data_19951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19951 _Entry.Title ; Resonance assignments and secondary structure of apolipoprotein E C-terminal domain in complex with DHPC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-02 _Entry.Accession_date 2014-05-02 _Entry.Last_release_date 2015-05-05 _Entry.Original_release_date 2015-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chi-Jen Lo . . . 19951 2 Yi-Chen Chen . . . 19951 3 Chi-Fon Chang . . . 19951 4 Ming-Shi Shiao . . . 19951 5 Hsien-bin Huang . . . 19951 6 Ta-Hsien Lin . . . 19951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 19951 '15N chemical shifts' 94 19951 '1H chemical shifts' 212 19951 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-05 . original BMRB . 19951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19951 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Resonance assignments and secondary structure of apolipoprotein E C-terminal domain in DHPC micelles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 190 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chi-Jen Lo . . . 19951 1 2 Chia-Lin Chyan . . . 19951 1 3 Yi-Chen Chen . . . 19951 1 4 Chi-Fon Chang . . . 19951 1 5 Hsien-bin Huang . . . 19951 1 6 Ta-Hsien Lin . . . 19951 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'apolipoprotein E' 19951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19951 _Assembly.ID 1 _Assembly.Name apoE(195-299) _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 12155 _Assembly.Enzyme_commission_number . _Assembly.Details 'the fragment 195-299 of human apolipoprotein E' _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 apoE(195-299) 1 $apoE(195-299) A . yes native no no . . . 19951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apoE(195-299) _Entity.Sf_category entity _Entity.Sf_framecode apoE(195-299) _Entity.Entry_ID 19951 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apoE(195-299) _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 ; GSMVGSLAGQPLQERAQAWG ERLRARMEEMGSRTRDRLDE VKEQVAEVRAKLEEQAQQIR LQAEAFQARLKSWFEPLVED MQRQWAGLVEKVQAAVGTSA APVPSDNH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAG37412 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 2 no DBJ BAG72927 . "apolipoprotein E [synthetic construct]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 3 no GB AAB59397 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 9.33e-64 . . . . 19951 1 4 no GB AAB59518 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.16e-63 . . . . 19951 1 5 no GB AAB59546 . "preapolipoprotein E [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 6 no GB AAD02505 . "apolipoprotein E [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 7 no GB AAG27089 . "apolipoprotein-E [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 8 no PRF 1506383A . "apolipoprotein E mutant E3K" . . . . . 100.00 317 97.22 98.15 9.54e-64 . . . . 19951 1 9 no REF NP_000032 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 10 no REF NP_001289617 . "apolipoprotein E isoform a precursor [Homo sapiens]" . . . . . 100.00 343 97.22 98.15 6.85e-63 . . . . 19951 1 11 no REF NP_001289618 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 12 no REF NP_001289619 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 13 no REF NP_001289620 . "apolipoprotein E isoform b precursor [Homo sapiens]" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 1 14 no SP P02649 . "RecName: Full=Apolipoprotein E; Short=Apo-E; Flags: Precursor" . . . . . 100.00 317 97.22 98.15 1.09e-63 . . . . 19951 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 1 192 GLY . 19951 1 2 193 SER . 19951 1 3 194 MET . 19951 1 4 195 VAL . 19951 1 5 196 GLY . 19951 1 6 197 SER . 19951 1 7 198 LEU . 19951 1 8 199 ALA . 19951 1 9 200 GLY . 19951 1 10 201 GLN . 19951 1 11 202 PRO . 19951 1 12 203 LEU . 19951 1 13 204 GLN . 19951 1 14 205 GLU . 19951 1 15 206 ARG . 19951 1 16 207 ALA . 19951 1 17 208 GLN . 19951 1 18 209 ALA . 19951 1 19 210 TRP . 19951 1 20 211 GLY . 19951 1 21 212 GLU . 19951 1 22 213 ARG . 19951 1 23 214 LEU . 19951 1 24 215 ARG . 19951 1 25 216 ALA . 19951 1 26 217 ARG . 19951 1 27 218 MET . 19951 1 28 219 GLU . 19951 1 29 220 GLU . 19951 1 30 221 MET . 19951 1 31 222 GLY . 19951 1 32 223 SER . 19951 1 33 224 ARG . 19951 1 34 225 THR . 19951 1 35 226 ARG . 19951 1 36 227 ASP . 19951 1 37 228 ARG . 19951 1 38 229 LEU . 19951 1 39 230 ASP . 19951 1 40 231 GLU . 19951 1 41 232 VAL . 19951 1 42 233 LYS . 19951 1 43 234 GLU . 19951 1 44 235 GLN . 19951 1 45 236 VAL . 19951 1 46 237 ALA . 19951 1 47 238 GLU . 19951 1 48 239 VAL . 19951 1 49 240 ARG . 19951 1 50 241 ALA . 19951 1 51 242 LYS . 19951 1 52 243 LEU . 19951 1 53 244 GLU . 19951 1 54 245 GLU . 19951 1 55 246 GLN . 19951 1 56 247 ALA . 19951 1 57 248 GLN . 19951 1 58 249 GLN . 19951 1 59 250 ILE . 19951 1 60 251 ARG . 19951 1 61 252 LEU . 19951 1 62 253 GLN . 19951 1 63 254 ALA . 19951 1 64 255 GLU . 19951 1 65 256 ALA . 19951 1 66 257 PHE . 19951 1 67 258 GLN . 19951 1 68 259 ALA . 19951 1 69 260 ARG . 19951 1 70 261 LEU . 19951 1 71 262 LYS . 19951 1 72 263 SER . 19951 1 73 264 TRP . 19951 1 74 265 PHE . 19951 1 75 266 GLU . 19951 1 76 267 PRO . 19951 1 77 268 LEU . 19951 1 78 269 VAL . 19951 1 79 270 GLU . 19951 1 80 271 ASP . 19951 1 81 272 MET . 19951 1 82 273 GLN . 19951 1 83 274 ARG . 19951 1 84 275 GLN . 19951 1 85 276 TRP . 19951 1 86 277 ALA . 19951 1 87 278 GLY . 19951 1 88 279 LEU . 19951 1 89 280 VAL . 19951 1 90 281 GLU . 19951 1 91 282 LYS . 19951 1 92 283 VAL . 19951 1 93 284 GLN . 19951 1 94 285 ALA . 19951 1 95 286 ALA . 19951 1 96 287 VAL . 19951 1 97 288 GLY . 19951 1 98 289 THR . 19951 1 99 290 SER . 19951 1 100 291 ALA . 19951 1 101 292 ALA . 19951 1 102 293 PRO . 19951 1 103 294 VAL . 19951 1 104 295 PRO . 19951 1 105 296 SER . 19951 1 106 297 ASP . 19951 1 107 298 ASN . 19951 1 108 299 HIS . 19951 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19951 1 . SER 2 2 19951 1 . MET 3 3 19951 1 . VAL 4 4 19951 1 . GLY 5 5 19951 1 . SER 6 6 19951 1 . LEU 7 7 19951 1 . ALA 8 8 19951 1 . GLY 9 9 19951 1 . GLN 10 10 19951 1 . PRO 11 11 19951 1 . LEU 12 12 19951 1 . GLN 13 13 19951 1 . GLU 14 14 19951 1 . ARG 15 15 19951 1 . ALA 16 16 19951 1 . GLN 17 17 19951 1 . ALA 18 18 19951 1 . TRP 19 19 19951 1 . GLY 20 20 19951 1 . GLU 21 21 19951 1 . ARG 22 22 19951 1 . LEU 23 23 19951 1 . ARG 24 24 19951 1 . ALA 25 25 19951 1 . ARG 26 26 19951 1 . MET 27 27 19951 1 . GLU 28 28 19951 1 . GLU 29 29 19951 1 . MET 30 30 19951 1 . GLY 31 31 19951 1 . SER 32 32 19951 1 . ARG 33 33 19951 1 . THR 34 34 19951 1 . ARG 35 35 19951 1 . ASP 36 36 19951 1 . ARG 37 37 19951 1 . LEU 38 38 19951 1 . ASP 39 39 19951 1 . GLU 40 40 19951 1 . VAL 41 41 19951 1 . LYS 42 42 19951 1 . GLU 43 43 19951 1 . GLN 44 44 19951 1 . VAL 45 45 19951 1 . ALA 46 46 19951 1 . GLU 47 47 19951 1 . VAL 48 48 19951 1 . ARG 49 49 19951 1 . ALA 50 50 19951 1 . LYS 51 51 19951 1 . LEU 52 52 19951 1 . GLU 53 53 19951 1 . GLU 54 