data_27550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27550 _Entry.Title ; Shr Hemoglobin Interacting Domain 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-17 _Entry.Accession_date 2018-07-17 _Entry.Last_release_date 2018-07-18 _Entry.Original_release_date 2018-07-18 _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 Ramsay Macdonald . . . . 27550 2 Duilio Cascio . . . . 27550 3 Michael Collazo . J. . . 27550 4 Martin Phillips . . . . 27550 5 Robert Clubb . T. . . 27550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 27550 '15N chemical shifts' 123 27550 '1H chemical shifts' 441 27550 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-01-24 2018-07-17 update BMRB 'update entry citation' 27550 1 . . 2018-10-08 2018-07-17 original author 'original release' 27550 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27550 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30301765 _Citation.Full_citation . _Citation.Title ; The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 293 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 18365 _Citation.Page_last 18377 _Citation.Year 2018 _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 Ramsay Macdonald . . . . 27550 1 2 Duilio Cascio . . . . 27550 1 3 Michael Collazo . J. . . 27550 1 4 Martin Phillips . . . . 27550 1 5 Robert Clubb . T. . . 27550 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DUF1533 27550 1 Hemoglobin 27550 1 Shr 27550 1 'Streptococcus pyogenes' 27550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27550 _Assembly.ID 1 _Assembly.Name Shr-HID2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14400 _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 Shr-HID2 1 $Shr-HID2 A . yes native no no . . . 27550 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6dkq . . X-ray 1.5 'crystal structure without the N-terminal 20 residues present in this construct' . 27550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Shr-HID2 _Entity.Sf_category entity _Entity.Sf_framecode Shr-HID2 _Entity.Entry_ID 27550 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Shr-HID2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SKTVPQNQGTQKVVKSGKNT ANLSLITKLSQEDGAILFPE IDRYSDNKQIKALTQQITKV TVNGTVYKDLISDSVKDTNG WVSNMTGLHLGTKAFKDGEN TIVISSKGFEDVTITVTKKD GQIHFVSAKQKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first serine residue is a cloning artifact.' _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment HID2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hemoglobin binding domain' 27550 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 154 SER . 27550 1 2 155 LYS . 27550 1 3 156 THR . 27550 1 4 157 VAL . 27550 1 5 158 PRO . 27550 1 6 159 GLN . 27550 1 7 160 ASN . 27550 1 8 161 GLN . 27550 1 9 162 GLY . 27550 1 10 163 THR . 27550 1 11 164 GLN . 27550 1 12 165 LYS . 27550 1 13 166 VAL . 27550 1 14 167 VAL . 27550 1 15 168 LYS . 27550 1 16 169 SER . 27550 1 17 170 GLY . 27550 1 18 171 LYS . 27550 1 19 172 ASN . 27550 1 20 173 THR . 27550 1 21 174 ALA . 27550 1 22 175 ASN . 27550 1 23 176 LEU . 27550 1 24 177 SER . 27550 1 25 178 LEU . 27550 1 26 179 ILE . 27550 1 27 180 THR . 27550 1 28 181 LYS . 27550 1 29 182 LEU . 27550 1 30 183 SER . 27550 1 31 184 GLN . 27550 1 32 185 GLU . 27550 1 33 186 ASP . 27550 1 34 187 GLY . 27550 1 35 188 ALA . 27550 1 36 189 ILE . 27550 1 37 190 LEU . 27550 1 38 191 PHE . 27550 1 39 192 PRO . 27550 1 40 193 GLU . 27550 1 41 194 ILE . 27550 1 42 195 ASP . 27550 1 43 196 ARG . 27550 1 44 197 TYR . 27550 1 45 198 SER . 27550 1 46 199 ASP . 27550 1 47 200 ASN . 27550 1 48 201 LYS . 27550 1 49 202 GLN . 27550 1 50 203 ILE . 27550 1 51 204 LYS . 27550 1 52 205 ALA . 27550 1 53 206 LEU . 27550 1 54 207 THR . 27550 1 55 208 GLN . 27550 1 56 209 GLN . 27550 1 57 210 ILE . 27550 1 58 211 THR . 27550 1 59 212 LYS . 27550 1 60 213 VAL . 27550 1 61 214 THR . 27550 1 62 215 VAL . 27550 1 63 216 ASN . 27550 1 64 217 GLY . 27550 1 65 218 THR . 27550 1 66 219 VAL . 27550 1 67 220 TYR . 27550 1 68 221 LYS . 27550 1 69 222 ASP . 27550 1 70 223 LEU . 27550 1 71 224 ILE . 27550 1 72 225 SER . 27550 1 73 226 ASP . 27550 1 74 227 SER . 27550 1 75 228 VAL . 27550 1 76 229 LYS . 27550 1 77 230 ASP . 27550 1 78 231 THR . 27550 1 79 232 ASN . 27550 1 80 233 GLY . 27550 1 81 234 TRP . 27550 1 82 235 VAL . 27550 1 83 236 SER . 27550 1 84 237 ASN . 27550 1 85 238 MET . 27550 1 86 239 THR . 27550 1 87 240 GLY . 27550 1 88 241 LEU . 27550 1 89 242 HIS . 27550 1 90 243 LEU . 27550 1 91 244 GLY . 27550 1 92 245 THR . 27550 1 93 246 LYS . 27550 1 94 247 ALA . 27550 1 95 248 PHE . 27550 1 96 249 LYS . 27550 1 97 250 ASP . 27550 1 98 251 GLY . 27550 1 99 252 GLU . 27550 1 100 253 ASN . 27550 1 101 254 THR . 27550 1 102 255 ILE . 27550 1 103 256 VAL . 27550 1 104 257 ILE . 27550 1 105 258 SER . 27550 1 106 259 SER . 27550 1 107 260 LYS . 27550 1 108 261 GLY . 27550 1 109 262 PHE . 27550 1 110 263 GLU . 27550 1 111 264 ASP . 27550 1 112 265 VAL . 27550 1 113 266 THR . 27550 1 114 267 ILE . 27550 1 115 268 THR . 27550 1 116 269 VAL . 27550 1 117 270 THR . 27550 1 118 271 LYS . 27550 1 119 272 LYS . 27550 1 120 273 ASP . 27550 1 121 274 GLY . 27550 1 122 275 GLN . 27550 1 123 276 ILE . 27550 1 124 277 HIS . 27550 1 125 278 PHE . 27550 1 126 279 VAL . 27550 1 127 280 SER . 27550 1 128 281 ALA . 27550 1 129 282 LYS . 27550 1 130 283 GLN . 27550 1 131 284 LYS . 27550 1 132 285 GLN . 27550 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 . SER 1 1 27550 1 . LYS 2 2 27550 1 . THR 3 3 27550 1 . VAL 4 4 27550 1 . PRO 5 5 27550 1 . GLN 6 6 27550 1 . ASN 7 7 27550 1 . GLN 8 8 27550 1 . GLY 9 9 27550 1 . THR 10 10 27550 1 . GLN 11 11 27550 1 . LYS 12 12 27550 1 . VAL 13 13 27550 1 . VAL 14 14 27550 1 . LYS 15 15 27550 1 . SER 16 16 27550 1 . GLY 17 17 27550 1 . LYS 18 18 27550 1 . ASN 19 19 27550 1 . THR 20 20 27550 1 . ALA 21 21 27550 1 . ASN 22 22 27550 1 . LEU 23 23 27550 1 . SER 24 24 27550 1 . LEU 25 25 27550 1 . ILE 26 26 27550 1 . THR 27 27 27550 1 . LYS 28 28 27550 1 . LEU 29 29 27550 1 . SER 30 30 27550 1 . GLN 31 31 27550 1 . GLU 32 32 27550 1 . ASP 33 33 27550 1 . GLY 34 34 27550 1 . ALA 35 35 27550 1 . ILE 36 36 27550 1 . LEU 37 37 27550 1 . PHE 38 38 27550 1 . PRO 39 39 27550 1 . GLU 40 40 27550 1 . ILE 41 41 27550 1 . ASP 42 42 27550 1 . ARG 43 43 27550 1 . TYR 44 44 27550 1 . SER 45 45 27550 1 . ASP 46 46 27550 1 . ASN 47 47 27550 1 . LYS 48 48 27550 1 . GLN 49 49 27550 1 . ILE 50 50 27550 1 . LYS 51 51 27550 1 . ALA 52 52 27550 1 . LEU 53 53 27550 1 . THR 54 54 27550 1 . GLN 55 55 27550 1 . GLN 56 56 27550 1 . ILE 57 57 27550 1 . THR 58 58 27550 1 . LYS 59 59 27550 1 . VAL 60 60 27550 1 . THR 61 61 27550 1 . VAL 62 62 27550 1 . ASN 63 63 27550 1 . GLY 64 64 27550 1 . THR 65 65 27550 1 . VAL 66 66 27550 1 . TYR 67 67 27550 1 . LYS 68 68 27550 1 . ASP 69 69 27550 1 . LEU 70 70 27550 1 . ILE 71 71 27550 1 . SER 72 72 27550 1 . ASP 73 73 27550 1 . SER 74 74 27550 1 . VAL 75 75 27550 1 . LYS 76 76 27550 1 . ASP 77 77 27550 1 . THR 78 78 27550 1 . ASN 79 79 27550 1 . GLY 80 80 27550 1 . TRP 81 81 27550 1 . VAL 82 82 27550 1 . SER 83 83 27550 1 . ASN 84 84 27550 1 . MET 85 85 27550 1 . THR 86 86 27550 1 . GLY 87 87 27550 1 . LEU 88 88 27550 1 . HIS 89 89 27550 1 . LEU 90 90 27550 1 . GLY 91 91 27550 1 . THR 92 92 27550 1 . LYS 93 93 27550 1 . ALA 94 94 27550 1 . PHE 95 95 27550 1 . LYS 96 96 27550 1 . ASP 97 97 27550 1 . GLY 98 98 27550 1 . GLU 99 99 27550 1 . ASN 100 100 27550 1 . THR 101 101 27550 1 . ILE 102 102 27550 1 . VAL 103 103 27550 1 . ILE 104 104 27550 1 . SER 105 105 27550 1 . SER 106 106 27550 1 . LYS 107 107 27550 1 . GLY 108 108 27550 1 . PHE 109 109 27550 1 . GLU 110 110 27550 1 . ASP 111 111 27550 1 . VAL 112 112 27550 1 . THR 113 113 27550 1 . ILE 114 114 27550 1 . THR 115 115 27550 1 . VAL 116 116 27550 1 . THR 117 117 27550 1 . LYS 118 118 27550 1 . LYS 119 119 27550 1 . ASP 120 120 27550 1 . GLY 121 121 27550 1 . GLN 122 122 27550 1 . ILE 123 123 27550 1 . HIS 124 124 27550 1 . PHE 125 125 27550 1 . VAL 126 126 27550 1 . SER 127 127 27550 1 . ALA 128 128 27550 1 . LYS 129 129 27550 1 . GLN 130 130 27550 1 . LYS 131 131 27550 1 . GLN 132 132 27550 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 27550 _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 $Shr-HID2 . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . . . Streptococcus pyogenes . . . . . . . . . . . . . 27550 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 27550 _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 $Shr-HID2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRAM402 . . 'Residues 155-285 of Shr from Streptococcus pyogenes cloned into the pE-SUMO vector.' 27550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27550 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Shr-HID2 '[U-100% 13C; U-100% 15N]' . . 1 $Shr-HID2 . . 1.1 . . mM . . . . 27550 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27550 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27550 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27550 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27550 _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' 0.1 . M 27550 1 pH 6.0 . pH 27550 1 pressure 1 . atm 27550 1 temperature 298 . K 27550 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27550 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27550 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27550 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27550 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27550 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27550 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27550 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27550 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27550 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27550 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27550 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27550 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27550 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27550 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27550 5 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 27550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27550 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27550 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27550 _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 . 