . . . . . . A 193 VAL HB . 19988 1 1072 . 1 1 94 94 VAL HG11 H 1 1.107 0.009 . . . . . . A 193 VAL HG11 . 19988 1 1073 . 1 1 94 94 VAL HG12 H 1 1.107 0.009 . . . . . . A 193 VAL HG12 . 19988 1 1074 . 1 1 94 94 VAL HG13 H 1 1.107 0.009 . . . . . . A 193 VAL HG13 . 19988 1 1075 . 1 1 94 94 VAL HG21 H 1 0.883 0.011 . . . . . . A 193 VAL HG21 . 19988 1 1076 . 1 1 94 94 VAL HG22 H 1 0.883 0.011 . . . . . . A 193 VAL HG22 . 19988 1 1077 . 1 1 94 94 VAL HG23 H 1 0.883 0.011 . . . . . . A 193 VAL HG23 . 19988 1 1078 . 1 1 94 94 VAL C C 13 177.044 0.000 . . . . . . A 193 VAL C . 19988 1 1079 . 1 1 94 94 VAL CA C 13 63.908 0.075 . . . . . . A 193 VAL CA . 19988 1 1080 . 1 1 94 94 VAL CB C 13 31.718 0.058 . . . . . . A 193 VAL CB . 19988 1 1081 . 1 1 94 94 VAL CG1 C 13 22.627 0.084 . . . . . . A 193 VAL CG1 . 19988 1 1082 . 1 1 94 94 VAL CG2 C 13 20.778 0.117 . . . . . . A 193 VAL CG2 . 19988 1 1083 . 1 1 94 94 VAL N N 15 116.146 0.105 . . . . . . A 193 VAL N . 19988 1 1084 . 1 1 95 95 VAL H H 1 8.061 0.008 . . . . . . A 194 VAL H . 19988 1 1085 . 1 1 95 95 VAL HA H 1 4.651 0.037 . . . . . . A 194 VAL HA . 19988 1 1086 . 1 1 95 95 VAL HB H 1 2.010 0.023 . . . . . . A 194 VAL HB . 19988 1 1087 . 1 1 95 95 VAL HG11 H 1 1.155 0.008 . . . . . . A 194 VAL HG11 . 19988 1 1088 . 1 1 95 95 VAL HG12 H 1 1.155 0.008 . . . . . . A 194 VAL HG12 . 19988 1 1089 . 1 1 95 95 VAL HG13 H 1 1.155 0.008 . . . . . . A 194 VAL HG13 . 19988 1 1090 . 1 1 95 95 VAL HG21 H 1 0.964 0.003 . . . . . . A 194 VAL HG21 . 19988 1 1091 . 1 1 95 95 VAL HG22 H 1 0.964 0.003 . . . . . . A 194 VAL HG22 . 19988 1 1092 . 1 1 95 95 VAL HG23 H 1 0.964 0.003 . . . . . . A 194 VAL HG23 . 19988 1 1093 . 1 1 95 95 VAL C C 13 173.263 0.000 . . . . . . A 194 VAL C . 19988 1 1094 . 1 1 95 95 VAL CA C 13 58.747 0.057 . . . . . . A 194 VAL CA . 19988 1 1095 . 1 1 95 95 VAL CB C 13 34.609 0.124 . . . . . . A 194 VAL CB . 19988 1 1096 . 1 1 95 95 VAL CG1 C 13 20.608 0.020 . . . . . . A 194 VAL CG1 . 19988 1 1097 . 1 1 95 95 VAL N N 15 129.003 0.213 . . . . . . A 194 VAL N . 19988 1 1098 . 1 1 96 96 PRO HA H 1 4.498 0.004 . . . . . . A 195 PRO HA . 19988 1 1099 . 1 1 96 96 PRO HB2 H 1 2.305 0.017 . . . . . . A 195 PRO HB2 . 19988 1 1100 . 1 1 96 96 PRO HB3 H 1 1.918 0.011 . . . . . . A 195 PRO HB3 . 19988 1 1101 . 1 1 96 96 PRO C C 13 175.914 0.051 . . . . . . A 195 PRO C . 19988 1 1102 . 1 1 96 96 PRO CA C 13 61.990 0.009 . . . . . . A 195 PRO CA . 19988 1 1103 . 