54 19951 1 . GLN 55 55 19951 1 . ALA 56 56 19951 1 . GLN 57 57 19951 1 . GLN 58 58 19951 1 . ILE 59 59 19951 1 . ARG 60 60 19951 1 . LEU 61 61 19951 1 . GLN 62 62 19951 1 . ALA 63 63 19951 1 . GLU 64 64 19951 1 . ALA 65 65 19951 1 . PHE 66 66 19951 1 . GLN 67 67 19951 1 . ALA 68 68 19951 1 . ARG 69 69 19951 1 . LEU 70 70 19951 1 . LYS 71 71 19951 1 . SER 72 72 19951 1 . TRP 73 73 19951 1 . PHE 74 74 19951 1 . GLU 75 75 19951 1 . PRO 76 76 19951 1 . LEU 77 77 19951 1 . VAL 78 78 19951 1 . GLU 79 79 19951 1 . ASP 80 80 19951 1 . MET 81 81 19951 1 . GLN 82 82 19951 1 . ARG 83 83 19951 1 . GLN 84 84 19951 1 . TRP 85 85 19951 1 . ALA 86 86 19951 1 . GLY 87 87 19951 1 . LEU 88 88 19951 1 . VAL 89 89 19951 1 . GLU 90 90 19951 1 . LYS 91 91 19951 1 . VAL 92 92 19951 1 . GLN 93 93 19951 1 . ALA 94 94 19951 1 . ALA 95 95 19951 1 . VAL 96 96 19951 1 . GLY 97 97 19951 1 . THR 98 98 19951 1 . SER 99 99 19951 1 . ALA 100 100 19951 1 . ALA 101 101 19951 1 . PRO 102 102 19951 1 . VAL 103 103 19951 1 . PRO 104 104 19951 1 . SER 105 105 19951 1 . ASP 106 106 19951 1 . ASN 107 107 19951 1 . HIS 108 108 19951 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 19951 _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 $apoE(195-299) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . APOE 'the c-terminal domain of apolipoprotein E' 19951 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 19951 _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 $apoE(195-299) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 19951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19951 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apoE(195-299) '[U-13C; U-15N; U-2H]' . . 1 $apoE(195-299) . . 1 . . mM . . . . 19951 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19951 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . mM . . . . 19951 1 4 TSP [U-2H] . . . . . . 0.02 . . mM . . . . 19951 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19951 1 6 'dihexanoyl phosphatidylcholine (DHPC) micelles' 'natural abundance' . . . . . . . . . mM . . . . 19951 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 19951 _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' 50 . mM 19951 1 pH 6.5 . pH 19951 1 pressure 1 . atm 19951 1 temperature 310 . K 19951 1 stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 19951 _Software.ID 1 _Software.Name AURELIA _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 19951 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19951 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19951 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19951 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19951 2 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 19951 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19951 _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 . . . 19951 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 19951 _Experiment_list.ID 1 _Experiment_list.Details 'TROSY-type experiment' 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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 8 '3D HBHA(CBCA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 9 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19951 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCA _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CO)CA _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CA)CO _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CO)CACB _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CO)CACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_C(CO)NH _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_H(CCCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_H(CCCO)NH _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D H(CCCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' save_ save_3D_HBHANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHANH _NMR_spec_expt.Entry_ID 19951 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HBHA(CBCA)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'TRSY-type experiment' 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 19951 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 19951 1 H 1 TSP 'methylene protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19951 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19951 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 19951 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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' . . . 19951 1 2 '3D HNCA' . . . 19951 1 3 '3D HN(CO)CA' . . . 19951 1 4 '3D HNCO' . . . 19951 1 5 '3D HN(CA)CO' . . . 19951 1 6 '3D HNCACB' . . . 19951 1 7 '3D HN(CO)CACB' . . . 19951 1 8 '3D HBHA(CBCA)NH' . . . 19951 1 9 '3D H(CCCO)NH' . . . 19951 1 10 '3D C(CO)NH' . . . 19951 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 VAL H H 1 8.074 0.01 . 1 . . . . 195 VAL H . 19951 1 2 . 1 1 4 4 VAL HA H 1 4.090 0.01 . 1 . . . . 195 VAL HA . 19951 1 3 . 1 1 4 4 VAL HB H 1 2.058 0.01 . 1 . . . . 195 VAL HB . 19951 1 4 . 1 1 4 4 VAL HG11 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 5 . 1 1 4 4 VAL HG12 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 6 . 1 1 4 4 VAL HG13 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 7 . 1 1 4 4 VAL HG21 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 8 . 1 1 4 4 VAL HG22 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 9 . 1 1 4 4 VAL HG23 H 1 0.918 0.02 . 2 . . . . 195 VAL HG . 19951 1 10 . 1 1 4 4 VAL C C 13 176.616 0.10 . 1 . . . . 195 VAL C . 19951 1 11 . 1 1 4 4 VAL CA C 13 62.281 0.10 . 1 . . . . 195 VAL CA . 19951 1 12 . 1 1 4 4 VAL CB C 13 31.659 0.10 . 1 . . . . 195 VAL CB . 19951 1 13 . 1 1 4 4 VAL CG1 C 13 19.901 0.10 . 2 . . . . 195 VAL CG1 . 19951 1 14 . 1 1 4 4 VAL CG2 C 13 19.901 0.10 . 2 . . . . 195 VAL CG2 . 19951 1 15 . 1 1 4 4 VAL N N 15 120.999 0.10 . 1 . . . . 195 VAL N . 19951 1 16 . 1 1 5 5 GLY H H 1 8.341 0.01 . 1 . . . . 196 GLY H . 19951 1 17 . 1 1 5 5 GLY HA2 H 1 3.989 0.10 . 1 . . . . 196 GLY HA . 19951 1 18 . 1 1 5 5 GLY HA3 H 1 3.989 0.10 . 1 . . . . 196 GLY HA . 19951 1 19 . 1 1 5 5 GLY C C 13 174.299 0.10 . 1 . . . . 196 GLY C . 19951 1 20 . 1 1 5 5 GLY CA C 13 44.971 0.10 . 1 . . . . 196 GLY CA . 19951 1 21 . 1 1 5 5 GLY N N 15 112.216 0.10 . 1 . . . . 196 GLY N . 19951 1 22 . 1 1 6 6 SER H H 1 8.068 0.01 . 1 . . . . 197 SER H . 19951 1 23 . 1 1 6 6 SER HA H 1 4.437 0.10 . 1 . . . . 197 SER HA . 19951 1 24 . 1 1 6 6 SER HB2 H 1 3.850 0.02 . 2 . . . . 197 SER HB . 19951 1 25 . 1 1 6 6 SER HB3 H 1 3.850 0.02 . 2 . . . . 197 SER HB . 19951 1 26 . 1 1 6 6 SER C C 13 174.839 0.10 . 1 . . . . 197 SER C . 19951 1 27 . 1 1 6 6 SER CA C 13 58.126 0.10 . 1 . . . . 197 SER CA . 19951 1 28 . 1 1 6 6 SER CB C 13 63.287 0.10 . 1 . . . . 197 SER CB . 19951 1 29 . 1 1 6 6 SER N N 15 115.778 0.10 . 1 . . . . 197 SER N . 19951 1 30 . 1 1 7 7 LEU H H 1 8.212 0.01 . 1 . . . . 198 LEU H . 19951 1 31 . 1 1 7 7 LEU HA H 1 4.332 0.10 . 