800 . . . 27550 1 2 spectrometer_2 Bruker DRX . 600 . . . 27550 1 3 spectrometer_3 Bruker DRX . 500 . . . 27550 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 27550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 11 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 1 12 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27550 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 27550 _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 na indirect 0.251449530 . . . . . 27550 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27550 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.00 external direct 0.101329118 . . . . . 27550 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 27550 _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' . . . 27550 1 2 '2D 1H-13C HSQC aliphatic' . . . 27550 1 3 '3D CBCA(CO)NH' . . . 27550 1 4 '3D HNCACB' . . . 27550 1 5 '3D HNCO' . . . 27550 1 6 '3D HNCA' . . . 27550 1 7 '3D HNHA' . . . 27550 1 8 '3D HNHB' . . . 27550 1 9 '3D HBHA(CO)NH' . . . 27550 1 10 '3D HN(CA)CO' . . . 27550 1 11 '3D HBHANH' . . . 27550 1 12 '3D CC(CO)NH' . . . 27550 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 3 3 THR H H 1 8.311 . . 1 . . . . . 156 THR H . 27550 1 2 . 1 1 3 3 THR HA H 1 4.329 . . 1 . . . . . 156 THR HA . 27550 1 3 . 1 1 3 3 THR HB H 1 4.093 . . 1 . . . . . 156 THR HB . 27550 1 4 . 1 1 3 3 THR C C 13 174.182 . . 1 . . . . . 156 THR C . 27550 1 5 . 1 1 3 3 THR CA C 13 61.344 . . 1 . . . . . 156 THR CA . 27550 1 6 . 1 1 3 3 THR CB C 13 69.318 . . 1 . . . . . 156 THR CB . 27550 1 7 . 1 1 3 3 THR N N 15 116.995 . . 1 . . . . . 156 THR N . 27550 1 8 . 1 1 4 4 VAL H H 1 8.295 . . 1 . . . . . 157 VAL H . 27550 1 9 . 1 1 4 4 VAL HA H 1 4.343 . . 1 . . . . . 157 VAL HA . 27550 1 10 . 1 1 4 4 VAL HB H 1 2.068 . . 1 . . . . . 157 VAL HB . 27550 1 11 . 1 1 4 4 VAL CA C 13 59.217 . . 1 . . . . . 157 VAL CA . 27550 1 12 . 1 1 4 4 VAL CB C 13 32.106 . . 1 . . . . . 157 VAL CB . 27550 1 13 . 1 1 4 4 VAL N N 15 124.534 . . 1 . . . . . 157 VAL N . 27550 1 14 . 1 1 6 6 GLN H H 1 8.523 . . 1 . . . . . 159 GLN H . 27550 1 15 . 1 1 6 6 GLN HA H 1 4.266 . . 1 . . . . . 159 GLN HA . 27550 1 16 . 1 1 6 6 GLN HB2 H 1 2.015 . . 2 . . . . . 159 GLN HB2 . 27550 1 17 . 1 1 6 6 GLN HB3 H 1 2.015 . . 2 . . . . . 159 GLN HB3 . 27550 1 18 . 1 1 6 6 GLN C C 13 175.906 . . 1 . . . . . 159 GLN C . 27550 1 19 . 1 1 6 6 GLN CA C 13 55.496 . . 1 . . . . . 159 GLN CA . 27550 1 20 . 1 1 6 6 GLN CB C 13 28.917 . . 1 . . . . . 159 GLN CB . 27550 1 21 . 1 1 6 6 GLN N N 15 120.542 . . 1 . . . . . 159 GLN N . 27550 1 22 . 1 1 7 7 ASN H H 1 8.509 . . 1 . . . . . 160 ASN H . 27550 1 23 . 1 1 7 7 ASN HA H 1 4.631 . . 1 . . . . . 160 ASN HA . 27550 1 24 . 1 1 7 7 ASN HB2 H 1 2.768 . . 2 . . . . . 160 ASN HB2 . 27550 1 25 . 1 1 7 7 ASN HB3 H 1 2.768 . . 2 . . . . . 160 ASN HB3 . 27550 1 26 . 1 1 7 7 ASN C C 13 175.221 . . 1 . . . . . 160 ASN C . 27550 1 27 . 1 1 7 7 ASN CA C 13 52.837 . . 1 . . . . . 160 ASN CA . 27550 1 28 . 1 1 7 7 ASN CB C 13 38.477 . . 1 . . . . . 160 ASN CB . 27550 1 29 . 1 1 7 7 ASN N N 15 119.510 . . 1 . . . . . 160 ASN N . 27550 1 30 . 1 1 8 8 GLN H H 1 8.467 . . 1 . . . . . 161 GLN H . 27550 1 31 . 1 1 8 8 GLN HA H 1 4.332 . . 1 . . . . . 161 GLN HA . 27550 1 32 . 1 1 8 8 GLN HB2 H 1 1.968 . . 2 . . . . . 161 GLN HB2 . 27550 1 33 . 1 1 8 8 GLN HB3 H 1 2.146 . . 2 . . . . . 161 GLN HB3 . 27550 1 34 . 1 1 8 8 GLN C C 13 176.510 . . 1 . . . . . 161 GLN C . 27550 1 35 . 1 1 8 8 GLN CA C 13 55.511 . . 1 . . . . . 161 GLN CA . 27550 1 36 . 1 1 8 8 GLN CB C 13 28.916 . . 1 . . . . . 161 GLN CB . 27550 1 37 . 1 1 8 8 GLN N N 15 120.969 . . 1 . . . . . 161 GLN N . 27550 1 38 . 1 1 9 9 GLY H H 1 8.473 . . 1 . . . . . 162 GLY H . 27550 1 39 . 1 1 9 9 GLY HA2 H 1 3.990 . . 2 . . . . . 162 GLY HA2 . 27550 1 40 . 1 1 9 9 GLY HA3 H 1 3.990 . . 2 . . . . . 162 GLY HA3 . 27550 1 41 . 1 1 9 9 GLY C C 13 174.431 . . 1 . . . . . 162 GLY C . 27550 1 42 . 1 1 9 9 GLY CA C 13 44.864 . . 1 . . . . . 162 GLY CA . 27550 1 43 . 1 1 9 9 GLY N N 15 109.538 . . 1 . . . . . 162 GLY N . 27550 1 44 . 1 1 10 10 THR H H 1 8.083 . . 1 . . . . . 163 THR H . 27550 1 45 . 1 1 10 10 THR HA H 1 4.313 . . 1 . . . . . 163 THR HA . 27550 1 46 . 1 1 10 10 THR HB H 1 4.183 . . 1 . . . . . 163 THR HB . 27550 1 47 . 1 1 10 10 THR C C 13 174.732 . . 1 . . . . . 163 THR C . 27550 1 48 . 1 1 10 10 THR CA C 13 61.346 . . 1 . . . . . 163 THR CA . 27550 1 49 . 1 1 10 10 THR CB C 13 69.318 . . 1 . . . . . 163 THR CB . 27550 1 50 . 1 1 10 10 THR N N 15 113.523 . . 1 . . . . . 163 THR N . 27550 1 51 . 1 1 11 11 GLN H H 1 8.418 . . 1 . . . . . 164 GLN H . 27550 1 52 . 1 1 11 11 GLN HA H 1 4.329 . . 1 . . . . . 164 GLN HA . 27550 1 53 . 1 1 11 11 GLN HB2 H 1 2.017 . . 2 . . . . . 164 GLN HB2 . 27550 1 54 . 1 1 11 11 GLN HB3 H 1 2.017 . . 2 . . . . . 164 GLN HB3 . 27550 1 55 . 1 1 11 11 GLN C C 13 175.716 . . 1 . . . . . 164 GLN C . 27550 1 56 . 1 1 11 11 GLN CA C 13 55.496 . . 1 . . . . . 164 GLN CA . 27550 1 57 . 1 1 11 11 GLN CB C 13 28.915 . . 1 . . . . . 164 GLN CB . 27550 1 58 . 1 1 11 11 GLN N N 15 123.003 . . 1 . . . . . 164 GLN N . 27550 1 59 . 1 1 12 12 LYS H H 1 8.368 . . 1 . . . . . 165 LYS H . 27550 1 60 . 1 1 12 12 LYS HA H 1 4.268 . . 1 . . . . . 165 LYS HA . 27550 1 61 . 1 1 12 12 LYS HB2 H 1 1.703 . . 2 . . . . . 165 LYS HB2 . 27550 1 62 . 1 1 12 12 LYS HB3 H 1 1.703 . . 2 . . . . . 165 LYS HB3 . 27550 1 63 . 1 1 12 12 LYS C C 13 176.287 . . 1 . . . . . 165 LYS C . 27550 1 64 . 1 1 12 12 LYS CA C 13 55.507 . . 1 . . . . . 165 LYS CA . 27550 1 65 . 1 1 12 12 LYS CB C 13 32.633 . . 1 . . . . . 165 LYS CB . 27550 1 66 . 1 1 12 12 LYS N N 15 123.488 . . 1 . . . . . 165 LYS N . 27550 1 67 . 1 1 13 13 VAL H H 1 8.224 . . 1 . . . . . 166 VAL H . 27550 1 68 . 1 1 13 13 VAL HA H 1 4.078 . . 1 . . . . . 166 VAL HA . 27550 1 69 . 1 1 13 13 VAL HB H 1 1.992 . . 1 . . . . . 166 VAL HB . 27550 1 70 . 1 1 13 13 VAL C C 13 175.936 . . 1 . . . . . 166 VAL C . 27550 1 71 . 1 1 13 13 VAL CA C 13 61.873 . . 1 . . . . . 166 VAL CA . 27550 1 72 . 1 1 13 13 VAL CB C 13 32.615 . . 1 . . . . . 166 VAL CB . 27550 1 73 . 1 1 13 13 VAL N N 15 122.528 . . 1 . . . . . 166 VAL N . 27550 1 74 . 1 1 14 14 VAL H H 1 8.352 . . 1 . . . . . 167 VAL H . 27550 1 75 . 1 1 14 14 VAL HA H 1 4.085 . . 1 . . . . . 167 VAL HA . 27550 1 76 . 1 1 14 14 VAL HB H 1 1.998 . . 1 . . . . . 167 VAL HB . 27550 1 77 . 1 1 14 14 VAL C C 13 175.937 . . 1 . . . . . 167 VAL C . 27550 1 78 . 1 1 14 14 VAL CA C 13 61.413 . . 1 . . . . . 167 VAL CA . 27550 1 79 . 1 1 14 14 VAL CB C 13 32.543 . . 1 . . . . . 167 VAL CB . 27550 1 80 . 1 1 14 14 VAL N N 15 125.561 . . 1 . . . . . 167 VAL N . 27550 1 81 . 1 1 15 15 LYS H H 1 8.494 . . 1 . . . . . 168 LYS H . 27550 1 82 . 1 1 15 15 LYS HA H 1 4.352 . . 1 . . . . . 168 LYS HA . 27550 1 83 . 1 1 15 15 LYS HB2 H 1 1.766 . . 2 . . . . . 168 LYS HB2 . 27550 1 84 . 1 1 15 15 LYS HB3 H 1 1.766 . . 2 . . . . . 168 LYS HB3 . 27550 1 85 . 1 1 15 15 LYS C C 13 176.347 . . 1 . . . . . 168 LYS C . 27550 1 86 . 1 1 15 15 LYS CA C 13 55.498 . . 1 . . . . . 168 LYS CA . 27550 1 87 . 1 1 15 15 LYS CB C 13 32.638 . . 1 . . . . . 168 LYS CB . 27550 1 88 . 1 1 15 15 LYS N N 15 126.405 . . 1 . . . . . 168 LYS N . 27550 1 89 . 1 1 16 16 SER H H 1 8.413 . . 1 . . . . . 169 SER H . 27550 1 90 . 1 1 16 16 SER HA H 1 4.392 . . 1 . . . . . 169 SER HA . 27550 1 91 . 1 1 16 16 SER HB2 H 1 3.829 . . 2 . . . . . 169 SER HB2 . 27550 1 92 . 1 1 16 16 SER HB3 H 1 3.829 . . 2 . . . . . 169 SER HB3 . 27550 1 93 . 1 1 16 16 SER C C 13 174.973 . . 1 . . . . . 169 SER C . 27550 1 94 . 1 1 16 16 SER CA C 13 57.624 . . 1 . . . . . 169 SER CA . 27550 1 95 . 1 1 16 16 SER CB C 13 63.470 . . 1 . . . . . 169 SER CB . 27550 1 96 . 1 1 16 16 SER N N 15 117.579 . . 1 . . . . . 169 SER N . 27550 1 97 . 1 1 17 17 GLY H H 1 8.460 . . 1 . . . . . 170 GLY H . 27550 1 98 . 1 1 17 17 GLY HA2 H 1 3.954 . . 2 . . . . . 170 GLY HA2 . 27550 1 99 . 1 1 17 17 GLY HA3 H 1 3.954 . . 2 . . . . . 170 GLY HA3 . 27550 1 100 . 1 1 17 17 GLY C C 13 173.884 . . 1 . . . . . 170 GLY C . 27550 1 101 . 1 1 17 17 GLY CA C 13 44.864 . . 1 . . . . . 170 GLY CA . 27550 1 102 . 1 1 17 17 GLY N N 15 111.019 . . 1 . . . . . 170 GLY N . 27550 1 103 . 1 1 18 18 LYS H H 1 8.228 . . 1 . . . . . 171 LYS H . 27550 1 104 . 1 1 18 18 LYS HA H 1 4.301 . . 1 . . . . . 171 LYS HA . 27550 1 105 . 1 1 18 18 LYS HB2 H 1 1.641 . . 2 . . . . . 171 LYS HB2 . 27550 1 106 . 1 1 18 18 LYS HB3 H 1 1.641 . . 2 . . . . . 171 LYS HB3 . 27550 1 107 . 1 1 18 18 LYS C C 13 176.212 . . 1 . . . . . 171 LYS C . 27550 1 108 . 1 1 18 18 LYS CA C 13 55.497 . . 1 . . . . . 171 LYS CA . 27550 1 109 . 1 1 18 18 LYS CB C 13 33.169 . . 1 . . . . . 171 LYS CB . 27550 1 110 . 1 1 18 18 LYS N N 15 120.477 . . 1 . . . . . 171 LYS N . 27550 1 111 . 1 1 19 19 ASN H H 1 8.516 . . 1 . . . . . 172 ASN H . 27550 1 112 . 1 1 19 19 ASN HA H 1 4.802 . . 1 . . . . . 