1 1 96 96 PRO CB C 13 32.148 0.080 . . . . . . A 195 PRO CB . 19988 1 1104 . 1 1 96 96 PRO CG C 13 27.114 0.000 . . . . . . A 195 PRO CG . 19988 1 1105 . 1 1 96 96 PRO CD C 13 50.889 0.000 . . . . . . A 195 PRO CD . 19988 1 1106 . 1 1 97 97 SER H H 1 8.192 0.006 . . . . . . A 196 SER H . 19988 1 1107 . 1 1 97 97 SER HA H 1 3.441 0.017 . . . . . . A 196 SER HA . 19988 1 1108 . 1 1 97 97 SER HB2 H 1 3.719 0.015 . . . . . . A 196 SER HB2 . 19988 1 1109 . 1 1 97 97 SER HB3 H 1 3.719 0.015 . . . . . . A 196 SER HB3 . 19988 1 1110 . 1 1 97 97 SER C C 13 176.302 0.037 . . . . . . A 196 SER C . 19988 1 1111 . 1 1 97 97 SER CA C 13 60.396 0.092 . . . . . . A 196 SER CA . 19988 1 1112 . 1 1 97 97 SER CB C 13 62.734 0.131 . . . . . . A 196 SER CB . 19988 1 1113 . 1 1 97 97 SER N N 15 114.004 0.050 . . . . . . A 196 SER N . 19988 1 1114 . 1 1 98 98 GLY H H 1 8.741 0.008 . . . . . . A 197 GLY H . 19988 1 1115 . 1 1 98 98 GLY HA2 H 1 4.319 0.010 . . . . . . A 197 GLY HA2 . 19988 1 1116 . 1 1 98 98 GLY HA3 H 1 3.513 0.003 . . . . . . A 197 GLY HA3 . 19988 1 1117 . 1 1 98 98 GLY C C 13 174.257 0.018 . . . . . . A 197 GLY C . 19988 1 1118 . 1 1 98 98 GLY CA C 13 45.198 0.056 . . . . . . A 197 GLY CA . 19988 1 1119 . 1 1 98 98 GLY N N 15 116.467 0.082 . . . . . . A 197 GLY N . 19988 1 1120 . 1 1 99 99 GLY H H 1 8.863 0.008 . . . . . . A 198 GLY H . 19988 1 1121 . 1 1 99 99 GLY HA2 H 1 4.112 0.006 . . . . . . A 198 GLY HA2 . 19988 1 1122 . 1 1 99 99 GLY HA3 H 1 3.523 0.009 . . . . . . A 198 GLY HA3 . 19988 1 1123 . 1 1 99 99 GLY C C 13 172.252 0.029 . . . . . . A 198 GLY C . 19988 1 1124 . 1 1 99 99 GLY CA C 13 44.867 0.066 . . . . . . A 198 GLY CA . 19988 1 1125 . 1 1 99 99 GLY N N 15 109.849 0.067 . . . . . . A 198 GLY N . 19988 1 1126 . 1 1 100 100 LEU H H 1 8.058 0.005 . . . . . . A 199 LEU H . 19988 1 1127 . 1 1 100 100 LEU HA H 1 4.696 0.009 . . . . . . A 199 LEU HA . 19988 1 1128 . 1 1 100 100 LEU HB2 H 1 1.587 0.000 . . . . . . A 199 LEU HB2 . 19988 1 1129 . 1 1 100 100 LEU HB3 H 1 1.291 0.011 . . . . . . A 199 LEU HB3 . 19988 1 1130 . 1 1 100 100 LEU HD11 H 1 0.951 0.010 . . . . . . A 199 LEU HD11 . 19988 1 1131 . 1 1 100 100 LEU HD12 H 1 0.951 0.010 . . . . . . A 199 LEU HD12 . 19988 1 1132 . 1 1 100 100 LEU HD13 H 1 0.951 0.010 . . . . . . A 199 LEU HD13 . 19988 1 1133 . 1 1 100 100 LEU HD21 H 1 0.761 0.006 . . . . . . A 199 LEU HD21 . 19988 1 1134 . 1 1 100 100 LEU HD22 H 1 0.761 0.006 . . . . . . A 199 LEU HD22 . 19988 1 1135 . 1 1 100 100 LEU HD23 H 1 0.761 0.006 . . . . . . A 199 LEU HD23 . 