1 . . . . 198 LEU HA . 19951 1 32 . 1 1 7 7 LEU HB2 H 1 1.622 0.02 . 2 . . . . 198 LEU HB . 19951 1 33 . 1 1 7 7 LEU HB3 H 1 1.622 0.02 . 2 . . . . 198 LEU HB . 19951 1 34 . 1 1 7 7 LEU HG H 1 1.622 0.02 . 1 . . . . 198 LEU HG . 19951 1 35 . 1 1 7 7 LEU HD11 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 36 . 1 1 7 7 LEU HD12 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 37 . 1 1 7 7 LEU HD13 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 38 . 1 1 7 7 LEU HD21 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 39 . 1 1 7 7 LEU HD22 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 40 . 1 1 7 7 LEU HD23 H 1 0.844 0.02 . 2 . . . . 198 LEU HD . 19951 1 41 . 1 1 7 7 LEU C C 13 177.048 0.10 . 1 . . . . 198 LEU C . 19951 1 42 . 1 1 7 7 LEU CA C 13 54.977 0.10 . 1 . . . . 198 LEU CA . 19951 1 43 . 1 1 7 7 LEU CB C 13 41.271 0.10 . 1 . . . . 198 LEU CB . 19951 1 44 . 1 1 7 7 LEU CG C 13 26.009 0.10 . 1 . . . . 198 LEU CG . 19951 1 45 . 1 1 7 7 LEU CD1 C 13 22.542 0.10 . 2 . . . . 198 LEU CD . 19951 1 46 . 1 1 7 7 LEU CD2 C 13 22.542 0.10 . 2 . . . . 198 LEU CD . 19951 1 47 . 1 1 7 7 LEU N N 15 124.031 0.10 . 1 . . . . 198 LEU N . 19951 1 48 . 1 1 8 8 ALA H H 1 8.044 0.01 . 1 . . . . 199 ALA H . 19951 1 49 . 1 1 8 8 ALA HA H 1 4.278 0.10 . 1 . . . . 199 ALA HA . 19951 1 50 . 1 1 8 8 ALA HB1 H 1 1.362 0.10 . 1 . . . . 199 ALA HB . 19951 1 51 . 1 1 8 8 ALA HB2 H 1 1.362 0.10 . 1 . . . . 199 ALA HB . 19951 1 52 . 1 1 8 8 ALA HB3 H 1 1.362 0.10 . 1 . . . . 199 ALA HB . 19951 1 53 . 1 1 8 8 ALA C C 13 178.073 0.10 . 1 . . . . 199 ALA C . 19951 1 54 . 1 1 8 8 ALA CA C 13 52.294 0.10 . 1 . . . . 199 ALA CA . 19951 1 55 . 1 1 8 8 ALA CB C 13 18.296 0.10 . 1 . . . . 199 ALA CB . 19951 1 56 . 1 1 8 8 ALA N N 15 123.695 0.10 . 1 . . . . 199 ALA N . 19951 1 57 . 1 1 9 9 GLY H H 1 8.177 0.01 . 1 . . . . 200 GLY H . 19951 1 58 . 1 1 9 9 GLY HA2 H 1 3.927 0.10 . 1 . . . . 200 GLY HA . 19951 1 59 . 1 1 9 9 GLY HA3 H 1 3.927 0.10 . 1 . . . . 200 GLY HA . 19951 1 60 . 1 1 9 9 GLY C C 13 174.03 0.10 . 1 . . . . 200 GLY C . 19951 1 61 . 1 1 9 9 GLY CA C 13 44.802 0.10 . 1 . . . . 200 GLY CA . 19951 1 62 . 1 1 9 9 GLY N N 15 107.734 0.10 . 1 . . . . 200 GLY N . 19951 1 63 . 1 1 10 10 GLN H H 1 8.064 0.01 . 1 . . . . 201 GLN H . 19951 1 64 . 1 1 10 10 GLN C C 13 174.29 0.10 . 1 . . . . 201 GLN C . 19951 1 65 . 1 1 10 10 GLN CA C 13 54.138 0.10 . 1 . . . . 201 GLN CA . 19951 1 66 . 1 1 10 10 GLN N N 15 121.15 0.10 . 1 . . . . 201 GLN N . 19951 1 67 . 1 1 11 11 PRO HA H 1 4.434 0.10 . 1 . . . . 202 PRO HA . 19951 1 68 . 1 1 11 11 PRO HB2 H 1 2.320 0.02 . 2 . . . . 202 PRO HB . 19951 1 69 . 1 1 11 11 PRO HB3 H 1 2.320 0.02 . 2 . . . . 202 PRO HB . 19951 1 70 . 1 1 11 11 PRO HG2 H 1 1.978 0.02 . 2 . . . . 202 PRO HG . 19951 1 71 . 1 1 11 11 PRO HG3 H 1 1.978 0.02 . 2 . . . . 202 PRO HG . 19951 1 72 . 1 1 11 11 PRO C C 13 177.629 0.10 . 1 . . . . 202 PRO C . 19951 1 73 . 1 1 11 11 PRO CA C 13 63.312 0.10 . 1 . . . . 202 PRO CA . 19951 1 74 . 1 1 11 11 PRO CB C 13 31.117 0.10 . 1 . . . . 202 PRO CB . 19951 1 75 . 1 1 11 11 PRO CG C 13 26.797 0.10 . 1 . . . . 202 PRO CG . 19951 1 76 . 1 1 12 12 LEU H H 1 8.282 0.01 . 1 . . . . 203 LEU H . 19951 1 77 . 1 1 12 12 LEU HA H 1 4.134 0.10 . 1 . . . . 203 LEU HA . 19951 1 78 . 1 1 12 12 LEU HB2 H 1 1.652 0.02 . 2 . . . . 203 LEU HB . 19951 1 79 . 1 1 12 12 LEU HB3 H 1 1.652 0.02 . 2 . . . . 203 LEU HB . 19951 1 80 . 1 1 12 12 LEU HG H 1 0.884 0.02 . 1 . . . . 203 LEU HG . 19951 1 81 . 1 1 12 12 LEU C C 13 177.978 0.10 . 1 . . . . 203 LEU C . 19951 1 82 . 1 1 12 12 LEU CA C 13 56.342 0.10 . 1 . . . . 203 LEU CA . 19951 1 83 . 1 1 12 12 LEU CB C 13 40.923 0.10 . 1 . . . . 203 LEU CB . 19951 1 84 . 1 1 12 12 LEU CG C 13 26.346 0.10 . 1 . . . . 203 LEU CG . 19951 1 85 . 1 1 12 12 LEU CD1 C 13 23.015 0.10 . 2 . . . . 203 LEU CD . 19951 1 86 . 1 1 12 12 LEU CD2 C 13 23.015 0.10 . 2 . . . . 203 LEU CD . 19951 1 87 . 1 1 12 12 LEU N N 15 122.2 0.10 . 1 . . . . 203 LEU N . 19951 1 88 . 1 1 13 13 GLN H H 1 8.404 0.01 . 1 . . . . 204 GLN H . 19951 1 89 . 1 1 13 13 GLN HA H 1 4.120 0.10 . 1 . . . . 204 GLN HA . 19951 1 90 . 1 1 13 13 GLN HB2 H 1 2.085 0.02 . 2 . . . . 204 GLN HB . 19951 1 91 . 1 1 13 13 GLN HB3 H 1 2.085 0.02 . 2 . . . . 204 GLN HB . 19951 1 92 . 1 1 13 13 GLN HG2 H 1 2.389 0.02 . 2 . . . . 204 GLN HG . 19951 1 93 . 1 1 13 13 GLN HG3 H 1 2.389 0.02 . 2 . . . . 204 GLN HG . 19951 1 94 . 1 1 13 13 GLN C C 13 177.167 0.10 . 1 . . . . 204 GLN C . 19951 1 95 . 1 1 13 13 GLN CA C 13 57.331 0.10 . 1 . . . . 204 GLN CA . 19951 1 96 . 1 1 13 13 GLN CB C 13 27.861 0.10 . 1 . . . . 204 GLN CB . 19951 1 97 . 1 1 13 13 GLN CG C 13 33.121 0.10 . 1 . . . . 204 GLN CG . 19951 1 98 . 1 1 13 13 GLN N N 15 119.551 0.10 . 1 . . . . 204 GLN N . 19951 1 99 . 1 1 14 14 GLU H H 1 8.058 0.01 . 1 . . . . 205 GLU H . 19951 1 100 . 1 1 14 14 GLU HA H 1 4.172 0.10 . 1 . . . . 205 GLU HA . 19951 1 101 . 1 1 14 14 GLU HB2 H 1 2.039 0.02 . 2 . . . . 205 GLU HB . 19951 1 102 . 1 1 14 14 GLU HB3 H 1 2.039 0.02 . 2 . . . . 205 GLU HB . 19951 1 103 . 1 1 14 14 GLU HG2 H 1 2.249 0.02 . 2 . . . . 205 GLU HG . 19951 1 104 . 1 1 14 14 GLU HG3 H 1 2.249 0.02 . 2 . . . . 205 GLU HG . 19951 1 105 . 1 1 14 14 GLU C C 13 178.144 0.10 . 1 . . . . 205 GLU C . 19951 1 106 . 1 1 14 14 GLU CA C 13 57.578 0.10 . 1 . . . . 205 GLU CA . 19951 1 107 . 1 1 14 14 GLU CB C 13 29.105 0.10 . 1 . . . . 205 GLU CB . 19951 1 108 . 1 1 14 14 GLU CG C 13 35.721 0.10 . 1 . . . . 205 GLU CG . 19951 1 109 . 1 1 14 14 GLU N N 15 120.643 0.10 . 1 . . . . 205 GLU N . 19951 1 110 . 1 1 15 15 ARG H H 1 8.021 0.01 . 1 . . . . 206 ARG H . 19951 1 111 . 1 1 15 15 ARG HA H 1 4.172 0.10 . 1 . . . . 206 ARG HA . 19951 1 112 . 1 1 15 15 ARG HB2 H 1 1.731 0.02 . 2 . . . . 206 ARG HB . 19951 1 113 . 1 1 15 15 ARG HB3 H 1 1.731 0.02 . 2 . . . . 206 ARG HB . 19951 1 114 . 1 1 15 15 ARG HD2 H 1 3.166 0.02 . 2 . . . . 206 ARG HD . 19951 1 115 . 1 1 15 15 ARG HD3 H 1 3.166 0.02 . 2 . . . . 206 ARG HD . 19951 1 116 . 1 1 15 15 ARG C C 13 177.398 0.10 . 1 . . . . 206 ARG C . 19951 1 117 . 1 1 15 15 ARG CA C 13 57.154 0.10 . 1 . . . . 206 ARG CA . 19951 1 118 . 1 1 15 15 ARG CB C 13 29.34 0.10 . 1 . . . . 206 ARG CB . 19951 1 119 . 1 1 15 15 ARG CG C 13 26.137 0.10 . 1 . . . . 206 ARG CG . 19951 1 120 . 1 1 15 15 ARG CD C 13 42.825 0.10 . 1 . . . . 206 ARG CD . 19951 1 121 . 1 1 15 15 ARG N N 15 121.024 0.10 . 1 . . . . 206 ARG N . 19951 1 122 . 1 1 16 16 ALA H H 1 8.28 0.01 . 1 . . . . 207 ALA H . 19951 1 123 . 1 1 16 16 ALA HA H 1 4.116 0.10 . 1 . . . . 207 ALA HA . 19951 1 124 . 1 1 16 16 ALA HB1 H 1 1.399 0.10 . 1 . . . . 207 ALA HB . 19951 1 125 . 1 1 16 16 ALA HB2 H 1 1.399 0.10 . 1 . . . . 207 ALA HB . 19951 1 126 . 1 1 16 16 ALA HB3 H 1 1.399 0.10 . 1 . . . . 207 ALA HB . 19951 1 127 . 1 1 16 16 ALA C C 13 178.762 0.10 . 1 . . . . 207 ALA C . 19951 1 128 . 1 1 16 16 ALA CA C 13 53.594 0.10 . 1 . . . . 207 ALA CA . 19951 1 129 . 1 1 16 16 ALA CB C 13 17.798 0.10 . 1 . . . . 207 ALA CB . 