172 ASN HA . 27550 1 113 . 1 1 19 19 ASN HB2 H 1 2.507 . . 2 . . . . . 172 ASN HB2 . 27550 1 114 . 1 1 19 19 ASN HB3 H 1 2.692 . . 2 . . . . . 172 ASN HB3 . 27550 1 115 . 1 1 19 19 ASN C C 13 175.198 . . 1 . . . . . 172 ASN C . 27550 1 116 . 1 1 19 19 ASN CA C 13 52.830 . . 1 . . . . . 172 ASN CA . 27550 1 117 . 1 1 19 19 ASN CB C 13 38.826 . . 1 . . . . . 172 ASN CB . 27550 1 118 . 1 1 19 19 ASN N N 15 119.112 . . 1 . . . . . 172 ASN N . 27550 1 119 . 1 1 20 20 THR H H 1 8.303 . . 1 . . . . . 173 THR H . 27550 1 120 . 1 1 20 20 THR HA H 1 4.334 . . 1 . . . . . 173 THR HA . 27550 1 121 . 1 1 20 20 THR HB H 1 4.145 . . 1 . . . . . 173 THR HB . 27550 1 122 . 1 1 20 20 THR C C 13 173.536 . . 1 . . . . . 173 THR C . 27550 1 123 . 1 1 20 20 THR CA C 13 61.371 . . 1 . . . . . 173 THR CA . 27550 1 124 . 1 1 20 20 THR CB C 13 69.337 . . 1 . . . . . 173 THR CB . 27550 1 125 . 1 1 20 20 THR N N 15 114.529 . . 1 . . . . . 173 THR N . 27550 1 126 . 1 1 21 21 ALA H H 1 8.342 . . 1 . . . . . 174 ALA H . 27550 1 127 . 1 1 21 21 ALA HA H 1 4.520 . . 1 . . . . . 174 ALA HA . 27550 1 128 . 1 1 21 21 ALA HB1 H 1 1.289 . . 1 . . . . . 174 ALA HB . 27550 1 129 . 1 1 21 21 ALA HB2 H 1 1.289 . . 1 . . . . . 174 ALA HB . 27550 1 130 . 1 1 21 21 ALA HB3 H 1 1.289 . . 1 . . . . . 174 ALA HB . 27550 1 131 . 1 1 21 21 ALA C C 13 176.429 . . 1 . . . . . 174 ALA C . 27550 1 132 . 1 1 21 21 ALA CA C 13 50.713 . . 1 . . . . . 174 ALA CA . 27550 1 133 . 1 1 21 21 ALA CB C 13 20.409 . . 1 . . . . . 174 ALA CB . 27550 1 134 . 1 1 21 21 ALA N N 15 126.017 . . 1 . . . . . 174 ALA N . 27550 1 135 . 1 1 22 22 ASN H H 1 8.455 . . 1 . . . . . 175 ASN H . 27550 1 136 . 1 1 22 22 ASN HA H 1 4.770 . . 1 . . . . . 175 ASN HA . 27550 1 137 . 1 1 22 22 ASN HB2 H 1 2.759 . . 2 . . . . . 175 ASN HB2 . 27550 1 138 . 1 1 22 22 ASN HB3 H 1 2.856 . . 2 . . . . . 175 ASN HB3 . 27550 1 139 . 1 1 22 22 ASN C C 13 175.271 . . 1 . . . . . 175 ASN C . 27550 1 140 . 1 1 22 22 ASN CA C 13 52.838 . . 1 . . . . . 175 ASN CA . 27550 1 141 . 1 1 22 22 ASN CB C 13 37.951 . . 1 . . . . . 175 ASN CB . 27550 1 142 . 1 1 22 22 ASN N N 15 117.638 . . 1 . . . . . 175 ASN N . 27550 1 143 . 1 1 23 23 LEU H H 1 8.542 . . 1 . . . . . 176 LEU H . 27550 1 144 . 1 1 23 23 LEU HA H 1 4.442 . . 1 . . . . . 176 LEU HA . 27550 1 145 . 1 1 23 23 LEU HB2 H 1 1.458 . . 2 . . . . . 176 LEU HB2 . 27550 1 146 . 1 1 23 23 LEU HB3 H 1 1.615 . . 2 . . . . . 176 LEU HB3 . 27550 1 147 . 1 1 23 23 LEU C C 13 176.994 . . 1 . . . . . 176 LEU C . 27550 1 148 . 1 1 23 23 LEU CA C 13 53.898 . . 1 . . . . . 176 LEU CA . 27550 1 149 . 1 1 23 23 LEU CB C 13 41.150 . . 1 . . . . . 176 LEU CB . 27550 1 150 . 1 1 23 23 LEU N N 15 124.999 . . 1 . . . . . 176 LEU N . 27550 1 151 . 1 1 24 24 SER H H 1 8.516 . . 1 . . . . . 177 SER H . 27550 1 152 . 1 1 24 24 SER C C 13 174.073 . . 1 . . . . . 177 SER C . 27550 1 153 . 1 1 24 24 SER CA C 13 59.219 . . 1 . . . . . 177 SER CA . 27550 1 154 . 1 1 24 24 SER CB C 13 62.928 . . 1 . . . . . 177 SER CB . 27550 1 155 . 1 1 24 24 SER N N 15 118.493 . . 1 . . . . . 177 SER N . 27550 1 156 . 1 1 25 25 LEU H H 1 7.060 . . 1 . . . . . 178 LEU H . 27550 1 157 . 1 1 25 25 LEU HA H 1 4.010 . . 1 . . . . . 178 LEU HA . 27550 1 158 . 1 1 25 25 LEU HB2 H 1 1.410 . . 2 . . . . . 178 LEU HB2 . 27550 1 159 . 1 1 25 25 LEU HB3 H 1 1.532 . . 2 . . . . . 178 LEU HB3 . 27550 1 160 . 1 1 25 25 LEU C C 13 175.160 . . 1 . . . . . 178 LEU C . 27550 1 161 . 1 1 25 25 LEU CA C 13 54.964 . . 1 . . . . . 178 LEU CA . 27550 1 162 . 1 1 25 25 LEU CB C 13 42.209 . . 1 . . . . . 178 LEU CB . 27550 1 163 . 1 1 25 25 LEU N N 15 118.036 . . 1 . . . . . 178 LEU N . 27550 1 164 . 1 1 26 26 ILE H H 1 6.923 . . 1 . . . . . 179 ILE H . 27550 1 165 . 1 1 26 26 ILE HA H 1 4.269 . . 1 . . . . . 179 ILE HA . 27550 1 166 . 1 1 26 26 ILE HB H 1 1.538 . . 1 . . . . . 179 ILE HB . 27550 1 167 . 1 1 26 26 ILE C C 13 174.977 . . 1 . . . . . 179 ILE C . 27550 1 168 . 1 1 26 26 ILE CA C 13 59.219 . . 1 . . . . . 179 ILE CA . 27550 1 169 . 1 1 26 26 ILE CB C 13 38.487 . . 1 . . . . . 179 ILE CB . 27550 1 170 . 1 1 26 26 ILE N N 15 116.009 . . 1 . . . . . 179 ILE N . 27550 1 171 . 1 1 27 27 THR H H 1 10.933 . . 1 . . . . . 180 THR H . 27550 1 172 . 1 1 27 27 THR HB H 1 4.061 . . 1 . . . . . 180 THR HB . 27550 1 173 . 1 1 27 27 THR C C 13 174.105 . . 1 . . . . . 180 THR C . 27550 1 174 . 1 1 27 27 THR CA C 13 60.814 . . 1 . . . . . 180 THR CA . 27550 1 175 . 1 1 27 27 THR CB C 13 71.980 . . 1 . . . . . 180 THR CB . 27550 1 176 . 1 1 27 27 THR N N 15 117.020 . . 1 . . . . . 180 THR N . 27550 1 177 . 1 1 28 28 LYS H H 1 7.026 . . 1 . . . . . 181 LYS H . 27550 1 178 . 1 1 28 28 LYS HA H 1 4.298 . . 1 . . . . . 181 LYS HA . 27550 1 179 . 1 1 28 28 LYS HB2 H 1 1.647 . . 2 . . . . . 181 LYS HB2 . 27550 1 180 . 1 1 28 28 LYS HB3 H 1 1.647 . . 2 . . . . . 181 LYS HB3 . 27550 1 181 . 1 1 28 28 LYS C C 13 172.352 . . 1 . . . . . 181 LYS C . 27550 1 182 . 1 1 28 28 LYS CA C 13 54.442 . . 1 . . . . . 181 LYS CA . 27550 1 183 . 1 1 28 28 LYS CB C 13 34.233 . . 1 . . . . . 181 LYS CB . 27550 1 184 . 1 1 28 28 LYS N N 15 117.977 . . 1 . . . . . 181 LYS N . 27550 1 185 . 1 1 29 29 LEU H H 1 8.457 . . 1 . . . . . 182 LEU H . 27550 1 186 . 1 1 29 29 LEU HA H 1 4.973 . . 1 . . . . . 182 LEU HA . 27550 1 187 . 1 1 29 29 LEU HB2 H 1 1.081 . . 2 . . . . . 182 LEU HB2 . 27550 1 188 . 1 1 29 29 LEU HB3 H 1 1.455 . . 2 . . . . . 182 LEU HB3 . 27550 1 189 . 1 1 29 29 LEU C C 13 175.101 . . 1 . . . . . 182 LEU C . 27550 1 190 . 1 1 29 29 LEU CA C 13 53.368 . . 1 . . . . . 182 LEU CA . 27550 1 191 . 1 1 29 29 LEU CB C 13 44.867 . . 1 . . . . . 182 LEU CB . 27550 1 192 . 1 1 29 29 LEU N N 15 115.969 . . 1 . . . . . 182 LEU N . 27550 1 193 . 1 1 30 30 SER H H 1 9.339 . . 1 . . . . . 183 SER H . 27550 1 194 . 1 1 30 30 SER HA H 1 4.802 . . 1 . . . . . 183 SER HA . 27550 1 195 . 1 1 30 30 SER HB2 H 1 3.518 . . 2 . . . . . 183 SER HB2 . 27550 1 196 . 1 1 30 30 SER HB3 H 1 3.764 . . 2 . . . . . 183 SER HB3 . 27550 1 197 . 1 1 30 30 SER C C 13 172.983 . . 1 . . . . . 183 SER C . 27550 1 198 . 1 1 30 30 SER CA C 13 56.555 . . 1 . . . . . 183 SER CA . 27550 1 199 . 1 1 30 30 SER CB C 13 65.063 . . 1 . . . . . 183 SER CB . 27550 1 200 . 1 1 30 30 SER N N 15 116.130 . . 1 . . . . . 183 SER N . 27550 1 201 . 1 1 31 31 GLN H H 1 9.137 . . 1 . . . . . 184 GLN H . 27550 1 202 . 1 1 31 31 GLN HA H 1 4.366 . . 1 . . . . . 184 GLN HA . 27550 1 203 . 1 1 31 31 GLN HB2 H 1 2.042 . . 2 . . . . . 184 GLN HB2 . 27550 1 204 . 1 1 31 31 GLN HB3 H 1 2.155 . . 2 . . . . . 184 GLN HB3 . 27550 1 205 . 1 1 31 31 GLN C C 13 174.895 . . 1 . . . . . 184 GLN C . 27550 1 206 . 1 1 31 31 GLN CA C 13 57.063 . . 1 . . . . . 184 GLN CA . 27550 1 207 . 1 1 31 31 GLN CB C 13 29.975 . . 1 . . . . . 184 GLN CB . 27550 1 208 . 1 1 31 31 GLN N N 15 125.028 . . 1 . . . . . 184 GLN N . 27550 1 209 . 1 1 32 32 GLU H H 1 8.364 . . 1 . . . . . 185 GLU H . 27550 1 210 . 1 1 32 32 GLU HA H 1 4.641 . . 1 . . . . . 185 GLU HA . 27550 1 211 . 1 1 32 32 GLU HB2 H 1 1.649 . . 2 . . . . . 185 GLU HB2 . 27550 1 212 . 1 1 32 32 GLU HB3 H 1 1.997 . . 2 . . . . . 185 GLU HB3 . 27550 1 213 . 1 1 32 32 GLU C C 13 174.760 . . 1 . . . . . 185 GLU C . 27550 1 214 . 1 1 32 32 GLU CA C 13 53.900 . . 1 . . . . . 185 GLU CA . 27550 1 215 . 1 1 32 32 GLU CB C 13 31.588 . . 1 . . . . . 185 GLU CB . 27550 1 216 . 1 1 32 32 GLU N N 15 125.019 . . 1 . . . . . 185 GLU N . 27550 1 217 . 1 1 33 33 ASP H H 1 8.110 . . 1 . . . . . 186 ASP H . 27550 1 218 . 1 1 33 33 ASP HA H 1 4.546 . . 1 . . . . . 186 ASP HA . 27550 1 219 . 1 1 33 33 ASP HB2 H 1 2.588 . . 2 . . . . . 186 ASP HB2 . 27550 1 220 . 1 1 33 33 ASP HB3 H 1 2.707 . . 2 . . . . . 186 ASP HB3 . 27550 1 221 . 1 1 33 33 ASP C C 13 176.783 . . 1 . . . . . 186 ASP C . 27550 1 222 . 1 1 33 33 ASP CA C 13 53.900 . . 1 . . . . . 186 ASP CA . 27550 1 223 . 1 1 33 33 ASP CB C 13 39.547 . . 1 . . . . . 186 ASP CB . 27550 1 224 . 1 1 33 33 ASP N N 15 119.581 . . 1 . . . . . 186 ASP N . 27550 1 225 . 1 1 34 34 GLY H H 1 8.700 . . 1 . . . . . 187 GLY H . 27550 1 226 . 1 1 34 34 GLY HA2 H 1 3.703 . . 2 . . . . . 187 GLY HA2 . 27550 1 227 . 1 1 34 34 GLY HA3 H 1 3.892 . . 2 . . . . . 187 GLY HA3 . 27550 1 228 . 1 1 34 34 GLY C C 13 174.895 . . 1 . . . . . 187 GLY C . 27550 1 229 . 1 1 34 34 GLY CA C 13 47.515 . . 1 . . . . . 187 GLY CA . 27550 1 230 . 1 1 34 34 GLY N N 15 115.547 . . 1 . . . . . 187 GLY N . 27550 1 231 . 1 1 35 35 ALA H H 1 7.422 . . 1 . . . . . 188 ALA H . 27550 1 232 . 1 1 35 35 ALA HA H 1 5.317 . . 1 . . . . . 188 ALA HA . 27550 1 233 . 1 1 35 35 ALA HB1 H 1 1.203 . . 1 . . . . . 188 ALA HB . 27550 1 234 . 1 1 35 35 ALA HB2 H 1 1.203 . . 1 . . . . . 188 ALA HB . 27550 1 235 . 1 1 35 35 ALA HB3 H 1 1.203 . . 1 . . . . . 188 ALA HB . 27550 1 236 . 1 1 35 35 ALA C C 13 175.505 . . 1 . . . . . 188 ALA C . 27550 1 237 . 1 1 35 35 ALA CA C 13 51.249 . . 1 . . . . . 188 ALA CA . 27550 1 238 . 1 1 35 35 ALA CB C 13 23.065 . . 1 . . . . . 188 ALA CB . 27550 1 239 . 1 1 35 35 ALA N N 15 119.009 . . 1 . . . . . 188 ALA N . 27550 1 240 . 1 1 36 36 ILE H H 1 9.105 . . 1 . . . . . 189 ILE H . 27550 1 241 . 1 1 36 36 ILE HA H 1 4.819 . . 1 . . . . . 189 ILE HA . 27550 1 242 . 1 1 36 36 ILE HB H 1 1.475 . . 1 . . . . . 189 ILE HB . 27550 1 243 . 1 1 36 36 ILE C C 13 172.023 . . 1 . . . . . 189 ILE C . 27550 1 244 . 1 1 36 36 ILE CA C 13 59.217 . . 1 . . . . . 189 ILE CA . 27550 1 245 . 1 1 36 36 ILE CB C 13 42.203 . . 1 . . . . . 189 ILE CB . 27550 1 246 . 1 1 36 36 ILE N N 15 112.009 . . 1 . . . . . 189 ILE N . 27550 1 247 . 1 1 37 37 LEU H H 1 8.741 . . 1 . . . . . 190 LEU H . 27550 1 248 . 1 1 37 37 LEU HA H 1 4.993 . . 1 . . . . . 