19988 1 1136 . 1 1 100 100 LEU C C 13 177.634 0.005 . . . . . . A 199 LEU C . 19988 1 1137 . 1 1 100 100 LEU CA C 13 55.030 0.162 . . . . . . A 199 LEU CA . 19988 1 1138 . 1 1 100 100 LEU CB C 13 42.253 0.152 . . . . . . A 199 LEU CB . 19988 1 1139 . 1 1 100 100 LEU CG C 13 28.736 0.000 . . . . . . A 199 LEU CG . 19988 1 1140 . 1 1 100 100 LEU CD1 C 13 24.547 0.034 . . . . . . A 199 LEU CD1 . 19988 1 1141 . 1 1 100 100 LEU N N 15 121.635 0.165 . . . . . . A 199 LEU N . 19988 1 1142 . 1 1 101 101 LEU H H 1 7.405 0.008 . . . . . . A 200 LEU H . 19988 1 1143 . 1 1 101 101 LEU HA H 1 4.930 0.017 . . . . . . A 200 LEU HA . 19988 1 1144 . 1 1 101 101 LEU HB2 H 1 1.463 0.027 . . . . . . A 200 LEU HB2 . 19988 1 1145 . 1 1 101 101 LEU HB3 H 1 1.354 0.019 . . . . . . A 200 LEU HB3 . 19988 1 1146 . 1 1 101 101 LEU HG H 1 1.660 0.017 . . . . . . A 200 LEU HG . 19988 1 1147 . 1 1 101 101 LEU HD11 H 1 0.930 0.004 . . . . . . A 200 LEU HD11 . 19988 1 1148 . 1 1 101 101 LEU HD12 H 1 0.930 0.004 . . . . . . A 200 LEU HD12 . 19988 1 1149 . 1 1 101 101 LEU HD13 H 1 0.930 0.004 . . . . . . A 200 LEU HD13 . 19988 1 1150 . 1 1 101 101 LEU HD21 H 1 0.737 0.011 . . . . . . A 200 LEU HD21 . 19988 1 1151 . 1 1 101 101 LEU HD22 H 1 0.737 0.011 . . . . . . A 200 LEU HD22 . 19988 1 1152 . 1 1 101 101 LEU HD23 H 1 0.737 0.011 . . . . . . A 200 LEU HD23 . 19988 1 1153 . 1 1 101 101 LEU C C 13 175.286 0.025 . . . . . . A 200 LEU C . 19988 1 1154 . 1 1 101 101 LEU CA C 13 54.772 0.031 . . . . . . A 200 LEU CA . 19988 1 1155 . 1 1 101 101 LEU CB C 13 44.270 0.072 . . . . . . A 200 LEU CB . 19988 1 1156 . 1 1 101 101 LEU CG C 13 29.724 0.066 . . . . . . A 200 LEU CG . 19988 1 1157 . 1 1 101 101 LEU CD1 C 13 25.236 0.112 . . . . . . A 200 LEU CD1 . 19988 1 1158 . 1 1 101 101 LEU N N 15 121.810 0.149 . . . . . . A 200 LEU N . 19988 1 1159 . 1 1 102 102 TYR H H 1 9.097 0.006 . . . . . . A 201 TYR H . 19988 1 1160 . 1 1 102 102 TYR HA H 1 4.757 0.005 . . . . . . A 201 TYR HA . 19988 1 1161 . 1 1 102 102 TYR HB2 H 1 2.804 0.022 . . . . . . A 201 TYR HB2 . 19988 1 1162 . 1 1 102 102 TYR HB3 H 1 2.860 0.009 . . . . . . A 201 TYR HB3 . 19988 1 1163 . 1 1 102 102 TYR HD1 H 1 6.978 0.004 . . . . . . A 201 TYR HD1 . 19988 1 1164 . 1 1 102 102 TYR HD2 H 1 6.978 0.004 . . . . . . A 201 TYR HD2 . 19988 1 1165 . 1 1 102 102 TYR HE1 H 1 6.770 0.005 . . . . . . A 201 TYR HE1 . 19988 1 1166 . 1 1 102 102 TYR HE2 H 1 6.770 0.005 . . . . . . A 201 TYR HE2 . 