19951 1 130 . 1 1 16 16 ALA N N 15 122.906 0.10 . 1 . . . . 207 ALA N . 19951 1 131 . 1 1 17 17 GLN H H 1 8.079 0.01 . 1 . . . . 208 GLN H . 19951 1 132 . 1 1 17 17 GLN HA H 1 4.136 0.02 . 1 . . . . 208 GLN HA . 19951 1 133 . 1 1 17 17 GLN HB2 H 1 2.084 0.02 . 2 . . . . 208 GLN HB . 19951 1 134 . 1 1 17 17 GLN HB3 H 1 2.084 0.02 . 2 . . . . 208 GLN HB . 19951 1 135 . 1 1 17 17 GLN C C 13 177.441 0.10 . 1 . . . . 208 GLN C . 19951 1 136 . 1 1 17 17 GLN CA C 13 57.252 0.10 . 1 . . . . 208 GLN CA . 19951 1 137 . 1 1 17 17 GLN CB C 13 27.937 0.10 . 1 . . . . 208 GLN CB . 19951 1 138 . 1 1 17 17 GLN N N 15 118.496 0.10 . 1 . . . . 208 GLN N . 19951 1 139 . 1 1 18 18 ALA H H 1 8.009 0.01 . 1 . . . . 209 ALA H . 19951 1 140 . 1 1 18 18 ALA C C 13 179.731 0.10 . 1 . . . . 209 ALA C . 19951 1 141 . 1 1 18 18 ALA CA C 13 53.409 0.10 . 1 . . . . 209 ALA CA . 19951 1 142 . 1 1 18 18 ALA CB C 13 17.746 0.10 . 1 . . . . 209 ALA CB . 19951 1 143 . 1 1 18 18 ALA N N 15 123.644 0.10 . 1 . . . . 209 ALA N . 19951 1 144 . 1 1 19 19 TRP H H 1 8.29 0.01 . 1 . . . . 210 TRP H . 19951 1 145 . 1 1 19 19 TRP C C 13 178.462 0.10 . 1 . . . . 210 TRP C . 19951 1 146 . 1 1 19 19 TRP CA C 13 59.752 0.10 . 1 . . . . 210 TRP CA . 19951 1 147 . 1 1 19 19 TRP CB C 13 28.319 0.10 . 1 . . . . 210 TRP CB . 19951 1 148 . 1 1 19 19 TRP N N 15 120.618 0.10 . 1 . . . . 210 TRP N . 19951 1 149 . 1 1 20 20 GLY H H 1 8.512 0.01 . 1 . . . . 211 GLY H . 19951 1 150 . 1 1 20 20 GLY C C 13 175.649 0.10 . 1 . . . . 211 GLY C . 19951 1 151 . 1 1 20 20 GLY CA C 13 46.81 0.10 . 1 . . . . 211 GLY CA . 19951 1 152 . 1 1 20 20 GLY N N 15 107.569 0.10 . 1 . . . . 211 GLY N . 19951 1 153 . 1 1 21 21 GLU H H 1 7.88 0.01 . 1 . . . . 212 GLU H . 19951 1 154 . 1 1 21 21 GLU C C 13 179.154 0.10 . 1 . . . . 212 GLU C . 19951 1 155 . 1 1 21 21 GLU CA C 13 58.442 0.10 . 1 . . . . 212 GLU CA . 19951 1 156 . 1 1 21 21 GLU CB C 13 28.712 0.10 . 1 . . . . 212 GLU CB . 19951 1 157 . 1 1 21 21 GLU N N 15 121.442 0.10 . 1 . . . . 212 GLU N . 19951 1 158 . 1 1 22 22 ARG H H 1 7.912 0.01 . 1 . . . . 213 ARG H . 19951 1 159 . 1 1 22 22 ARG C C 13 178.852 0.10 . 1 . . . . 213 ARG C . 19951 1 160 . 1 1 22 22 ARG CA C 13 58.274 0.10 . 1 . . . . 213 ARG CA . 19951 1 161 . 1 1 22 22 ARG CB C 13 29.011 0.10 . 1 . . . . 213 ARG CB . 19951 1 162 . 1 1 22 22 ARG N N 15 120.321 0.10 . 1 . . . . 213 ARG N . 19951 1 163 . 1 1 23 23 LEU H H 1 8.084 0.01 . 1 . . . . 214 LEU H . 19951 1 164 . 1 1 23 23 LEU C C 13 178.379 0.10 . 1 . . . . 214 LEU C . 19951 1 165 . 1 1 23 23 LEU CA C 13 57.326 0.10 . 1 . . . . 214 LEU CA . 19951 1 166 . 1 1 23 23 LEU CB C 13 40.522 0.10 . 1 . . . . 214 LEU CB . 19951 1 167 . 1 1 23 23 LEU N N 15 120.748 0.10 . 1 . . . . 214 LEU N . 19951 1 168 . 1 1 24 24 ARG H H 1 8.104 0.01 . 1 . . . . 215 ARG H . 19951 1 169 . 1 1 24 24 ARG C C 13 178.288 0.10 . 1 . . . . 215 ARG C . 19951 1 170 . 1 1 24 24 ARG CA C 13 59.152 0.10 . 1 . . . . 215 ARG CA . 19951 1 171 . 1 1 24 24 ARG CB C 13 28.963 0.10 . 1 . . . . 215 ARG CB . 19951 1 172 . 1 1 24 24 ARG N N 15 119.524 0.10 . 1 . . . . 215 ARG N . 19951 1 173 . 1 1 25 25 ALA H H 1 7.918 0.01 . 1 . . . . 216 ALA H . 19951 1 174 . 1 1 25 25 ALA C C 13 180.32 0.10 . 1 . . . . 216 ALA C . 19951 1 175 . 1 1 25 25 ALA CA C 13 54.325 0.10 . 1 . . . . 216 ALA CA . 19951 1 176 . 1 1 25 25 ALA CB C 13 17.306 0.10 . 1 . . . . 216 ALA CB . 19951 1 177 . 1 1 25 25 ALA N N 15 121.132 0.10 . 1 . . . . 216 ALA N . 19951 1 178 . 1 1 26 26 ARG H H 1 7.887 0.01 . 1 . . . . 217 ARG H . 19951 1 179 . 1 1 26 26 ARG C C 13 178.745 0.10 . 1 . . . . 217 ARG C . 19951 1 180 . 1 1 26 26 ARG CA C 13 57.257 0.10 . 1 . . . . 217 ARG CA . 19951 1 181 . 1 1 26 26 ARG CB C 13 28.9 0.10 . 1 . . . . 217 ARG CB . 19951 1 182 . 1 1 26 26 ARG N N 15 118.397 0.10 . 1 . . . . 217 ARG N . 19951 1 183 . 1 1 27 27 MET H H 1 8.239 0.01 . 1 . . . . 218 MET H . 19951 1 184 . 1 1 27 27 MET C C 13 178.447 0.10 . 1 . . . . 218 MET C . 19951 1 185 . 1 1 27 27 MET CA C 13 57.806 0.10 . 1 . . . . 218 MET CA . 19951 1 186 . 1 1 27 27 MET CB C 13 31.655 0.10 . 1 . . . . 218 MET CB . 19951 1 187 . 1 1 27 27 MET N N 15 118.976 0.10 . 1 . . . . 218 MET N . 19951 1 188 . 1 1 28 28 GLU H H 1 8.221 0.01 . 1 . . . . 219 GLU H . 19951 1 189 . 1 1 28 28 GLU C C 13 178.732 0.10 . 1 . . . . 219 GLU C . 19951 1 190 . 1 1 28 28 GLU CA C 13 58.358 0.10 . 1 . . . . 219 GLU CA . 19951 1 191 . 1 1 28 28 GLU CB C 13 28.631 0.10 . 1 . . . . 219 GLU CB . 19951 1 192 . 1 1 28 28 GLU N N 15 120.228 0.10 . 1 . . . . 219 GLU N . 19951 1 193 . 1 1 29 29 GLU H H 1 7.897 0.01 . 1 . . . . 220 GLU H . 19951 1 194 . 1 1 29 29 GLU C C 13 178.268 0.10 . 1 . . . . 220 GLU C . 19951 1 195 . 1 1 29 29 GLU CA C 13 57.866 0.10 . 1 . . . . 220 GLU CA . 19951 1 196 . 1 1 29 29 GLU CB C 13 29.074 0.10 . 1 . . . . 220 GLU CB . 19951 1 197 . 1 1 29 29 GLU N N 15 120.242 0.10 . 1 . . . . 220 GLU N . 19951 1 198 . 1 1 30 30 MET H H 1 8.002 0.01 . 1 . . . . 221 MET H . 19951 1 199 . 1 1 30 30 MET C C 13 178.116 0.10 . 1 . . . . 221 MET C . 19951 1 200 . 1 1 30 30 MET CA C 13 57.113 0.10 . 1 . . . . 221 MET CA . 19951 1 201 . 1 1 30 30 MET CB C 13 32.091 0.10 . 1 . . . . 221 MET CB . 19951 1 202 . 1 1 30 30 MET N N 15 118.828 0.10 . 1 . . . . 221 MET N . 19951 1 203 . 1 1 31 31 GLY H H 1 8.247 0.01 . 1 . . . . 222 GLY H . 19951 1 204 . 1 1 31 31 GLY C C 13 174.854 0.10 . 1 . . . . 222 GLY C . 19951 1 205 . 1 1 31 31 GLY CA C 13 45.818 0.10 . 1 . . . . 222 GLY CA . 19951 1 206 . 1 1 31 31 GLY N N 15 108.369 0.10 . 1 . . . . 222 GLY N . 19951 1 207 . 1 1 32 32 SER H H 1 8.11 0.01 . 1 . . . . 223 SER H . 19951 1 208 . 1 1 32 32 SER C C 13 175.435 0.10 . 1 . . . . 223 SER C . 19951 1 209 . 1 1 32 32 SER CA C 13 59.484 0.10 . 1 . . . . 223 SER CA . 19951 1 210 . 1 1 32 32 SER CB C 13 62.83 0.10 . 1 . . . . 223 SER CB . 19951 1 211 . 1 1 32 32 SER N N 15 116.759 0.10 . 1 . . . . 223 SER N . 19951 1 212 . 1 1 33 33 ARG H H 1 8.148 0.01 . 1 . . . . 224 ARG H . 19951 1 213 . 1 1 33 33 ARG C C 13 177.528 0.10 . 1 . . . . 224 ARG C . 19951 1 214 . 1 1 33 33 ARG CA C 13 56.795 0.10 . 1 . . . . 224 ARG CA . 19951 1 215 . 1 1 33 33 ARG CB C 13 29.518 0.10 . 1 . . . . 224 ARG CB . 19951 1 216 . 1 1 33 33 ARG N N 15 121.751 0.10 . 1 . . . . 224 ARG N . 19951 1 217 . 1 1 34 34 THR H H 1 7.959 0.01 . 1 . . . . 225 THR H . 19951 1 218 . 1 1 34 34 THR C C 13 175.136 0.10 . 1 . . . . 225 THR C . 19951 1 219 . 1 1 34 34 THR CA C 13 63.539 0.10 . 1 . . . . 225 THR CA . 19951 1 220 . 1 1 34 34 THR CB C 13 68.625 0.10 . 1 . . . . 225 THR CB . 19951 1 221 . 1 1 34 34 THR N N 15 114.979 0.10 . 1 . . . . 225 THR N . 19951 1 222 . 1 1 35 35 ARG H H 1 8.107 0.01 . 1 . . . . 226 ARG H . 19951 1 223 . 1 1 35 35 ARG C C 13 176.937 0.10 . 1 . . . . 226 ARG C . 19951 1 224 . 1 1 35 35 ARG CA C 13 57.426 0.10 . 1 . . . . 226 ARG CA . 19951 1 225 . 1 1 35 35 ARG CB C 13 29.526 0.10 . 1 . . . . 226 ARG CB . 19951 1 226 . 1 1 35 35 ARG N N 15 122.515 0.10 . 1 . . . . 226 ARG N . 19951 1 227 . 