190 LEU HA . 27550 1 249 . 1 1 37 37 LEU HB2 H 1 0.959 . . 2 . . . . . 190 LEU HB2 . 27550 1 250 . 1 1 37 37 LEU HB3 H 1 1.464 . . 2 . . . . . 190 LEU HB3 . 27550 1 251 . 1 1 37 37 LEU C C 13 175.309 . . 1 . . . . . 190 LEU C . 27550 1 252 . 1 1 37 37 LEU CA C 13 52.294 . . 1 . . . . . 190 LEU CA . 27550 1 253 . 1 1 37 37 LEU CB C 13 44.859 . . 1 . . . . . 190 LEU CB . 27550 1 254 . 1 1 37 37 LEU N N 15 122.499 . . 1 . . . . . 190 LEU N . 27550 1 255 . 1 1 38 38 PHE H H 1 9.093 . . 1 . . . . . 191 PHE H . 27550 1 256 . 1 1 38 38 PHE HA H 1 5.076 . . 1 . . . . . 191 PHE HA . 27550 1 257 . 1 1 38 38 PHE HB2 H 1 3.049 . . 2 . . . . . 191 PHE HB2 . 27550 1 258 . 1 1 38 38 PHE HB3 H 1 3.241 . . 2 . . . . . 191 PHE HB3 . 27550 1 259 . 1 1 38 38 PHE CA C 13 54.422 . . 1 . . . . . 191 PHE CA . 27550 1 260 . 1 1 38 38 PHE CB C 13 39.015 . . 1 . . . . . 191 PHE CB . 27550 1 261 . 1 1 38 38 PHE N N 15 123.488 . . 1 . . . . . 191 PHE N . 27550 1 262 . 1 1 40 40 GLU H H 1 8.478 . . 1 . . . . . 193 GLU H . 27550 1 263 . 1 1 40 40 GLU HA H 1 4.163 . . 1 . . . . . 193 GLU HA . 27550 1 264 . 1 1 40 40 GLU HB2 H 1 2.014 . . 2 . . . . . 193 GLU HB2 . 27550 1 265 . 1 1 40 40 GLU HB3 H 1 2.329 . . 2 . . . . . 193 GLU HB3 . 27550 1 266 . 1 1 40 40 GLU C C 13 177.989 . . 1 . . . . . 193 GLU C . 27550 1 267 . 1 1 40 40 GLU CA C 13 56.544 . . 1 . . . . . 193 GLU CA . 27550 1 268 . 1 1 40 40 GLU CB C 13 30.490 . . 1 . . . . . 193 GLU CB . 27550 1 269 . 1 1 40 40 GLU N N 15 111.481 . . 1 . . . . . 193 GLU N . 27550 1 270 . 1 1 41 41 ILE H H 1 7.094 . . 1 . . . . . 194 ILE H . 27550 1 271 . 1 1 41 41 ILE HA H 1 3.613 . . 1 . . . . . 194 ILE HA . 27550 1 272 . 1 1 41 41 ILE HB H 1 2.050 . . 1 . . . . . 194 ILE HB . 27550 1 273 . 1 1 41 41 ILE C C 13 172.557 . . 1 . . . . . 194 ILE C . 27550 1 274 . 1 1 41 41 ILE CA C 13 61.340 . . 1 . . . . . 194 ILE CA . 27550 1 275 . 1 1 41 41 ILE CB C 13 34.236 . . 1 . . . . . 194 ILE CB . 27550 1 276 . 1 1 41 41 ILE N N 15 120.468 . . 1 . . . . . 194 ILE N . 27550 1 277 . 1 1 42 42 ASP H H 1 6.299 . . 1 . . . . . 195 ASP H . 27550 1 278 . 1 1 42 42 ASP HA H 1 4.801 . . 1 . . . . . 195 ASP HA . 27550 1 279 . 1 1 42 42 ASP HB2 H 1 2.473 . . 2 . . . . . 195 ASP HB2 . 27550 1 280 . 1 1 42 42 ASP HB3 H 1 2.711 . . 2 . . . . . 195 ASP HB3 . 27550 1 281 . 1 1 42 42 ASP C C 13 176.344 . . 1 . . . . . 195 ASP C . 27550 1 282 . 1 1 42 42 ASP CA C 13 51.774 . . 1 . . . . . 195 ASP CA . 27550 1 283 . 1 1 42 42 ASP CB C 13 42.737 . . 1 . . . . . 195 ASP CB . 27550 1 284 . 1 1 42 42 ASP N N 15 123.506 . . 1 . . . . . 195 ASP N . 27550 1 285 . 1 1 43 43 ARG H H 1 8.642 . . 1 . . . . . 196 ARG H . 27550 1 286 . 1 1 43 43 ARG HA H 1 4.019 . . 1 . . . . . 196 ARG HA . 27550 1 287 . 1 1 43 43 ARG HB2 H 1 1.329 . . 2 . . . . . 196 ARG HB2 . 27550 1 288 . 1 1 43 43 ARG HB3 H 1 1.613 . . 2 . . . . . 196 ARG HB3 . 27550 1 289 . 1 1 43 43 ARG C C 13 173.876 . . 1 . . . . . 196 ARG C . 27550 1 290 . 1 1 43 43 ARG CA C 13 57.093 . . 1 . . . . . 196 ARG CA . 27550 1 291 . 1 1 43 43 ARG CB C 13 28.912 . . 1 . . . . . 196 ARG CB . 27550 1 292 . 1 1 43 43 ARG N N 15 125.009 . . 1 . . . . . 196 ARG N . 27550 1 293 . 1 1 44 44 TYR H H 1 8.519 . . 1 . . . . . 197 TYR H . 27550 1 294 . 1 1 44 44 TYR HA H 1 4.607 . . 1 . . . . . 197 TYR HA . 27550 1 295 . 1 1 44 44 TYR HB2 H 1 2.828 . . 2 . . . . . 197 TYR HB2 . 27550 1 296 . 1 1 44 44 TYR HB3 H 1 3.329 . . 2 . . . . . 197 TYR HB3 . 27550 1 297 . 1 1 44 44 TYR C C 13 175.599 . . 1 . . . . . 197 TYR C . 27550 1 298 . 1 1 44 44 TYR CA C 13 55.562 . . 1 . . . . . 197 TYR CA . 27550 1 299 . 1 1 44 44 TYR CB C 13 36.884 . . 1 . . . . . 197 TYR CB . 27550 1 300 . 1 1 44 44 TYR N N 15 118.505 . . 1 . . . . . 197 TYR N . 27550 1 301 . 1 1 45 45 SER H H 1 6.978 . . 1 . . . . . 198 SER H . 27550 1 302 . 1 1 45 45 SER HA H 1 3.908 . . 1 . . . . . 198 SER HA . 27550 1 303 . 1 1 45 45 SER HB2 H 1 3.616 . . 2 . . . . . 198 SER HB2 . 27550 1 304 . 1 1 45 45 SER HB3 H 1 4.257 . . 2 . . . . . 198 SER HB3 . 27550 1 305 . 1 1 45 45 SER C C 13 174.924 . . 1 . . . . . 198 SER C . 27550 1 306 . 1 1 45 45 SER CA C 13 59.178 . . 1 . . . . . 198 SER CA . 27550 1 307 . 1 1 45 45 SER CB C 13 62.941 . . 1 . . . . . 198 SER CB . 27550 1 308 . 1 1 45 45 SER N N 15 113.582 . . 1 . . . . . 198 SER N . 27550 1 309 . 1 1 46 46 ASP H H 1 8.672 . . 1 . . . . . 199 ASP H . 27550 1 310 . 1 1 46 46 ASP HA H 1 4.489 . . 1 . . . . . 199 ASP HA . 27550 1 311 . 1 1 46 46 ASP HB2 H 1 2.642 . . 2 . . . . . 199 ASP HB2 . 27550 1 312 . 1 1 46 46 ASP HB3 H 1 2.642 . . 2 . . . . . 199 ASP HB3 . 27550 1 313 . 1 1 46 46 ASP C C 13 176.649 . . 1 . . . . . 199 ASP C . 27550 1 314 . 1 1 46 46 ASP CA C 13 55.448 . . 1 . . . . . 199 ASP CA . 27550 1 315 . 1 1 46 46 ASP CB C 13 40.607 . . 1 . . . . . 199 ASP CB . 27550 1 316 . 1 1 46 46 ASP N N 15 124.011 . . 1 . . . . . 199 ASP N . 27550 1 317 . 1 1 47 47 ASN H H 1 8.828 . . 1 . . . . . 200 ASN H . 27550 1 318 . 1 1 47 47 ASN HA H 1 4.660 . . 1 . . . . . 200 ASN HA . 27550 1 319 . 1 1 47 47 ASN HB2 H 1 2.668 . . 2 . . . . . 200 ASN HB2 . 27550 1 320 . 1 1 47 47 ASN HB3 H 1 3.001 . . 2 . . . . . 200 ASN HB3 . 27550 1 321 . 1 1 47 47 ASN C C 13 175.083 . . 1 . . . . . 200 ASN C . 27550 1 322 . 1 1 47 47 ASN CA C 13 52.839 . . 1 . . . . . 200 ASN CA . 27550 1 323 . 1 1 47 47 ASN CB C 13 37.966 . . 1 . . . . . 200 ASN CB . 27550 1 324 . 1 1 47 47 ASN N N 15 120.519 . . 1 . . . . . 200 ASN N . 27550 1 325 . 1 1 48 48 LYS H H 1 8.799 . . 1 . . . . . 201 LYS H . 27550 1 326 . 1 1 48 48 LYS HA H 1 3.880 . . 1 . . . . . 201 LYS HA . 27550 1 327 . 1 1 48 48 LYS HB2 H 1 1.830 . . 2 . . . . . 201 LYS HB2 . 27550 1 328 . 1 1 48 48 LYS HB3 H 1 1.830 . . 2 . . . . . 201 LYS HB3 . 27550 1 329 . 1 1 48 48 LYS C C 13 178.813 . . 1 . . . . . 201 LYS C . 27550 1 330 . 1 1 48 48 LYS CA C 13 59.217 . . 1 . . . . . 201 LYS CA . 27550 1 331 . 1 1 48 48 LYS CB C 13 32.101 . . 1 . . . . . 201 LYS CB . 27550 1 332 . 1 1 48 48 LYS N N 15 126.560 . . 1 . . . . . 201 LYS N . 27550 1 333 . 1 1 49 49 GLN H H 1 8.036 . . 1 . . . . . 202 GLN H . 27550 1 334 . 1 1 49 49 GLN HA H 1 4.269 . . 1 . . . . . 202 GLN HA . 27550 1 335 . 1 1 49 49 GLN HB2 H 1 2.101 . . 2 . . . . . 202 GLN HB2 . 27550 1 336 . 1 1 49 49 GLN HB3 H 1 2.269 . . 2 . . . . . 202 GLN HB3 . 27550 1 337 . 1 1 49 49 GLN C C 13 177.436 . . 1 . . . . . 202 GLN C . 27550 1 338 . 1 1 49 49 GLN CA C 13 58.693 . . 1 . . . . . 202 GLN CA . 27550 1 339 . 1 1 49 49 GLN CB C 13 27.853 . . 1 . . . . . 202 GLN CB . 27550 1 340 . 1 1 49 49 GLN N N 15 119.009 . . 1 . . . . . 202 GLN N . 27550 1 341 . 1 1 50 50 ILE H H 1 7.863 . . 1 . . . . . 203 ILE H . 27550 1 342 . 1 1 50 50 ILE HA H 1 3.567 . . 1 . . . . . 203 ILE HA . 27550 1 343 . 1 1 50 50 ILE HB H 1 2.014 . . 1 . . . . . 203 ILE HB . 27550 1 344 . 1 1 50 50 ILE C C 13 178.675 . . 1 . . . . . 203 ILE C . 27550 1 345 . 1 1 50 50 ILE CA C 13 62.408 . . 1 . . . . . 203 ILE CA . 27550 1 346 . 1 1 50 50 ILE CB C 13 36.357 . . 1 . . . . . 203 ILE CB . 27550 1 347 . 1 1 50 50 ILE N N 15 119.525 . . 1 . . . . . 203 ILE N . 27550 1 348 . 1 1 51 51 LYS H H 1 8.408 . . 1 . . . . . 204 LYS H . 27550 1 349 . 1 1 51 51 LYS HA H 1 3.921 . . 1 . . . . . 204 LYS HA . 27550 1 350 . 1 1 51 51 LYS HB2 H 1 1.646 . . 2 . . . . . 204 LYS HB2 . 27550 1 351 . 1 1 51 51 LYS HB3 H 1 1.949 . . 2 . . . . . 204 LYS HB3 . 27550 1 352 . 1 1 51 51 LYS C C 13 177.440 . . 1 . . . . . 204 LYS C . 27550 1 353 . 1 1 51 51 LYS CA C 13 59.749 . . 1 . . . . . 204 LYS CA . 27550 1 354 . 1 1 51 51 LYS CB C 13 32.102 . . 1 . . . . . 204 LYS CB . 27550 1 355 . 1 1 51 51 LYS N N 15 123.497 . . 1 . . . . . 204 LYS N . 27550 1 356 . 1 1 52 52 ALA H H 1 7.518 . . 1 . . . . . 205 ALA H . 27550 1 357 . 1 1 52 52 ALA HA H 1 4.053 . . 1 . . . . . 205 ALA HA . 27550 1 358 . 1 1 52 52 ALA HB1 H 1 1.491 . . 1 . . . . . 205 ALA HB . 27550 1 359 . 1 1 52 52 ALA HB2 H 1 1.491 . . 1 . . . . . 205 ALA HB . 27550 1 360 . 1 1 52 52 ALA HB3 H 1 1.491 . . 1 . . . . . 205 ALA HB . 27550 1 361 . 1 1 52 52 ALA C C 13 178.743 . . 1 . . . . . 205 ALA C . 27550 1 362 . 1 1 52 52 ALA CA C 13 54.442 . . 1 . . . . . 205 ALA CA . 27550 1 363 . 1 1 52 52 ALA CB C 13 17.751 . . 1 . . . . . 205 ALA CB . 27550 1 364 . 1 1 52 52 ALA N N 15 119.525 . . 1 . . . . . 205 ALA N . 27550 1 365 . 1 1 53 53 LEU H H 1 7.792 . . 1 . . . . . 206 LEU H . 27550 1 366 . 1 1 53 53 LEU HA H 1 3.266 . . 1 . . . . . 206 LEU HA . 27550 1 367 . 1 1 53 53 LEU HB2 H 1 0.647 . . 2 . . . . . 206 LEU HB2 . 27550 1 368 . 1 1 53 53 LEU HB3 H 1 1.169 . . 2 . . . . . 206 LEU HB3 . 27550 1 369 . 1 1 53 53 LEU C C 13 180.096 . . 1 . . . . . 206 LEU C . 27550 1 370 . 1 1 53 53 LEU CA C 13 58.154 . . 1 . . . . . 206 LEU CA . 27550 1 371 . 1 1 53 53 LEU CB C 13 41.673 . . 1 . . . . . 206 LEU CB . 27550 1 372 . 1 1 53 53 LEU N N 15 118.537 . . 1 . . . . . 206 LEU N . 27550 1 373 . 1 1 54 54 THR H H 1 8.068 . . 1 . . . . . 207 THR H . 27550 1 374 . 1 1 54 54 THR HA H 1 3.409 . . 1 . . . . . 207 THR HA . 27550 1 375 . 1 1 54 54 THR HB H 1 3.771 . . 1 . . . . . 207 THR HB . 27550 1 376 . 1 1 54 54 THR C C 13 177.116 . . 1 . . . . . 207 THR C . 27550 1 377 . 1 1 54 54 THR CA C 13 66.593 . . 1 . . . . . 207 THR CA . 27550 1 378 . 1 1 54 54 THR CB C 13 67.722 . . 1 . . . . . 207 THR CB . 27550 1 379 . 1 1 54 54 THR N N 15 114.495 . . 1 . . . . . 207 THR N . 27550 1 380 . 1 1 55 55 GLN H H 1 8.274 . . 1 . . . . . 208 GLN H . 27550 1 381 . 1 1 55 55 GLN HA H 1 3.943 . . 1 . . . . . 208 GLN HA . 27550 1 382 . 1 1 55 55 GLN HB2 H 1 2.143 . . 2 . . . . . 208 GLN HB2 . 27550 1 383 . 1 1 55 55 GLN HB3 H 1 2.143 . . 2 . . . . . 208 GLN HB3 . 27550 1 384 . 1 1 55 55 GLN C C 13 177.605 . . 1 . . . . . 