19988 1 1167 . 1 1 102 102 TYR C C 13 175.450 0.014 . . . . . . A 201 TYR C . 19988 1 1168 . 1 1 102 102 TYR CA C 13 57.667 0.111 . . . . . . A 201 TYR CA . 19988 1 1169 . 1 1 102 102 TYR CB C 13 42.420 0.058 . . . . . . A 201 TYR CB . 19988 1 1170 . 1 1 102 102 TYR CD1 C 13 133.454 0.016 . . . . . . A 201 TYR CD1 . 19988 1 1171 . 1 1 102 102 TYR CE1 C 13 117.981 0.000 . . . . . . A 201 TYR CE1 . 19988 1 1172 . 1 1 102 102 TYR N N 15 119.080 0.096 . . . . . . A 201 TYR N . 19988 1 1173 . 1 1 103 103 VAL H H 1 9.190 0.007 . . . . . . A 202 VAL H . 19988 1 1174 . 1 1 103 103 VAL HA H 1 5.288 0.010 . . . . . . A 202 VAL HA . 19988 1 1175 . 1 1 103 103 VAL HB H 1 1.692 0.016 . . . . . . A 202 VAL HB . 19988 1 1176 . 1 1 103 103 VAL HG11 H 1 0.943 0.005 . . . . . . A 202 VAL HG11 . 19988 1 1177 . 1 1 103 103 VAL HG12 H 1 0.943 0.005 . . . . . . A 202 VAL HG12 . 19988 1 1178 . 1 1 103 103 VAL HG13 H 1 0.943 0.005 . . . . . . A 202 VAL HG13 . 19988 1 1179 . 1 1 103 103 VAL HG21 H 1 0.751 0.012 . . . . . . A 202 VAL HG21 . 19988 1 1180 . 1 1 103 103 VAL HG22 H 1 0.751 0.012 . . . . . . A 202 VAL HG22 . 19988 1 1181 . 1 1 103 103 VAL HG23 H 1 0.751 0.012 . . . . . . A 202 VAL HG23 . 19988 1 1182 . 1 1 103 103 VAL C C 13 172.002 0.008 . . . . . . A 202 VAL C . 19988 1 1183 . 1 1 103 103 VAL CA C 13 58.901 0.789 . . . . . . A 202 VAL CA . 19988 1 1184 . 1 1 103 103 VAL CB C 13 36.842 0.106 . . . . . . A 202 VAL CB . 19988 1 1185 . 1 1 103 103 VAL CG1 C 13 24.152 0.129 . . . . . . A 202 VAL CG1 . 19988 1 1186 . 1 1 103 103 VAL CG2 C 13 21.376 0.161 . . . . . . A 202 VAL CG2 . 19988 1 1187 . 1 1 103 103 VAL N N 15 126.404 0.115 . . . . . . A 202 VAL N . 19988 1 1188 . 1 1 104 104 ARG H H 1 8.172 0.008 . . . . . . A 203 ARG H . 19988 1 1189 . 1 1 104 104 ARG HA H 1 5.182 0.015 . . . . . . A 203 ARG HA . 19988 1 1190 . 1 1 104 104 ARG HB2 H 1 1.861 0.017 . . . . . . A 203 ARG HB2 . 19988 1 1191 . 1 1 104 104 ARG HB3 H 1 1.447 0.012 . . . . . . A 203 ARG HB3 . 19988 1 1192 . 1 1 104 104 ARG HG2 H 1 1.539 0.000 . . . . . . A 203 ARG HG2 . 19988 1 1193 . 1 1 104 104 ARG HG3 H 1 1.393 0.000 . . . . . . A 203 ARG HG3 . 19988 1 1194 . 1 1 104 104 ARG HD2 H 1 3.120 0.006 . . . . . . A 203 ARG HD2 . 19988 1 1195 . 1 1 104 104 ARG HD3 H 1 3.120 0.006 . . . . . . A 203 ARG HD3 . 19988 1 1196 . 1 1 104 104 ARG C C 13 175.399 0.012 . . . . . . A 203 ARG C . 19988 1 1197 . 1 1 104 104 ARG CA C 13 53.671 0.062 . . . . . . A 203 ARG CA . 19988 1 1198 . 