1 1 36 36 ASP H H 1 8.267 0.01 . 1 . . . . 227 ASP H . 19951 1 228 . 1 1 36 36 ASP C C 13 177.535 0.10 . 1 . . . . 227 ASP C . 19951 1 229 . 1 1 36 36 ASP CA C 13 55.26 0.10 . 1 . . . . 227 ASP CA . 19951 1 230 . 1 1 36 36 ASP N N 15 120.553 0.10 . 1 . . . . 227 ASP N . 19951 1 231 . 1 1 37 37 ARG H H 1 8.068 0.01 . 1 . . . . 228 ARG H . 19951 1 232 . 1 1 37 37 ARG C C 13 177.874 0.10 . 1 . . . . 228 ARG C . 19951 1 233 . 1 1 37 37 ARG CA C 13 56.847 0.10 . 1 . . . . 228 ARG CA . 19951 1 234 . 1 1 37 37 ARG CB C 13 29.178 0.10 . 1 . . . . 228 ARG CB . 19951 1 235 . 1 1 37 37 ARG N N 15 120.521 0.10 . 1 . . . . 228 ARG N . 19951 1 236 . 1 1 38 38 LEU H H 1 8.2 0.01 . 1 . . . . 229 LEU H . 19951 1 237 . 1 1 38 38 LEU C C 13 178.469 0.10 . 1 . . . . 229 LEU C . 19951 1 238 . 1 1 38 38 LEU CA C 13 56.86 0.10 . 1 . . . . 229 LEU CA . 19951 1 239 . 1 1 38 38 LEU CB C 13 40.525 0.10 . 1 . . . . 229 LEU CB . 19951 1 240 . 1 1 38 38 LEU N N 15 120.89 0.10 . 1 . . . . 229 LEU N . 19951 1 241 . 1 1 39 39 ASP H H 1 8.174 0.01 . 1 . . . . 230 ASP H . 19951 1 242 . 1 1 39 39 ASP C C 13 178.251 0.10 . 1 . . . . 230 ASP C . 19951 1 243 . 1 1 39 39 ASP CA C 13 56.593 0.10 . 1 . . . . 230 ASP CA . 19951 1 244 . 1 1 39 39 ASP CB C 13 39.804 0.10 . 1 . . . . 230 ASP CB . 19951 1 245 . 1 1 39 39 ASP N N 15 119.723 0.10 . 1 . . . . 230 ASP N . 19951 1 246 . 1 1 40 40 GLU H H 1 7.864 0.01 . 1 . . . . 231 GLU H . 19951 1 247 . 1 1 40 40 GLU C C 13 178.739 0.10 . 1 . . . . 231 GLU C . 19951 1 248 . 1 1 40 40 GLU CA C 13 58.33 0.10 . 1 . . . . 231 GLU CA . 19951 1 249 . 1 1 40 40 GLU CB C 13 29.186 0.10 . 1 . . . . 231 GLU CB . 19951 1 250 . 1 1 40 40 GLU N N 15 120.225 0.10 . 1 . . . . 231 GLU N . 19951 1 251 . 1 1 41 41 VAL H H 1 7.916 0.01 . 1 . . . . 232 VAL H . 19951 1 252 . 1 1 41 41 VAL C C 13 177.532 0.10 . 1 . . . . 232 VAL C . 19951 1 253 . 1 1 41 41 VAL CA C 13 64.585 0.10 . 1 . . . . 232 VAL CA . 19951 1 254 . 1 1 41 41 VAL CB C 13 30.438 0.10 . 1 . . . . 232 VAL CB . 19951 1 255 . 1 1 41 41 VAL N N 15 119.524 0.10 . 1 . . . . 232 VAL N . 19951 1 256 . 1 1 42 42 LYS H H 1 8.178 0.01 . 1 . . . . 233 LYS H . 19951 1 257 . 1 1 42 42 LYS C C 13 178.907 0.10 . 1 . . . . 233 LYS C . 19951 1 258 . 1 1 42 42 LYS CA C 13 59.4 0.10 . 1 . . . . 233 LYS CA . 19951 1 259 . 1 1 42 42 LYS CB C 13 31.452 0.10 . 1 . . . . 233 LYS CB . 19951 1 260 . 1 1 42 42 LYS N N 15 121.008 0.10 . 1 . . . . 233 LYS N . 19951 1 261 . 1 1 43 43 GLU H H 1 8.026 0.01 . 1 . . . . 234 GLU H . 19951 1 262 . 1 1 43 43 GLU C C 13 178.592 0.10 . 1 . . . . 234 GLU C . 19951 1 263 . 1 1 43 43 GLU CA C 13 58.295 0.10 . 1 . . . . 234 GLU CA . 19951 1 264 . 1 1 43 43 GLU CB C 13 28.375 0.10 . 1 . . . . 234 GLU CB . 19951 1 265 . 1 1 43 43 GLU N N 15 119.88 0.10 . 1 . . . . 234 GLU N . 19951 1 266 . 1 1 44 44 GLN H H 1 8.029 0.01 . 1 . . . . 235 GLN H . 19951 1 267 . 1 1 44 44 GLN C C 13 178.727 0.10 . 1 . . . . 235 GLN C . 19951 1 268 . 1 1 44 44 GLN CA C 13 58.126 0.10 . 1 . . . . 235 GLN CA . 19951 1 269 . 1 1 44 44 GLN CB C 13 27.837 0.10 . 1 . . . . 235 GLN CB . 19951 1 270 . 1 1 44 44 GLN N N 15 120.388 0.10 . 1 . . . . 235 GLN N . 19951 1 271 . 1 1 45 45 VAL H H 1 8.349 0.01 . 1 . . . . 236 VAL H . 19951 1 272 . 1 1 45 45 VAL C C 13 177.25 0.10 . 1 . . . . 236 VAL C . 19951 1 273 . 1 1 45 45 VAL CA C 13 65.589 0.10 . 1 . . . . 236 VAL CA . 19951 1 274 . 1 1 45 45 VAL CB C 13 30.897 0.10 . 1 . . . . 236 VAL CB . 19951 1 275 . 1 1 45 45 VAL N N 15 119.564 0.10 . 1 . . . . 236 VAL N . 19951 1 276 . 1 1 46 46 ALA H H 1 7.966 0.01 . 1 . . . . 237 ALA H . 19951 1 277 . 1 1 46 46 ALA C C 13 180.516 0.10 . 1 . . . . 237 ALA C . 19951 1 278 . 1 1 46 46 ALA CA C 13 54.646 0.10 . 1 . . . . 237 ALA CA . 19951 1 279 . 1 1 46 46 ALA CB C 13 17.245 0.10 . 1 . . . . 237 ALA CB . 19951 1 280 . 1 1 46 46 ALA N N 15 122.715 0.10 . 1 . . . . 237 ALA N . 19951 1 281 . 1 1 47 47 GLU H H 1 7.974 0.01 . 1 . . . . 238 GLU H . 19951 1 282 . 1 1 47 47 GLU C C 13 178.887 0.10 . 1 . . . . 238 GLU C . 19951 1 283 . 1 1 47 47 GLU CA C 13 58.622 0.10 . 1 . . . . 238 GLU CA . 19951 1 284 . 1 1 47 47 GLU N N 15 119.67 0.10 . 1 . . . . 238 GLU N . 19951 1 285 . 1 1 48 48 VAL C C 13 177.789 0.10 . 1 . . . . 239 VAL C . 19951 1 286 . 1 1 48 48 VAL CA C 13 65.609 0.10 . 1 . . . . 239 VAL CA . 19951 1 287 . 1 1 48 48 VAL CB C 13 30.689 0.10 . 1 . . . . 239 VAL CB . 19951 1 288 . 1 1 49 49 ARG H H 1 8.408 0.01 . 1 . . . . 240 ARG H . 19951 1 289 . 1 1 49 49 ARG C C 13 177.997 0.10 . 1 . . . . 240 ARG C . 19951 1 290 . 1 1 49 49 ARG CA C 13 59.511 0.10 . 1 . . . . 240 ARG CA . 19951 1 291 . 1 1 49 49 ARG CB C 13 29.02 0.10 . 1 . . . . 240 ARG CB . 19951 1 292 . 1 1 49 49 ARG N N 15 120.23 0.10 . 1 . . . . 240 ARG N . 19951 1 293 . 1 1 50 50 ALA H H 1 7.969 0.01 . 1 . . . . 241 ALA H . 19951 1 294 . 1 1 50 50 ALA C C 13 180.715 0.10 . 1 . . . . 241 ALA C . 19951 1 295 . 1 1 50 50 ALA CA C 13 54.537 0.10 . 1 . . . . 241 ALA CA . 19951 1 296 . 1 1 50 50 ALA CB C 13 17.362 0.10 . 1 . . . . 241 ALA CB . 19951 1 297 . 1 1 50 50 ALA N N 15 120.932 0.10 . 1 . . . . 241 ALA N . 19951 1 298 . 1 1 51 51 LYS H H 1 7.922 0.01 . 1 . . . . 242 LYS H . 19951 1 299 . 1 1 51 51 LYS C C 13 179.468 0.10 . 1 . . . . 242 LYS C . 19951 1 300 . 1 1 51 51 LYS CA C 13 58.187 0.10 . 1 . . . . 242 LYS CA . 19951 1 301 . 1 1 51 51 LYS N N 15 119.511 0.10 . 1 . . . . 242 LYS N . 19951 1 302 . 1 1 52 52 LEU C C 13 179.089 0.10 . 1 . . . . 243 LEU C . 19951 1 303 . 1 1 52 52 LEU CA C 13 57.55 0.10 . 1 . . . . 243 LEU CA . 19951 1 304 . 1 1 52 52 LEU CB C 13 40.739 0.10 . 1 . . . . 243 LEU CB . 19951 1 305 . 1 1 53 53 GLU H H 1 8.318 0.01 . 1 . . . . 244 GLU H . 19951 1 306 . 1 1 53 53 GLU C C 13 179.294 0.10 . 1 . . . . 244 GLU C . 19951 1 307 . 1 1 53 53 GLU CA C 13 59.124 0.10 . 1 . . . . 244 GLU CA . 19951 1 308 . 1 1 53 53 GLU CB C 13 28.408 0.10 . 1 . . . . 244 GLU CB . 19951 1 309 . 1 1 53 53 GLU N N 15 119.537 0.10 . 1 . . . . 244 GLU N . 19951 1 310 . 1 1 54 54 GLU H H 1 7.97 0.01 . 1 . . . . 245 GLU H . 19951 1 311 . 1 1 54 54 GLU C C 13 179.27 0.10 . 1 . . . . 245 GLU C . 19951 1 312 . 1 1 54 54 GLU CA C 13 58.844 0.10 . 1 . . . . 245 GLU CA . 19951 1 313 . 1 1 54 54 GLU CB C 13 28.774 0.10 . 1 . . . . 245 GLU CB . 19951 1 314 . 1 1 54 54 GLU N N 15 120.464 0.10 . 1 . . . . 245 GLU N . 19951 1 315 . 1 1 55 55 GLN H H 1 8.077 0.01 . 1 . . . . 246 GLN H . 19951 1 316 . 1 1 55 55 GLN C C 13 178.318 0.10 . 1 . . . . 246 GLN C . 19951 1 317 . 1 1 55 55 GLN CA C 13 57.733 0.10 . 1 . . . . 246 GLN CA . 19951 1 318 . 1 1 55 55 GLN CB C 13 27.621 0.10 . 1 . . . . 246 GLN CB . 19951 1 319 . 1 1 55 55 GLN N N 15 119.015 0.10 . 1 . . . . 246 GLN N . 19951 1 320 . 1 1 56 56 ALA H H 1 8.375 0.01 . 1 . . . . 247 ALA H . 19951 1 321 . 1 1 56 56 ALA C C 13 179.537 0.10 . 1 . . . . 247 ALA C . 19951 1 322 . 1 1 56 56 ALA CA C 13 54.941 0.10 . 1 . . . . 247 ALA CA . 19951 1 323 . 1 1 56 56 ALA CB C 13 17.424 0.10 . 1 . . . . 247 ALA CB . 19951 1 324 . 1 1 56 56 ALA N N 15 122.056 0.10 . 