208 GLN C . 27550 1 385 . 1 1 55 55 GLN CA C 13 58.192 . . 1 . . . . . 208 GLN CA . 27550 1 386 . 1 1 55 55 GLN CB C 13 28.384 . . 1 . . . . . 208 GLN CB . 27550 1 387 . 1 1 55 55 GLN N N 15 118.508 . . 1 . . . . . 208 GLN N . 27550 1 388 . 1 1 56 56 GLN H H 1 7.560 . . 1 . . . . . 209 GLN H . 27550 1 389 . 1 1 56 56 GLN HA H 1 4.535 . . 1 . . . . . 209 GLN HA . 27550 1 390 . 1 1 56 56 GLN HB2 H 1 2.146 . . 2 . . . . . 209 GLN HB2 . 27550 1 391 . 1 1 56 56 GLN HB3 H 1 2.646 . . 2 . . . . . 209 GLN HB3 . 27550 1 392 . 1 1 56 56 GLN C C 13 175.550 . . 1 . . . . . 209 GLN C . 27550 1 393 . 1 1 56 56 GLN CA C 13 54.435 . . 1 . . . . . 209 GLN CA . 27550 1 394 . 1 1 56 56 GLN CB C 13 28.380 . . 1 . . . . . 209 GLN CB . 27550 1 395 . 1 1 56 56 GLN N N 15 114.517 . . 1 . . . . . 209 GLN N . 27550 1 396 . 1 1 57 57 ILE H H 1 7.029 . . 1 . . . . . 210 ILE H . 27550 1 397 . 1 1 57 57 ILE HA H 1 4.020 . . 1 . . . . . 210 ILE HA . 27550 1 398 . 1 1 57 57 ILE HB H 1 1.537 . . 1 . . . . . 210 ILE HB . 27550 1 399 . 1 1 57 57 ILE C C 13 177.216 . . 1 . . . . . 210 ILE C . 27550 1 400 . 1 1 57 57 ILE CA C 13 64.000 . . 1 . . . . . 210 ILE CA . 27550 1 401 . 1 1 57 57 ILE CB C 13 38.483 . . 1 . . . . . 210 ILE CB . 27550 1 402 . 1 1 57 57 ILE N N 15 121.979 . . 1 . . . . . 210 ILE N . 27550 1 403 . 1 1 58 58 THR H H 1 9.328 . . 1 . . . . . 211 THR H . 27550 1 404 . 1 1 58 58 THR HA H 1 4.601 . . 1 . . . . . 211 THR HA . 27550 1 405 . 1 1 58 58 THR HB H 1 4.221 . . 1 . . . . . 211 THR HB . 27550 1 406 . 1 1 58 58 THR C C 13 175.224 . . 1 . . . . . 211 THR C . 27550 1 407 . 1 1 58 58 THR CA C 13 60.811 . . 1 . . . . . 211 THR CA . 27550 1 408 . 1 1 58 58 THR CB C 13 69.851 . . 1 . . . . . 211 THR CB . 27550 1 409 . 1 1 58 58 THR N N 15 119.038 . . 1 . . . . . 211 THR N . 27550 1 410 . 1 1 59 59 LYS H H 1 7.558 . . 1 . . . . . 212 LYS H . 27550 1 411 . 1 1 59 59 LYS HA H 1 4.624 . . 1 . . . . . 212 LYS HA . 27550 1 412 . 1 1 59 59 LYS HB2 H 1 1.644 . . 2 . . . . . 212 LYS HB2 . 27550 1 413 . 1 1 59 59 LYS HB3 H 1 1.833 . . 2 . . . . . 212 LYS HB3 . 27550 1 414 . 1 1 59 59 LYS C C 13 172.707 . . 1 . . . . . 212 LYS C . 27550 1 415 . 1 1 59 59 LYS CA C 13 56.548 . . 1 . . . . . 212 LYS CA . 27550 1 416 . 1 1 59 59 LYS CB C 13 35.306 . . 1 . . . . . 212 LYS CB . 27550 1 417 . 1 1 59 59 LYS N N 15 123.530 . . 1 . . . . . 212 LYS N . 27550 1 418 . 1 1 61 61 THR H H 1 8.751 . . 1 . . . . . 214 THR H . 27550 1 419 . 1 1 61 61 THR HA H 1 5.176 . . 1 . . . . . 214 THR HA . 27550 1 420 . 1 1 61 61 THR HB H 1 3.614 . . 1 . . . . . 214 THR HB . 27550 1 421 . 1 1 61 61 THR C C 13 173.744 . . 1 . . . . . 214 THR C . 27550 1 422 . 1 1 61 61 THR CA C 13 59.214 . . 1 . . . . . 214 THR CA . 27550 1 423 . 1 1 61 61 THR CB C 13 70.911 . . 1 . . . . . 214 THR CB . 27550 1 424 . 1 1 61 61 THR N N 15 118.051 . . 1 . . . . . 214 THR N . 27550 1 425 . 1 1 62 62 VAL H H 1 8.711 . . 1 . . . . . 215 VAL H . 27550 1 426 . 1 1 62 62 VAL HA H 1 4.365 . . 1 . . . . . 215 VAL HA . 27550 1 427 . 1 1 62 62 VAL HB H 1 1.575 . . 1 . . . . . 215 VAL HB . 27550 1 428 . 1 1 62 62 VAL C C 13 175.552 . . 1 . . . . . 215 VAL C . 27550 1 429 . 1 1 62 62 VAL CA C 13 60.810 . . 1 . . . . . 215 VAL CA . 27550 1 430 . 1 1 62 62 VAL CB C 13 33.165 . . 1 . . . . . 215 VAL CB . 27550 1 431 . 1 1 62 62 VAL N N 15 123.042 . . 1 . . . . . 215 VAL N . 27550 1 432 . 1 1 63 63 ASN H H 1 9.353 . . 1 . . . . . 216 ASN H . 27550 1 433 . 1 1 63 63 ASN HA H 1 4.391 . . 1 . . . . . 216 ASN HA . 27550 1 434 . 1 1 63 63 ASN HB2 H 1 3.017 . . 2 . . . . . 216 ASN HB2 . 27550 1 435 . 1 1 63 63 ASN HB3 H 1 3.017 . . 2 . . . . . 216 ASN HB3 . 27550 1 436 . 1 1 63 63 ASN C C 13 175.883 . . 1 . . . . . 216 ASN C . 27550 1 437 . 1 1 63 63 ASN CA C 13 53.903 . . 1 . . . . . 216 ASN CA . 27550 1 438 . 1 1 63 63 ASN CB C 13 37.353 . . 1 . . . . . 216 ASN CB . 27550 1 439 . 1 1 63 63 ASN N N 15 124.515 . . 1 . . . . . 216 ASN N . 27550 1 440 . 1 1 64 64 GLY H H 1 8.565 . . 1 . . . . . 217 GLY H . 27550 1 441 . 1 1 64 64 GLY HA2 H 1 3.462 . . 2 . . . . . 217 GLY HA2 . 27550 1 442 . 1 1 64 64 GLY HA3 H 1 4.302 . . 2 . . . . . 217 GLY HA3 . 27550 1 443 . 1 1 64 64 GLY C C 13 174.048 . . 1 . . . . . 217 GLY C . 27550 1 444 . 1 1 64 64 GLY CA C 13 44.864 . . 1 . . . . . 217 GLY CA . 27550 1 445 . 1 1 64 64 GLY N N 15 103.542 . . 1 . . . . . 217 GLY N . 27550 1 446 . 1 1 65 65 THR H H 1 8.413 . . 1 . . . . . 218 THR H . 27550 1 447 . 1 1 65 65 THR HA H 1 4.311 . . 1 . . . . . 218 THR HA . 27550 1 448 . 1 1 65 65 THR HB H 1 4.484 . . 1 . . . . . 218 THR HB . 27550 1 449 . 1 1 65 65 THR C C 13 173.774 . . 1 . . . . . 218 THR C . 27550 1 450 . 1 1 65 65 THR CA C 13 62.937 . . 1 . . . . . 218 THR CA . 27550 1 451 . 1 1 65 65 THR CB C 13 69.254 . . 1 . . . . . 218 THR CB . 27550 1 452 . 1 1 65 65 THR N N 15 120.536 . . 1 . . . . . 218 THR N . 27550 1 453 . 1 1 66 66 VAL H H 1 9.049 . . 1 . . . . . 219 VAL H . 27550 1 454 . 1 1 66 66 VAL HA H 1 4.068 . . 1 . . . . . 219 VAL HA . 27550 1 455 . 1 1 66 66 VAL HB H 1 2.129 . . 1 . . . . . 219 VAL HB . 27550 1 456 . 1 1 66 66 VAL C C 13 176.072 . . 1 . . . . . 219 VAL C . 27550 1 457 . 1 1 66 66 VAL CA C 13 64.001 . . 1 . . . . . 219 VAL CA . 27550 1 458 . 1 1 66 66 VAL CB C 13 31.505 . . 1 . . . . . 219 VAL CB . 27550 1 459 . 1 1 66 66 VAL N N 15 130.000 . . 1 . . . . . 219 VAL N . 27550 1 460 . 1 1 67 67 TYR H H 1 9.217 . . 1 . . . . . 220 TYR H . 27550 1 461 . 1 1 67 67 TYR HA H 1 4.970 . . 1 . . . . . 220 TYR HA . 27550 1 462 . 1 1 67 67 TYR C C 13 175.661 . . 1 . . . . . 220 TYR C . 27550 1 463 . 1 1 67 67 TYR CA C 13 55.498 . . 1 . . . . . 220 TYR CA . 27550 1 464 . 1 1 67 67 TYR CB C 13 40.077 . . 1 . . . . . 220 TYR CB . 27550 1 465 . 1 1 67 67 TYR N N 15 131.528 . . 1 . . . . . 220 TYR N . 27550 1 466 . 1 1 70 70 LEU H H 1 8.678 . . 1 . . . . . 223 LEU H . 27550 1 467 . 1 1 70 70 LEU HA H 1 4.239 . . 1 . . . . . 223 LEU HA . 27550 1 468 . 1 1 70 70 LEU C C 13 178.648 . . 1 . . . . . 223 LEU C . 27550 1 469 . 1 1 70 70 LEU CA C 13 53.901 . . 1 . . . . . 223 LEU CA . 27550 1 470 . 1 1 70 70 LEU CB C 13 40.603 . . 1 . . . . . 223 LEU CB . 27550 1 471 . 1 1 70 70 LEU N N 15 127.504 . . 1 . . . . . 223 LEU N . 27550 1 472 . 1 1 71 71 ILE H H 1 8.805 . . 1 . . . . . 224 ILE H . 27550 1 473 . 1 1 71 71 ILE HA H 1 3.369 . . 1 . . . . . 224 ILE HA . 27550 1 474 . 1 1 71 71 ILE HB H 1 2.474 . . 1 . . . . . 224 ILE HB . 27550 1 475 . 1 1 71 71 ILE C C 13 174.811 . . 1 . . . . . 224 ILE C . 27550 1 476 . 1 1 71 71 ILE CA C 13 65.597 . . 1 . . . . . 224 ILE CA . 27550 1 477 . 1 1 71 71 ILE CB C 13 33.700 . . 1 . . . . . 224 ILE CB . 27550 1 478 . 1 1 71 71 ILE N N 15 118.006 . . 1 . . . . . 224 ILE N . 27550 1 479 . 1 1 72 72 SER H H 1 8.531 . . 1 . . . . . 225 SER H . 27550 1 480 . 1 1 72 72 SER HA H 1 4.575 . . 1 . . . . . 225 SER HA . 27550 1 481 . 1 1 72 72 SER HB2 H 1 3.767 . . 2 . . . . . 225 SER HB2 . 27550 1 482 . 1 1 72 72 SER HB3 H 1 3.958 . . 2 . . . . . 225 SER HB3 . 27550 1 483 . 1 1 72 72 SER C C 13 173.309 . . 1 . . . . . 225 SER C . 27550 1 484 . 1 1 72 72 SER CA C 13 57.092 . . 1 . . . . . 225 SER CA . 27550 1 485 . 1 1 72 72 SER CB C 13 64.499 . . 1 . . . . . 225 SER CB . 27550 1 486 . 1 1 72 72 SER N N 15 117.048 . . 1 . . . . . 225 SER N . 27550 1 487 . 1 1 73 73 ASP H H 1 7.455 . . 1 . . . . . 226 ASP H . 27550 1 488 . 1 1 73 73 ASP HA H 1 4.564 . . 1 . . . . . 226 ASP HA . 27550 1 489 . 1 1 73 73 ASP HB2 H 1 2.581 . . 2 . . . . . 226 ASP HB2 . 27550 1 490 . 1 1 73 73 ASP HB3 H 1 2.676 . . 2 . . . . . 226 ASP HB3 . 27550 1 491 . 1 1 73 73 ASP C C 13 174.725 . . 1 . . . . . 226 ASP C . 27550 1 492 . 1 1 73 73 ASP CA C 13 53.840 . . 1 . . . . . 226 ASP CA . 27550 1 493 . 1 1 73 73 ASP CB C 13 41.674 . . 1 . . . . . 226 ASP CB . 27550 1 494 . 1 1 73 73 ASP N N 15 123.421 . . 1 . . . . . 226 ASP N . 27550 1 495 . 1 1 74 74 SER H H 1 8.149 . . 1 . . . . . 227 SER H . 27550 1 496 . 1 1 74 74 SER HA H 1 4.193 . . 1 . . . . . 227 SER HA . 27550 1 497 . 1 1 74 74 SER HB2 H 1 3.617 . . 2 . . . . . 227 SER HB2 . 27550 1 498 . 1 1 74 74 SER HB3 H 1 3.864 . . 2 . . . . . 227 SER HB3 . 27550 1 499 . 1 1 74 74 SER C C 13 175.961 . . 1 . . . . . 227 SER C . 27550 1 500 . 1 1 74 74 SER CA C 13 57.560 . . 1 . . . . . 227 SER CA . 27550 1 501 . 1 1 74 74 SER CB C 13 62.940 . . 1 . . . . . 227 SER CB . 27550 1 502 . 1 1 74 74 SER N N 15 110.962 . . 1 . . . . . 227 SER N . 27550 1 503 . 1 1 75 75 VAL H H 1 8.058 . . 1 . . . . . 228 VAL H . 27550 1 504 . 1 1 75 75 VAL HA H 1 4.411 . . 1 . . . . . 228 VAL HA . 27550 1 505 . 1 1 75 75 VAL HB H 1 2.256 . . 1 . . . . . 228 VAL HB . 27550 1 506 . 1 1 75 75 VAL C C 13 177.132 . . 1 . . . . . 228 VAL C . 27550 1 507 . 1 1 75 75 VAL CA C 13 59.218 . . 1 . . . . . 228 VAL CA . 27550 1 508 . 1 1 75 75 VAL CB C 13 31.059 . . 1 . . . . . 228 VAL CB . 27550 1 509 . 1 1 75 75 VAL N N 15 116.498 . . 1 . . . . . 228 VAL N . 27550 1 510 . 1 1 76 76 LYS H H 1 7.560 . . 1 . . . . . 229 LYS H . 27550 1 511 . 1 1 76 76 LYS HA H 1 3.914 . . 1 . . . . . 229 LYS HA . 27550 1 512 . 1 1 76 76 LYS HB2 H 1 1.517 . . 2 . . . . . 229 LYS HB2 . 27550 1 513 . 1 1 76 76 LYS HB3 H 1 1.706 . . 2 . . . . . 229 LYS HB3 . 27550 1 514 . 1 1 76 76 LYS C C 13 176.888 . . 1 . . . . . 229 LYS C . 27550 1 515 . 1 1 76 76 LYS CA C 13 57.091 . . 1 . . . . . 229 LYS CA . 27550 1 516 . 1 1 76 76 LYS CB C 13 32.110 . . 1 . . . . . 229 LYS CB . 27550 1 517 . 1 1 76 76 LYS N N 15 125.553 . . 1 . . . . . 229 LYS N . 27550 1 518 . 1 1 77 77 ASP H H 1 10.052 . . 1 . . . . . 230 ASP H . 27550 1 519 . 1 1 77 77 ASP HA H 1 4.352 . . 1 . . . . . 230 ASP HA . 27550 1 520 . 1 1 77 77 ASP HB2 H 1 2.769 . . 2 . . . . . 230 ASP HB2 . 