1 1 104 104 ARG CB C 13 34.863 0.117 . . . . . . A 203 ARG CB . 19988 1 1199 . 1 1 104 104 ARG CG C 13 28.227 0.038 . . . . . . A 203 ARG CG . 19988 1 1200 . 1 1 104 104 ARG CD C 13 43.488 0.000 . . . . . . A 203 ARG CD . 19988 1 1201 . 1 1 104 104 ARG N N 15 126.705 0.148 . . . . . . A 203 ARG N . 19988 1 1202 . 1 1 105 105 LEU H H 1 8.779 0.008 . . . . . . A 204 LEU H . 19988 1 1203 . 1 1 105 105 LEU HA H 1 4.597 0.018 . . . . . . A 204 LEU HA . 19988 1 1204 . 1 1 105 105 LEU HB2 H 1 1.818 0.017 . . . . . . A 204 LEU HB2 . 19988 1 1205 . 1 1 105 105 LEU HB3 H 1 1.089 0.012 . . . . . . A 204 LEU HB3 . 19988 1 1206 . 1 1 105 105 LEU HG H 1 1.528 0.000 . . . . . . A 204 LEU HG . 19988 1 1207 . 1 1 105 105 LEU HD11 H 1 0.741 0.007 . . . . . . A 204 LEU HD11 . 19988 1 1208 . 1 1 105 105 LEU HD12 H 1 0.741 0.007 . . . . . . A 204 LEU HD12 . 19988 1 1209 . 1 1 105 105 LEU HD13 H 1 0.741 0.007 . . . . . . A 204 LEU HD13 . 19988 1 1210 . 1 1 105 105 LEU HD21 H 1 0.741 0.007 . . . . . . A 204 LEU HD21 . 19988 1 1211 . 1 1 105 105 LEU HD22 H 1 0.741 0.007 . . . . . . A 204 LEU HD22 . 19988 1 1212 . 1 1 105 105 LEU HD23 H 1 0.741 0.007 . . . . . . A 204 LEU HD23 . 19988 1 1213 . 1 1 105 105 LEU C C 13 175.703 0.057 . . . . . . A 204 LEU C . 19988 1 1214 . 1 1 105 105 LEU CA C 13 54.272 0.058 . . . . . . A 204 LEU CA . 19988 1 1215 . 1 1 105 105 LEU CB C 13 40.785 0.099 . . . . . . A 204 LEU CB . 19988 1 1216 . 1 1 105 105 LEU CG C 13 27.520 0.000 . . . . . . A 204 LEU CG . 19988 1 1217 . 1 1 105 105 LEU CD1 C 13 25.270 0.030 . . . . . . A 204 LEU CD1 . 19988 1 1218 . 1 1 105 105 LEU N N 15 124.736 0.196 . . . . . . A 204 LEU N . 19988 1 1219 . 1 1 106 106 VAL H H 1 8.847 0.008 . . . . . . A 205 VAL H . 19988 1 1220 . 1 1 106 106 VAL HA H 1 4.100 0.010 . . . . . . A 205 VAL HA . 19988 1 1221 . 1 1 106 106 VAL HB H 1 2.279 0.007 . . . . . . A 205 VAL HB . 19988 1 1222 . 1 1 106 106 VAL C C 13 175.724 0.024 . . . . . . A 205 VAL C . 19988 1 1223 . 1 1 106 106 VAL CA C 13 63.105 0.113 . . . . . . A 205 VAL CA . 19988 1 1224 . 1 1 106 106 VAL CB C 13 32.380 0.181 . . . . . . A 205 VAL CB . 19988 1 1225 . 1 1 106 106 VAL CG1 C 13 21.487 0.000 . . . . . . A 205 VAL CG1 . 19988 1 1226 . 1 1 106 106 VAL N N 15 126.242 0.065 . . . . . . A 205 VAL N . 19988 1 1227 . 1 1 107 107 THR H H 1 8.152 0.013 . . . . . . A 206 THR H . 19988 1 1228 . 1 1 107 107 THR HA H 1 4.357 0.010 . . . . . . A 206 THR HA . 19988 1 1229 . 1 1 107 107 THR HB H 1 4.205 0.011 . . . . . . A 206 THR HB . 