1 . . . . 247 ALA N . 19951 1 325 . 1 1 57 57 GLN H H 1 8.018 0.01 . 1 . . . . 248 GLN H . 19951 1 326 . 1 1 57 57 GLN C C 13 178.242 0.10 . 1 . . . . 248 GLN C . 19951 1 327 . 1 1 57 57 GLN CA C 13 58.153 0.10 . 1 . . . . 248 GLN CA . 19951 1 328 . 1 1 57 57 GLN CB C 13 27.279 0.10 . 1 . . . . 248 GLN CB . 19951 1 329 . 1 1 57 57 GLN N N 15 117.415 0.10 . 1 . . . . 248 GLN N . 19951 1 330 . 1 1 58 58 GLN H H 1 7.904 0.01 . 1 . . . . 249 GLN H . 19951 1 331 . 1 1 58 58 GLN C C 13 178.889 0.10 . 1 . . . . 249 GLN C . 19951 1 332 . 1 1 58 58 GLN CA C 13 58.287 0.10 . 1 . . . . 249 GLN CA . 19951 1 333 . 1 1 58 58 GLN N N 15 118.723 0.10 . 1 . . . . 249 GLN N . 19951 1 334 . 1 1 59 59 ILE H H 1 8.034 0.01 . 1 . . . . 250 ILE H . 19951 1 335 . 1 1 59 59 ILE C C 13 178.57 0.10 . 1 . . . . 250 ILE C . 19951 1 336 . 1 1 59 59 ILE CA C 13 64.194 0.10 . 1 . . . . 250 ILE CA . 19951 1 337 . 1 1 59 59 ILE N N 15 120.011 0.10 . 1 . . . . 250 ILE N . 19951 1 338 . 1 1 61 61 LEU C C 13 180.426 0.10 . 1 . . . . 252 LEU C . 19951 1 339 . 1 1 61 61 LEU CA C 13 57.352 0.10 . 1 . . . . 252 LEU CA . 19951 1 340 . 1 1 62 62 GLN H H 1 8.066 0.01 . 1 . . . . 253 GLN H . 19951 1 341 . 1 1 62 62 GLN C C 13 178.586 0.10 . 1 . . . . 253 GLN C . 19951 1 342 . 1 1 62 62 GLN CA C 13 57.777 0.10 . 1 . . . . 253 GLN CA . 19951 1 343 . 1 1 62 62 GLN CB C 13 27.803 0.10 . 1 . . . . 253 GLN CB . 19951 1 344 . 1 1 62 62 GLN N N 15 119.829 0.10 . 1 . . . . 253 GLN N . 19951 1 345 . 1 1 63 63 ALA H H 1 8.512 0.01 . 1 . . . . 254 ALA H . 19951 1 346 . 1 1 63 63 ALA C C 13 179.808 0.10 . 1 . . . . 254 ALA C . 19951 1 347 . 1 1 63 63 ALA CA C 13 55.12 0.10 . 1 . . . . 254 ALA CA . 19951 1 348 . 1 1 63 63 ALA CB C 13 17.301 0.10 . 1 . . . . 254 ALA CB . 19951 1 349 . 1 1 63 63 ALA N N 15 123.775 0.10 . 1 . . . . 254 ALA N . 19951 1 350 . 1 1 64 64 GLU H H 1 8.423 0.01 . 1 . . . . 255 GLU H . 19951 1 351 . 1 1 64 64 GLU C C 13 179.511 0.10 . 1 . . . . 255 GLU C . 19951 1 352 . 1 1 64 64 GLU CA C 13 59.176 0.10 . 1 . . . . 255 GLU CA . 19951 1 353 . 1 1 64 64 GLU N N 15 119.011 0.10 . 1 . . . . 255 GLU N . 19951 1 354 . 1 1 65 65 ALA H H 1 8.024 0.01 . 1 . . . . 256 ALA H . 19951 1 355 . 1 1 65 65 ALA C C 13 180.409 0.10 . 1 . . . . 256 ALA C . 19951 1 356 . 1 1 65 65 ALA CA C 13 54.391 0.10 . 1 . . . . 256 ALA CA . 19951 1 357 . 1 1 65 65 ALA CB C 13 17.101 0.10 . 1 . . . . 256 ALA CB . 19951 1 358 . 1 1 65 65 ALA N N 15 123.155 0.10 . 1 . . . . 256 ALA N . 19951 1 359 . 1 1 66 66 PHE H H 1 8.267 0.01 . 1 . . . . 257 PHE H . 19951 1 360 . 1 1 66 66 PHE C C 13 177.222 0.10 . 1 . . . . 257 PHE C . 19951 1 361 . 1 1 66 66 PHE CA C 13 60.507 0.10 . 1 . . . . 257 PHE CA . 19951 1 362 . 1 1 66 66 PHE CB C 13 38.413 0.10 . 1 . . . . 257 PHE CB . 19951 1 363 . 1 1 66 66 PHE N N 15 120.133 0.10 . 1 . . . . 257 PHE N . 19951 1 364 . 1 1 67 67 GLN H H 1 8.334 0.01 . 1 . . . . 258 GLN H . 19951 1 365 . 1 1 67 67 GLN C C 13 177.857 0.10 . 1 . . . . 258 GLN C . 19951 1 366 . 1 1 67 67 GLN CA C 13 59.294 0.10 . 1 . . . . 258 GLN CA . 19951 1 367 . 1 1 67 67 GLN N N 15 118.761 0.10 . 1 . . . . 258 GLN N . 19951 1 368 . 1 1 68 68 ALA H H 1 7.965 0.01 . 1 . . . . 259 ALA H . 19951 1 369 . 1 1 68 68 ALA C C 13 180.699 0.10 . 1 . . . . 259 ALA C . 19951 1 370 . 1 1 68 68 ALA CA C 13 54.564 0.10 . 1 . . . . 259 ALA CA . 19951 1 371 . 1 1 68 68 ALA N N 15 121.029 0.10 . 1 . . . . 259 ALA N . 19951 1 372 . 1 1 70 70 LEU C C 13 178.75 0.10 . 1 . . . . 261 LEU C . 19951 1 373 . 1 1 70 70 LEU CA C 13 57.618 0.10 . 1 . . . . 261 LEU CA . 19951 1 374 . 1 1 70 70 LEU CB C 13 40.742 0.10 . 1 . . . . 261 LEU CB . 19951 1 375 . 1 1 71 71 LYS H H 1 8.119 0.01 . 1 . . . . 262 LYS H . 19951 1 376 . 1 1 71 71 LYS C C 13 178.507 0.10 . 1 . . . . 262 LYS C . 19951 1 377 . 1 1 71 71 LYS CA C 13 59.837 0.10 . 1 . . . . 262 LYS CA . 19951 1 378 . 1 1 71 71 LYS CB C 13 31.627 0.10 . 1 . . . . 262 LYS CB . 19951 1 379 . 1 1 71 71 LYS N N 15 118.851 0.10 . 1 . . . . 262 LYS N . 19951 1 380 . 1 1 72 72 SER H H 1 7.856 0.01 . 1 . . . . 263 SER H . 19951 1 381 . 1 1 72 72 SER C C 13 175.754 0.10 . 1 . . . . 263 SER C . 19951 1 382 . 1 1 72 72 SER CA C 13 60.734 0.10 . 1 . . . . 263 SER CA . 19951 1 383 . 1 1 72 72 SER CB C 13 62.582 0.10 . 1 . . . . 263 SER CB . 19951 1 384 . 1 1 72 72 SER N N 15 113.133 0.10 . 1 . . . . 263 SER N . 19951 1 385 . 1 1 73 73 TRP H H 1 7.767 0.01 . 1 . . . . 264 TRP H . 19951 1 386 . 1 1 73 73 TRP C C 13 176.957 0.10 . 1 . . . . 264 TRP C . 19951 1 387 . 1 1 73 73 TRP CA C 13 58.865 0.10 . 1 . . . . 264 TRP CA . 19951 1 388 . 1 1 73 73 TRP CB C 13 28.627 0.10 . 1 . . . . 264 TRP CB . 19951 1 389 . 1 1 73 73 TRP N N 15 121.477 0.10 . 1 . . . . 264 TRP N . 19951 1 390 . 1 1 74 74 PHE H H 1 8.172 0.01 . 1 . . . . 265 PHE H . 19951 1 391 . 1 1 74 74 PHE C C 13 176.825 0.10 . 1 . . . . 265 PHE C . 19951 1 392 . 1 1 74 74 PHE CA C 13 59.77 0.10 . 1 . . . . 265 PHE CA . 19951 1 393 . 1 1 74 74 PHE CB C 13 40.033 0.10 . 1 . . . . 265 PHE CB . 19951 1 394 . 1 1 74 74 PHE N N 15 116.134 0.10 . 1 . . . . 265 PHE N . 19951 1 395 . 1 1 75 75 GLU H H 1 8.204 0.01 . 1 . . . . 266 GLU H . 19951 1 396 . 1 1 75 75 GLU C C 13 175.807 0.10 . 1 . . . . 266 GLU C . 19951 1 397 . 1 1 75 75 GLU CA C 13 61.17 0.10 . 1 . . . . 266 GLU CA . 19951 1 398 . 1 1 75 75 GLU N N 15 119.537 0.10 . 1 . . . . 266 GLU N . 19951 1 399 . 1 1 77 77 LEU C C 13 178.921 0.10 . 1 . . . . 268 LEU C . 19951 1 400 . 1 1 77 77 LEU CA C 13 56.982 0.10 . 1 . . . . 268 LEU CA . 19951 1 401 . 1 1 77 77 LEU CB C 13 40.784 0.10 . 1 . . . . 268 LEU CB . 19951 1 402 . 1 1 78 78 VAL H H 1 7.809 0.01 . 1 . . . . 269 VAL H . 19951 1 403 . 1 1 78 78 VAL C C 13 178.01 0.10 . 1 . . . . 269 VAL C . 19951 1 404 . 1 1 78 78 VAL CA C 13 65.721 0.10 . 1 . . . . 269 VAL CA . 19951 1 405 . 1 1 78 78 VAL CB C 13 30.668 0.10 . 1 . . . . 269 VAL CB . 19951 1 406 . 1 1 78 78 VAL N N 15 119.259 0.10 . 1 . . . . 269 VAL N . 19951 1 407 . 1 1 79 79 GLU H H 1 8.014 0.01 . 1 . . . . 270 GLU H . 19951 1 408 . 1 1 79 79 GLU C C 13 179.161 0.10 . 1 . . . . 270 GLU C . 19951 1 409 . 1 1 79 79 GLU CA C 13 59.013 0.10 . 1 . . . . 270 GLU CA . 19951 1 410 . 1 1 79 79 GLU CB C 13 28.614 0.10 . 1 . . . . 270 GLU CB . 19951 1 411 . 1 1 79 79 GLU N N 15 120.282 0.10 . 1 . . . . 270 GLU N . 19951 1 412 . 1 1 80 80 ASP H H 1 7.941 0.01 . 1 . . . . 271 ASP H . 19951 1 413 . 1 1 80 80 ASP C C 13 178.796 0.10 . 1 . . . . 271 ASP C . 19951 1 414 . 1 1 80 80 ASP CA C 13 56.965 0.10 . 1 . . . . 271 ASP CA . 19951 1 415 . 1 1 80 80 ASP CB C 13 40.62 0.10 . 1 . . . . 271 ASP CB . 19951 1 416 . 1 1 80 80 ASP N N 15 119.749 0.10 . 1 . . . . 271 ASP N . 19951 1 417 . 1 1 81 81 MET H H 1 8.225 0.01 . 1 . . . . 272 MET H . 19951 1 418 . 1 1 81 81 MET C C 13 178.328 0.10 . 1 . . . . 272 MET C . 19951 1 419 . 1 1 81 81 MET CA C 13 58.815 0.10 . 1 . . . . 272 MET CA . 19951 1 420 . 1 1 81 81 MET CB C 13 32.017 0.10 . 1 . . . . 272 MET CB . 19951 1 421 . 1 1 81 81 MET N N 15 119.484 0.10 . 