27550 1 521 . 1 1 77 77 ASP HB3 H 1 2.927 . . 2 . . . . . 230 ASP HB3 . 27550 1 522 . 1 1 77 77 ASP C C 13 174.734 . . 1 . . . . . 230 ASP C . 27550 1 523 . 1 1 77 77 ASP CA C 13 55.497 . . 1 . . . . . 230 ASP CA . 27550 1 524 . 1 1 77 77 ASP CB C 13 38.999 . . 1 . . . . . 230 ASP CB . 27550 1 525 . 1 1 77 77 ASP N N 15 122.535 . . 1 . . . . . 230 ASP N . 27550 1 526 . 1 1 78 78 THR H H 1 7.644 . . 1 . . . . . 231 THR H . 27550 1 527 . 1 1 78 78 THR HA H 1 4.672 . . 1 . . . . . 231 THR HA . 27550 1 528 . 1 1 78 78 THR HB H 1 3.962 . . 1 . . . . . 231 THR HB . 27550 1 529 . 1 1 78 78 THR C C 13 175.486 . . 1 . . . . . 231 THR C . 27550 1 530 . 1 1 78 78 THR CA C 13 60.810 . . 1 . . . . . 231 THR CA . 27550 1 531 . 1 1 78 78 THR CB C 13 72.510 . . 1 . . . . . 231 THR CB . 27550 1 532 . 1 1 78 78 THR N N 15 105.999 . . 1 . . . . . 231 THR N . 27550 1 533 . 1 1 79 79 ASN H H 1 8.255 . . 1 . . . . . 232 ASN H . 27550 1 534 . 1 1 79 79 ASN HA H 1 4.018 . . 1 . . . . . 232 ASN HA . 27550 1 535 . 1 1 79 79 ASN HB2 H 1 2.334 . . 2 . . . . . 232 ASN HB2 . 27550 1 536 . 1 1 79 79 ASN HB3 H 1 2.334 . . 2 . . . . . 232 ASN HB3 . 27550 1 537 . 1 1 79 79 ASN C C 13 174.734 . . 1 . . . . . 232 ASN C . 27550 1 538 . 1 1 79 79 ASN CA C 13 50.179 . . 1 . . . . . 232 ASN CA . 27550 1 539 . 1 1 79 79 ASN CB C 13 36.890 . . 1 . . . . . 232 ASN CB . 27550 1 540 . 1 1 79 79 ASN N N 15 121.043 . . 1 . . . . . 232 ASN N . 27550 1 541 . 1 1 80 80 GLY H H 1 7.163 . . 1 . . . . . 233 GLY H . 27550 1 542 . 1 1 80 80 GLY HA2 H 1 3.500 . . 2 . . . . . 233 GLY HA2 . 27550 1 543 . 1 1 80 80 GLY HA3 H 1 5.503 . . 2 . . . . . 233 GLY HA3 . 27550 1 544 . 1 1 80 80 GLY C C 13 171.066 . . 1 . . . . . 233 GLY C . 27550 1 545 . 1 1 80 80 GLY CA C 13 43.734 . . 1 . . . . . 233 GLY CA . 27550 1 546 . 1 1 80 80 GLY N N 15 107.977 . . 1 . . . . . 233 GLY N . 27550 1 547 . 1 1 81 81 TRP H H 1 8.934 . . 1 . . . . . 234 TRP H . 27550 1 548 . 1 1 81 81 TRP HA H 1 6.177 . . 1 . . . . . 234 TRP HA . 27550 1 549 . 1 1 81 81 TRP HB2 H 1 3.111 . . 2 . . . . . 234 TRP HB2 . 27550 1 550 . 1 1 81 81 TRP HB3 H 1 3.615 . . 2 . . . . . 234 TRP HB3 . 27550 1 551 . 1 1 81 81 TRP C C 13 173.446 . . 1 . . . . . 234 TRP C . 27550 1 552 . 1 1 81 81 TRP CA C 13 53.903 . . 1 . . . . . 234 TRP CA . 27550 1 553 . 1 1 81 81 TRP CB C 13 33.887 . . 1 . . . . . 234 TRP CB . 27550 1 554 . 1 1 81 81 TRP N N 15 119.083 . . 1 . . . . . 234 TRP N . 27550 1 555 . 1 1 82 82 VAL H H 1 9.007 . . 1 . . . . . 235 VAL H . 27550 1 556 . 1 1 82 82 VAL HA H 1 4.503 . . 1 . . . . . 235 VAL HA . 27550 1 557 . 1 1 82 82 VAL HB H 1 1.834 . . 1 . . . . . 235 VAL HB . 27550 1 558 . 1 1 82 82 VAL C C 13 175.257 . . 1 . . . . . 235 VAL C . 27550 1 559 . 1 1 82 82 VAL CA C 13 60.812 . . 1 . . . . . 235 VAL CA . 27550 1 560 . 1 1 82 82 VAL CB C 13 37.419 . . 1 . . . . . 235 VAL CB . 27550 1 561 . 1 1 82 82 VAL N N 15 114.501 . . 1 . . . . . 235 VAL N . 27550 1 562 . 1 1 83 83 SER H H 1 9.217 . . 1 . . . . . 236 SER H . 27550 1 563 . 1 1 83 83 SER HA H 1 5.571 . . 1 . . . . . 236 SER HA . 27550 1 564 . 1 1 83 83 SER HB2 H 1 3.958 . . 2 . . . . . 236 SER HB2 . 27550 1 565 . 1 1 83 83 SER HB3 H 1 3.958 . . 2 . . . . . 236 SER HB3 . 27550 1 566 . 1 1 83 83 SER C C 13 174.099 . . 1 . . . . . 236 SER C . 27550 1 567 . 1 1 83 83 SER CA C 13 55.489 . . 1 . . . . . 236 SER CA . 27550 1 568 . 1 1 83 83 SER CB C 13 63.471 . . 1 . . . . . 236 SER CB . 27550 1 569 . 1 1 83 83 SER N N 15 121.615 . . 1 . . . . . 236 SER N . 27550 1 570 . 1 1 84 84 ASN H H 1 9.129 . . 1 . . . . . 237 ASN H . 27550 1 571 . 1 1 84 84 ASN HA H 1 5.096 . . 1 . . . . . 237 ASN HA . 27550 1 572 . 1 1 84 84 ASN HB2 H 1 2.990 . . 2 . . . . . 237 ASN HB2 . 27550 1 573 . 1 1 84 84 ASN HB3 H 1 3.612 . . 2 . . . . . 237 ASN HB3 . 27550 1 574 . 1 1 84 84 ASN C C 13 177.080 . . 1 . . . . . 237 ASN C . 27550 1 575 . 1 1 84 84 ASN CA C 13 51.774 . . 1 . . . . . 237 ASN CA . 27550 1 576 . 1 1 84 84 ASN CB C 13 38.484 . . 1 . . . . . 237 ASN CB . 27550 1 577 . 1 1 84 84 ASN N N 15 126.979 . . 1 . . . . . 237 ASN N . 27550 1 578 . 1 1 86 86 THR H H 1 8.095 . . 1 . . . . . 239 THR H . 27550 1 579 . 1 1 86 86 THR HA H 1 4.505 . . 1 . . . . . 239 THR HA . 27550 1 580 . 1 1 86 86 THR C C 13 173.384 . . 1 . . . . . 239 THR C . 27550 1 581 . 1 1 86 86 THR CA C 13 60.813 . . 1 . . . . . 239 THR CA . 27550 1 582 . 1 1 86 86 THR CB C 13 68.796 . . 1 . . . . . 239 THR CB . 27550 1 583 . 1 1 86 86 THR N N 15 106.123 . . 1 . . . . . 239 THR N . 27550 1 584 . 1 1 87 87 GLY H H 1 7.582 . . 1 . . . . . 240 GLY H . 27550 1 585 . 1 1 87 87 GLY HA2 H 1 3.746 . . 2 . . . . . 240 GLY HA2 . 27550 1 586 . 1 1 87 87 GLY HA3 H 1 4.512 . . 2 . . . . . 240 GLY HA3 . 27550 1 587 . 1 1 87 87 GLY C C 13 171.480 . . 1 . . . . . 240 GLY C . 27550 1 588 . 1 1 87 87 GLY CA C 13 44.332 . . 1 . . . . . 240 GLY CA . 27550 1 589 . 1 1 87 87 GLY N N 15 107.019 . . 1 . . . . . 240 GLY N . 27550 1 590 . 1 1 88 88 LEU H H 1 7.274 . . 1 . . . . . 241 LEU H . 27550 1 591 . 1 1 88 88 LEU HA H 1 5.302 . . 1 . . . . . 241 LEU HA . 27550 1 592 . 1 1 88 88 LEU HB2 H 1 1.569 . . 2 . . . . . 241 LEU HB2 . 27550 1 593 . 1 1 88 88 LEU HB3 H 1 2.137 . . 2 . . . . . 241 LEU HB3 . 27550 1 594 . 1 1 88 88 LEU C C 13 175.140 . . 1 . . . . . 241 LEU C . 27550 1 595 . 1 1 88 88 LEU CA C 13 53.885 . . 1 . . . . . 241 LEU CA . 27550 1 596 . 1 1 88 88 LEU CB C 13 43.267 . . 1 . . . . . 241 LEU CB . 27550 1 597 . 1 1 88 88 LEU N N 15 122.536 . . 1 . . . . . 241 LEU N . 27550 1 598 . 1 1 89 89 HIS H H 1 9.900 . . 1 . . . . . 242 HIS H . 27550 1 599 . 1 1 89 89 HIS HA H 1 5.522 . . 1 . . . . . 242 HIS HA . 27550 1 600 . 1 1 89 89 HIS HB2 H 1 2.869 . . 2 . . . . . 242 HIS HB2 . 27550 1 601 . 1 1 89 89 HIS HB3 H 1 3.255 . . 2 . . . . . 242 HIS HB3 . 27550 1 602 . 1 1 89 89 HIS C C 13 174.546 . . 1 . . . . . 242 HIS C . 27550 1 603 . 1 1 89 89 HIS CA C 13 53.369 . . 1 . . . . . 242 HIS CA . 27550 1 604 . 1 1 89 89 HIS CB C 13 29.977 . . 1 . . . . . 242 HIS CB . 27550 1 605 . 1 1 89 89 HIS N N 15 127.005 . . 1 . . . . . 242 HIS N . 27550 1 606 . 1 1 90 90 LEU H H 1 9.675 . . 1 . . . . . 243 LEU H . 27550 1 607 . 1 1 90 90 LEU HA H 1 5.529 . . 1 . . . . . 243 LEU HA . 27550 1 608 . 1 1 90 90 LEU CA C 13 53.927 . . 1 . . . . . 243 LEU CA . 27550 1 609 . 1 1 90 90 LEU CB C 13 45.346 . . 1 . . . . . 243 LEU CB . 27550 1 610 . 1 1 90 90 LEU N N 15 122.946 . . 1 . . . . . 243 LEU N . 27550 1 611 . 1 1 92 92 THR H H 1 7.960 . . 1 . . . . . 245 THR H . 27550 1 612 . 1 1 92 92 THR HA H 1 4.565 . . 1 . . . . . 245 THR HA . 27550 1 613 . 1 1 92 92 THR HB H 1 4.290 . . 1 . . . . . 245 THR HB . 27550 1 614 . 1 1 92 92 THR C C 13 176.783 . . 1 . . . . . 245 THR C . 27550 1 615 . 1 1 92 92 THR CA C 13 60.280 . . 1 . . . . . 245 THR CA . 27550 1 616 . 1 1 92 92 THR CB C 13 66.136 . . 1 . . . . . 245 THR CB . 27550 1 617 . 1 1 92 92 THR N N 15 108.562 . . 1 . . . . . 245 THR N . 27550 1 618 . 1 1 93 93 LYS H H 1 7.139 . . 1 . . . . . 246 LYS H . 27550 1 619 . 1 1 93 93 LYS HA H 1 3.956 . . 1 . . . . . 246 LYS HA . 27550 1 620 . 1 1 93 93 LYS HB2 H 1 1.068 . . 2 . . . . . 246 LYS HB2 . 27550 1 621 . 1 1 93 93 LYS HB3 H 1 1.710 . . 2 . . . . . 246 LYS HB3 . 27550 1 622 . 1 1 93 93 LYS C C 13 177.354 . . 1 . . . . . 246 LYS C . 27550 1 623 . 1 1 93 93 LYS CA C 13 60.279 . . 1 . . . . . 246 LYS CA . 27550 1 624 . 1 1 93 93 LYS CB C 13 32.103 . . 1 . . . . . 246 LYS CB . 27550 1 625 . 1 1 93 93 LYS N N 15 123.178 . . 1 . . . . . 246 LYS N . 27550 1 626 . 1 1 94 94 ALA H H 1 7.414 . . 1 . . . . . 247 ALA H . 27550 1 627 . 1 1 94 94 ALA HA H 1 4.691 . . 1 . . . . . 247 ALA HA . 27550 1 628 . 1 1 94 94 ALA HB1 H 1 1.761 . . 1 . . . . . 247 ALA HB . 27550 1 629 . 1 1 94 94 ALA HB2 H 1 1.761 . . 1 . . . . . 247 ALA HB . 27550 1 630 . 1 1 94 94 ALA HB3 H 1 1.761 . . 1 . . . . . 247 ALA HB . 27550 1 631 . 1 1 94 94 ALA C C 13 177.799 . . 1 . . . . . 247 ALA C . 27550 1 632 . 1 1 94 94 ALA CA C 13 52.298 . . 1 . . . . . 247 ALA CA . 27550 1 633 . 1 1 94 94 ALA CB C 13 19.347 . . 1 . . . . . 247 ALA CB . 27550 1 634 . 1 1 94 94 ALA N N 15 114.058 . . 1 . . . . . 247 ALA N . 27550 1 635 . 1 1 95 95 PHE H H 1 7.799 . . 1 . . . . . 248 PHE H . 27550 1 636 . 1 1 95 95 PHE HA H 1 4.271 . . 1 . . . . . 248 PHE HA . 27550 1 637 . 1 1 95 95 PHE HB2 H 1 2.519 . . 2 . . . . . 248 PHE HB2 . 27550 1 638 . 1 1 95 95 PHE HB3 H 1 3.501 . . 2 . . . . . 248 PHE HB3 . 27550 1 639 . 1 1 95 95 PHE C C 13 175.012 . . 1 . . . . . 248 PHE C . 27550 1 640 . 1 1 95 95 PHE CA C 13 58.152 . . 1 . . . . . 248 PHE CA . 27550 1 641 . 1 1 95 95 PHE CB C 13 38.976 . . 1 . . . . . 248 PHE CB . 27550 1 642 . 1 1 95 95 PHE N N 15 120.011 . . 1 . . . . . 248 PHE N . 27550 1 643 . 1 1 96 96 LYS H H 1 9.452 . . 1 . . . . . 249 LYS H . 27550 1 644 . 1 1 96 96 LYS HA H 1 4.817 . . 1 . . . . . 249 LYS HA . 27550 1 645 . 1 1 96 96 LYS HB2 H 1 1.806 . . 2 . . . . . 249 LYS HB2 . 27550 1 646 . 1 1 96 96 LYS HB3 H 1 1.806 . . 2 . . . . . 249 LYS HB3 . 27550 1 647 . 1 1 96 96 LYS C C 13 175.330 . . 1 . . . . . 249 LYS C . 27550 1 648 . 1 1 96 96 LYS CA C 13 53.366 . . 1 . . . . . 249 LYS CA . 27550 1 649 . 1 1 96 96 LYS CB C 13 35.302 . . 1 . . . . . 249 LYS CB . 27550 1 650 . 1 1 96 96 LYS N N 15 121.065 . . 1 . . . . . 249 LYS N . 27550 1 651 . 1 1 97 97 ASP H H 1 8.436 . . 1 . . . . . 250 ASP H . 27550 1 652 . 1 1 97 97 ASP HA H 1 4.507 . . 1 . . . . . 250 ASP HA . 27550 1 653 . 1 1 97 97 ASP HB2 H 1 2.579 . . 2 . . . . . 250 ASP HB2 . 27550 1 654 . 1 1 97 97 ASP HB3 H 1 2.579 . . 2 . . . . . 250 ASP HB3 . 27550 1 655 . 1 1 97 97 ASP C C 13 177.084 . . 1 . . . . . 250 ASP C . 27550 1 656 . 1 1 97 97 ASP CA C 13 55.505 . . 1 . . . . . 250 ASP CA . 27550 1 657 . 