19988 1 1230 . 1 1 107 107 THR HG21 H 1 1.170 0.000 . . . . . . A 206 THR HG21 . 19988 1 1231 . 1 1 107 107 THR HG22 H 1 1.170 0.000 . . . . . . A 206 THR HG22 . 19988 1 1232 . 1 1 107 107 THR HG23 H 1 1.170 0.000 . . . . . . A 206 THR HG23 . 19988 1 1233 . 1 1 107 107 THR C C 13 174.554 0.040 . . . . . . A 206 THR C . 19988 1 1234 . 1 1 107 107 THR CA C 13 61.378 0.079 . . . . . . A 206 THR CA . 19988 1 1235 . 1 1 107 107 THR CB C 13 69.877 0.133 . . . . . . A 206 THR CB . 19988 1 1236 . 1 1 107 107 THR N N 15 117.425 0.243 . . . . . . A 206 THR N . 19988 1 1237 . 1 1 108 108 GLU H H 1 8.205 0.013 . . . . . . A 207 GLU H . 19988 1 1238 . 1 1 108 108 GLU HA H 1 4.426 0.000 . . . . . . A 207 GLU HA . 19988 1 1239 . 1 1 108 108 GLU CA C 13 54.564 0.054 . . . . . . A 207 GLU CA . 19988 1 1240 . 1 1 108 108 GLU CB C 13 29.469 0.000 . . . . . . A 207 GLU CB . 19988 1 1241 . 1 1 108 108 GLU N N 15 123.543 0.140 . . . . . . A 207 GLU N . 19988 1 1242 . 1 1 111 111 GLY HA2 H 1 3.889 0.004 . . . . . . A 210 GLY HA2 . 19988 1 1243 . 1 1 111 111 GLY HA3 H 1 3.889 0.004 . . . . . . A 210 GLY HA3 . 19988 1 1244 . 1 1 111 111 GLY C C 13 173.289 0.000 . . . . . . A 210 GLY C . 19988 1 1245 . 1 1 111 111 GLY CA C 13 45.022 0.022 . . . . . . A 210 GLY CA . 19988 1 1246 . 1 1 112 112 ALA H H 1 8.108 0.010 . . . . . . A 211 ALA H . 19988 1 1247 . 1 1 112 112 ALA HA H 1 4.591 0.007 . . . . . . A 211 ALA HA . 19988 1 1248 . 1 1 112 112 ALA HB1 H 1 1.352 0.009 . . . . . . A 211 ALA HB1 . 19988 1 1249 . 1 1 112 112 ALA HB2 H 1 1.352 0.009 . . . . . . A 211 ALA HB2 . 19988 1 1250 . 1 1 112 112 ALA HB3 H 1 1.352 0.009 . . . . . . A 211 ALA HB3 . 19988 1 1251 . 1 1 112 112 ALA CA C 13 50.442 0.060 . . . . . . A 211 ALA CA . 19988 1 1252 . 1 1 112 112 ALA CB C 13 18.119 0.041 . . . . . . A 211 ALA CB . 19988 1 1253 . 1 1 112 112 ALA N N 15 125.193 0.141 . . . . . . A 211 ALA N . 19988 1 1254 . 1 1 120 120 PRO HA H 1 4.438 0.005 . . . . . . A 219 PRO HA . 19988 1 1255 . 1 1 120 120 PRO HB2 H 1 2.272 0.007 . . . . . . A 219 PRO HB2 . 19988 1 1256 . 1 1 120 120 PRO HB3 H 1 1.841 0.011 . . . . . . A 219 PRO HB3 . 19988 1 1257 . 1 1 120 120 PRO C C 13 176.795 0.000 . . . . . . A 219 PRO C . 19988 1 1258 . 1 1 120 120 PRO CA C 13 62.941 0.041 . . . . . . A 219 PRO CA . 19988 1 1259 . 1 1 120 120 PRO CB C 13 31.968 0.000 . . . . . . A 219 PRO CB . 19988 1 1260 . 1 1 121 121 VAL H H 1 8.188 0.007 . . . . . . A 220 VAL H . 19988 1 1261 . 