1 . . . . 272 MET N . 19951 1 422 . 1 1 82 82 GLN H H 1 8.376 0.01 . 1 . . . . 273 GLN H . 19951 1 423 . 1 1 82 82 GLN C C 13 178.911 0.10 . 1 . . . . 273 GLN C . 19951 1 424 . 1 1 82 82 GLN CA C 13 59.089 0.10 . 1 . . . . 273 GLN CA . 19951 1 425 . 1 1 82 82 GLN CB C 13 27.905 0.10 . 1 . . . . 273 GLN CB . 19951 1 426 . 1 1 82 82 GLN N N 15 118.323 0.10 . 1 . . . . 273 GLN N . 19951 1 427 . 1 1 83 83 ARG H H 1 7.996 0.01 . 1 . . . . 274 ARG H . 19951 1 428 . 1 1 83 83 ARG C C 13 179.692 0.10 . 1 . . . . 274 ARG C . 19951 1 429 . 1 1 83 83 ARG CA C 13 58.933 0.10 . 1 . . . . 274 ARG CA . 19951 1 430 . 1 1 83 83 ARG CB C 13 29.121 0.10 . 1 . . . . 274 ARG CB . 19951 1 431 . 1 1 83 83 ARG N N 15 120.394 0.10 . 1 . . . . 274 ARG N . 19951 1 432 . 1 1 84 84 GLN H H 1 8.308 0.01 . 1 . . . . 275 GLN H . 19951 1 433 . 1 1 84 84 GLN C C 13 178.946 0.10 . 1 . . . . 275 GLN C . 19951 1 434 . 1 1 84 84 GLN CA C 13 58.241 0.10 . 1 . . . . 275 GLN CA . 19951 1 435 . 1 1 84 84 GLN CB C 13 27.988 0.10 . 1 . . . . 275 GLN CB . 19951 1 436 . 1 1 84 84 GLN N N 15 119.696 0.10 . 1 . . . . 275 GLN N . 19951 1 437 . 1 1 85 85 TRP H H 1 8.516 0.01 . 1 . . . . 276 TRP H . 19951 1 438 . 1 1 85 85 TRP C C 13 176.718 0.10 . 1 . . . . 276 TRP C . 19951 1 439 . 1 1 85 85 TRP CA C 13 59.321 0.10 . 1 . . . . 276 TRP CA . 19951 1 440 . 1 1 85 85 TRP CB C 13 28.931 0.10 . 1 . . . . 276 TRP CB . 19951 1 441 . 1 1 85 85 TRP N N 15 121.292 0.10 . 1 . . . . 276 TRP N . 19951 1 442 . 1 1 86 86 ALA H H 1 8.158 0.01 . 1 . . . . 277 ALA H . 19951 1 443 . 1 1 86 86 ALA C C 13 180.77 0.10 . 1 . . . . 277 ALA C . 19951 1 444 . 1 1 86 86 ALA CA C 13 54.679 0.10 . 1 . . . . 277 ALA CA . 19951 1 445 . 1 1 86 86 ALA CB C 13 17.171 0.10 . 1 . . . . 277 ALA CB . 19951 1 446 . 1 1 86 86 ALA N N 15 120.213 0.10 . 1 . . . . 277 ALA N . 19951 1 447 . 1 1 87 87 GLY H H 1 7.962 0.01 . 1 . . . . 278 GLY H . 19951 1 448 . 1 1 87 87 GLY C C 13 175.933 0.10 . 1 . . . . 278 GLY C . 19951 1 449 . 1 1 87 87 GLY CA C 13 46.145 0.10 . 1 . . . . 278 GLY CA . 19951 1 450 . 1 1 87 87 GLY N N 15 105.092 0.10 . 1 . . . . 278 GLY N . 19951 1 451 . 1 1 88 88 LEU H H 1 7.735 0.01 . 1 . . . . 279 LEU H . 19951 1 452 . 1 1 88 88 LEU C C 13 178.351 0.10 . 1 . . . . 279 LEU C . 19951 1 453 . 1 1 88 88 LEU CA C 13 57.378 0.10 . 1 . . . . 279 LEU CA . 19951 1 454 . 1 1 88 88 LEU CB C 13 40.556 0.10 . 1 . . . . 279 LEU CB . 19951 1 455 . 1 1 88 88 LEU N N 15 124.351 0.10 . 1 . . . . 279 LEU N . 19951 1 456 . 1 1 89 89 VAL H H 1 7.988 0.01 . 1 . . . . 280 VAL H . 19951 1 457 . 1 1 89 89 VAL C C 13 178.006 0.10 . 1 . . . . 280 VAL C . 19951 1 458 . 1 1 89 89 VAL CA C 13 66.117 0.10 . 1 . . . . 280 VAL CA . 19951 1 459 . 1 1 89 89 VAL CB C 13 30.554 0.10 . 1 . . . . 280 VAL CB . 19951 1 460 . 1 1 89 89 VAL N N 15 118.903 0.10 . 1 . . . . 280 VAL N . 19951 1 461 . 1 1 90 90 GLU H H 1 7.784 0.01 . 1 . . . . 281 GLU H . 19951 1 462 . 1 1 90 90 GLU C C 13 179.14 0.10 . 1 . . . . 281 GLU C . 19951 1 463 . 1 1 90 90 GLU CA C 13 58.792 0.10 . 1 . . . . 281 GLU CA . 19951 1 464 . 1 1 90 90 GLU CB C 13 28.778 0.10 . 1 . . . . 281 GLU CB . 19951 1 465 . 1 1 90 90 GLU N N 15 118.86 0.10 . 1 . . . . 281 GLU N . 19951 1 466 . 1 1 91 91 LYS H H 1 7.668 0.01 . 1 . . . . 282 LYS H . 19951 1 467 . 1 1 91 91 LYS C C 13 179.307 0.10 . 1 . . . . 282 LYS C . 19951 1 468 . 1 1 91 91 LYS CA C 13 58.52 0.10 . 1 . . . . 282 LYS CA . 19951 1 469 . 1 1 91 91 LYS CB C 13 31.558 0.10 . 1 . . . . 282 LYS CB . 19951 1 470 . 1 1 91 91 LYS N N 15 117.746 0.10 . 1 . . . . 282 LYS N . 19951 1 471 . 1 1 92 92 VAL H H 1 8.165 0.01 . 1 . . . . 283 VAL H . 19951 1 472 . 1 1 92 92 VAL C C 13 177.504 0.10 . 1 . . . . 283 VAL C . 19951 1 473 . 1 1 92 92 VAL CA C 13 65.534 0.10 . 1 . . . . 283 VAL CA . 19951 1 474 . 1 1 92 92 VAL CB C 13 30.647 0.10 . 1 . . . . 283 VAL CB . 19951 1 475 . 1 1 92 92 VAL N N 15 120.082 0.10 . 1 . . . . 283 VAL N . 19951 1 476 . 1 1 93 93 GLN H H 1 8.353 0.01 . 1 . . . . 284 GLN H . 19951 1 477 . 1 1 93 93 GLN C C 13 178.275 0.10 . 1 . . . . 284 GLN C . 19951 1 478 . 1 1 93 93 GLN CA C 13 58.197 0.10 . 1 . . . . 284 GLN CA . 19951 1 479 . 1 1 93 93 GLN CB C 13 27.712 0.10 . 1 . . . . 284 GLN CB . 19951 1 480 . 1 1 93 93 GLN N N 15 118.885 0.10 . 1 . . . . 284 GLN N . 19951 1 481 . 1 1 94 94 ALA H H 1 7.83 0.01 . 1 . . . . 285 ALA H . 19951 1 482 . 1 1 94 94 ALA C C 13 178.96 0.10 . 1 . . . . 285 ALA C . 19951 1 483 . 1 1 94 94 ALA CA C 13 53.453 0.10 . 1 . . . . 285 ALA CA . 19951 1 484 . 1 1 94 94 ALA CB C 13 17.534 0.10 . 1 . . . . 285 ALA CB . 19951 1 485 . 1 1 94 94 ALA N N 15 121.21 0.10 . 1 . . . . 285 ALA N . 19951 1 486 . 1 1 95 95 ALA H H 1 7.714 0.01 . 1 . . . . 286 ALA H . 19951 1 487 . 1 1 95 95 ALA HA H 1 4.231 0.02 . 1 . . . . 286 ALA HA . 19951 1 488 . 1 1 95 95 ALA HB1 H 1 1.483 0.02 . 1 . . . . 286 ALA HB . 19951 1 489 . 1 1 95 95 ALA HB2 H 1 1.483 0.02 . 1 . . . . 286 ALA HB . 19951 1 490 . 1 1 95 95 ALA HB3 H 1 1.483 0.02 . 1 . . . . 286 ALA HB . 19951 1 491 . 1 1 95 95 ALA C C 13 178.892 0.10 . 1 . . . . 286 ALA C . 19951 1 492 . 1 1 95 95 ALA CA C 13 53.371 0.10 . 1 . . . . 286 ALA CA . 19951 1 493 . 1 1 95 95 ALA CB C 13 18.318 0.10 . 1 . . . . 286 ALA CB . 19951 1 494 . 1 1 95 95 ALA N N 15 120.917 0.10 . 1 . . . . 286 ALA N . 19951 1 495 . 1 1 96 96 VAL H H 1 7.843 0.01 . 1 . . . . 287 VAL H . 19951 1 496 . 1 1 96 96 VAL HA H 1 4.120 0.10 . 1 . . . . 287 VAL HA . 19951 1 497 . 1 1 96 96 VAL HB H 1 2.222 0.10 . 1 . . . . 287 VAL HB . 19951 1 498 . 1 1 96 96 VAL HG11 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 499 . 1 1 96 96 VAL HG12 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 500 . 1 1 96 96 VAL HG13 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 501 . 1 1 96 96 VAL HG21 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 502 . 1 1 96 96 VAL HG22 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 503 . 1 1 96 96 VAL HG23 H 1 0.950 0.02 . 2 . . . . 287 VAL HG . 19951 1 504 . 1 1 96 96 VAL C C 13 177.007 0.10 . 1 . . . . 287 VAL C . 19951 1 505 . 1 1 96 96 VAL CA C 13 62.536 0.10 . 1 . . . . 287 VAL CA . 19951 1 506 . 1 1 96 96 VAL CB C 13 31.464 0.10 . 1 . . . . 287 VAL CB . 19951 1 507 . 1 1 96 96 VAL CG1 C 13 20.042 0.10 . 2 . . . . 287 VAL CG1 . 19951 1 508 . 1 1 96 96 VAL CG2 C 13 20.042 0.10 . 2 . . . . 287 VAL CG2 . 19951 1 509 . 1 1 96 96 VAL N N 15 114.508 0.10 . 1 . . . . 287 VAL N . 19951 1 510 . 1 1 97 97 GLY H H 1 7.956 0.01 . 1 . . . . 288 GLY H . 19951 1 511 . 1 1 97 97 GLY HA2 H 1 4.035 0.10 . 1 . . . . 288 GLY HA . 19951 1 512 . 1 1 97 97 GLY HA3 H 1 4.035 0.10 . 1 . . . . 288 GLY HA . 19951 1 513 . 1 1 97 97 GLY C C 13 174.545 0.10 . 1 . . . . 288 GLY C . 19951 1 514 . 1 1 97 97 GLY CA C 13 45.183 0.10 . 1 . . . . 288 GLY CA . 19951 1 515 . 1 1 97 97 GLY N N 15 109.662 0.10 . 1 . . . . 288 GLY N . 19951 1 516 . 1 1 98 98 THR H H 1 7.917 0.01 . 1 . . . . 289 THR H . 19951 1 517 . 1 1 98 98 THR HA H 1 4.274 0.02 . 1 . . . . 289 THR HA . 19951 1 518 . 