1 1 97 97 ASP CB C 13 40.539 . . 1 . . . . . 250 ASP CB . 27550 1 658 . 1 1 97 97 ASP N N 15 120.484 . . 1 . . . . . 250 ASP N . 27550 1 659 . 1 1 98 98 GLY H H 1 9.376 . . 1 . . . . . 251 GLY H . 27550 1 660 . 1 1 98 98 GLY HA2 H 1 3.642 . . 2 . . . . . 251 GLY HA2 . 27550 1 661 . 1 1 98 98 GLY HA3 H 1 4.335 . . 2 . . . . . 251 GLY HA3 . 27550 1 662 . 1 1 98 98 GLY C C 13 173.987 . . 1 . . . . . 251 GLY C . 27550 1 663 . 1 1 98 98 GLY CA C 13 43.800 . . 1 . . . . . 251 GLY CA . 27550 1 664 . 1 1 98 98 GLY N N 15 111.124 . . 1 . . . . . 251 GLY N . 27550 1 665 . 1 1 99 99 GLU H H 1 8.726 . . 1 . . . . . 252 GLU H . 27550 1 666 . 1 1 99 99 GLU HA H 1 4.319 . . 1 . . . . . 252 GLU HA . 27550 1 667 . 1 1 99 99 GLU HB2 H 1 1.894 . . 2 . . . . . 252 GLU HB2 . 27550 1 668 . 1 1 99 99 GLU HB3 H 1 1.894 . . 2 . . . . . 252 GLU HB3 . 27550 1 669 . 1 1 99 99 GLU C C 13 175.992 . . 1 . . . . . 252 GLU C . 27550 1 670 . 1 1 99 99 GLU CA C 13 57.620 . . 1 . . . . . 252 GLU CA . 27550 1 671 . 1 1 99 99 GLU CB C 13 29.982 . . 1 . . . . . 252 GLU CB . 27550 1 672 . 1 1 99 99 GLU N N 15 124.021 . . 1 . . . . . 252 GLU N . 27550 1 673 . 1 1 100 100 ASN H H 1 9.063 . . 1 . . . . . 253 ASN H . 27550 1 674 . 1 1 100 100 ASN HA H 1 5.333 . . 1 . . . . . 253 ASN HA . 27550 1 675 . 1 1 100 100 ASN HB2 H 1 1.614 . . 2 . . . . . 253 ASN HB2 . 27550 1 676 . 1 1 100 100 ASN HB3 H 1 2.510 . . 2 . . . . . 253 ASN HB3 . 27550 1 677 . 1 1 100 100 ASN C C 13 173.419 . . 1 . . . . . 253 ASN C . 27550 1 678 . 1 1 100 100 ASN CA C 13 51.779 . . 1 . . . . . 253 ASN CA . 27550 1 679 . 1 1 100 100 ASN CB C 13 42.733 . . 1 . . . . . 253 ASN CB . 27550 1 680 . 1 1 100 100 ASN N N 15 121.016 . . 1 . . . . . 253 ASN N . 27550 1 681 . 1 1 101 101 THR H H 1 8.154 . . 1 . . . . . 254 THR H . 27550 1 682 . 1 1 101 101 THR HA H 1 4.723 . . 1 . . . . . 254 THR HA . 27550 1 683 . 1 1 101 101 THR HB H 1 3.755 . . 1 . . . . . 254 THR HB . 27550 1 684 . 1 1 101 101 THR C C 13 173.253 . . 1 . . . . . 254 THR C . 27550 1 685 . 1 1 101 101 THR CA C 13 61.344 . . 1 . . . . . 254 THR CA . 27550 1 686 . 1 1 101 101 THR CB C 13 69.849 . . 1 . . . . . 254 THR CB . 27550 1 687 . 1 1 101 101 THR N N 15 116.012 . . 1 . . . . . 254 THR N . 27550 1 688 . 1 1 102 102 ILE H H 1 9.587 . . 1 . . . . . 255 ILE H . 27550 1 689 . 1 1 102 102 ILE HA H 1 4.803 . . 1 . . . . . 255 ILE HA . 27550 1 690 . 1 1 102 102 ILE HB H 1 1.793 . . 1 . . . . . 255 ILE HB . 27550 1 691 . 1 1 102 102 ILE C C 13 174.118 . . 1 . . . . . 255 ILE C . 27550 1 692 . 1 1 102 102 ILE CA C 13 59.216 . . 1 . . . . . 255 ILE CA . 27550 1 693 . 1 1 102 102 ILE CB C 13 40.092 . . 1 . . . . . 255 ILE CB . 27550 1 694 . 1 1 102 102 ILE N N 15 132.000 . . 1 . . . . . 255 ILE N . 27550 1 695 . 1 1 103 103 VAL H H 1 9.095 . . 1 . . . . . 256 VAL H . 27550 1 696 . 1 1 103 103 VAL HA H 1 5.053 . . 1 . . . . . 256 VAL HA . 27550 1 697 . 1 1 103 103 VAL HB H 1 1.876 . . 1 . . . . . 256 VAL HB . 27550 1 698 . 1 1 103 103 VAL C C 13 176.216 . . 1 . . . . . 256 VAL C . 27550 1 699 . 1 1 103 103 VAL CA C 13 60.810 . . 1 . . . . . 256 VAL CA . 27550 1 700 . 1 1 103 103 VAL CB C 13 32.123 . . 1 . . . . . 256 VAL CB . 27550 1 701 . 1 1 103 103 VAL N N 15 127.048 . . 1 . . . . . 256 VAL N . 27550 1 702 . 1 1 104 104 ILE H H 1 9.395 . . 1 . . . . . 257 ILE H . 27550 1 703 . 1 1 104 104 ILE HA H 1 4.395 . . 1 . . . . . 257 ILE HA . 27550 1 704 . 1 1 104 104 ILE HB H 1 1.482 . . 1 . . . . . 257 ILE HB . 27550 1 705 . 1 1 104 104 ILE C C 13 175.282 . . 1 . . . . . 257 ILE C . 27550 1 706 . 1 1 104 104 ILE CA C 13 60.280 . . 1 . . . . . 257 ILE CA . 27550 1 707 . 1 1 104 104 ILE CB C 13 40.077 . . 1 . . . . . 257 ILE CB . 27550 1 708 . 1 1 104 104 ILE N N 15 129.477 . . 1 . . . . . 257 ILE N . 27550 1 709 . 1 1 105 105 SER H H 1 9.156 . . 1 . . . . . 258 SER H . 27550 1 710 . 1 1 105 105 SER HA H 1 5.130 . . 1 . . . . . 258 SER HA . 27550 1 711 . 1 1 105 105 SER HB2 H 1 3.566 . . 2 . . . . . 258 SER HB2 . 27550 1 712 . 1 1 105 105 SER HB3 H 1 3.837 . . 2 . . . . . 258 SER HB3 . 27550 1 713 . 1 1 105 105 SER C C 13 172.933 . . 1 . . . . . 258 SER C . 27550 1 714 . 1 1 105 105 SER CA C 13 56.559 . . 1 . . . . . 258 SER CA . 27550 1 715 . 1 1 105 105 SER CB C 13 64.003 . . 1 . . . . . 258 SER CB . 27550 1 716 . 1 1 105 105 SER N N 15 124.990 . . 1 . . . . . 258 SER N . 27550 1 717 . 1 1 106 106 SER H H 1 9.330 . . 1 . . . . . 259 SER H . 27550 1 718 . 1 1 106 106 SER HA H 1 4.973 . . 1 . . . . . 259 SER HA . 27550 1 719 . 1 1 106 106 SER HB2 H 1 3.394 . . 2 . . . . . 259 SER HB2 . 27550 1 720 . 1 1 106 106 SER HB3 H 1 3.394 . . 2 . . . . . 259 SER HB3 . 27550 1 721 . 1 1 106 106 SER C C 13 174.320 . . 1 . . . . . 259 SER C . 27550 1 722 . 1 1 106 106 SER CA C 13 56.556 . . 1 . . . . . 259 SER CA . 27550 1 723 . 1 1 106 106 SER CB C 13 64.528 . . 1 . . . . . 259 SER CB . 27550 1 724 . 1 1 106 106 SER N N 15 121.036 . . 1 . . . . . 259 SER N . 27550 1 725 . 1 1 107 107 LYS H H 1 7.947 . . 1 . . . . . 260 LYS H . 27550 1 726 . 1 1 107 107 LYS HA H 1 4.097 . . 1 . . . . . 260 LYS HA . 27550 1 727 . 1 1 107 107 LYS HB2 H 1 1.872 . . 2 . . . . . 260 LYS HB2 . 27550 1 728 . 1 1 107 107 LYS HB3 H 1 1.872 . . 2 . . . . . 260 LYS HB3 . 27550 1 729 . 1 1 107 107 LYS C C 13 176.784 . . 1 . . . . . 260 LYS C . 27550 1 730 . 1 1 107 107 LYS CA C 13 58.154 . . 1 . . . . . 260 LYS CA . 27550 1 731 . 1 1 107 107 LYS CB C 13 32.106 . . 1 . . . . . 260 LYS CB . 27550 1 732 . 1 1 107 107 LYS N N 15 126.501 . . 1 . . . . . 260 LYS N . 27550 1 733 . 1 1 108 108 GLY H H 1 8.616 . . 1 . . . . . 261 GLY H . 27550 1 734 . 1 1 108 108 GLY HA2 H 1 3.554 . . 2 . . . . . 261 GLY HA2 . 27550 1 735 . 1 1 108 108 GLY HA3 H 1 3.848 . . 2 . . . . . 261 GLY HA3 . 27550 1 736 . 1 1 108 108 GLY C C 13 173.715 . . 1 . . . . . 261 GLY C . 27550 1 737 . 1 1 108 108 GLY CA C 13 44.333 . . 1 . . . . . 261 GLY CA . 27550 1 738 . 1 1 108 108 GLY N N 15 111.001 . . 1 . . . . . 261 GLY N . 27550 1 739 . 1 1 109 109 PHE H H 1 8.051 . . 1 . . . . . 262 PHE H . 27550 1 740 . 1 1 109 109 PHE HA H 1 4.868 . . 1 . . . . . 262 PHE HA . 27550 1 741 . 1 1 109 109 PHE HB2 H 1 2.722 . . 2 . . . . . 262 PHE HB2 . 27550 1 742 . 1 1 109 109 PHE HB3 H 1 2.911 . . 2 . . . . . 262 PHE HB3 . 27550 1 743 . 1 1 109 109 PHE C C 13 176.292 . . 1 . . . . . 262 PHE C . 27550 1 744 . 1 1 109 109 PHE CA C 13 56.550 . . 1 . . . . . 262 PHE CA . 27550 1 745 . 1 1 109 109 PHE CB C 13 42.206 . . 1 . . . . . 262 PHE CB . 27550 1 746 . 1 1 109 109 PHE N N 15 118.478 . . 1 . . . . . 262 PHE N . 27550 1 747 . 1 1 110 110 GLU H H 1 8.682 . . 1 . . . . . 263 GLU H . 27550 1 748 . 1 1 110 110 GLU HA H 1 4.365 . . 1 . . . . . 263 GLU HA . 27550 1 749 . 1 1 110 110 GLU HB2 H 1 1.796 . . 2 . . . . . 263 GLU HB2 . 27550 1 750 . 1 1 110 110 GLU HB3 H 1 2.301 . . 2 . . . . . 263 GLU HB3 . 27550 1 751 . 1 1 110 110 GLU C C 13 177.441 . . 1 . . . . . 263 GLU C . 27550 1 752 . 1 1 110 110 GLU CA C 13 55.498 . . 1 . . . . . 263 GLU CA . 27550 1 753 . 1 1 110 110 GLU CB C 13 29.447 . . 1 . . . . . 263 GLU CB . 27550 1 754 . 1 1 110 110 GLU N N 15 121.520 . . 1 . . . . . 263 GLU N . 27550 1 755 . 1 1 111 111 ASP H H 1 8.929 . . 1 . . . . . 264 ASP H . 27550 1 756 . 1 1 111 111 ASP HA H 1 4.675 . . 1 . . . . . 264 ASP HA . 27550 1 757 . 1 1 111 111 ASP HB2 H 1 2.234 . . 2 . . . . . 264 ASP HB2 . 27550 1 758 . 1 1 111 111 ASP HB3 H 1 2.436 . . 2 . . . . . 264 ASP HB3 . 27550 1 759 . 1 1 111 111 ASP C C 13 176.482 . . 1 . . . . . 264 ASP C . 27550 1 760 . 1 1 111 111 ASP CA C 13 54.993 . . 1 . . . . . 264 ASP CA . 27550 1 761 . 1 1 111 111 ASP CB C 13 40.596 . . 1 . . . . . 264 ASP CB . 27550 1 762 . 1 1 111 111 ASP N N 15 122.005 . . 1 . . . . . 264 ASP N . 27550 1 763 . 1 1 112 112 VAL H H 1 8.684 . . 1 . . . . . 265 VAL H . 27550 1 764 . 1 1 112 112 VAL HA H 1 4.425 . . 1 . . . . . 265 VAL HA . 27550 1 765 . 1 1 112 112 VAL HB H 1 1.798 . . 1 . . . . . 265 VAL HB . 27550 1 766 . 1 1 112 112 VAL C C 13 174.894 . . 1 . . . . . 265 VAL C . 27550 1 767 . 1 1 112 112 VAL CA C 13 60.811 . . 1 . . . . . 265 VAL CA . 27550 1 768 . 1 1 112 112 VAL CB C 13 33.697 . . 1 . . . . . 265 VAL CB . 27550 1 769 . 1 1 112 112 VAL N N 15 122.993 . . 1 . . . . . 265 VAL N . 27550 1 770 . 1 1 113 113 THR H H 1 9.059 . . 1 . . . . . 266 THR H . 27550 1 771 . 1 1 113 113 THR HA H 1 5.079 . . 1 . . . . . 266 THR HA . 27550 1 772 . 1 1 113 113 THR HB H 1 3.782 . . 1 . . . . . 266 THR HB . 27550 1 773 . 1 1 113 113 THR C C 13 174.944 . . 1 . . . . . 266 THR C . 27550 1 774 . 1 1 113 113 THR CA C 13 61.594 . . 1 . . . . . 266 THR CA . 27550 1 775 . 1 1 113 113 THR CB C 13 68.783 . . 1 . . . . . 266 THR CB . 27550 1 776 . 1 1 113 113 THR N N 15 123.487 . . 1 . . . . . 266 THR N . 27550 1 777 . 1 1 114 114 ILE H H 1 10.299 . . 1 . . . . . 267 ILE H . 27550 1 778 . 1 1 114 114 ILE HA H 1 4.879 . . 1 . . . . . 267 ILE HA . 27550 1 779 . 1 1 114 114 ILE HB H 1 1.576 . . 1 . . . . . 267 ILE HB . 27550 1 780 . 1 1 114 114 ILE C C 13 174.399 . . 1 . . . . . 267 ILE C . 27550 1 781 . 1 1 114 114 ILE CA C 13 59.224 . . 1 . . . . . 267 ILE CA . 27550 1 782 . 1 1 114 114 ILE CB C 13 40.608 . . 1 . . . . . 267 ILE CB . 27550 1 783 . 1 1 114 114 ILE N N 15 132.513 . . 1 . . . . . 267 ILE N . 27550 1 784 . 1 1 115 115 THR H H 1 9.046 . . 1 . . . . . 268 THR H . 27550 1 785 . 1 1 115 115 THR HA H 1 5.192 . . 1 . . . . . 268 THR HA . 27550 1 786 . 1 1 115 115 THR HB H 1 3.785 . . 1 . . . . . 268 THR HB . 27550 1 787 . 1 1 115 115 THR C C 13 174.289 . . 1 . . . . . 268 THR C . 27550 1 788 . 1 1 115 115 THR CA C 13 61.341 . . 1 . . . . . 268 THR CA . 27550 1 789 . 1 1 115 115 THR CB C 13 69.314 . . 1 . . . . . 268 THR CB . 