1 1 121 121 VAL HA H 1 4.106 0.011 . . . . . . A 220 VAL HA . 19988 1 1262 . 1 1 121 121 VAL HB H 1 2.043 0.007 . . . . . . A 220 VAL HB . 19988 1 1263 . 1 1 121 121 VAL HG11 H 1 0.943 0.007 . . . . . . A 220 VAL HG11 . 19988 1 1264 . 1 1 121 121 VAL HG12 H 1 0.943 0.007 . . . . . . A 220 VAL HG12 . 19988 1 1265 . 1 1 121 121 VAL HG13 H 1 0.943 0.007 . . . . . . A 220 VAL HG13 . 19988 1 1266 . 1 1 121 121 VAL C C 13 175.889 0.183 . . . . . . A 220 VAL C . 19988 1 1267 . 1 1 121 121 VAL CA C 13 62.035 0.089 . . . . . . A 220 VAL CA . 19988 1 1268 . 1 1 121 121 VAL CB C 13 32.842 0.084 . . . . . . A 220 VAL CB . 19988 1 1269 . 1 1 121 121 VAL CG1 C 13 20.977 0.033 . . . . . . A 220 VAL CG1 . 19988 1 1270 . 1 1 121 121 VAL N N 15 120.453 0.148 . . . . . . A 220 VAL N . 19988 1 1271 . 1 1 122 122 GLU H H 1 8.473 0.010 . . . . . . A 221 GLU H . 19988 1 1272 . 1 1 122 122 GLU HA H 1 4.624 0.008 . . . . . . A 221 GLU HA . 19988 1 1273 . 1 1 122 122 GLU HB2 H 1 2.060 0.000 . . . . . . A 221 GLU HB2 . 19988 1 1274 . 1 1 122 122 GLU HB3 H 1 1.901 0.000 . . . . . . A 221 GLU HB3 . 19988 1 1275 . 1 1 122 122 GLU HG2 H 1 2.279 0.009 . . . . . . A 221 GLU HG2 . 19988 1 1276 . 1 1 122 122 GLU HG3 H 1 2.279 0.009 . . . . . . A 221 GLU HG3 . 19988 1 1277 . 1 1 122 122 GLU C C 13 174.647 0.000 . . . . . . A 221 GLU C . 19988 1 1278 . 1 1 122 122 GLU CA C 13 54.194 0.072 . . . . . . A 221 GLU CA . 19988 1 1279 . 1 1 122 122 GLU CB C 13 29.494 0.000 . . . . . . A 221 GLU CB . 19988 1 1280 . 1 1 122 122 GLU CG C 13 35.800 0.000 . . . . . . A 221 GLU CG . 19988 1 1281 . 1 1 122 122 GLU N N 15 126.286 0.166 . . . . . . A 221 GLU N . 19988 1 1282 . 1 1 123 123 PRO HA H 1 4.399 0.006 . . . . . . A 222 PRO HA . 19988 1 1283 . 1 1 123 123 PRO HB2 H 1 2.333 0.001 . . . . . . A 222 PRO HB2 . 19988 1 1284 . 1 1 123 123 PRO HB3 H 1 1.967 0.000 . . . . . . A 222 PRO HB3 . 19988 1 1285 . 1 1 123 123 PRO C C 13 177.800 0.000 . . . . . . A 222 PRO C . 19988 1 1286 . 1 1 123 123 PRO CA C 13 63.817 0.250 . . . . . . A 222 PRO CA . 19988 1 1287 . 1 1 123 123 PRO CB C 13 31.940 0.126 . . . . . . A 222 PRO CB . 19988 1 1288 . 1 1 123 123 PRO CG C 13 27.469 0.000 . . . . . . A 222 PRO CG . 19988 1 1289 . 1 1 123 123 PRO CD C 13 50.686 0.000 . . . . . . A 222 PRO CD . 19988 1 1290 . 1 1 124 124 GLY H H 1 8.537 0.012 . . . . . . A 223 GLY H . 19988 1 1291 . 1 1 124 124 GLY HA2 H 1 3.981 0.019 . . . . . . A 223 GLY HA2 . 19988 1 1292 . 1 1 124 124 GLY HA3 H 1 3.981 0.019 . . . . . . A 223 GLY HA3 . 