1 1 98 98 THR HB H 1 4.274 0.02 . 1 . . . . 289 THR HB . 19951 1 519 . 1 1 98 98 THR HG21 H 1 1.203 0.10 . 1 . . . . 289 THR HG . 19951 1 520 . 1 1 98 98 THR HG22 H 1 1.203 0.10 . 1 . . . . 289 THR HG . 19951 1 521 . 1 1 98 98 THR HG23 H 1 1.203 0.10 . 1 . . . . 289 THR HG . 19951 1 522 . 1 1 98 98 THR C C 13 174.82 0.10 . 1 . . . . 289 THR C . 19951 1 523 . 1 1 98 98 THR CA C 13 61.57 0.10 . 1 . . . . 289 THR CA . 19951 1 524 . 1 1 98 98 THR CB C 13 69.211 0.10 . 1 . . . . 289 THR CB . 19951 1 525 . 1 1 98 98 THR CG2 C 13 21.400 0.10 . 1 . . . . 289 THR CG . 19951 1 526 . 1 1 98 98 THR N N 15 113.447 0.10 . 1 . . . . 289 THR N . 19951 1 527 . 1 1 99 99 SER H H 1 8.166 0.01 . 1 . . . . 290 SER H . 19951 1 528 . 1 1 99 99 SER HA H 1 4.444 0.10 . 1 . . . . 290 SER HA . 19951 1 529 . 1 1 99 99 SER HB2 H 1 3.846 0.02 . 2 . . . . 290 SER HB . 19951 1 530 . 1 1 99 99 SER HB3 H 1 3.846 0.02 . 2 . . . . 290 SER HB . 19951 1 531 . 1 1 99 99 SER C C 13 174.023 0.10 . 1 . . . . 290 SER C . 19951 1 532 . 1 1 99 99 SER CA C 13 58.055 0.10 . 1 . . . . 290 SER CA . 19951 1 533 . 1 1 99 99 SER CB C 13 63.241 0.10 . 1 . . . . 290 SER CB . 19951 1 534 . 1 1 99 99 SER N N 15 118.123 0.10 . 1 . . . . 290 SER N . 19951 1 535 . 1 1 100 100 ALA H H 1 8.136 0.01 . 1 . . . . 291 ALA H . 19951 1 536 . 1 1 100 100 ALA HA H 1 4.333 0.02 . 1 . . . . 291 ALA HA . 19951 1 537 . 1 1 100 100 ALA HB1 H 1 1.349 0.02 . 1 . . . . 291 ALA HB . 19951 1 538 . 1 1 100 100 ALA HB2 H 1 1.349 0.02 . 1 . . . . 291 ALA HB . 19951 1 539 . 1 1 100 100 ALA HB3 H 1 1.349 0.02 . 1 . . . . 291 ALA HB . 19951 1 540 . 1 1 100 100 ALA C C 13 176.874 0.10 . 1 . . . . 291 ALA C . 19951 1 541 . 1 1 100 100 ALA CA C 13 51.705 0.10 . 1 . . . . 291 ALA CA . 19951 1 542 . 1 1 100 100 ALA CB C 13 18.595 0.10 . 1 . . . . 291 ALA CB . 19951 1 543 . 1 1 100 100 ALA N N 15 125.95 0.10 . 1 . . . . 291 ALA N . 19951 1 544 . 1 1 101 101 ALA H H 1 8.048 0.01 . 1 . . . . 292 ALA H . 19951 1 545 . 1 1 101 101 ALA HA H 1 4.555 0.02 . 1 . . . . 292 ALA HA . 19951 1 546 . 1 1 101 101 ALA HB1 H 1 1.335 0.02 . 1 . . . . 292 ALA HB . 19951 1 547 . 1 1 101 101 ALA HB2 H 1 1.335 0.02 . 1 . . . . 292 ALA HB . 19951 1 548 . 1 1 101 101 ALA HB3 H 1 1.335 0.02 . 1 . . . . 292 ALA HB . 19951 1 549 . 1 1 101 101 ALA C C 13 175.462 0.10 . 1 . . . . 292 ALA C . 19951 1 550 . 1 1 101 101 ALA CA C 13 49.937 0.10 . 1 . . . . 292 ALA CA . 19951 1 551 . 1 1 101 101 ALA N N 15 124.838 0.10 . 1 . . . . 292 ALA N . 19951 1 552 . 1 1 102 102 PRO HA H 1 4.444 0.10 . 1 . . . . 293 PRO HA . 19951 1 553 . 1 1 102 102 PRO HB2 H 1 2.227 0.02 . 2 . . . . 293 PRO HB . 19951 1 554 . 1 1 102 102 PRO HB3 H 1 2.227 0.02 . 2 . . . . 293 PRO HB . 19951 1 555 . 1 1 102 102 PRO HG2 H 1 1.919 0.02 . 2 . . . . 293 PRO HG . 19951 1 556 . 1 1 102 102 PRO HG3 H 1 1.919 0.02 . 2 . . . . 293 PRO HG . 19951 1 557 . 1 1 102 102 PRO HD2 H 1 3.700 0.02 . 2 . . . . 293 PRO HD . 19951 1 558 . 1 1 102 102 PRO HD3 H 1 3.700 0.02 . 2 . . . . 293 PRO HD . 19951 1 559 . 1 1 102 102 PRO C C 13 176.748 0.10 . 1 . . . . 293 PRO C . 19951 1 560 . 1 1 102 102 PRO CA C 13 62.472 0.10 . 1 . . . . 293 PRO CA . 19951 1 561 . 1 1 102 102 PRO CB C 13 30.944 0.10 . 1 . . . . 293 PRO CB . 19951 1 562 . 1 1 102 102 PRO CG C 13 26.512 0.10 . 1 . . . . 293 PRO CG . 19951 1 563 . 1 1 102 102 PRO CD C 13 49.828 0.10 . 1 . . . . 293 PRO CD . 19951 1 564 . 1 1 103 103 VAL H H 1 8.1 0.01 . 1 . . . . 294 VAL H . 19951 1 565 . 1 1 103 103 VAL HA H 1 4.232 0.01 . 1 . . . . 294 VAL HA . 19951 1 566 . 1 1 103 103 VAL HB H 1 2.098 0.01 . 1 . . . . 294 VAL HB . 19951 1 567 . 1 1 103 103 VAL C C 13 176.886 0.10 . 1 . . . . 294 VAL C . 19951 1 568 . 1 1 103 103 VAL CA C 13 59.318 0.10 . 1 . . . . 294 VAL CA . 19951 1 569 . 1 1 103 103 VAL N N 15 121.73 0.10 . 1 . . . . 294 VAL N . 19951 1 570 . 1 1 104 104 PRO HA H 1 4.419 0.10 . 1 . . . . 295 PRO HA . 19951 1 571 . 1 1 104 104 PRO HB2 H 1 2.305 0.02 . 2 . . . . 295 PRO HB . 19951 1 572 . 1 1 104 104 PRO HB3 H 1 2.305 0.02 . 2 . . . . 295 PRO HB . 19951 1 573 . 1 1 104 104 PRO HG2 H 1 1.968 0.02 . 2 . . . . 295 PRO HG . 19951 1 574 . 1 1 104 104 PRO HG3 H 1 1.968 0.02 . 2 . . . . 295 PRO HG . 19951 1 575 . 1 1 104 104 PRO HD2 H 1 3.747 0.02 . 2 . . . . 295 PRO HD . 19951 1 576 . 1 1 104 104 PRO HD3 H 1 3.747 0.02 . 2 . . . . 295 PRO HD . 19951 1 577 . 1 1 104 104 PRO C C 13 177.006 0.10 . 1 . . . . 295 PRO C . 19951 1 578 . 1 1 104 104 PRO CA C 13 62.968 0.10 . 1 . . . . 295 PRO CA . 19951 1 579 . 1 1 104 104 PRO CB C 13 31.287 0.10 . 1 . . . . 295 PRO CB . 19951 1 580 . 1 1 104 104 PRO CG C 13 26.446 0.10 . 1 . . . . 295 PRO CG . 19951 1 581 . 1 1 104 104 PRO CD C 13 50.289 0.10 . 1 . . . . 295 PRO CD . 19951 1 582 . 1 1 105 105 SER H H 1 8.255 0.01 . 1 . . . . 296 SER H . 19951 1 583 . 1 1 105 105 SER HA H 1 4.420 0.10 . 1 . . . . 296 SER HA . 19951 1 584 . 1 1 105 105 SER HB2 H 1 3.843 0.02 . 2 . . . . 296 SER HB . 19951 1 585 . 1 1 105 105 SER HB3 H 1 3.843 0.02 . 2 . . . . 296 SER HB . 19951 1 586 . 1 1 105 105 SER C C 13 174.32 0.10 . 1 . . . . 296 SER C . 19951 1 587 . 1 1 105 105 SER CA C 13 57.839 0.10 . 1 . . . . 296 SER CA . 19951 1 588 . 1 1 105 105 SER CB C 13 63.32 0.10 . 1 . . . . 296 SER CB . 19951 1 589 . 1 1 105 105 SER N N 15 116.06 0.10 . 1 . . . . 296 SER N . 19951 1 590 . 1 1 106 106 ASP H H 1 8.242 0.01 . 1 . . . . 297 ASP H . 19951 1 591 . 1 1 106 106 ASP HA H 1 4.622 0.10 . 1 . . . . 297 ASP HA . 19951 1 592 . 1 1 106 106 ASP HB2 H 1 2.637 0.02 . 2 . . . . 297 ASP HB . 19951 1 593 . 1 1 106 106 ASP HB3 H 1 2.637 0.02 . 2 . . . . 297 ASP HB . 19951 1 594 . 1 1 106 106 ASP C C 13 175.752 0.10 . 1 . . . . 297 ASP C . 19951 1 595 . 1 1 106 106 ASP CA C 13 53.839 0.10 . 1 . . . . 297 ASP CA . 19951 1 596 . 1 1 106 106 ASP CB C 13 40.528 0.10 . 1 . . . . 297 ASP CB . 19951 1 597 . 1 1 106 106 ASP N N 15 122.335 0.10 . 1 . . . . 297 ASP N . 19951 1 598 . 1 1 107 107 ASN H H 1 8.193 0.01 . 1 . . . . 298 ASN H . 19951 1 599 . 1 1 107 107 ASN HA H 1 4.668 0.10 . 1 . . . . 298 ASN HA . 19951 1 600 . 1 1 107 107 ASN HB2 H 1 2.726 0.02 . 2 . . . . 298 ASN HB . 19951 1 601 . 1 1 107 107 ASN HB3 H 1 2.726 0.02 . 2 . . . . 298 ASN HB . 19951 1 602 . 1 1 107 107 ASN C C 13 174.181 0.10 . 1 . . . . 298 ASN C . 19951 1 603 . 1 1 107 107 ASN CA C 13 53.02 0.10 . 1 . . . . 298 ASN CA . 19951 1 604 . 1 1 107 107 ASN CB C 13 38.232 0.10 . 1 . . . . 298 ASN CB . 19951 1 605 . 1 1 107 107 ASN N N 15 119.286 0.10 . 1 . . . . 298 ASN N . 19951 1 606 . 1 1 108 108 HIS H H 1 7.898 0.01 . 1 . . . . 299 HIS H . 19951 1 607 . 1 1 108 108 HIS HA H 1 4.433 0.01 . 1 . . . . 299 HIS HA . 19951 1 608 . 1 1 108 108 HIS HB2 H 1 3.191 0.01 . 2 . . . . 299 HIS HB . 19951 1 609 . 1 1 108 108 HIS HB3 H 1 3.191 0.01 . 2 . . . . 299 HIS HB . 19951 1 610 . 1 1 108 108 HIS C C 13 178.775 0.10 . 1 . . . . 299 HIS C . 19951 1 611 . 1 1 108 108 HIS CA C 13 56.814 0.10 . 1 . . . . 299 HIS CA . 19951 1 612 . 1 1 108 108 HIS N N 15 124.09 0.10 . 1 . . . . 299 HIS N . 19951 1 stop_ save_