27550 1 790 . 1 1 115 115 THR N N 15 124.428 . . 1 . . . . . 268 THR N . 27550 1 791 . 1 1 116 116 VAL H H 1 8.509 . . 1 . . . . . 269 VAL H . 27550 1 792 . 1 1 116 116 VAL HA H 1 5.130 . . 1 . . . . . 269 VAL HA . 27550 1 793 . 1 1 116 116 VAL HB H 1 2.192 . . 1 . . . . . 269 VAL HB . 27550 1 794 . 1 1 116 116 VAL C C 13 173.966 . . 1 . . . . . 269 VAL C . 27550 1 795 . 1 1 116 116 VAL CA C 13 57.620 . . 1 . . . . . 269 VAL CA . 27550 1 796 . 1 1 116 116 VAL CB C 13 34.223 . . 1 . . . . . 269 VAL CB . 27550 1 797 . 1 1 116 116 VAL N N 15 118.021 . . 1 . . . . . 269 VAL N . 27550 1 798 . 1 1 117 117 THR H H 1 9.197 . . 1 . . . . . 270 THR H . 27550 1 799 . 1 1 117 117 THR HA H 1 5.301 . . 1 . . . . . 270 THR HA . 27550 1 800 . 1 1 117 117 THR HB H 1 3.833 . . 1 . . . . . 270 THR HB . 27550 1 801 . 1 1 117 117 THR C C 13 173.173 . . 1 . . . . . 270 THR C . 27550 1 802 . 1 1 117 117 THR CA C 13 59.217 . . 1 . . . . . 270 THR CA . 27550 1 803 . 1 1 117 117 THR CB C 13 70.383 . . 1 . . . . . 270 THR CB . 27550 1 804 . 1 1 117 117 THR N N 15 117.014 . . 1 . . . . . 270 THR N . 27550 1 805 . 1 1 118 118 LYS H H 1 8.951 . . 1 . . . . . 271 LYS H . 27550 1 806 . 1 1 118 118 LYS HA H 1 5.394 . . 1 . . . . . 271 LYS HA . 27550 1 807 . 1 1 118 118 LYS HB2 H 1 1.273 . . 2 . . . . . 271 LYS HB2 . 27550 1 808 . 1 1 118 118 LYS HB3 H 1 2.502 . . 2 . . . . . 271 LYS HB3 . 27550 1 809 . 1 1 118 118 LYS C C 13 175.085 . . 1 . . . . . 271 LYS C . 27550 1 810 . 1 1 118 118 LYS CA C 13 53.918 . . 1 . . . . . 271 LYS CA . 27550 1 811 . 1 1 118 118 LYS CB C 13 35.295 . . 1 . . . . . 271 LYS CB . 27550 1 812 . 1 1 118 118 LYS N N 15 126.531 . . 1 . . . . . 271 LYS N . 27550 1 813 . 1 1 119 119 LYS H H 1 8.918 . . 1 . . . . . 272 LYS H . 27550 1 814 . 1 1 119 119 LYS HA H 1 4.507 . . 1 . . . . . 272 LYS HA . 27550 1 815 . 1 1 119 119 LYS HB2 H 1 1.755 . . 2 . . . . . 272 LYS HB2 . 27550 1 816 . 1 1 119 119 LYS HB3 H 1 1.755 . . 2 . . . . . 272 LYS HB3 . 27550 1 817 . 1 1 119 119 LYS C C 13 175.688 . . 1 . . . . . 272 LYS C . 27550 1 818 . 1 1 119 119 LYS CA C 13 55.498 . . 1 . . . . . 272 LYS CA . 27550 1 819 . 1 1 119 119 LYS CB C 13 34.766 . . 1 . . . . . 272 LYS CB . 27550 1 820 . 1 1 119 119 LYS N N 15 128.002 . . 1 . . . . . 272 LYS N . 27550 1 821 . 1 1 120 120 ASP H H 1 9.851 . . 1 . . . . . 273 ASP H . 27550 1 822 . 1 1 120 120 ASP HA H 1 4.333 . . 1 . . . . . 273 ASP HA . 27550 1 823 . 1 1 120 120 ASP HB2 H 1 2.729 . . 2 . . . . . 273 ASP HB2 . 27550 1 824 . 1 1 120 120 ASP HB3 H 1 2.946 . . 2 . . . . . 273 ASP HB3 . 27550 1 825 . 1 1 120 120 ASP C C 13 176.042 . . 1 . . . . . 273 ASP C . 27550 1 826 . 1 1 120 120 ASP CA C 13 55.496 . . 1 . . . . . 273 ASP CA . 27550 1 827 . 1 1 120 120 ASP CB C 13 39.017 . . 1 . . . . . 273 ASP CB . 27550 1 828 . 1 1 120 120 ASP N N 15 129.508 . . 1 . . . . . 273 ASP N . 27550 1 829 . 1 1 121 121 GLY H H 1 8.848 . . 1 . . . . . 274 GLY H . 27550 1 830 . 1 1 121 121 GLY HA2 H 1 3.610 . . 2 . . . . . 274 GLY HA2 . 27550 1 831 . 1 1 121 121 GLY HA3 H 1 4.145 . . 2 . . . . . 274 GLY HA3 . 27550 1 832 . 1 1 121 121 GLY C C 13 173.826 . . 1 . . . . . 274 GLY C . 27550 1 833 . 1 1 121 121 GLY CA C 13 45.356 . . 1 . . . . . 274 GLY CA . 27550 1 834 . 1 1 121 121 GLY N N 15 104.507 . . 1 . . . . . 274 GLY N . 27550 1 835 . 1 1 122 122 GLN H H 1 7.990 . . 1 . . . . . 275 GLN H . 27550 1 836 . 1 1 122 122 GLN HA H 1 4.784 . . 1 . . . . . 275 GLN HA . 27550 1 837 . 1 1 122 122 GLN HB2 H 1 1.904 . . 2 . . . . . 275 GLN HB2 . 27550 1 838 . 1 1 122 122 GLN HB3 H 1 2.036 . . 2 . . . . . 275 GLN HB3 . 27550 1 839 . 1 1 122 122 GLN C C 13 174.600 . . 1 . . . . . 275 GLN C . 27550 1 840 . 1 1 122 122 GLN CA C 13 53.901 . . 1 . . . . . 275 GLN CA . 27550 1 841 . 1 1 122 122 GLN CB C 13 31.040 . . 1 . . . . . 275 GLN CB . 27550 1 842 . 1 1 122 122 GLN N N 15 120.058 . . 1 . . . . . 275 GLN N . 27550 1 843 . 1 1 123 123 ILE H H 1 8.094 . . 1 . . . . . 276 ILE H . 27550 1 844 . 1 1 123 123 ILE HA H 1 5.019 . . 1 . . . . . 276 ILE HA . 27550 1 845 . 1 1 123 123 ILE HB H 1 1.317 . . 1 . . . . . 276 ILE HB . 27550 1 846 . 1 1 123 123 ILE C C 13 174.184 . . 1 . . . . . 276 ILE C . 27550 1 847 . 1 1 123 123 ILE CA C 13 59.218 . . 1 . . . . . 276 ILE CA . 27550 1 848 . 1 1 123 123 ILE CB C 13 38.490 . . 1 . . . . . 276 ILE CB . 27550 1 849 . 1 1 123 123 ILE N N 15 122.518 . . 1 . . . . . 276 ILE N . 27550 1 850 . 1 1 124 124 HIS H H 1 9.129 . . 1 . . . . . 277 HIS H . 27550 1 851 . 1 1 124 124 HIS HA H 1 5.018 . . 1 . . . . . 277 HIS HA . 27550 1 852 . 1 1 124 124 HIS HB2 H 1 3.023 . . 2 . . . . . 277 HIS HB2 . 27550 1 853 . 1 1 124 124 HIS HB3 H 1 3.161 . . 2 . . . . . 277 HIS HB3 . 27550 1 854 . 1 1 124 124 HIS C C 13 174.683 . . 1 . . . . . 277 HIS C . 27550 1 855 . 1 1 124 124 HIS CA C 13 53.369 . . 1 . . . . . 277 HIS CA . 27550 1 856 . 1 1 124 124 HIS CB C 13 31.646 . . 1 . . . . . 277 HIS CB . 27550 1 857 . 1 1 124 124 HIS N N 15 123.051 . . 1 . . . . . 277 HIS N . 27550 1 858 . 1 1 125 125 PHE H H 1 9.516 . . 1 . . . . . 278 PHE H . 27550 1 859 . 1 1 125 125 PHE HA H 1 4.068 . . 1 . . . . . 278 PHE HA . 27550 1 860 . 1 1 125 125 PHE HB2 H 1 2.989 . . 2 . . . . . 278 PHE HB2 . 27550 1 861 . 1 1 125 125 PHE HB3 H 1 3.131 . . 2 . . . . . 278 PHE HB3 . 27550 1 862 . 1 1 125 125 PHE C C 13 174.578 . . 1 . . . . . 278 PHE C . 27550 1 863 . 1 1 125 125 PHE CA C 13 59.751 . . 1 . . . . . 278 PHE CA . 27550 1 864 . 1 1 125 125 PHE CB C 13 39.552 . . 1 . . . . . 278 PHE CB . 27550 1 865 . 1 1 125 125 PHE N N 15 125.009 . . 1 . . . . . 278 PHE N . 27550 1 866 . 1 1 126 126 VAL H H 1 7.577 . . 1 . . . . . 279 VAL H . 27550 1 867 . 1 1 126 126 VAL HA H 1 4.040 . . 1 . . . . . 279 VAL HA . 27550 1 868 . 1 1 126 126 VAL HB H 1 1.536 . . 1 . . . . . 279 VAL HB . 27550 1 869 . 1 1 126 126 VAL C C 13 174.761 . . 1 . . . . . 279 VAL C . 27550 1 870 . 1 1 126 126 VAL CA C 13 64.004 . . 1 . . . . . 279 VAL CA . 27550 1 871 . 1 1 126 126 VAL CB C 13 32.104 . . 1 . . . . . 279 VAL CB . 27550 1 872 . 1 1 126 126 VAL N N 15 127.043 . . 1 . . . . . 279 VAL N . 27550 1 873 . 1 1 127 127 SER H H 1 7.275 . . 1 . . . . . 280 SER H . 27550 1 874 . 1 1 127 127 SER HA H 1 4.427 . . 1 . . . . . 280 SER HA . 27550 1 875 . 1 1 127 127 SER HB2 H 1 3.706 . . 2 . . . . . 280 SER HB2 . 27550 1 876 . 1 1 127 127 SER HB3 H 1 3.706 . . 2 . . . . . 280 SER HB3 . 27550 1 877 . 1 1 127 127 SER C C 13 171.422 . . 1 . . . . . 280 SER C . 27550 1 878 . 1 1 127 127 SER CA C 13 57.616 . . 1 . . . . . 280 SER CA . 27550 1 879 . 1 1 127 127 SER CB C 13 65.065 . . 1 . . . . . 280 SER CB . 27550 1 880 . 1 1 127 127 SER N N 15 109.003 . . 1 . . . . . 280 SER N . 27550 1 881 . 1 1 128 128 ALA H H 1 8.782 . . 1 . . . . . 281 ALA H . 27550 1 882 . 1 1 128 128 ALA HA H 1 5.176 . . 1 . . . . . 281 ALA HA . 27550 1 883 . 1 1 128 128 ALA HB1 H 1 1.413 . . 1 . . . . . 281 ALA HB . 27550 1 884 . 1 1 128 128 ALA HB2 H 1 1.413 . . 1 . . . . . 281 ALA HB . 27550 1 885 . 1 1 128 128 ALA HB3 H 1 1.413 . . 1 . . . . . 281 ALA HB . 27550 1 886 . 1 1 128 128 ALA C C 13 175.114 . . 1 . . . . . 281 ALA C . 27550 1 887 . 1 1 128 128 ALA CA C 13 50.712 . . 1 . . . . . 281 ALA CA . 27550 1 888 . 1 1 128 128 ALA CB C 13 22.000 . . 1 . . . . . 281 ALA CB . 27550 1 889 . 1 1 128 128 ALA N N 15 122.014 . . 1 . . . . . 281 ALA N . 27550 1 890 . 1 1 129 129 LYS H H 1 8.823 . . 1 . . . . . 282 LYS H . 27550 1 891 . 1 1 129 129 LYS HA H 1 4.928 . . 1 . . . . . 282 LYS HA . 27550 1 892 . 1 1 129 129 LYS HB2 H 1 1.572 . . 2 . . . . . 282 LYS HB2 . 27550 1 893 . 1 1 129 129 LYS HB3 H 1 1.740 . . 2 . . . . . 282 LYS HB3 . 27550 1 894 . 1 1 129 129 LYS C C 13 174.540 . . 1 . . . . . 282 LYS C . 27550 1 895 . 1 1 129 129 LYS CA C 13 54.432 . . 1 . . . . . 282 LYS CA . 27550 1 896 . 1 1 129 129 LYS CB C 13 36.891 . . 1 . . . . . 282 LYS CB . 27550 1 897 . 1 1 129 129 LYS N N 15 120.492 . . 1 . . . . . 282 LYS N . 27550 1 898 . 1 1 130 130 GLN H H 1 8.672 . . 1 . . . . . 283 GLN H . 27550 1 899 . 1 1 130 130 GLN HA H 1 4.739 . . 1 . . . . . 283 GLN HA . 27550 1 900 . 1 1 130 130 GLN HB2 H 1 1.884 . . 2 . . . . . 283 GLN HB2 . 27550 1 901 . 1 1 130 130 GLN HB3 H 1 2.001 . . 2 . . . . . 283 GLN HB3 . 27550 1 902 . 1 1 130 130 GLN C C 13 175.007 . . 1 . . . . . 283 GLN C . 27550 1 903 . 1 1 130 130 GLN CA C 13 54.433 . . 1 . . . . . 283 GLN CA . 27550 1 904 . 1 1 130 130 GLN CB C 13 32.104 . . 1 . . . . . 283 GLN CB . 27550 1 905 . 1 1 130 130 GLN N N 15 120.521 . . 1 . . . . . 283 GLN N . 27550 1 906 . 1 1 131 131 LYS H H 1 8.817 . . 1 . . . . . 284 LYS H . 27550 1 907 . 1 1 131 131 LYS HA H 1 4.223 . . 1 . . . . . 284 LYS HA . 27550 1 908 . 1 1 131 131 LYS HB2 H 1 1.709 . . 2 . . . . . 284 LYS HB2 . 27550 1 909 . 1 1 131 131 LYS HB3 H 1 1.709 . . 2 . . . . . 284 LYS HB3 . 27550 1 910 . 1 1 131 131 LYS C C 13 174.953 . . 1 . . . . . 284 LYS C . 27550 1 911 . 1 1 131 131 LYS CA C 13 57.613 . . 1 . . . . . 284 LYS CA . 27550 1 912 . 1 1 131 131 LYS CB C 13 32.525 . . 1 . . . . . 284 LYS CB . 27550 1 913 . 1 1 131 131 LYS N N 15 127.496 . . 1 . . . . . 284 LYS N . 27550 1 914 . 1 1 132 132 GLN H H 1 8.078 . . 1 . . . . . 285 GLN H . 27550 1 915 . 1 1 132 132 GLN HA H 1 4.093 . . 1 . . . . . 285 GLN HA . 27550 1 916 . 1 1 132 132 GLN HB2 H 1 1.824 . . 2 . . . . . 285 GLN HB2 . 27550 1 917 . 1 1 132 132 GLN HB3 H 1 2.128 . . 2 . . . . . 285 GLN HB3 . 27550 1 918 . 1 1 132 132 GLN C C 13 180.314 . . 1 . . . . . 285 GLN C . 27550 1 919 . 1 1 132 132 GLN CA C 13 57.090 . . 1 . . . . . 285 GLN CA . 27550 1 920 . 1 1 132 132 GLN CB C 13 31.574 . . 1 . . . . . 285 GLN CB . 27550 1 921 . 1 1 132 132 GLN N N 15 127.526 . . 1 . . . . . 285 GLN N . 27550 1 stop_ save_