19988 1 1293 . 1 1 124 124 GLY C C 13 174.876 0.000 . . . . . . A 223 GLY C . 19988 1 1294 . 1 1 124 124 GLY CA C 13 45.329 0.066 . . . . . . A 223 GLY CA . 19988 1 1295 . 1 1 124 124 GLY N N 15 109.659 0.186 . . . . . . A 223 GLY N . 19988 1 1296 . 1 1 125 125 GLY H H 1 8.257 0.006 . . . . . . A 224 GLY H . 19988 1 1297 . 1 1 125 125 GLY HA2 H 1 4.008 0.000 . . . . . . A 224 GLY HA2 . 19988 1 1298 . 1 1 125 125 GLY HA3 H 1 3.907 0.035 . . . . . . A 224 GLY HA3 . 19988 1 1299 . 1 1 125 125 GLY C C 13 173.972 0.000 . . . . . . A 224 GLY C . 19988 1 1300 . 1 1 125 125 GLY CA C 13 45.186 0.058 . . . . . . A 224 GLY CA . 19988 1 1301 . 1 1 125 125 GLY N N 15 108.910 0.172 . . . . . . A 224 GLY N . 19988 1 1302 . 1 1 126 126 LEU H H 1 8.109 0.011 . . . . . . A 225 LEU H . 19988 1 1303 . 1 1 126 126 LEU HA H 1 4.362 0.009 . . . . . . A 225 LEU HA . 19988 1 1304 . 1 1 126 126 LEU HB2 H 1 1.600 0.007 . . . . . . A 225 LEU HB2 . 19988 1 1305 . 1 1 126 126 LEU HB3 H 1 1.600 0.007 . . . . . . A 225 LEU HB3 . 19988 1 1306 . 1 1 126 126 LEU HD11 H 1 0.935 0.000 . . . . . . A 225 LEU HD11 . 19988 1 1307 . 1 1 126 126 LEU HD12 H 1 0.935 0.000 . . . . . . A 225 LEU HD12 . 19988 1 1308 . 1 1 126 126 LEU HD13 H 1 0.935 0.000 . . . . . . A 225 LEU HD13 . 19988 1 1309 . 1 1 126 126 LEU HD21 H 1 0.878 0.000 . . . . . . A 225 LEU HD21 . 19988 1 1310 . 1 1 126 126 LEU HD22 H 1 0.878 0.000 . . . . . . A 225 LEU HD22 . 19988 1 1311 . 1 1 126 126 LEU HD23 H 1 0.878 0.000 . . . . . . A 225 LEU HD23 . 19988 1 1312 . 1 1 126 126 LEU C C 13 176.883 0.000 . . . . . . A 225 LEU C . 19988 1 1313 . 1 1 126 126 LEU CA C 13 54.765 0.077 . . . . . . A 225 LEU CA . 19988 1 1314 . 1 1 126 126 LEU CB C 13 42.492 0.095 . . . . . . A 225 LEU CB . 19988 1 1315 . 1 1 126 126 LEU N N 15 121.779 0.049 . . . . . . A 225 LEU N . 19988 1 1316 . 1 1 127 127 ALA H H 1 8.263 0.006 . . . . . . A 226 ALA H . 19988 1 1317 . 1 1 127 127 ALA HA H 1 4.582 0.016 . . . . . . A 226 ALA HA . 19988 1 1318 . 1 1 127 127 ALA HB1 H 1 1.355 0.013 . . . . . . A 226 ALA HB1 . 19988 1 1319 . 1 1 127 127 ALA HB2 H 1 1.355 0.013 . . . . . . A 226 ALA HB2 . 19988 1 1320 . 1 1 127 127 ALA HB3 H 1 1.355 0.013 . . . . . . A 226 ALA HB3 . 19988 1 1321 . 1 1 127 127 ALA CA C 13 50.331 0.093 . . . . . . A 226 ALA CA . 19988 1 1322 . 1 1 127 127 ALA CB C 13 18.136 0.047 . . . . . . A 226 ALA CB . 19988 1 1323 . 1 1 127 127 ALA N N 15 126.791 0.206 . . . . . . A 226 ALA N . 19988 1 stop_ save_